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 2oxb_1_A DATA FIRST_RESID 5 DATA SEQUENCE NQPYRTGFHF QPPKNWMNDP NGPMIYKGIY HLFYQWNPKG AVWGNIVWAH DATA SEQUENCE STSTDLINWD PHPPAIFPSA PFDINGCWSG SATILPNGKP VILYTGIDPK DATA SEQUENCE NQQVQNIAEP KNLSDPYLRE WKKSPLNPLM APDAVNGINA SSFRDPTTAW DATA SEQUENCE LGQDKKWRVI IGSKIHRRGL AITYTSKDFL KWEKSPEPLH YDDGSGMWQC 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 0.000 175.498 175.510 -0.020 0.000 1.280 5 N CA 0.000 53.044 53.050 -0.010 0.000 0.885 5 N CB 0.000 38.494 38.487 0.012 0.000 1.341 6 Q N 0.813 120.600 119.800 -0.021 0.000 2.406 6 Q HA 0.451 4.791 4.340 0.000 0.000 0.244 6 Q C -2.786 173.171 176.000 -0.070 0.000 0.884 6 Q CA -1.209 54.579 55.803 -0.025 0.000 0.813 6 Q CB 2.161 30.991 28.738 0.154 0.000 1.368 6 Q HN -0.020 nan 8.270 nan 0.000 0.439 7 P HA 0.112 nan 4.420 nan 0.000 0.253 7 P C -0.475 176.842 177.300 0.028 0.000 1.459 7 P CA 0.162 63.157 63.100 -0.174 0.000 0.908 7 P CB 0.035 31.637 31.700 -0.164 0.000 1.470 8 Y N -0.099 120.303 120.300 0.170 0.000 2.467 8 Y HA 0.287 4.837 4.550 0.000 0.000 0.250 8 Y C 1.357 177.384 175.900 0.212 0.000 1.155 8 Y CA -1.094 57.188 58.100 0.303 0.000 1.249 8 Y CB 0.023 38.813 38.460 0.550 0.000 1.146 8 Y HN -0.108 nan 8.280 nan 0.000 0.524 9 R N 0.637 121.196 120.500 0.099 0.000 2.582 9 R HA 0.296 4.636 4.340 0.000 0.000 0.271 9 R C 0.633 176.808 176.300 -0.209 0.000 1.078 9 R CA 0.045 55.957 56.100 -0.314 0.000 1.127 9 R CB 0.467 30.520 30.300 -0.413 0.000 1.038 9 R HN 0.111 nan 8.270 nan 0.000 0.500 10 T N -1.770 112.651 114.554 -0.220 0.000 2.909 10 T HA 0.270 4.620 4.350 0.000 0.000 0.289 10 T C 1.128 175.769 174.700 -0.099 0.000 1.005 10 T CA -0.515 61.540 62.100 -0.075 0.000 1.084 10 T CB 1.752 70.594 68.868 -0.044 0.000 0.975 10 T HN 0.640 nan 8.240 nan 0.000 0.509 11 G N 0.516 109.281 108.800 -0.059 0.000 2.608 11 G HA2 0.173 4.134 3.960 0.000 0.000 0.210 11 G HA3 0.173 4.134 3.960 0.000 0.000 0.210 11 G C 0.603 175.526 174.900 0.038 0.000 1.139 11 G CA -0.092 45.014 45.100 0.010 0.000 0.812 11 G HN 0.856 nan 8.290 nan 0.000 0.529 12 F N -1.144 118.774 119.950 -0.053 0.000 2.724 12 F HA 0.573 5.100 4.527 0.000 0.000 0.310 12 F C 1.031 176.741 175.800 -0.149 0.000 1.107 12 F CA -1.320 56.616 58.000 -0.106 0.000 1.218 12 F CB -0.282 38.621 39.000 -0.162 0.000 1.042 12 F HN -0.082 nan 8.300 nan 0.000 0.540 13 H N 0.861 119.871 119.070 -0.101 0.000 3.352 13 H HA 0.463 5.019 4.556 0.000 0.000 0.258 13 H C -0.824 174.604 175.328 0.167 0.000 1.429 13 H CA 0.655 56.711 56.048 0.014 0.000 1.923 13 H CB 0.071 29.744 29.762 -0.147 0.000 1.517 13 H HN 0.185 nan 8.280 nan 0.000 0.639 14 F N 0.268 120.244 119.950 0.043 0.000 2.704 14 F HA 0.285 4.812 4.527 0.000 0.000 0.312 14 F C -1.864 173.817 175.800 -0.198 0.000 1.108 14 F CA -0.509 57.419 58.000 -0.120 0.000 1.005 14 F CB 0.889 39.729 39.000 -0.266 0.000 1.277 14 F HN 0.582 nan 8.300 nan 0.000 0.445 15 Q N 3.705 122.636 119.800 -1.447 0.000 2.848 15 Q HA 0.546 4.886 4.340 0.000 0.000 0.288 15 Q C -3.355 172.048 176.000 -0.996 0.000 0.907 15 Q CA -2.118 52.987 55.803 -1.164 0.000 0.792 15 Q CB 2.237 30.604 28.738 -0.618 0.000 1.534 15 Q HN 0.316 nan 8.270 nan 0.000 0.419 16 P HA 0.178 nan 4.420 nan 0.000 0.274 16 P C -1.948 175.244 177.300 -0.180 0.000 1.231 16 P CA -1.131 61.792 63.100 -0.295 0.000 0.790 16 P CB 0.372 32.070 31.700 -0.005 0.000 0.951 17 P HA -0.041 nan 4.420 nan 0.000 0.237 17 P C -0.102 177.228 177.300 0.051 0.000 1.178 17 P CA 1.339 64.409 63.100 -0.051 0.000 0.766 17 P CB 0.629 32.317 31.700 -0.019 0.000 0.876 18 K N -0.314 120.182 120.400 0.159 0.000 2.622 18 K HA 0.239 4.559 4.320 0.000 0.000 0.273 18 K C -1.209 175.635 176.600 0.407 0.000 0.957 18 K CA -0.572 55.880 56.287 0.275 0.000 0.861 18 K CB 1.035 33.678 32.500 0.237 0.000 1.405 18 K HN -0.227 nan 8.250 nan 0.000 0.406 19 N N 0.975 119.897 118.700 0.369 0.000 6.320 19 N HA -0.242 4.498 4.740 0.000 0.000 0.402 19 N C -0.966 174.769 175.510 0.375 0.000 1.032 19 N CA 0.705 53.949 53.050 0.323 0.000 2.000 19 N CB -0.524 38.077 38.487 0.190 0.000 0.715 19 N HN 0.705 nan 8.380 nan 0.000 0.530 20 W N 1.685 123.060 121.300 0.125 0.000 2.274 20 W HA 0.287 4.947 4.660 0.000 0.000 0.345 20 W C 0.061 176.709 176.519 0.215 0.000 1.265 20 W CA 0.327 57.758 57.345 0.144 0.000 1.293 20 W CB 0.213 29.700 29.460 0.045 0.000 1.175 20 W HN 0.592 nan 8.180 nan 0.000 0.577 21 M N 5.690 124.960 119.600 -0.550 0.000 2.433 21 M HA 0.241 4.721 4.480 0.000 0.000 0.290 21 M C -1.063 174.763 176.300 -0.789 0.000 1.173 21 M CA -0.299 54.828 55.300 -0.289 0.000 0.905 21 M CB 1.958 34.495 32.600 -0.104 0.000 1.692 21 M HN 0.686 nan 8.290 nan 0.000 0.462 22 N N 0.754 119.153 118.700 -0.501 0.000 3.005 22 N HA 0.354 5.094 4.740 0.000 0.000 0.242 22 N C -1.248 173.678 175.510 -0.973 0.000 1.583 22 N CA -0.675 51.753 53.050 -1.036 0.000 0.978 22 N CB 0.927 39.284 38.487 -0.217 0.000 2.453 22 N HN 0.714 nan 8.380 nan 0.000 0.377 23 D N 1.431 121.473 120.400 -0.597 0.000 2.443 23 D HA 0.133 4.774 4.640 0.000 0.000 0.234 23 D C -2.395 173.764 176.300 -0.234 0.000 1.172 23 D CA -0.031 53.777 54.000 -0.320 0.000 0.878 23 D CB 0.593 41.261 40.800 -0.220 0.000 1.204 23 D HN 0.181 nan 8.370 nan 0.000 0.453 24 P HA 0.288 nan 4.420 nan 0.000 0.293 24 P C -1.159 175.977 177.300 -0.272 0.000 1.300 24 P CA -0.482 62.489 63.100 -0.216 0.000 0.792 24 P CB 0.833 32.448 31.700 -0.141 0.000 0.925 25 N N 1.141 119.606 118.700 -0.390 0.000 2.272 25 N HA 0.499 5.239 4.740 0.000 0.000 0.305 25 N C -0.023 175.386 175.510 -0.168 0.000 1.103 25 N CA -1.015 51.716 53.050 -0.531 0.000 0.791 25 N CB 1.344 38.853 38.487 -1.629 0.000 1.356 25 N HN 0.508 nan 8.380 nan 0.000 0.486 26 G N 2.312 111.147 108.800 0.058 0.000 2.395 26 G HA2 -0.193 3.767 3.960 0.000 0.000 0.292 26 G HA3 -0.193 3.767 3.960 0.000 0.000 0.292 26 G C -2.529 172.511 174.900 0.233 0.000 0.953 26 G CA -0.523 44.746 45.100 0.283 0.000 1.207 26 G HN 0.439 nan 8.290 nan 0.000 0.503 27 P HA 0.451 nan 4.420 nan 0.000 0.282 27 P C 0.164 177.276 177.300 -0.314 0.000 1.262 27 P CA -0.162 62.819 63.100 -0.198 0.000 0.773 27 P CB 1.516 33.106 31.700 -0.184 0.000 0.879 28 M N 3.789 123.135 119.600 -0.425 0.000 3.604 28 M HA 0.523 5.003 4.480 0.000 0.000 0.301 28 M C -2.297 173.979 176.300 -0.041 0.000 1.414 28 M CA -1.105 54.027 55.300 -0.281 0.000 0.860 28 M CB 1.258 33.984 32.600 0.210 0.000 1.797 28 M HN 0.208 nan 8.290 nan 0.000 0.489 29 I N 1.341 122.051 120.570 0.234 0.000 2.582 29 I HA 0.720 4.890 4.170 0.000 0.000 0.292 29 I C -2.457 173.825 176.117 0.275 0.000 1.066 29 I CA -0.212 61.189 61.300 0.167 0.000 1.053 29 I CB 2.271 40.359 38.000 0.147 0.000 1.241 29 I HN 0.809 nan 8.210 nan 0.000 0.421 30 Y N 7.136 127.462 120.300 0.042 0.000 2.362 30 Y HA 0.329 4.879 4.550 0.000 0.000 0.326 30 Y C -0.193 175.712 175.900 0.009 0.000 1.083 30 Y CA -1.111 57.046 58.100 0.094 0.000 1.073 30 Y CB 1.077 39.674 38.460 0.229 0.000 1.211 30 Y HN 0.694 nan 8.280 nan 0.000 0.433 31 K N 4.777 124.883 120.400 -0.490 0.000 3.257 31 K HA -0.207 4.113 4.320 0.000 0.000 0.270 31 K C 0.985 177.417 176.600 -0.278 0.000 0.984 31 K CA 1.018 57.038 56.287 -0.445 0.000 0.739 31 K CB -1.490 30.655 32.500 -0.591 0.000 1.351 31 K HN 1.446 nan 8.250 nan 0.000 0.463 32 G N -0.028 108.618 108.800 -0.257 0.000 2.216 32 G HA2 -0.332 3.628 3.960 0.000 0.000 0.269 32 G HA3 -0.332 3.628 3.960 0.000 0.000 0.269 32 G C 0.301 174.924 174.900 -0.461 0.000 0.981 32 G CA 0.951 45.862 45.100 -0.316 0.000 0.658 32 G HN 0.513 nan 8.290 nan 0.000 0.539 33 I N 0.754 121.085 120.570 -0.399 0.000 2.321 33 I HA 0.410 4.580 4.170 0.000 0.000 0.291 33 I C 0.421 176.190 176.117 -0.580 0.000 0.998 33 I CA -1.242 59.788 61.300 -0.450 0.000 1.227 33 I CB 0.697 38.530 38.000 -0.278 0.000 1.368 33 I HN -0.004 nan 8.210 nan 0.000 0.466 34 Y N 5.169 125.282 120.300 -0.312 0.000 2.299 34 Y HA 0.301 4.851 4.550 0.000 0.000 0.335 34 Y C 0.574 176.222 175.900 -0.419 0.000 1.287 34 Y CA 0.111 58.060 58.100 -0.253 0.000 1.424 34 Y CB 0.407 38.794 38.460 -0.122 0.000 1.326 34 Y HN 0.419 nan 8.280 nan 0.000 0.567 35 H N 1.320 120.475 119.070 0.142 0.000 2.851 35 H HA 0.560 5.117 4.556 0.000 0.000 0.372 35 H C -1.648 173.593 175.328 -0.145 0.000 1.158 35 H CA -0.909 55.154 56.048 0.024 0.000 1.159 35 H CB 2.350 32.127 29.762 0.024 0.000 1.757 35 H HN 0.503 nan 8.280 nan 0.000 0.546 36 L N 2.644 123.760 121.223 -0.178 0.000 2.505 36 L HA 0.460 4.800 4.340 0.000 0.000 0.266 36 L C -1.854 174.772 176.870 -0.407 0.000 0.954 36 L CA -0.324 54.227 54.840 -0.482 0.000 0.852 36 L CB 0.996 42.521 42.059 -0.889 0.000 1.282 36 L HN 0.341 nan 8.230 nan 0.000 0.403 37 F N 3.862 123.762 119.950 -0.084 0.000 2.697 37 F HA 0.889 5.416 4.527 0.000 0.000 0.386 37 F C -0.646 175.094 175.800 -0.099 0.000 1.154 37 F CA -0.343 57.588 58.000 -0.115 0.000 1.108 37 F CB 1.319 40.164 39.000 -0.259 0.000 1.429 37 F HN 0.557 nan 8.300 nan 0.000 0.509 38 Y N -2.604 117.512 120.300 -0.307 0.000 2.916 38 Y HA 0.237 4.787 4.550 0.000 0.000 0.397 38 Y C -1.901 173.809 175.900 -0.317 0.000 1.135 38 Y CA -1.971 55.890 58.100 -0.397 0.000 1.299 38 Y CB -0.026 38.293 38.460 -0.236 0.000 1.515 38 Y HN 0.419 nan 8.280 nan 0.000 0.502 39 Q N 1.541 121.257 119.800 -0.140 0.000 2.296 39 Q HA 0.191 4.531 4.340 0.000 0.000 0.263 39 Q C -1.448 174.665 176.000 0.189 0.000 1.026 39 Q CA 0.449 56.218 55.803 -0.056 0.000 0.912 39 Q CB 1.459 30.169 28.738 -0.047 0.000 1.198 39 Q HN 0.799 nan 8.270 nan 0.000 0.407 40 W N 4.008 125.272 121.300 -0.061 0.000 2.998 40 W HA 0.294 4.954 4.660 0.000 0.000 0.335 40 W C -1.270 175.266 176.519 0.028 0.000 1.110 40 W CA -0.864 56.505 57.345 0.040 0.000 1.230 40 W CB 1.266 30.691 29.460 -0.057 0.000 1.405 40 W HN 0.423 nan 8.180 nan 0.000 0.493 41 N N 6.960 125.275 118.700 -0.642 0.000 2.457 41 N HA 0.376 5.116 4.740 0.000 0.000 0.250 41 N C -1.633 173.089 175.510 -1.313 0.000 0.982 41 N CA -2.406 50.188 53.050 -0.761 0.000 0.941 41 N CB 2.069 40.341 38.487 -0.358 0.000 1.120 41 N HN 0.237 nan 8.380 nan 0.000 0.505 42 P HA -0.003 nan 4.420 nan 0.000 0.242 42 P C -0.011 177.019 177.300 -0.451 0.000 1.197 42 P CA 0.887 63.264 63.100 -1.204 0.000 0.765 42 P CB 0.466 31.690 31.700 -0.794 0.000 0.936 43 K N -1.127 119.052 120.400 -0.369 0.000 2.367 43 K HA 0.309 4.629 4.320 0.000 0.000 0.198 43 K C 1.337 177.868 176.600 -0.115 0.000 1.132 43 K CA 0.498 56.673 56.287 -0.187 0.000 0.941 43 K CB 0.701 33.099 32.500 -0.170 0.000 1.052 43 K HN 0.093 nan 8.250 nan 0.000 0.507 44 G N -0.320 108.407 108.800 -0.123 0.000 2.870 44 G HA2 0.492 4.452 3.960 0.000 0.000 0.299 44 G HA3 0.492 4.452 3.960 0.000 0.000 0.299 44 G C -0.810 174.121 174.900 0.051 0.000 1.324 44 G CA -0.152 44.930 45.100 -0.031 0.000 0.808 44 G HN 0.022 nan 8.290 nan 0.000 0.535 45 A N -0.989 121.898 122.820 0.111 0.000 2.387 45 A HA 0.545 4.865 4.320 0.000 0.000 0.234 45 A C 0.661 178.474 177.584 0.382 0.000 1.253 45 A CA 0.748 52.933 52.037 0.247 0.000 0.894 45 A CB -0.516 18.581 19.000 0.162 0.000 0.963 45 A HN 1.617 nan 8.150 nan 0.000 0.508 46 V N -4.851 115.153 119.914 0.150 0.000 2.581 46 V HA 0.577 4.697 4.120 0.000 0.000 0.303 46 V C -0.087 175.732 176.094 -0.458 0.000 1.041 46 V CA -1.577 60.680 62.300 -0.072 0.000 0.907 46 V CB 0.722 32.498 31.823 -0.080 0.000 0.994 46 V HN 0.426 nan 8.190 nan 0.000 0.442 47 W N 3.847 124.254 121.300 -1.487 0.000 2.551 47 W HA 0.423 5.083 4.660 0.000 0.000 0.336 47 W C 0.683 176.843 176.519 -0.599 0.000 1.158 47 W CA 2.193 58.673 57.345 -1.441 0.000 1.258 47 W CB -0.202 28.533 29.460 -1.209 0.000 1.157 47 W HN 1.302 nan 8.180 nan 0.000 0.562 48 G N 4.864 113.107 108.800 -0.928 0.000 2.404 48 G HA2 0.086 4.046 3.960 0.000 0.000 0.298 48 G HA3 0.086 4.046 3.960 0.000 0.000 0.298 48 G C -0.436 174.096 174.900 -0.613 0.000 1.577 48 G CA -0.586 44.103 45.100 -0.684 0.000 0.847 48 G HN 0.664 nan 8.290 nan 0.000 0.598 49 N N -0.297 118.124 118.700 -0.466 0.000 2.701 49 N HA -0.165 4.575 4.740 0.000 0.000 0.250 49 N C 0.717 176.028 175.510 -0.333 0.000 1.046 49 N CA 0.942 53.800 53.050 -0.319 0.000 0.733 49 N CB -0.703 37.627 38.487 -0.262 0.000 0.973 49 N HN 0.564 nan 8.380 nan 0.000 0.541 50 I N 0.916 121.212 120.570 -0.457 0.000 2.826 50 I HA -0.064 4.106 4.170 0.000 0.000 0.295 50 I C 1.121 177.221 176.117 -0.028 0.000 1.213 50 I CA 0.641 61.760 61.300 -0.301 0.000 1.436 50 I CB 0.204 37.975 38.000 -0.381 0.000 1.348 50 I HN -0.111 nan 8.210 nan 0.000 0.570 51 V N 6.089 126.044 119.914 0.068 0.000 3.160 51 V HA 0.344 4.464 4.120 0.000 0.000 0.310 51 V C -1.021 175.238 176.094 0.275 0.000 1.181 51 V CA -0.897 61.542 62.300 0.232 0.000 1.047 51 V CB 2.265 34.237 31.823 0.248 0.000 1.068 51 V HN 0.629 nan 8.190 nan 0.000 0.441 52 W N 2.211 123.485 121.300 -0.043 0.000 2.085 52 W HA 0.684 5.345 4.660 0.000 0.000 0.392 52 W C 0.656 177.108 176.519 -0.112 0.000 0.862 52 W CA -0.552 56.703 57.345 -0.150 0.000 1.542 52 W CB -0.028 29.223 29.460 -0.347 0.000 1.672 52 W HN 0.700 nan 8.180 nan 0.000 0.309 53 A N 2.300 125.001 122.820 -0.199 0.000 2.466 53 A HA 0.222 4.542 4.320 0.000 0.000 0.238 53 A C -0.432 177.036 177.584 -0.192 0.000 1.074 53 A CA 0.427 52.243 52.037 -0.368 0.000 0.774 53 A CB 0.224 18.625 19.000 -0.999 0.000 1.015 53 A HN 0.534 nan 8.150 nan 0.000 0.498 54 H N -0.245 118.811 119.070 -0.025 0.000 2.731 54 H HA 0.821 5.377 4.556 0.000 0.000 0.368 54 H C -0.685 174.736 175.328 0.155 0.000 1.168 54 H CA -0.650 55.467 56.048 0.116 0.000 1.181 54 H CB 1.882 31.808 29.762 0.272 0.000 1.743 54 H HN 0.649 nan 8.280 nan 0.000 0.547 55 S N 0.191 115.895 115.700 0.005 0.000 2.578 55 S HA 0.506 4.976 4.470 0.000 0.000 0.272 55 S C -1.162 173.395 174.600 -0.072 0.000 1.145 55 S CA -0.501 57.707 58.200 0.014 0.000 0.835 55 S CB 1.538 64.807 63.200 0.115 0.000 1.104 55 S HN 0.905 nan 8.310 nan 0.000 0.458 56 T N -1.514 113.058 114.554 0.031 0.000 2.887 56 T HA 0.921 5.271 4.350 0.000 0.000 0.292 56 T C -0.552 173.915 174.700 -0.388 0.000 1.087 56 T CA -0.807 61.210 62.100 -0.138 0.000 1.009 56 T CB 1.862 70.530 68.868 -0.333 0.000 1.203 56 T HN 0.664 nan 8.240 nan 0.000 0.518 57 S N -1.158 114.192 115.700 -0.584 0.000 2.611 57 S HA 0.642 5.112 4.470 0.000 0.000 0.268 57 S C 0.275 174.674 174.600 -0.335 0.000 1.156 57 S CA 0.092 57.825 58.200 -0.778 0.000 0.817 57 S CB 1.450 63.572 63.200 -1.797 0.000 1.122 57 S HN 1.430 nan 8.310 nan 0.000 0.466 58 T N -1.100 113.297 114.554 -0.262 0.000 3.004 58 T HA 0.304 4.654 4.350 0.000 0.000 0.266 58 T C -0.061 174.647 174.700 0.013 0.000 0.986 58 T CA 0.722 62.774 62.100 -0.080 0.000 0.902 58 T CB -0.137 68.657 68.868 -0.123 0.000 1.118 58 T HN 0.606 nan 8.240 nan 0.000 0.522 59 D N 0.646 120.966 120.400 -0.134 0.000 2.602 59 D HA 0.228 4.869 4.640 0.000 0.000 0.265 59 D C 0.914 177.080 176.300 -0.223 0.000 1.454 59 D CA -0.513 53.405 54.000 -0.136 0.000 0.795 59 D CB -0.850 39.872 40.800 -0.131 0.000 1.140 59 D HN 0.359 nan 8.370 nan 0.000 0.486 60 L N 0.267 121.277 121.223 -0.355 0.000 4.137 60 L HA -0.262 4.078 4.340 0.000 0.000 0.421 60 L C 0.191 177.105 176.870 0.073 0.000 1.162 60 L CA 0.435 55.166 54.840 -0.182 0.000 0.978 60 L CB -0.980 40.978 42.059 -0.169 0.000 1.957 60 L HN 0.292 nan 8.230 nan 0.000 0.978 61 I N -2.323 118.176 120.570 -0.119 0.000 3.878 61 I HA 0.156 4.327 4.170 0.000 0.000 0.273 61 I C 0.989 177.157 176.117 0.086 0.000 1.165 61 I CA 0.604 61.967 61.300 0.104 0.000 1.360 61 I CB -0.192 37.807 38.000 -0.001 0.000 1.539 61 I HN 0.147 nan 8.210 nan 0.000 0.447 62 N N 1.434 119.999 118.700 -0.225 0.000 2.434 62 N HA 0.227 4.968 4.740 0.000 0.000 0.272 62 N C -1.440 173.786 175.510 -0.473 0.000 1.040 62 N CA -0.046 52.906 53.050 -0.163 0.000 0.956 62 N CB 0.960 39.364 38.487 -0.139 0.000 1.108 62 N HN 0.045 nan 8.380 nan 0.000 0.481 63 W N 0.579 121.855 121.300 -0.040 0.000 2.587 63 W HA 0.317 4.978 4.660 0.000 0.000 0.324 63 W C -0.484 175.993 176.519 -0.069 0.000 1.040 63 W CA -0.640 56.648 57.345 -0.095 0.000 1.222 63 W CB 1.053 30.391 29.460 -0.204 0.000 1.381 63 W HN 0.315 nan 8.180 nan 0.000 0.483 64 D N 4.840 125.261 120.400 0.035 0.000 2.233 64 D HA 0.297 4.937 4.640 0.000 0.000 0.240 64 D C -1.990 174.293 176.300 -0.028 0.000 1.074 64 D CA -1.152 52.821 54.000 -0.044 0.000 0.838 64 D CB 1.309 42.015 40.800 -0.158 0.000 1.124 64 D HN -0.079 nan 8.370 nan 0.000 0.475 65 P HA 0.215 nan 4.420 nan 0.000 0.275 65 P C -0.843 176.302 177.300 -0.259 0.000 1.270 65 P CA -0.175 62.888 63.100 -0.062 0.000 0.791 65 P CB 0.964 32.630 31.700 -0.057 0.000 1.089 66 H N -2.767 116.298 119.070 -0.007 0.000 3.043 66 H HA 0.253 4.809 4.556 0.000 0.000 0.317 66 H C -2.440 172.948 175.328 0.100 0.000 1.321 66 H CA -1.019 55.063 56.048 0.058 0.000 1.243 66 H CB 1.340 31.144 29.762 0.070 0.000 1.924 66 H HN 0.333 nan 8.280 nan 0.000 0.527 67 P HA 0.126 nan 4.420 nan 0.000 0.271 67 P C -2.599 174.855 177.300 0.257 0.000 1.216 67 P CA -1.196 62.015 63.100 0.185 0.000 0.771 67 P CB 0.127 31.924 31.700 0.162 0.000 0.864 68 P HA -0.123 nan 4.420 nan 0.000 0.263 68 P C 0.515 178.070 177.300 0.425 0.000 1.162 68 P CA 0.749 64.015 63.100 0.277 0.000 0.758 68 P CB 0.200 32.038 31.700 0.231 0.000 0.773 69 A N 4.546 127.577 122.820 0.352 0.000 1.944 69 A HA 0.137 4.457 4.320 0.000 0.000 0.207 69 A C 0.651 178.153 177.584 -0.137 0.000 1.265 69 A CA 0.859 53.014 52.037 0.197 0.000 0.712 69 A CB 0.108 19.068 19.000 -0.067 0.000 0.915 69 A HN 0.454 nan 8.150 nan 0.000 0.470 70 I N 1.528 121.905 120.570 -0.320 0.000 2.355 70 I HA 0.513 4.683 4.170 0.000 0.000 0.288 70 I C -1.149 174.757 176.117 -0.351 0.000 0.999 70 I CA -0.575 60.251 61.300 -0.790 0.000 1.163 70 I CB 0.070 37.023 38.000 -1.744 0.000 1.316 70 I HN 0.359 nan 8.210 nan 0.000 0.454 71 F N 4.842 124.651 119.950 -0.236 0.000 2.668 71 F HA 0.639 5.166 4.527 0.000 0.000 0.309 71 F C -3.086 172.656 175.800 -0.096 0.000 1.117 71 F CA -3.005 54.934 58.000 -0.103 0.000 0.951 71 F CB 0.866 39.847 39.000 -0.030 0.000 1.323 71 F HN 0.072 nan 8.300 nan 0.000 0.451 72 P HA 0.134 nan 4.420 nan 0.000 0.256 72 P C -0.093 177.220 177.300 0.021 0.000 1.189 72 P CA 0.546 63.648 63.100 0.003 0.000 0.808 72 P CB 0.462 32.178 31.700 0.026 0.000 0.793 73 S N 2.434 118.050 115.700 -0.140 0.000 2.865 73 S HA 0.645 5.115 4.470 0.000 0.000 0.240 73 S C -0.357 174.088 174.600 -0.258 0.000 0.795 73 S CA -0.152 57.981 58.200 -0.112 0.000 1.073 73 S CB -0.316 62.856 63.200 -0.047 0.000 1.393 73 S HN 0.507 nan 8.310 nan 0.000 0.491 74 A N 0.944 123.524 122.820 -0.400 0.000 2.550 74 A HA 0.738 5.058 4.320 0.000 0.000 0.295 74 A C -2.889 174.297 177.584 -0.664 0.000 1.001 74 A CA -0.954 50.707 52.037 -0.625 0.000 0.660 74 A CB -0.163 18.147 19.000 -1.151 0.000 1.308 74 A HN 0.068 nan 8.150 nan 0.000 0.426 75 P HA -0.186 nan 4.420 nan 0.000 0.212 75 P C 1.304 178.438 177.300 -0.277 0.000 1.174 75 P CA 2.539 65.471 63.100 -0.281 0.000 0.934 75 P CB -0.375 31.246 31.700 -0.130 0.000 0.791 76 F N -0.137 119.763 119.950 -0.085 0.000 2.457 76 F HA -0.109 4.418 4.527 0.000 0.000 0.294 76 F C 0.483 176.202 175.800 -0.134 0.000 1.078 76 F CA 1.109 59.036 58.000 -0.122 0.000 1.484 76 F CB -1.397 37.512 39.000 -0.151 0.000 1.115 76 F HN 0.081 nan 8.300 nan 0.000 0.603 77 D N -1.720 118.595 120.400 -0.141 0.000 2.825 77 D HA -0.042 4.598 4.640 0.000 0.000 0.294 77 D C 1.127 177.365 176.300 -0.103 0.000 1.651 77 D CA -0.232 53.742 54.000 -0.043 0.000 0.847 77 D CB -1.607 39.281 40.800 0.147 0.000 1.389 77 D HN 0.298 nan 8.370 nan 0.000 0.426 78 I N 0.964 121.441 120.570 -0.155 0.000 2.657 78 I HA -0.096 4.074 4.170 0.000 0.000 0.261 78 I C 0.588 176.667 176.117 -0.063 0.000 1.212 78 I CA 1.059 62.287 61.300 -0.120 0.000 1.453 78 I CB -0.329 37.596 38.000 -0.125 0.000 1.092 78 I HN 0.119 nan 8.210 nan 0.000 0.452 79 N N 0.569 119.235 118.700 -0.057 0.000 2.205 79 N HA 0.191 4.931 4.740 0.000 0.000 0.201 79 N C 0.406 175.924 175.510 0.012 0.000 1.128 79 N CA 0.507 53.541 53.050 -0.027 0.000 0.867 79 N CB 1.356 39.822 38.487 -0.036 0.000 0.996 79 N HN 0.355 nan 8.380 nan 0.000 0.503 80 G N -0.253 108.561 108.800 0.022 0.000 2.368 80 G HA2 0.089 4.049 3.960 0.000 0.000 0.303 80 G HA3 0.089 4.049 3.960 0.000 0.000 0.303 80 G C -1.659 173.357 174.900 0.194 0.000 1.590 80 G CA -0.596 44.583 45.100 0.132 0.000 0.938 80 G HN 0.091 nan 8.290 nan 0.000 0.675 81 C N 2.174 121.674 119.300 0.333 0.000 2.492 81 C HA 0.551 5.011 4.460 0.000 0.000 0.284 81 C C 0.064 175.471 174.990 0.694 0.000 1.082 81 C CA -1.028 58.210 59.018 0.367 0.000 1.555 81 C CB -1.462 26.327 27.740 0.081 0.000 1.798 81 C HN 0.542 nan 8.230 nan 0.000 0.413 82 W N 1.923 123.460 121.300 0.395 0.000 2.049 82 W HA 0.326 4.986 4.660 0.000 0.000 0.356 82 W C 0.926 177.765 176.519 0.533 0.000 1.323 82 W CA -0.468 57.108 57.345 0.386 0.000 1.336 82 W CB -0.030 29.590 29.460 0.267 0.000 1.176 82 W HN 0.487 nan 8.180 nan 0.000 0.623 83 S N 0.505 116.491 115.700 0.476 0.000 2.550 83 S HA 0.410 4.881 4.470 0.000 0.000 0.285 83 S C 0.400 175.313 174.600 0.522 0.000 1.326 83 S CA 0.491 58.865 58.200 0.290 0.000 1.037 83 S CB 0.184 63.440 63.200 0.093 0.000 0.838 83 S HN 0.696 nan 8.310 nan 0.000 0.519 84 G N 0.251 109.375 108.800 0.541 0.000 2.731 84 G HA2 0.683 4.643 3.960 0.000 0.000 0.309 84 G HA3 0.683 4.643 3.960 0.000 0.000 0.309 84 G C -1.329 173.810 174.900 0.398 0.000 1.273 84 G CA -0.566 44.869 45.100 0.559 0.000 0.798 84 G HN 0.723 nan 8.290 nan 0.000 0.509 85 S N -1.921 113.987 115.700 0.347 0.000 2.615 85 S HA 0.792 5.262 4.470 0.000 0.000 0.269 85 S C -0.954 173.793 174.600 0.245 0.000 1.161 85 S CA 0.093 58.459 58.200 0.278 0.000 0.817 85 S CB 1.711 65.070 63.200 0.266 0.000 1.131 85 S HN 1.675 nan 8.310 nan 0.000 0.467 86 A N 1.383 124.362 122.820 0.266 0.000 2.330 86 A HA 0.774 5.094 4.320 0.000 0.000 0.313 86 A C -0.393 177.374 177.584 0.305 0.000 1.124 86 A CA -0.511 51.681 52.037 0.259 0.000 0.774 86 A CB 0.957 20.124 19.000 0.278 0.000 1.198 86 A HN 0.542 nan 8.150 nan 0.000 0.465 87 T N 2.893 117.618 114.554 0.285 0.000 2.902 87 T HA 0.463 4.813 4.350 0.000 0.000 0.283 87 T C -0.008 174.821 174.700 0.215 0.000 1.009 87 T CA -0.256 62.025 62.100 0.301 0.000 1.051 87 T CB 0.663 69.720 68.868 0.315 0.000 0.999 87 T HN 0.406 nan 8.240 nan 0.000 0.474 88 I N 3.974 124.710 120.570 0.276 0.000 2.291 88 I HA 0.204 4.374 4.170 0.000 0.000 0.290 88 I C 0.060 176.295 176.117 0.196 0.000 1.050 88 I CA -0.847 60.595 61.300 0.237 0.000 1.245 88 I CB 0.233 38.427 38.000 0.323 0.000 1.405 88 I HN 0.363 nan 8.210 nan 0.000 0.478 89 L N 9.315 130.569 121.223 0.051 0.000 2.485 89 L HA 0.108 4.448 4.340 0.000 0.000 0.275 89 L C -1.134 175.831 176.870 0.159 0.000 1.207 89 L CA -1.147 53.703 54.840 0.017 0.000 0.855 89 L CB -0.121 41.850 42.059 -0.147 0.000 1.114 89 L HN 0.356 nan 8.230 nan 0.000 0.485 90 P HA -0.046 nan 4.420 nan 0.000 0.297 90 P C -0.117 177.278 177.300 0.158 0.000 1.544 90 P CA 0.545 63.783 63.100 0.230 0.000 0.798 90 P CB -0.061 31.803 31.700 0.274 0.000 1.757 91 N N -2.169 116.611 118.700 0.132 0.000 1.863 91 N HA 0.048 4.788 4.740 0.000 0.000 0.226 91 N C 1.020 176.600 175.510 0.117 0.000 1.421 91 N CA 0.497 53.610 53.050 0.105 0.000 0.746 91 N CB -0.222 38.310 38.487 0.074 0.000 1.059 91 N HN 0.200 nan 8.380 nan 0.000 0.518 92 G N 1.012 109.897 108.800 0.141 0.000 2.148 92 G HA2 -0.254 3.707 3.960 0.000 0.000 0.203 92 G HA3 -0.254 3.707 3.960 0.000 0.000 0.203 92 G C -0.269 174.735 174.900 0.173 0.000 0.993 92 G CA 0.249 45.467 45.100 0.196 0.000 0.661 92 G HN 0.603 nan 8.290 nan 0.000 0.518 93 K N 1.451 121.877 120.400 0.043 0.000 2.172 93 K HA 0.696 5.016 4.320 0.000 0.000 0.276 93 K C -2.656 173.868 176.600 -0.126 0.000 1.013 93 K CA -2.535 53.694 56.287 -0.096 0.000 0.913 93 K CB 1.824 34.261 32.500 -0.106 0.000 1.055 93 K HN 0.095 nan 8.250 nan 0.000 0.461 94 P HA 0.177 nan 4.420 nan 0.000 0.304 94 P C -0.736 176.572 177.300 0.012 0.000 1.406 94 P CA -0.722 62.335 63.100 -0.071 0.000 0.948 94 P CB 1.351 33.002 31.700 -0.083 0.000 0.972 95 V N 2.601 122.559 119.914 0.072 0.000 3.420 95 V HA 0.689 4.809 4.120 0.000 0.000 0.295 95 V C 0.064 176.319 176.094 0.268 0.000 1.201 95 V CA -1.060 61.349 62.300 0.182 0.000 0.995 95 V CB 1.212 33.063 31.823 0.046 0.000 1.244 95 V HN 0.317 nan 8.190 nan 0.000 0.466 96 I N 0.032 120.711 120.570 0.182 0.000 2.752 96 I HA 0.437 4.607 4.170 0.000 0.000 0.295 96 I C -1.862 174.241 176.117 -0.023 0.000 1.219 96 I CA -0.484 60.809 61.300 -0.011 0.000 1.030 96 I CB 2.407 40.136 38.000 -0.453 0.000 1.259 96 I HN 0.410 nan 8.210 nan 0.000 0.423 97 L N 6.831 128.042 121.223 -0.020 0.000 2.345 97 L HA 0.446 4.786 4.340 0.000 0.000 0.274 97 L C -0.911 175.924 176.870 -0.058 0.000 0.999 97 L CA -0.393 54.371 54.840 -0.127 0.000 0.849 97 L CB 0.808 42.770 42.059 -0.161 0.000 1.220 97 L HN 0.410 nan 8.230 nan 0.000 0.422 98 Y N -0.082 120.053 120.300 -0.276 0.000 2.536 98 Y HA 0.806 5.356 4.550 0.000 0.000 0.347 98 Y C -0.280 175.523 175.900 -0.161 0.000 1.000 98 Y CA -1.092 56.905 58.100 -0.172 0.000 1.051 98 Y CB 1.402 39.599 38.460 -0.437 0.000 1.259 98 Y HN 0.333 nan 8.280 nan 0.000 0.468 99 T N 3.251 117.799 114.554 -0.010 0.000 2.723 99 T HA 0.550 4.900 4.350 0.000 0.000 0.297 99 T C 0.305 174.981 174.700 -0.041 0.000 0.925 99 T CA -0.075 61.952 62.100 -0.122 0.000 1.030 99 T CB 0.318 69.225 68.868 0.065 0.000 0.905 99 T HN 1.009 nan 8.240 nan 0.000 0.502 100 G N 2.348 110.990 108.800 -0.262 0.000 2.471 100 G HA2 0.647 4.607 3.960 0.000 0.000 0.332 100 G HA3 0.647 4.607 3.960 0.000 0.000 0.332 100 G C -0.753 174.004 174.900 -0.239 0.000 1.176 100 G CA -0.787 44.252 45.100 -0.100 0.000 0.949 100 G HN 0.617 nan 8.290 nan 0.000 0.488 101 I N 1.941 122.374 120.570 -0.229 0.000 2.354 101 I HA 0.232 4.402 4.170 0.000 0.000 0.286 101 I C -0.364 175.672 176.117 -0.135 0.000 1.007 101 I CA -1.201 59.943 61.300 -0.261 0.000 1.167 101 I CB 0.707 38.516 38.000 -0.319 0.000 1.320 101 I HN 0.620 nan 8.210 nan 0.000 0.458 102 D N 8.184 128.521 120.400 -0.105 0.000 2.384 102 D HA 0.211 4.851 4.640 0.000 0.000 0.244 102 D C -1.778 174.483 176.300 -0.066 0.000 1.251 102 D CA -1.605 52.353 54.000 -0.070 0.000 0.961 102 D CB 0.135 40.910 40.800 -0.040 0.000 1.116 102 D HN 0.278 nan 8.370 nan 0.000 0.484 103 P HA -0.199 nan 4.420 nan 0.000 0.221 103 P C 0.094 177.372 177.300 -0.036 0.000 1.141 103 P CA 1.535 64.607 63.100 -0.047 0.000 0.794 103 P CB -0.189 31.485 31.700 -0.044 0.000 0.764 104 K N -0.797 119.581 120.400 -0.036 0.000 3.174 104 K HA 0.201 4.521 4.320 0.000 0.000 0.207 104 K C -0.119 176.460 176.600 -0.034 0.000 1.190 104 K CA -0.796 55.474 56.287 -0.029 0.000 1.054 104 K CB -0.639 31.846 32.500 -0.024 0.000 1.154 104 K HN -0.251 nan 8.250 nan 0.000 0.495 105 N N 3.553 122.228 118.700 -0.041 0.000 2.777 105 N HA -0.235 4.505 4.740 0.000 0.000 0.290 105 N C -1.113 174.359 175.510 -0.063 0.000 1.040 105 N CA 1.470 54.488 53.050 -0.052 0.000 0.819 105 N CB -0.332 38.144 38.487 -0.018 0.000 0.952 105 N HN 0.846 nan 8.380 nan 0.000 0.584 106 Q N -0.288 119.457 119.800 -0.090 0.000 2.263 106 Q HA 0.242 4.582 4.340 0.000 0.000 0.262 106 Q C -1.156 174.780 176.000 -0.107 0.000 0.984 106 Q CA -0.820 54.939 55.803 -0.074 0.000 0.813 106 Q CB 1.093 29.808 28.738 -0.037 0.000 1.299 106 Q HN 0.157 nan 8.270 nan 0.000 0.428 107 Q N 2.250 121.980 119.800 -0.117 0.000 2.318 107 Q HA 0.135 4.475 4.340 0.000 0.000 0.270 107 Q C 0.156 176.144 176.000 -0.019 0.000 1.237 107 Q CA 0.102 55.816 55.803 -0.148 0.000 0.937 107 Q CB 0.131 28.814 28.738 -0.092 0.000 1.375 107 Q HN 0.541 nan 8.270 nan 0.000 0.452 108 V N -0.174 119.667 119.914 -0.122 0.000 2.975 108 V HA 0.463 4.583 4.120 0.000 0.000 0.318 108 V C -0.343 175.576 176.094 -0.291 0.000 1.077 108 V CA -1.199 61.034 62.300 -0.112 0.000 1.000 108 V CB 2.087 33.846 31.823 -0.105 0.000 1.066 108 V HN 0.438 nan 8.190 nan 0.000 0.452 109 Q N 2.641 122.227 119.800 -0.357 0.000 2.307 109 Q HA 0.565 4.905 4.340 0.000 0.000 0.262 109 Q C -1.143 174.500 176.000 -0.596 0.000 0.961 109 Q CA -0.274 55.208 55.803 -0.535 0.000 0.882 109 Q CB 1.714 30.078 28.738 -0.624 0.000 1.264 109 Q HN 0.881 nan 8.270 nan 0.000 0.446 110 N N 2.005 120.241 118.700 -0.773 0.000 2.328 110 N HA 0.553 5.293 4.740 0.000 0.000 0.299 110 N C -0.694 174.391 175.510 -0.708 0.000 1.179 110 N CA -0.572 51.975 53.050 -0.839 0.000 0.793 110 N CB 2.428 40.272 38.487 -1.072 0.000 1.366 110 N HN 0.498 nan 8.380 nan 0.000 0.493 111 I N 0.200 120.467 120.570 -0.505 0.000 2.693 111 I HA 0.693 4.863 4.170 0.000 0.000 0.303 111 I C -1.102 174.935 176.117 -0.133 0.000 1.025 111 I CA -0.763 60.380 61.300 -0.261 0.000 1.086 111 I CB 1.586 39.486 38.000 -0.167 0.000 1.268 111 I HN 0.630 nan 8.210 nan 0.000 0.440 112 A N 6.598 129.413 122.820 -0.008 0.000 2.429 112 A HA 0.541 4.861 4.320 0.000 0.000 0.289 112 A C -1.071 176.685 177.584 0.287 0.000 1.043 112 A CA -0.630 51.458 52.037 0.086 0.000 0.722 112 A CB 1.114 20.112 19.000 -0.004 0.000 1.243 112 A HN 0.751 nan 8.150 nan 0.000 0.415 113 E N 3.346 123.643 120.200 0.162 0.000 2.232 113 E HA 0.729 5.079 4.350 0.000 0.000 0.264 113 E C -2.723 173.715 176.600 -0.270 0.000 0.973 113 E CA -2.262 54.135 56.400 -0.005 0.000 0.849 113 E CB 2.095 31.749 29.700 -0.076 0.000 1.198 113 E HN 0.358 nan 8.360 nan 0.000 0.407 114 P HA 0.091 nan 4.420 nan 0.000 0.276 114 P C -0.529 176.516 177.300 -0.425 0.000 1.244 114 P CA -0.401 62.157 63.100 -0.904 0.000 0.801 114 P CB 1.806 32.880 31.700 -1.043 0.000 1.006 115 K N 0.656 120.856 120.400 -0.333 0.000 2.103 115 K HA 0.054 4.375 4.320 0.000 0.000 0.215 115 K C 0.484 177.004 176.600 -0.133 0.000 1.027 115 K CA 0.749 56.935 56.287 -0.169 0.000 0.953 115 K CB -0.576 31.864 32.500 -0.099 0.000 0.904 115 K HN 0.393 nan 8.250 nan 0.000 0.454 116 N N 3.520 122.159 118.700 -0.103 0.000 2.400 116 N HA -0.032 4.708 4.740 0.000 0.000 0.278 116 N C 0.813 176.281 175.510 -0.070 0.000 1.247 116 N CA 0.069 53.080 53.050 -0.065 0.000 0.970 116 N CB 0.282 38.746 38.487 -0.038 0.000 1.312 116 N HN 0.251 nan 8.380 nan 0.000 0.488 117 L N -0.921 120.262 121.223 -0.065 0.000 2.450 117 L HA -0.012 4.328 4.340 0.000 0.000 0.224 117 L C 0.746 177.647 176.870 0.052 0.000 1.149 117 L CA 1.342 56.158 54.840 -0.040 0.000 0.816 117 L CB -1.098 40.937 42.059 -0.041 0.000 0.932 117 L HN 0.227 nan 8.230 nan 0.000 0.449 118 S N -0.896 114.821 115.700 0.028 0.000 2.511 118 S HA 0.028 4.498 4.470 0.000 0.000 0.214 118 S C 0.484 175.097 174.600 0.023 0.000 0.997 118 S CA -0.321 57.899 58.200 0.033 0.000 0.908 118 S CB 0.075 63.273 63.200 -0.003 0.000 0.803 118 S HN 0.483 nan 8.310 nan 0.000 0.504 119 D N 3.362 123.774 120.400 0.019 0.000 2.401 119 D HA 0.078 4.719 4.640 0.000 0.000 0.254 119 D C -1.417 174.937 176.300 0.089 0.000 1.192 119 D CA -1.612 52.385 54.000 -0.005 0.000 0.885 119 D CB 1.048 41.844 40.800 -0.006 0.000 1.147 119 D HN 0.065 nan 8.370 nan 0.000 0.478 120 P HA -0.087 nan 4.420 nan 0.000 0.245 120 P C 0.458 178.058 177.300 0.500 0.000 1.212 120 P CA 0.867 64.063 63.100 0.160 0.000 0.774 120 P CB 0.041 31.751 31.700 0.018 0.000 0.999 121 Y N -0.482 119.918 120.300 0.166 0.000 2.507 121 Y HA 0.243 4.793 4.550 0.000 0.000 0.263 121 Y C 1.388 177.406 175.900 0.196 0.000 1.093 121 Y CA -0.657 57.539 58.100 0.161 0.000 1.285 121 Y CB 0.142 38.613 38.460 0.018 0.000 1.115 121 Y HN -0.366 nan 8.280 nan 0.000 0.533 122 L N 2.083 123.459 121.223 0.256 0.000 3.739 122 L HA -0.336 4.004 4.340 0.000 0.000 0.442 122 L C 1.650 178.618 176.870 0.163 0.000 1.241 122 L CA 0.566 55.421 54.840 0.024 0.000 0.819 122 L CB -1.063 40.925 42.059 -0.119 0.000 1.679 122 L HN 0.480 nan 8.230 nan 0.000 0.889 123 R N -0.030 120.594 120.500 0.207 0.000 2.153 123 R HA 0.042 4.382 4.340 0.000 0.000 0.218 123 R C 0.379 176.877 176.300 0.330 0.000 1.072 123 R CA 0.658 56.962 56.100 0.340 0.000 0.990 123 R CB 0.134 30.628 30.300 0.325 0.000 0.889 123 R HN 0.532 nan 8.270 nan 0.000 0.452 124 E N 0.822 121.107 120.200 0.142 0.000 2.092 124 E HA 0.119 4.469 4.350 0.000 0.000 0.271 124 E C -1.587 174.997 176.600 -0.028 0.000 0.919 124 E CA -0.659 55.816 56.400 0.124 0.000 0.760 124 E CB 0.756 30.503 29.700 0.078 0.000 1.106 124 E HN 0.140 nan 8.360 nan 0.000 0.408 125 W N 2.869 124.139 121.300 -0.049 0.000 2.390 125 W HA 0.293 4.954 4.660 0.000 0.000 0.312 125 W C 0.420 176.861 176.519 -0.131 0.000 1.123 125 W CA -0.544 56.721 57.345 -0.134 0.000 1.202 125 W CB 0.912 30.218 29.460 -0.257 0.000 1.251 125 W HN 0.205 nan 8.180 nan 0.000 0.511 126 K N 3.552 123.976 120.400 0.040 0.000 2.201 126 K HA 0.313 4.633 4.320 0.000 0.000 0.278 126 K C -0.432 176.193 176.600 0.042 0.000 1.027 126 K CA -0.450 55.846 56.287 0.015 0.000 0.909 126 K CB 0.535 33.015 32.500 -0.034 0.000 1.062 126 K HN 0.346 nan 8.250 nan 0.000 0.465 127 K N 2.568 122.992 120.400 0.041 0.000 2.367 127 K HA 0.108 4.428 4.320 0.000 0.000 0.263 127 K C -0.440 176.173 176.600 0.021 0.000 1.000 127 K CA -0.520 55.797 56.287 0.049 0.000 0.891 127 K CB 1.732 34.329 32.500 0.162 0.000 1.117 127 K HN 0.578 nan 8.250 nan 0.000 0.443 128 S N 3.387 119.041 115.700 -0.077 0.000 2.550 128 S HA 0.001 4.471 4.470 0.000 0.000 0.285 128 S C -1.133 173.397 174.600 -0.115 0.000 1.326 128 S CA -0.699 57.443 58.200 -0.096 0.000 1.037 128 S CB 0.399 63.522 63.200 -0.128 0.000 0.838 128 S HN 0.507 nan 8.310 nan 0.000 0.519 129 P HA 0.098 nan 4.420 nan 0.000 0.239 129 P C 1.196 178.477 177.300 -0.032 0.000 1.188 129 P CA 0.517 63.638 63.100 0.035 0.000 0.794 129 P CB -0.001 31.725 31.700 0.042 0.000 0.937 130 L N -0.847 120.321 121.223 -0.092 0.000 2.551 130 L HA 0.032 4.373 4.340 0.000 0.000 0.228 130 L C 0.738 177.496 176.870 -0.187 0.000 1.153 130 L CA 0.212 54.995 54.840 -0.096 0.000 0.851 130 L CB -1.009 41.009 42.059 -0.069 0.000 0.959 130 L HN -0.047 nan 8.230 nan 0.000 0.451 131 N N 1.722 120.195 118.700 -0.377 0.000 2.479 131 N HA 0.124 4.864 4.740 0.000 0.000 0.257 131 N C -2.175 173.124 175.510 -0.352 0.000 1.232 131 N CA -0.981 51.702 53.050 -0.612 0.000 0.920 131 N CB 0.178 37.810 38.487 -1.425 0.000 1.105 131 N HN 0.003 nan 8.380 nan 0.000 0.444 132 P HA 0.135 nan 4.420 nan 0.000 0.278 132 P C 0.342 177.475 177.300 -0.278 0.000 1.238 132 P CA -0.439 62.462 63.100 -0.333 0.000 0.794 132 P CB 1.080 32.647 31.700 -0.221 0.000 0.955 133 L N 1.519 122.524 121.223 -0.363 0.000 2.270 133 L HA 0.192 4.532 4.340 0.000 0.000 0.210 133 L C 1.301 177.987 176.870 -0.307 0.000 1.104 133 L CA 1.575 56.226 54.840 -0.315 0.000 0.804 133 L CB -0.725 41.035 42.059 -0.498 0.000 0.937 133 L HN 0.457 nan 8.230 nan 0.000 0.450 134 M N -1.375 118.000 119.600 -0.375 0.000 2.326 134 M HA 0.637 5.117 4.480 0.000 0.000 0.292 134 M C -0.976 175.299 176.300 -0.041 0.000 1.081 134 M CA -0.156 54.952 55.300 -0.321 0.000 0.919 134 M CB 2.764 34.895 32.600 -0.781 0.000 1.634 134 M HN -0.119 nan 8.290 nan 0.000 0.451 135 A N 3.232 126.088 122.820 0.060 0.000 2.574 135 A HA 0.957 5.277 4.320 0.000 0.000 0.297 135 A C -3.011 174.548 177.584 -0.042 0.000 1.062 135 A CA -1.368 50.721 52.037 0.088 0.000 0.686 135 A CB 1.639 20.644 19.000 0.008 0.000 1.285 135 A HN 0.491 nan 8.150 nan 0.000 0.403 136 P HA 0.380 nan 4.420 nan 0.000 0.276 136 P C -1.322 175.914 177.300 -0.107 0.000 1.235 136 P CA 0.452 63.417 63.100 -0.225 0.000 0.772 136 P CB 1.222 32.794 31.700 -0.213 0.000 0.871 137 D N 2.080 122.419 120.400 -0.102 0.000 2.904 137 D HA 0.421 5.061 4.640 0.000 0.000 0.290 137 D C 1.012 177.275 176.300 -0.063 0.000 1.180 137 D CA -0.790 53.172 54.000 -0.063 0.000 1.065 137 D CB -0.234 40.541 40.800 -0.042 0.000 1.386 137 D HN 0.147 nan 8.370 nan 0.000 0.599 138 A N -0.468 122.325 122.820 -0.046 0.000 1.970 138 A HA 0.088 4.408 4.320 0.000 0.000 0.216 138 A C 2.022 179.579 177.584 -0.046 0.000 1.170 138 A CA 1.603 53.615 52.037 -0.042 0.000 0.645 138 A CB -0.732 18.250 19.000 -0.031 0.000 0.816 138 A HN 0.347 nan 8.150 nan 0.000 0.447 139 V N 1.650 121.536 119.914 -0.046 0.000 2.300 139 V HA -0.190 3.930 4.120 0.000 0.000 0.241 139 V C 2.223 178.276 176.094 -0.067 0.000 1.034 139 V CA 2.590 64.861 62.300 -0.048 0.000 1.021 139 V CB -0.807 30.994 31.823 -0.038 0.000 0.662 139 V HN 0.834 nan 8.190 nan 0.000 0.458 140 N N 1.459 120.110 118.700 -0.081 0.000 2.244 140 N HA 0.054 4.794 4.740 0.000 0.000 0.183 140 N C 1.170 176.604 175.510 -0.128 0.000 1.016 140 N CA 1.129 54.108 53.050 -0.117 0.000 0.866 140 N CB -1.137 37.266 38.487 -0.141 0.000 0.980 140 N HN 0.858 nan 8.380 nan 0.000 0.430 141 G N 0.829 109.561 108.800 -0.114 0.000 2.261 141 G HA2 -0.126 3.834 3.960 0.000 0.000 0.220 141 G HA3 -0.126 3.834 3.960 0.000 0.000 0.220 141 G C -0.362 174.459 174.900 -0.131 0.000 0.572 141 G CA 0.692 45.728 45.100 -0.106 0.000 1.011 141 G HN 0.799 nan 8.290 nan 0.000 0.328 142 I N -1.377 119.104 120.570 -0.149 0.000 2.841 142 I HA 0.374 4.544 4.170 0.000 0.000 0.298 142 I C -0.168 175.881 176.117 -0.113 0.000 1.304 142 I CA -1.742 59.465 61.300 -0.155 0.000 1.019 142 I CB 1.826 39.689 38.000 -0.228 0.000 1.282 142 I HN 0.073 nan 8.210 nan 0.000 0.432 143 N N 3.062 121.710 118.700 -0.086 0.000 2.292 143 N HA 0.053 4.794 4.740 0.000 0.000 0.284 143 N C 1.234 176.745 175.510 0.002 0.000 1.387 143 N CA 0.744 53.768 53.050 -0.043 0.000 0.961 143 N CB 0.920 39.389 38.487 -0.030 0.000 1.356 143 N HN 0.785 nan 8.380 nan 0.000 0.491 144 A N 1.741 124.556 122.820 -0.009 0.000 2.131 144 A HA -0.123 4.197 4.320 0.000 0.000 0.220 144 A C 1.670 179.283 177.584 0.048 0.000 1.158 144 A CA 1.196 53.243 52.037 0.017 0.000 0.665 144 A CB 0.030 19.024 19.000 -0.009 0.000 0.795 144 A HN 0.509 nan 8.150 nan 0.000 0.460 145 S N -0.774 114.957 115.700 0.052 0.000 2.614 145 S HA 0.277 4.747 4.470 0.000 0.000 0.230 145 S C 0.436 175.120 174.600 0.140 0.000 0.952 145 S CA 0.139 58.386 58.200 0.078 0.000 0.949 145 S CB 0.152 63.393 63.200 0.068 0.000 0.786 145 S HN 0.305 nan 8.310 nan 0.000 0.478 146 S N 1.196 116.990 115.700 0.156 0.000 2.593 146 S HA 0.387 4.857 4.470 0.000 0.000 0.178 146 S C -1.214 173.556 174.600 0.283 0.000 1.114 146 S CA -0.433 57.887 58.200 0.199 0.000 1.199 146 S CB 0.087 63.367 63.200 0.133 0.000 1.564 146 S HN 0.410 nan 8.310 nan 0.000 0.407 147 F N 3.899 123.903 119.950 0.090 0.000 2.872 147 F HA 0.486 5.013 4.527 0.000 0.000 0.363 147 F C -0.417 175.432 175.800 0.081 0.000 1.357 147 F CA -0.444 57.599 58.000 0.072 0.000 1.174 147 F CB 0.131 39.145 39.000 0.023 0.000 1.860 147 F HN 0.328 nan 8.300 nan 0.000 0.615 148 R N 1.078 121.578 120.500 -0.001 0.000 2.906 148 R HA 0.515 4.855 4.340 0.000 0.000 0.258 148 R C -1.357 174.967 176.300 0.041 0.000 1.156 148 R CA -0.250 55.842 56.100 -0.013 0.000 0.996 148 R CB 0.687 31.189 30.300 0.337 0.000 1.259 148 R HN 0.260 nan 8.270 nan 0.000 0.462 149 D N 0.452 120.909 120.400 0.095 0.000 2.872 149 D HA -0.067 4.573 4.640 0.000 0.000 0.248 149 D C -2.414 173.935 176.300 0.082 0.000 1.104 149 D CA 0.538 54.610 54.000 0.120 0.000 0.784 149 D CB -0.922 39.964 40.800 0.143 0.000 1.036 149 D HN 0.501 nan 8.370 nan 0.000 0.426 150 P HA 0.097 nan 4.420 nan 0.000 0.276 150 P C 0.632 178.008 177.300 0.127 0.000 1.230 150 P CA -0.108 62.995 63.100 0.005 0.000 0.776 150 P CB 0.996 32.603 31.700 -0.154 0.000 0.888 151 T N 0.348 115.029 114.554 0.211 0.000 2.771 151 T HA 0.214 4.565 4.350 0.000 0.000 0.290 151 T C 0.530 175.441 174.700 0.352 0.000 1.005 151 T CA -0.288 62.004 62.100 0.321 0.000 0.944 151 T CB -0.412 68.730 68.868 0.456 0.000 1.147 151 T HN 0.275 nan 8.240 nan 0.000 0.534 152 T N 1.264 116.085 114.554 0.446 0.000 2.860 152 T HA 0.529 4.879 4.350 0.000 0.000 0.299 152 T C 0.252 175.333 174.700 0.635 0.000 1.045 152 T CA -0.175 62.216 62.100 0.485 0.000 1.071 152 T CB 0.343 69.508 68.868 0.495 0.000 0.985 152 T HN 0.952 nan 8.240 nan 0.000 0.537 153 A N 2.026 125.218 122.820 0.620 0.000 2.305 153 A HA 0.672 4.992 4.320 0.000 0.000 0.322 153 A C -0.909 177.231 177.584 0.926 0.000 1.187 153 A CA -0.966 51.468 52.037 0.662 0.000 0.825 153 A CB 0.365 19.766 19.000 0.667 0.000 1.164 153 A HN 0.919 nan 8.150 nan 0.000 0.498 154 W N 2.983 124.669 121.300 0.644 0.000 2.656 154 W HA 0.588 5.248 4.660 0.000 0.000 0.327 154 W C -0.104 176.525 176.519 0.184 0.000 1.041 154 W CA -1.108 56.500 57.345 0.437 0.000 1.229 154 W CB 0.543 30.196 29.460 0.322 0.000 1.397 154 W HN 0.634 nan 8.180 nan 0.000 0.479 155 L N 3.587 124.660 121.223 -0.249 0.000 1.884 155 L HA 0.509 4.849 4.340 0.000 0.000 0.236 155 L C 1.089 177.793 176.870 -0.277 0.000 1.088 155 L CA 2.683 57.041 54.840 -0.802 0.000 0.841 155 L CB -0.944 40.617 42.059 -0.830 0.000 0.900 155 L HN 1.022 nan 8.230 nan 0.000 0.427 156 G N -2.907 105.794 108.800 -0.166 0.000 2.359 156 G HA2 -0.007 3.953 3.960 0.000 0.000 0.293 156 G HA3 -0.007 3.953 3.960 0.000 0.000 0.293 156 G C -0.758 173.876 174.900 -0.443 0.000 1.300 156 G CA 0.034 45.071 45.100 -0.104 0.000 0.888 156 G HN 0.327 nan 8.290 nan 0.000 0.541 157 Q N 0.130 119.664 119.800 -0.443 0.000 2.431 157 Q HA 0.131 4.471 4.340 0.000 0.000 0.210 157 Q C -0.055 175.722 176.000 -0.373 0.000 0.958 157 Q CA 1.541 56.958 55.803 -0.643 0.000 0.957 157 Q CB -0.141 28.389 28.738 -0.347 0.000 1.007 157 Q HN 0.589 nan 8.270 nan 0.000 0.511 158 D N -2.424 117.801 120.400 -0.291 0.000 3.057 158 D HA 0.061 4.701 4.640 0.000 0.000 0.328 158 D C -0.116 176.058 176.300 -0.210 0.000 1.317 158 D CA -0.747 53.139 54.000 -0.191 0.000 0.973 158 D CB 0.205 40.928 40.800 -0.127 0.000 1.424 158 D HN -0.243 nan 8.370 nan 0.000 0.569 159 K N -0.477 119.833 120.400 -0.151 0.000 2.366 159 K HA 0.042 4.362 4.320 0.000 0.000 0.198 159 K C -0.314 176.163 176.600 -0.205 0.000 1.044 159 K CA 0.332 56.527 56.287 -0.153 0.000 0.973 159 K CB 0.011 32.485 32.500 -0.044 0.000 0.767 159 K HN 0.193 nan 8.250 nan 0.000 0.475 160 K N 1.279 121.579 120.400 -0.167 0.000 2.366 160 K HA -0.087 4.233 4.320 0.000 0.000 0.279 160 K C -0.951 175.532 176.600 -0.195 0.000 1.098 160 K CA 0.183 56.391 56.287 -0.132 0.000 1.087 160 K CB 0.044 32.492 32.500 -0.086 0.000 0.901 160 K HN 0.054 nan 8.250 nan 0.000 0.463 161 W N 2.602 123.791 121.300 -0.186 0.000 2.238 161 W HA 0.181 4.841 4.660 0.000 0.000 0.321 161 W C 0.490 176.834 176.519 -0.292 0.000 1.293 161 W CA -0.287 56.940 57.345 -0.196 0.000 1.204 161 W CB 0.717 30.059 29.460 -0.197 0.000 1.167 161 W HN 0.352 nan 8.180 nan 0.000 0.553 162 R N 1.763 122.103 120.500 -0.266 0.000 2.740 162 R HA 0.818 5.158 4.340 0.000 0.000 0.282 162 R C -1.240 174.430 176.300 -1.049 0.000 0.969 162 R CA -1.027 54.712 56.100 -0.603 0.000 0.918 162 R CB 2.351 32.211 30.300 -0.734 0.000 1.175 162 R HN 0.330 nan 8.270 nan 0.000 0.464 163 V N 3.465 123.042 119.914 -0.561 0.000 3.242 163 V HA 0.647 4.767 4.120 0.000 0.000 0.298 163 V C -1.606 174.541 176.094 0.089 0.000 1.352 163 V CA -0.737 61.383 62.300 -0.300 0.000 1.052 163 V CB 2.330 34.157 31.823 0.006 0.000 1.101 163 V HN 0.747 nan 8.190 nan 0.000 0.446 164 I N 1.733 122.486 120.570 0.304 0.000 2.828 164 I HA 0.796 4.966 4.170 0.000 0.000 0.302 164 I C -1.422 174.850 176.117 0.258 0.000 1.101 164 I CA -0.884 60.614 61.300 0.331 0.000 1.031 164 I CB 2.160 40.402 38.000 0.403 0.000 1.231 164 I HN 0.444 nan 8.210 nan 0.000 0.427 165 I N 2.219 122.945 120.570 0.260 0.000 2.892 165 I HA 0.659 4.829 4.170 0.000 0.000 0.306 165 I C 0.495 176.769 176.117 0.261 0.000 1.078 165 I CA -0.369 61.030 61.300 0.165 0.000 1.032 165 I CB 2.075 40.066 38.000 -0.014 0.000 1.229 165 I HN 0.766 nan 8.210 nan 0.000 0.435 166 G N 1.970 110.909 108.800 0.231 0.000 2.320 166 G HA2 0.611 4.571 3.960 0.000 0.000 0.300 166 G HA3 0.611 4.571 3.960 0.000 0.000 0.300 166 G C -0.550 174.527 174.900 0.295 0.000 1.126 166 G CA -0.013 45.275 45.100 0.313 0.000 0.896 166 G HN 0.531 nan 8.290 nan 0.000 0.436 167 S N 0.457 116.312 115.700 0.258 0.000 3.081 167 S HA 0.834 5.304 4.470 0.000 0.000 0.316 167 S C -0.706 173.943 174.600 0.081 0.000 1.089 167 S CA -0.824 57.494 58.200 0.196 0.000 0.897 167 S CB 1.944 65.260 63.200 0.192 0.000 1.358 167 S HN 0.903 nan 8.310 nan 0.000 0.678 168 K N 0.213 120.622 120.400 0.016 0.000 2.600 168 K HA 0.415 4.735 4.320 0.000 0.000 0.262 168 K C -2.186 174.364 176.600 -0.083 0.000 0.935 168 K CA -0.641 55.620 56.287 -0.042 0.000 0.866 168 K CB 0.541 33.055 32.500 0.022 0.000 1.354 168 K HN 0.354 nan 8.250 nan 0.000 0.419 169 I N 3.766 124.269 120.570 -0.111 0.000 2.466 169 I HA 0.259 4.429 4.170 0.000 0.000 0.279 169 I C -0.168 175.912 176.117 -0.063 0.000 1.033 169 I CA -0.253 60.956 61.300 -0.151 0.000 1.123 169 I CB 0.300 38.227 38.000 -0.123 0.000 1.237 169 I HN 0.778 nan 8.210 nan 0.000 0.460 170 H N 6.646 125.700 119.070 -0.028 0.000 2.591 170 H HA -0.181 4.375 4.556 0.000 0.000 0.325 170 H C 1.086 176.408 175.328 -0.009 0.000 1.096 170 H CA 0.779 56.817 56.048 -0.017 0.000 1.108 170 H CB -0.653 29.093 29.762 -0.026 0.000 1.590 170 H HN 0.709 nan 8.280 nan 0.000 0.399 171 R N -2.079 118.468 120.500 0.079 0.000 3.884 171 R HA -0.211 4.129 4.340 0.000 0.000 0.464 171 R C 0.761 177.092 176.300 0.051 0.000 0.963 171 R CA 1.555 57.697 56.100 0.070 0.000 1.408 171 R CB -0.652 29.695 30.300 0.078 0.000 2.054 171 R HN 0.423 nan 8.270 nan 0.000 0.522 172 R N 1.562 122.070 120.500 0.014 0.000 2.419 172 R HA 0.203 4.543 4.340 0.000 0.000 0.305 172 R C 0.140 176.354 176.300 -0.144 0.000 1.242 172 R CA 0.543 56.620 56.100 -0.038 0.000 1.105 172 R CB 0.421 30.674 30.300 -0.079 0.000 1.116 172 R HN 0.217 nan 8.270 nan 0.000 0.523 173 G N 4.100 112.792 108.800 -0.181 0.000 2.441 173 G HA2 0.366 4.326 3.960 0.000 0.000 0.243 173 G HA3 0.366 4.326 3.960 0.000 0.000 0.243 173 G C -0.590 173.509 174.900 -1.336 0.000 1.281 173 G CA -0.233 44.493 45.100 -0.624 0.000 0.854 173 G HN 0.505 nan 8.290 nan 0.000 0.560 174 L N -0.636 119.772 121.223 -1.359 0.000 2.828 174 L HA 0.912 5.252 4.340 0.000 0.000 0.264 174 L C -0.324 176.322 176.870 -0.373 0.000 1.106 174 L CA -1.903 52.262 54.840 -1.124 0.000 0.955 174 L CB 1.119 42.921 42.059 -0.428 0.000 1.558 174 L HN 0.852 nan 8.230 nan 0.000 0.386 175 A N 0.733 123.551 122.820 -0.003 0.000 2.545 175 A HA 0.780 5.100 4.320 0.000 0.000 0.300 175 A C -0.634 177.087 177.584 0.229 0.000 1.252 175 A CA -0.193 52.020 52.037 0.293 0.000 0.753 175 A CB -0.084 19.202 19.000 0.477 0.000 1.144 175 A HN 0.645 nan 8.150 nan 0.000 0.457 176 I N 2.150 122.865 120.570 0.242 0.000 2.533 176 I HA 0.165 4.335 4.170 0.000 0.000 0.284 176 I C 0.998 177.294 176.117 0.298 0.000 1.109 176 I CA 0.350 61.790 61.300 0.234 0.000 1.412 176 I CB 1.385 39.562 38.000 0.296 0.000 1.396 176 I HN 0.586 nan 8.210 nan 0.000 0.543 177 T N 5.729 120.407 114.554 0.206 0.000 2.895 177 T HA 0.494 4.844 4.350 0.000 0.000 0.283 177 T C -1.079 173.729 174.700 0.180 0.000 1.014 177 T CA -0.276 61.967 62.100 0.238 0.000 1.037 177 T CB 0.644 69.636 68.868 0.206 0.000 1.006 177 T HN 0.298 nan 8.240 nan 0.000 0.468 178 Y N 2.064 122.457 120.300 0.155 0.000 2.338 178 Y HA 0.395 4.945 4.550 0.000 0.000 0.333 178 Y C 0.813 176.852 175.900 0.232 0.000 0.968 178 Y CA -0.782 57.446 58.100 0.213 0.000 1.123 178 Y CB 1.939 40.574 38.460 0.291 0.000 1.165 178 Y HN 0.809 nan 8.280 nan 0.000 0.452 179 T N -0.656 114.030 114.554 0.220 0.000 2.909 179 T HA 0.553 4.903 4.350 0.000 0.000 0.289 179 T C -0.024 174.652 174.700 -0.040 0.000 1.005 179 T CA -0.710 61.431 62.100 0.069 0.000 1.084 179 T CB 1.627 70.501 68.868 0.011 0.000 0.975 179 T HN 0.496 nan 8.240 nan 0.000 0.509 180 S N 0.871 116.376 115.700 -0.326 0.000 2.521 180 S HA 0.373 4.843 4.470 0.000 0.000 0.295 180 S C 1.001 175.395 174.600 -0.343 0.000 1.098 180 S CA -0.980 56.781 58.200 -0.732 0.000 0.999 180 S CB 1.024 62.974 63.200 -2.083 0.000 1.034 180 S HN 0.688 nan 8.310 nan 0.000 0.483 181 K N 2.840 123.078 120.400 -0.269 0.000 1.973 181 K HA -0.037 4.283 4.320 0.000 0.000 0.212 181 K C 0.121 176.704 176.600 -0.029 0.000 1.047 181 K CA 1.616 57.837 56.287 -0.110 0.000 0.937 181 K CB -0.529 31.920 32.500 -0.085 0.000 0.721 181 K HN 0.845 nan 8.250 nan 0.000 0.440 182 D N -2.173 118.185 120.400 -0.071 0.000 2.992 182 D HA 0.157 4.797 4.640 0.000 0.000 0.372 182 D C -0.362 175.934 176.300 -0.007 0.000 1.374 182 D CA -0.775 53.249 54.000 0.040 0.000 0.769 182 D CB -0.786 40.040 40.800 0.044 0.000 1.215 182 D HN 0.087 nan 8.370 nan 0.000 0.473 183 F N 0.117 119.791 119.950 -0.460 0.000 3.093 183 F HA -0.311 4.217 4.527 0.000 0.000 0.287 183 F C 0.068 175.835 175.800 -0.056 0.000 0.882 183 F CA 0.883 58.614 58.000 -0.448 0.000 1.063 183 F CB -0.868 37.870 39.000 -0.437 0.000 1.097 183 F HN 0.437 nan 8.300 nan 0.000 0.604 184 L N -0.935 120.221 121.223 -0.111 0.000 2.437 184 L HA 0.309 4.649 4.340 0.000 0.000 0.188 184 L C 0.165 177.105 176.870 0.116 0.000 1.123 184 L CA -0.094 54.815 54.840 0.115 0.000 0.981 184 L CB 0.218 42.312 42.059 0.058 0.000 1.935 184 L HN -0.134 nan 8.230 nan 0.000 0.494 185 K N 1.060 121.409 120.400 -0.086 0.000 2.262 185 K HA 0.277 4.597 4.320 0.000 0.000 0.282 185 K C -1.897 174.631 176.600 -0.120 0.000 1.066 185 K CA -0.208 56.074 56.287 -0.008 0.000 0.901 185 K CB 0.506 32.989 32.500 -0.028 0.000 1.089 185 K HN 0.046 nan 8.250 nan 0.000 0.476 186 W N 2.259 123.561 121.300 0.003 0.000 2.361 186 W HA 0.233 4.893 4.660 0.000 0.000 0.314 186 W C 0.127 176.776 176.519 0.215 0.000 1.041 186 W CA -0.742 56.650 57.345 0.078 0.000 1.241 186 W CB 1.085 30.541 29.460 -0.007 0.000 1.279 186 W HN 0.474 nan 8.180 nan 0.000 0.436 187 E N 3.316 123.696 120.200 0.300 0.000 2.259 187 E HA 0.136 4.486 4.350 0.000 0.000 0.281 187 E C -0.139 176.480 176.600 0.033 0.000 1.027 187 E CA -0.508 55.985 56.400 0.155 0.000 0.838 187 E CB 0.846 30.572 29.700 0.043 0.000 1.066 187 E HN 0.064 nan 8.360 nan 0.000 0.401 188 K N 3.815 124.072 120.400 -0.237 0.000 2.315 188 K HA 0.085 4.405 4.320 0.000 0.000 0.291 188 K C -0.697 175.666 176.600 -0.396 0.000 1.074 188 K CA -0.020 55.779 56.287 -0.813 0.000 0.936 188 K CB 0.330 32.414 32.500 -0.694 0.000 1.049 188 K HN 0.514 nan 8.250 nan 0.000 0.471 189 S N 5.736 121.246 115.700 -0.317 0.000 2.525 189 S HA 0.082 4.552 4.470 0.000 0.000 0.285 189 S C -1.379 173.144 174.600 -0.130 0.000 1.283 189 S CA -1.147 56.971 58.200 -0.137 0.000 1.072 189 S CB 0.580 63.755 63.200 -0.043 0.000 0.867 189 S HN 0.491 nan 8.310 nan 0.000 0.492 190 P HA -0.001 nan 4.420 nan 0.000 0.251 190 P C -0.255 177.013 177.300 -0.054 0.000 1.251 190 P CA 0.571 63.624 63.100 -0.078 0.000 0.763 190 P CB -0.139 31.524 31.700 -0.061 0.000 1.067 191 E N 0.858 121.040 120.200 -0.030 0.000 2.343 191 E HA 0.282 4.632 4.350 0.000 0.000 0.288 191 E C -2.876 173.754 176.600 0.050 0.000 0.907 191 E CA -2.248 54.154 56.400 0.004 0.000 0.792 191 E CB 2.356 32.073 29.700 0.028 0.000 1.275 191 E HN -0.119 nan 8.360 nan 0.000 0.402 192 P HA 0.011 nan 4.420 nan 0.000 0.271 192 P C 0.842 178.263 177.300 0.202 0.000 1.218 192 P CA -0.290 62.882 63.100 0.120 0.000 0.780 192 P CB 1.191 32.936 31.700 0.076 0.000 0.901 193 L N 2.057 123.424 121.223 0.240 0.000 2.043 193 L HA -0.151 4.189 4.340 0.000 0.000 0.212 193 L C 1.079 178.192 176.870 0.405 0.000 1.075 193 L CA 2.203 57.215 54.840 0.285 0.000 0.752 193 L CB -0.596 41.571 42.059 0.181 0.000 0.891 193 L HN 0.635 nan 8.230 nan 0.000 0.432 194 H N -3.346 115.903 119.070 0.299 0.000 2.950 194 H HA 0.487 5.044 4.556 0.000 0.000 0.272 194 H C -1.556 173.913 175.328 0.235 0.000 1.495 194 H CA -0.447 55.784 56.048 0.305 0.000 1.183 194 H CB 1.095 31.134 29.762 0.461 0.000 1.867 194 H HN 0.024 nan 8.280 nan 0.000 0.597 195 Y N -1.425 118.591 120.300 -0.474 0.000 2.810 195 Y HA 0.534 5.084 4.550 0.000 0.000 0.355 195 Y C -2.362 173.415 175.900 -0.205 0.000 1.211 195 Y CA -1.096 56.677 58.100 -0.546 0.000 1.112 195 Y CB 0.700 38.883 38.460 -0.462 0.000 1.383 195 Y HN 0.613 nan 8.280 nan 0.000 0.458 196 D N 0.801 121.270 120.400 0.116 0.000 2.927 196 D HA 0.318 4.958 4.640 0.000 0.000 0.219 196 D C -1.968 174.475 176.300 0.239 0.000 1.248 196 D CA -0.453 53.687 54.000 0.233 0.000 0.861 196 D CB 1.917 42.998 40.800 0.468 0.000 1.677 196 D HN 0.555 nan 8.370 nan 0.000 0.511 197 D N 0.602 121.124 120.400 0.203 0.000 2.210 197 D HA 0.549 5.189 4.640 0.000 0.000 0.249 197 D C 1.244 177.618 176.300 0.124 0.000 1.062 197 D CA 0.550 54.640 54.000 0.150 0.000 0.891 197 D CB 1.854 42.733 40.800 0.131 0.000 1.186 197 D HN 0.580 nan 8.370 nan 0.000 0.432 198 G N 1.989 110.851 108.800 0.104 0.000 3.642 198 G HA2 -0.258 3.702 3.960 0.000 0.000 0.205 198 G HA3 -0.258 3.702 3.960 0.000 0.000 0.205 198 G C 0.216 175.177 174.900 0.103 0.000 1.526 198 G CA 0.205 45.359 45.100 0.090 0.000 1.097 198 G HN 0.822 nan 8.290 nan 0.000 0.596 199 S N 2.143 117.925 115.700 0.137 0.000 2.552 199 S HA 0.505 4.975 4.470 0.000 0.000 0.289 199 S C 1.384 176.101 174.600 0.195 0.000 1.304 199 S CA 0.890 59.188 58.200 0.164 0.000 1.063 199 S CB 1.100 64.439 63.200 0.233 0.000 0.848 199 S HN 1.876 nan 8.310 nan 0.000 0.499 200 G N 2.412 111.314 108.800 0.169 0.000 2.522 200 G HA2 0.270 4.231 3.960 0.000 0.000 0.223 200 G HA3 0.270 4.231 3.960 0.000 0.000 0.223 200 G C 0.239 175.281 174.900 0.237 0.000 1.565 200 G CA -0.334 44.864 45.100 0.162 0.000 1.053 200 G HN 0.899 nan 8.290 nan 0.000 0.547 201 M N -1.045 118.682 119.600 0.212 0.000 2.247 201 M HA 0.202 4.682 4.480 0.000 0.000 0.318 201 M C -1.295 175.280 176.300 0.459 0.000 1.054 201 M CA -0.026 55.428 55.300 0.256 0.000 1.117 201 M CB 0.225 32.949 32.600 0.207 0.000 1.515 201 M HN 0.327 nan 8.290 nan 0.000 0.442 202 W N 4.726 126.109 121.300 0.138 0.000 2.361 202 W HA 0.512 5.172 4.660 0.000 0.000 0.314 202 W C -0.592 176.016 176.519 0.148 0.000 1.041 202 W CA -0.429 57.006 57.345 0.150 0.000 1.241 202 W CB 0.893 30.449 29.460 0.161 0.000 1.279 202 W HN 0.621 nan 8.180 nan 0.000 0.436 203 Q N 0.668 120.644 119.800 0.294 0.000 2.333 203 Q HA 0.432 4.772 4.340 0.000 0.000 0.266 203 Q C 0.159 176.229 176.000 0.117 0.000 1.053 203 Q CA -0.727 55.189 55.803 0.189 0.000 0.890 203 Q CB 1.734 30.550 28.738 0.131 0.000 1.337 203 Q HN 0.374 nan 8.270 nan 0.000 0.474 204 C N 2.586 121.936 119.300 0.083 0.000 2.769 204 C HA -0.110 4.350 4.460 0.000 0.000 0.222 204 C C -2.041 173.021 174.990 0.120 0.000 1.371 204 C CA -0.528 58.534 59.018 0.072 0.000 2.390 204 C CB -2.349 25.376 27.740 -0.026 0.000 1.523 204 C HN 0.440 nan 8.230 nan 0.000 0.394 205 P HA 0.444 nan 4.420 nan 0.000 0.278 205 P C -0.582 176.865 177.300 0.246 0.000 1.238 205 P CA 0.460 63.683 63.100 0.206 0.000 0.794 205 P CB 1.313 33.185 31.700 0.286 0.000 0.955 206 D N 1.310 121.863 120.400 0.254 0.000 2.964 206 D HA 0.495 5.135 4.640 0.000 0.000 0.234 206 D C -2.132 174.348 176.300 0.300 0.000 1.223 206 D CA -0.411 53.789 54.000 0.333 0.000 0.889 206 D CB 0.936 41.971 40.800 0.391 0.000 1.609 206 D HN 0.070 nan 8.370 nan 0.000 0.523 207 F N 5.255 125.246 119.950 0.068 0.000 2.518 207 F HA 0.711 5.238 4.527 0.000 0.000 0.323 207 F C -1.726 173.970 175.800 -0.174 0.000 1.129 207 F CA -0.770 57.072 58.000 -0.264 0.000 0.920 207 F CB 0.943 39.649 39.000 -0.489 0.000 1.160 207 F HN 0.289 nan 8.300 nan 0.000 0.440 208 F N 5.639 125.156 119.950 -0.721 0.000 2.665 208 F HA 0.762 5.289 4.527 0.000 0.000 0.308 208 F C -3.341 172.009 175.800 -0.749 0.000 1.112 208 F CA -2.425 55.240 58.000 -0.559 0.000 0.972 208 F CB 1.143 40.006 39.000 -0.228 0.000 1.295 208 F HN 0.184 nan 8.300 nan 0.000 0.440 209 P HA 0.566 nan 4.420 nan 0.000 0.282 209 P C -1.320 175.844 177.300 -0.227 0.000 1.259 209 P CA -0.539 62.090 63.100 -0.784 0.000 0.826 209 P CB 2.442 33.715 31.700 -0.712 0.000 1.064 210 V N -2.763 117.020 119.914 -0.217 0.000 2.733 210 V HA 0.463 4.583 4.120 0.000 0.000 0.306 210 V C -0.021 176.035 176.094 -0.064 0.000 1.084 210 V CA -0.691 61.585 62.300 -0.039 0.000 0.905 210 V CB 1.025 32.888 31.823 0.067 0.000 1.010 210 V HN 0.587 nan 8.190 nan 0.000 0.424 211 T N 3.131 117.665 114.554 -0.034 0.000 2.926 211 T HA 0.275 4.625 4.350 0.000 0.000 0.307 211 T C 1.315 175.970 174.700 -0.075 0.000 1.059 211 T CA 0.153 62.226 62.100 -0.045 0.000 1.122 211 T CB 0.634 69.493 68.868 -0.015 0.000 0.972 211 T HN 0.847 nan 8.240 nan 0.000 0.545 212 R N 2.487 122.876 120.500 -0.186 0.000 2.064 212 R HA 0.002 4.342 4.340 0.000 0.000 0.228 212 R C 0.300 176.326 176.300 -0.457 0.000 1.144 212 R CA 1.323 57.155 56.100 -0.446 0.000 0.932 212 R CB -0.147 29.653 30.300 -0.833 0.000 0.833 212 R HN 0.621 nan 8.270 nan 0.000 0.429 213 F N 0.453 120.440 119.950 0.062 0.000 2.310 213 F HA 0.468 4.995 4.527 0.000 0.000 0.365 213 F C 0.325 176.147 175.800 0.035 0.000 1.080 213 F CA -0.666 57.368 58.000 0.058 0.000 1.187 213 F CB 1.825 40.851 39.000 0.042 0.000 1.465 213 F HN 0.071 nan 8.300 nan 0.000 0.496 214 G N 0.088 108.984 108.800 0.160 0.000 2.691 214 G HA2 0.247 4.207 3.960 0.000 0.000 0.298 214 G HA3 0.247 4.207 3.960 0.000 0.000 0.298 214 G C -0.248 174.627 174.900 -0.042 0.000 1.471 214 G CA -0.440 44.692 45.100 0.052 0.000 0.912 214 G HN 0.301 nan 8.290 nan 0.000 0.553 215 S N 0.730 116.310 115.700 -0.200 0.000 2.388 215 S HA 0.074 4.545 4.470 0.000 0.000 0.223 215 S C 1.058 175.360 174.600 -0.496 0.000 1.034 215 S CA 0.405 58.261 58.200 -0.574 0.000 0.963 215 S CB -0.425 62.416 63.200 -0.600 0.000 0.827 215 S HN 0.612 nan 8.310 nan 0.000 0.481 216 N N 1.550 120.098 118.700 -0.254 0.000 2.497 216 N HA 0.293 5.033 4.740 0.000 0.000 0.268 216 N C 0.317 175.807 175.510 -0.034 0.000 1.171 216 N CA -0.080 52.884 53.050 -0.143 0.000 0.948 216 N CB 0.841 39.281 38.487 -0.078 0.000 1.069 216 N HN 0.382 nan 8.380 nan 0.000 0.460 217 G N 0.911 109.729 108.800 0.029 0.000 2.716 217 G HA2 0.247 4.207 3.960 0.000 0.000 0.251 217 G HA3 0.247 4.207 3.960 0.000 0.000 0.251 217 G C 0.034 175.005 174.900 0.118 0.000 1.224 217 G CA -0.377 44.782 45.100 0.098 0.000 0.891 217 G HN 0.321 nan 8.290 nan 0.000 0.561 218 V N -0.323 119.576 119.914 -0.026 0.000 2.881 218 V HA 0.360 4.480 4.120 0.000 0.000 0.316 218 V C 0.591 176.325 176.094 -0.599 0.000 1.070 218 V CA -0.832 61.345 62.300 -0.205 0.000 0.976 218 V CB 1.668 33.402 31.823 -0.147 0.000 1.038 218 V HN 0.940 nan 8.190 nan 0.000 0.446 219 E N 0.660 120.409 120.200 -0.752 0.000 2.435 219 E HA 0.061 4.411 4.350 0.000 0.000 0.254 219 E C 0.575 176.957 176.600 -0.364 0.000 1.289 219 E CA 0.326 56.176 56.400 -0.917 0.000 0.983 219 E CB 0.774 30.180 29.700 -0.490 0.000 1.010 219 E HN 0.779 nan 8.360 nan 0.000 0.509 220 T N -0.088 114.388 114.554 -0.130 0.000 3.054 220 T HA 0.019 4.369 4.350 0.000 0.000 0.259 220 T C 1.022 175.834 174.700 0.186 0.000 1.092 220 T CA 0.401 62.553 62.100 0.088 0.000 1.121 220 T CB 0.213 69.247 68.868 0.276 0.000 0.912 220 T HN 0.161 nan 8.240 nan 0.000 0.489 221 S N 1.518 117.332 115.700 0.191 0.000 2.575 221 S HA 0.238 4.708 4.470 0.000 0.000 0.237 221 S C 0.458 175.222 174.600 0.273 0.000 0.975 221 S CA -0.412 57.962 58.200 0.289 0.000 0.960 221 S CB 0.231 63.599 63.200 0.279 0.000 0.822 221 S HN 0.250 nan 8.310 nan 0.000 0.472 222 S N 3.223 118.985 115.700 0.104 0.000 2.516 222 S HA 0.398 4.868 4.470 0.000 0.000 0.282 222 S C -0.275 174.391 174.600 0.110 0.000 1.286 222 S CA -0.253 57.932 58.200 -0.024 0.000 1.066 222 S CB -0.266 62.878 63.200 -0.093 0.000 0.884 222 S HN 0.490 nan 8.310 nan 0.000 0.491 223 F N -1.131 118.885 119.950 0.111 0.000 2.565 223 F HA 0.735 5.262 4.527 0.000 0.000 0.313 223 F C 0.532 176.400 175.800 0.114 0.000 1.091 223 F CA -1.444 56.644 58.000 0.147 0.000 0.915 223 F CB 0.243 39.338 39.000 0.158 0.000 1.208 223 F HN 0.660 nan 8.300 nan 0.000 0.453 224 G N 2.316 111.284 108.800 0.281 0.000 2.232 224 G HA2 -0.115 3.845 3.960 0.000 0.000 0.240 224 G HA3 -0.115 3.845 3.960 0.000 0.000 0.240 224 G C -0.668 174.277 174.900 0.076 0.000 0.424 224 G CA 0.195 45.404 45.100 0.183 0.000 1.047 224 G HN 0.772 nan 8.290 nan 0.000 0.442 225 E N 2.667 122.873 120.200 0.011 0.000 2.175 225 E HA 0.340 4.691 4.350 0.000 0.000 0.278 225 E C -0.900 175.710 176.600 0.017 0.000 0.969 225 E CA -1.900 54.486 56.400 -0.022 0.000 0.796 225 E CB 1.704 31.365 29.700 -0.065 0.000 1.104 225 E HN 0.243 nan 8.360 nan 0.000 0.395 226 P HA -0.125 nan 4.420 nan 0.000 0.226 226 P C -0.060 177.258 177.300 0.030 0.000 1.153 226 P CA 1.084 64.204 63.100 0.033 0.000 0.777 226 P CB 0.505 32.225 31.700 0.034 0.000 0.794 227 N N 0.160 118.873 118.700 0.021 0.000 2.420 227 N HA -0.026 4.715 4.740 0.000 0.000 0.185 227 N C 0.931 176.460 175.510 0.030 0.000 1.033 227 N CA 0.149 53.214 53.050 0.025 0.000 0.879 227 N CB -0.346 38.151 38.487 0.017 0.000 1.071 227 N HN 0.222 nan 8.380 nan 0.000 0.437 228 E N 0.685 120.895 120.200 0.017 0.000 2.343 228 E HA 0.262 4.612 4.350 0.000 0.000 0.269 228 E C -0.732 175.880 176.600 0.020 0.000 1.047 228 E CA -0.524 55.887 56.400 0.018 0.000 0.874 228 E CB 0.819 30.516 29.700 -0.004 0.000 1.033 228 E HN 0.044 nan 8.360 nan 0.000 0.409 229 I N 5.539 126.119 120.570 0.017 0.000 2.354 229 I HA 0.252 4.423 4.170 0.000 0.000 0.286 229 I C -0.216 175.887 176.117 -0.022 0.000 1.007 229 I CA -0.425 60.879 61.300 0.006 0.000 1.167 229 I CB 0.542 38.541 38.000 -0.002 0.000 1.320 229 I HN 0.591 nan 8.210 nan 0.000 0.458 230 L N 5.530 126.758 121.223 0.009 0.000 2.352 230 L HA 0.546 4.886 4.340 0.000 0.000 0.269 230 L C 0.025 176.917 176.870 0.038 0.000 1.034 230 L CA -0.665 54.175 54.840 -0.000 0.000 0.806 230 L CB 1.694 43.772 42.059 0.032 0.000 1.244 230 L HN 0.447 nan 8.230 nan 0.000 0.447 231 K N -0.413 119.975 120.400 -0.021 0.000 2.439 231 K HA 0.593 4.913 4.320 0.000 0.000 0.260 231 K C -1.612 174.930 176.600 -0.097 0.000 1.032 231 K CA -0.743 55.576 56.287 0.052 0.000 0.882 231 K CB 1.584 34.080 32.500 -0.006 0.000 1.420 231 K HN 0.407 nan 8.250 nan 0.000 0.455 232 H N -1.232 117.828 119.070 -0.016 0.000 2.768 232 H HA 0.608 5.164 4.556 0.000 0.000 0.371 232 H C -1.362 173.809 175.328 -0.261 0.000 1.151 232 H CA -0.692 55.216 56.048 -0.233 0.000 1.165 232 H CB 1.842 31.509 29.762 -0.158 0.000 1.722 232 H HN 0.116 nan 8.280 nan 0.000 0.543 233 V N 3.527 122.980 119.914 -0.768 0.000 2.409 233 V HA 0.237 4.357 4.120 0.000 0.000 0.290 233 V C -0.894 174.628 176.094 -0.953 0.000 1.017 233 V CA -0.700 61.153 62.300 -0.745 0.000 0.841 233 V CB 1.538 32.834 31.823 -0.878 0.000 1.003 233 V HN 0.459 nan 8.190 nan 0.000 0.426 234 L N 5.615 126.465 121.223 -0.622 0.000 2.287 234 L HA 0.691 5.032 4.340 0.000 0.000 0.287 234 L C -0.330 176.442 176.870 -0.163 0.000 1.022 234 L CA 0.134 54.766 54.840 -0.346 0.000 0.814 234 L CB 1.085 42.892 42.059 -0.421 0.000 1.217 234 L HN 0.612 nan 8.230 nan 0.000 0.420 235 K N 6.004 126.367 120.400 -0.060 0.000 2.316 235 K HA 0.645 4.965 4.320 0.000 0.000 0.251 235 K C -1.535 175.047 176.600 -0.029 0.000 0.934 235 K CA -0.656 55.613 56.287 -0.030 0.000 0.802 235 K CB 1.823 34.349 32.500 0.044 0.000 1.171 235 K HN 0.712 nan 8.250 nan 0.000 0.426 236 I N -0.839 119.666 120.570 -0.109 0.000 2.692 236 I HA 0.337 4.507 4.170 0.000 0.000 0.293 236 I C -0.997 175.091 176.117 -0.049 0.000 1.200 236 I CA -0.256 60.970 61.300 -0.123 0.000 1.036 236 I CB 2.342 40.081 38.000 -0.436 0.000 1.258 236 I HN 0.323 nan 8.210 nan 0.000 0.421 237 S N 5.915 121.617 115.700 0.004 0.000 2.474 237 S HA 0.539 5.009 4.470 0.000 0.000 0.276 237 S C -0.146 174.558 174.600 0.174 0.000 1.227 237 S CA -0.318 57.907 58.200 0.042 0.000 1.050 237 S CB 0.389 63.409 63.200 -0.301 0.000 0.939 237 S HN 0.555 nan 8.310 nan 0.000 0.490 238 L N 3.718 125.127 121.223 0.311 0.000 2.439 238 L HA 0.282 4.622 4.340 0.000 0.000 0.261 238 L C 1.330 178.394 176.870 0.323 0.000 1.153 238 L CA 0.238 55.239 54.840 0.268 0.000 0.808 238 L CB 0.676 42.864 42.059 0.215 0.000 1.126 238 L HN 0.691 nan 8.230 nan 0.000 0.460 239 D N -0.034 120.506 120.400 0.233 0.000 2.255 239 D HA -0.130 4.510 4.640 0.000 0.000 0.224 239 D C 0.993 177.338 176.300 0.074 0.000 0.997 239 D CA 1.320 55.431 54.000 0.185 0.000 0.906 239 D CB -0.695 40.203 40.800 0.164 0.000 1.047 239 D HN 0.656 nan 8.370 nan 0.000 0.458 240 D N -0.183 120.251 120.400 0.056 0.000 2.392 240 D HA -0.068 4.572 4.640 0.000 0.000 0.228 240 D C 1.530 177.798 176.300 -0.053 0.000 1.003 240 D CA 1.396 55.399 54.000 0.006 0.000 0.917 240 D CB -0.169 40.647 40.800 0.027 0.000 0.890 240 D HN 0.449 nan 8.370 nan 0.000 0.532 241 T N -3.491 111.008 114.554 -0.093 0.000 2.955 241 T HA 0.087 4.437 4.350 0.000 0.000 0.251 241 T C 0.868 175.234 174.700 -0.557 0.000 1.002 241 T CA -0.438 61.495 62.100 -0.278 0.000 0.970 241 T CB 0.030 68.790 68.868 -0.180 0.000 1.091 241 T HN -0.120 nan 8.240 nan 0.000 0.495 242 K N 1.791 122.000 120.400 -0.317 0.000 3.125 242 K HA -0.147 4.173 4.320 0.000 0.000 0.268 242 K C -0.756 175.711 176.600 -0.222 0.000 1.078 242 K CA 0.684 56.680 56.287 -0.485 0.000 0.775 242 K CB -2.210 30.016 32.500 -0.457 0.000 1.253 242 K HN 0.819 nan 8.250 nan 0.000 0.486 243 H N -1.310 117.866 119.070 0.176 0.000 2.906 243 H HA 0.456 5.013 4.556 0.000 0.000 0.337 243 H C -0.756 174.699 175.328 0.212 0.000 1.257 243 H CA -1.256 54.866 56.048 0.123 0.000 1.192 243 H CB 1.659 31.393 29.762 -0.046 0.000 1.912 243 H HN -0.110 nan 8.280 nan 0.000 0.573 244 D N 0.659 121.088 120.400 0.048 0.000 2.593 244 D HA 0.226 4.866 4.640 0.000 0.000 0.251 244 D C -1.287 174.785 176.300 -0.381 0.000 1.140 244 D CA -0.296 53.708 54.000 0.008 0.000 0.855 244 D CB 1.403 42.307 40.800 0.173 0.000 1.267 244 D HN 0.289 nan 8.370 nan 0.000 0.532 245 Y N 1.587 121.821 120.300 -0.109 0.000 2.409 245 Y HA 0.424 4.974 4.550 0.000 0.000 0.343 245 Y C 0.112 175.855 175.900 -0.262 0.000 0.973 245 Y CA -1.082 56.883 58.100 -0.225 0.000 1.064 245 Y CB 1.235 39.583 38.460 -0.186 0.000 1.207 245 Y HN 0.304 nan 8.280 nan 0.000 0.452 246 Y N -1.074 119.091 120.300 -0.225 0.000 2.773 246 Y HA 0.931 5.481 4.550 0.000 0.000 0.323 246 Y C -0.423 175.401 175.900 -0.127 0.000 1.183 246 Y CA -1.288 56.657 58.100 -0.257 0.000 1.144 246 Y CB 1.769 39.976 38.460 -0.422 0.000 1.340 246 Y HN 0.555 nan 8.280 nan 0.000 0.531 247 T N 0.102 114.688 114.554 0.053 0.000 2.977 247 T HA 0.584 4.934 4.350 0.000 0.000 0.345 247 T C -1.850 172.994 174.700 0.240 0.000 1.562 247 T CA -0.650 61.481 62.100 0.052 0.000 1.090 247 T CB 0.758 69.695 68.868 0.116 0.000 1.383 247 T HN 0.780 nan 8.240 nan 0.000 0.484 248 I N 2.867 123.559 120.570 0.204 0.000 2.562 248 I HA 0.825 4.995 4.170 0.000 0.000 0.301 248 I C 1.053 177.310 176.117 0.234 0.000 1.003 248 I CA -0.509 60.936 61.300 0.241 0.000 1.127 248 I CB 1.878 39.950 38.000 0.121 0.000 1.304 248 I HN 1.038 nan 8.210 nan 0.000 0.446 249 G N 3.076 112.037 108.800 0.267 0.000 2.619 249 G HA2 0.517 4.477 3.960 0.000 0.000 0.146 249 G HA3 0.517 4.477 3.960 0.000 0.000 0.146 249 G C -1.087 173.868 174.900 0.092 0.000 1.192 249 G CA -0.205 44.881 45.100 -0.023 0.000 1.063 249 G HN 0.494 nan 8.290 nan 0.000 0.538 250 T N -1.196 113.333 114.554 -0.041 0.000 2.831 250 T HA 0.587 4.937 4.350 0.000 0.000 0.287 250 T C -1.855 172.972 174.700 0.212 0.000 1.070 250 T CA -0.315 61.859 62.100 0.122 0.000 1.010 250 T CB 2.335 71.230 68.868 0.044 0.000 1.264 250 T HN 0.845 nan 8.240 nan 0.000 0.532 251 Y N 1.586 121.897 120.300 0.018 0.000 2.609 251 Y HA 0.378 4.928 4.550 0.000 0.000 0.350 251 Y C -0.946 174.982 175.900 0.046 0.000 1.050 251 Y CA -1.442 56.688 58.100 0.049 0.000 1.290 251 Y CB 0.443 38.814 38.460 -0.148 0.000 1.094 251 Y HN 0.610 nan 8.280 nan 0.000 0.583 252 D N 4.611 124.872 120.400 -0.231 0.000 2.368 252 D HA 0.050 4.690 4.640 0.000 0.000 0.268 252 D C 0.972 176.939 176.300 -0.554 0.000 1.298 252 D CA 0.342 54.182 54.000 -0.266 0.000 0.938 252 D CB 0.893 41.613 40.800 -0.133 0.000 1.101 252 D HN 0.757 nan 8.370 nan 0.000 0.509 253 R N 2.614 122.819 120.500 -0.492 0.000 2.193 253 R HA -0.082 4.258 4.340 0.000 0.000 0.229 253 R C 1.807 177.973 176.300 -0.222 0.000 1.110 253 R CA 0.526 56.363 56.100 -0.438 0.000 0.988 253 R CB -0.235 29.996 30.300 -0.115 0.000 0.871 253 R HN 0.317 nan 8.270 nan 0.000 0.458 254 V N 1.830 121.648 119.914 -0.159 0.000 2.216 254 V HA -0.243 3.878 4.120 0.000 0.000 0.242 254 V C 1.778 177.830 176.094 -0.071 0.000 1.042 254 V CA 1.778 64.027 62.300 -0.085 0.000 0.991 254 V CB -0.339 31.449 31.823 -0.058 0.000 0.633 254 V HN 0.250 nan 8.190 nan 0.000 0.449 255 K N 0.000 120.358 120.400 -0.070 0.000 2.551 255 K HA 0.004 4.325 4.320 0.000 0.000 0.192 255 K C 0.053 176.647 176.600 -0.010 0.000 1.027 255 K CA 0.450 56.721 56.287 -0.027 0.000 1.059 255 K CB -0.222 32.275 32.500 -0.004 0.000 0.831 255 K HN 0.540 nan 8.250 nan 0.000 0.508 256 D N 1.040 121.393 120.400 -0.079 0.000 2.737 256 D HA -0.233 4.407 4.640 0.000 0.000 0.233 256 D C -0.168 176.228 176.300 0.162 0.000 1.155 256 D CA 1.207 55.214 54.000 0.012 0.000 0.667 256 D CB -0.910 39.980 40.800 0.150 0.000 1.060 256 D HN 0.369 nan 8.370 nan 0.000 0.427 257 K N -0.253 120.192 120.400 0.076 0.000 2.208 257 K HA 0.486 4.807 4.320 0.000 0.000 0.247 257 K C -0.816 175.988 176.600 0.339 0.000 0.953 257 K CA -0.815 55.605 56.287 0.221 0.000 0.837 257 K CB 1.202 33.798 32.500 0.161 0.000 1.131 257 K HN -0.106 nan 8.250 nan 0.000 0.431 258 F N 3.528 123.627 119.950 0.249 0.000 2.410 258 F HA 0.359 4.887 4.527 0.000 0.000 0.349 258 F C -1.045 174.840 175.800 0.142 0.000 1.117 258 F CA -0.676 57.470 58.000 0.243 0.000 1.104 258 F CB 1.152 40.279 39.000 0.212 0.000 1.122 258 F HN 0.089 nan 8.300 nan 0.000 0.483 259 V N 8.723 128.268 119.914 -0.615 0.000 2.293 259 V HA 0.326 4.447 4.120 0.000 0.000 0.275 259 V C -2.062 173.549 176.094 -0.805 0.000 1.021 259 V CA -1.730 60.257 62.300 -0.521 0.000 0.815 259 V CB 0.719 32.416 31.823 -0.211 0.000 1.025 259 V HN 0.632 nan 8.190 nan 0.000 0.448 260 P HA 0.115 nan 4.420 nan 0.000 0.270 260 P C -0.422 176.795 177.300 -0.138 0.000 1.223 260 P CA -0.206 62.637 63.100 -0.428 0.000 0.785 260 P CB 0.997 32.590 31.700 -0.178 0.000 0.923 261 D N 0.527 120.934 120.400 0.011 0.000 2.382 261 D HA -0.005 4.636 4.640 0.000 0.000 0.240 261 D C 0.516 176.920 176.300 0.174 0.000 1.146 261 D CA 0.177 54.234 54.000 0.095 0.000 0.897 261 D CB 0.018 40.900 40.800 0.137 0.000 1.197 261 D HN 0.455 nan 8.370 nan 0.000 0.432 262 N N 0.208 118.967 118.700 0.099 0.000 2.822 262 N HA -0.175 4.565 4.740 0.000 0.000 0.307 262 N C 0.579 176.047 175.510 -0.069 0.000 1.153 262 N CA 0.263 53.334 53.050 0.035 0.000 0.852 262 N CB -0.803 37.709 38.487 0.041 0.000 1.039 262 N HN 0.662 nan 8.380 nan 0.000 0.597 263 G N 0.930 109.673 108.800 -0.095 0.000 2.381 263 G HA2 -0.236 3.724 3.960 0.000 0.000 0.281 263 G HA3 -0.236 3.724 3.960 0.000 0.000 0.281 263 G C -0.765 173.890 174.900 -0.409 0.000 0.984 263 G CA -0.237 44.735 45.100 -0.214 0.000 1.339 263 G HN 0.633 nan 8.290 nan 0.000 0.485 264 F N 1.171 121.122 119.950 0.002 0.000 2.915 264 F HA 0.401 4.929 4.527 0.000 0.000 0.350 264 F C 0.372 176.181 175.800 0.016 0.000 1.248 264 F CA -1.216 56.789 58.000 0.009 0.000 1.084 264 F CB 1.384 40.385 39.000 0.002 0.000 1.391 264 F HN 0.062 nan 8.300 nan 0.000 0.548 265 K N 2.744 123.284 120.400 0.233 0.000 2.155 265 K HA 0.408 4.728 4.320 0.000 0.000 0.237 265 K C 1.017 177.725 176.600 0.180 0.000 1.040 265 K CA -0.486 55.922 56.287 0.201 0.000 0.912 265 K CB 0.759 33.355 32.500 0.160 0.000 1.137 265 K HN 0.638 nan 8.250 nan 0.000 0.498 266 M N 0.995 120.709 119.600 0.189 0.000 2.561 266 M HA -0.023 4.457 4.480 0.000 0.000 0.238 266 M C -0.330 175.933 176.300 -0.062 0.000 1.131 266 M CA 0.740 56.083 55.300 0.071 0.000 1.046 266 M CB -0.085 32.554 32.600 0.064 0.000 1.532 266 M HN 0.441 nan 8.290 nan 0.000 0.497 267 D N -1.044 119.342 120.400 -0.025 0.000 2.861 267 D HA 0.446 5.086 4.640 0.000 0.000 0.216 267 D C 0.228 176.514 176.300 -0.023 0.000 1.323 267 D CA 0.053 53.956 54.000 -0.161 0.000 0.917 267 D CB 1.531 42.232 40.800 -0.165 0.000 1.582 267 D HN 0.188 nan 8.370 nan 0.000 0.576 268 G N 1.944 110.744 108.800 -0.000 0.000 3.134 268 G HA2 -0.193 3.767 3.960 0.000 0.000 0.195 268 G HA3 -0.193 3.767 3.960 0.000 0.000 0.195 268 G C 0.597 175.575 174.900 0.130 0.000 1.054 268 G CA 0.409 45.550 45.100 0.069 0.000 0.828 268 G HN 1.068 nan 8.290 nan 0.000 0.462 269 T N -1.886 112.774 114.554 0.175 0.000 3.488 269 T HA 0.683 5.033 4.350 0.000 0.000 0.312 269 T C 0.570 175.424 174.700 0.256 0.000 0.931 269 T CA 1.273 63.531 62.100 0.263 0.000 0.982 269 T CB 0.509 69.575 68.868 0.331 0.000 1.198 269 T HN 1.643 nan 8.240 nan 0.000 0.545 270 A N 3.786 126.714 122.820 0.179 0.000 2.409 270 A HA 0.646 4.967 4.320 0.000 0.000 0.262 270 A C -2.103 175.511 177.584 0.051 0.000 1.113 270 A CA -1.322 50.761 52.037 0.076 0.000 0.790 270 A CB 0.044 19.109 19.000 0.109 0.000 1.046 270 A HN 0.351 nan 8.150 nan 0.000 0.496 271 P HA 0.257 nan 4.420 nan 0.000 0.275 271 P C -0.704 176.262 177.300 -0.556 0.000 1.228 271 P CA -0.175 62.737 63.100 -0.313 0.000 0.786 271 P CB 0.857 32.287 31.700 -0.450 0.000 0.927 272 R N 1.333 121.478 120.500 -0.592 0.000 2.598 272 R HA 0.275 4.615 4.340 0.000 0.000 0.279 272 R C 0.944 177.095 176.300 -0.248 0.000 0.984 272 R CA -0.569 55.058 56.100 -0.789 0.000 0.999 272 R CB 0.417 29.855 30.300 -1.436 0.000 1.114 272 R HN 0.434 nan 8.270 nan 0.000 0.493 273 Y N 0.169 120.414 120.300 -0.092 0.000 2.163 273 Y HA -0.097 4.453 4.550 0.000 0.000 0.288 273 Y C 0.798 176.514 175.900 -0.307 0.000 1.136 273 Y CA 1.285 59.354 58.100 -0.051 0.000 1.147 273 Y CB 0.269 38.758 38.460 0.048 0.000 0.987 273 Y HN 0.456 nan 8.280 nan 0.000 0.509 274 D N -1.714 118.484 120.400 -0.337 0.000 2.757 274 D HA 0.101 4.741 4.640 0.000 0.000 0.249 274 D C -1.357 174.614 176.300 -0.548 0.000 1.168 274 D CA -0.600 53.082 54.000 -0.529 0.000 0.870 274 D CB 0.946 41.127 40.800 -1.032 0.000 1.411 274 D HN 0.031 nan 8.370 nan 0.000 0.525 275 Y N 2.032 122.109 120.300 -0.371 0.000 2.881 275 Y HA 0.377 4.927 4.550 0.000 0.000 0.369 275 Y C 1.241 176.867 175.900 -0.456 0.000 1.066 275 Y CA -0.184 57.697 58.100 -0.365 0.000 1.616 275 Y CB 0.851 39.146 38.460 -0.276 0.000 1.436 275 Y HN 0.445 nan 8.280 nan 0.000 0.505 276 G N -0.283 108.164 108.800 -0.589 0.000 3.000 276 G HA2 0.204 4.164 3.960 0.000 0.000 0.170 276 G HA3 0.204 4.164 3.960 0.000 0.000 0.170 276 G C -1.248 173.091 174.900 -0.934 0.000 1.160 276 G CA -0.952 43.366 45.100 -1.304 0.000 0.945 276 G HN -0.074 nan 8.290 nan 0.000 0.593 277 K N 0.513 120.406 120.400 -0.845 0.000 2.127 277 K HA 0.516 4.836 4.320 0.000 0.000 0.261 277 K C -1.719 174.806 176.600 -0.125 0.000 1.129 277 K CA -0.201 55.879 56.287 -0.346 0.000 0.993 277 K CB -0.706 31.653 32.500 -0.235 0.000 1.410 277 K HN 0.330 nan 8.250 nan 0.000 0.380 278 Y N 2.530 122.687 120.300 -0.238 0.000 2.512 278 Y HA 0.539 5.089 4.550 0.000 0.000 0.348 278 Y C -1.445 174.515 175.900 0.101 0.000 0.990 278 Y CA -1.159 56.873 58.100 -0.114 0.000 1.033 278 Y CB 1.410 39.806 38.460 -0.107 0.000 1.259 278 Y HN 0.462 nan 8.280 nan 0.000 0.461 279 Y N 1.323 121.475 120.300 -0.247 0.000 2.732 279 Y HA 0.461 5.011 4.550 0.000 0.000 0.342 279 Y C 0.133 176.097 175.900 0.106 0.000 1.203 279 Y CA -0.672 57.421 58.100 -0.011 0.000 1.092 279 Y CB 1.307 39.799 38.460 0.054 0.000 1.345 279 Y HN 0.785 nan 8.280 nan 0.000 0.458 280 A N 1.249 123.807 122.820 -0.437 0.000 2.829 280 A HA -0.192 4.128 4.320 0.000 0.000 0.267 280 A C 0.499 178.041 177.584 -0.070 0.000 1.370 280 A CA 1.179 53.058 52.037 -0.263 0.000 0.900 280 A CB -2.535 16.453 19.000 -0.020 0.000 1.044 280 A HN 1.825 nan 8.150 nan 0.000 0.691 281 S N -0.903 114.767 115.700 -0.050 0.000 2.558 281 S HA 0.443 4.913 4.470 0.000 0.000 0.287 281 S C -0.170 174.528 174.600 0.163 0.000 1.321 281 S CA 0.874 59.103 58.200 0.048 0.000 1.048 281 S CB 1.271 64.584 63.200 0.189 0.000 0.844 281 S HN 1.386 nan 8.310 nan 0.000 0.512 282 K N 0.384 120.901 120.400 0.196 0.000 2.562 282 K HA 0.473 4.793 4.320 0.000 0.000 0.267 282 K C -0.619 176.140 176.600 0.264 0.000 0.938 282 K CA -0.379 56.051 56.287 0.238 0.000 0.840 282 K CB 1.740 34.361 32.500 0.201 0.000 1.390 282 K HN 0.934 nan 8.250 nan 0.000 0.428 283 T N -0.914 113.776 114.554 0.226 0.000 2.870 283 T HA 0.840 5.190 4.350 0.000 0.000 0.277 283 T C -0.612 174.293 174.700 0.342 0.000 1.000 283 T CA -0.643 61.544 62.100 0.146 0.000 0.982 283 T CB 0.832 69.552 68.868 -0.247 0.000 1.249 283 T HN 0.675 nan 8.240 nan 0.000 0.589 284 F N -0.943 119.088 119.950 0.136 0.000 2.704 284 F HA 0.617 5.144 4.527 0.000 0.000 0.312 284 F C -2.307 173.647 175.800 0.256 0.000 1.108 284 F CA -2.131 56.012 58.000 0.238 0.000 1.005 284 F CB 0.647 39.830 39.000 0.306 0.000 1.277 284 F HN 0.682 nan 8.300 nan 0.000 0.445 285 F N 4.881 124.867 119.950 0.060 0.000 2.424 285 F HA 0.342 4.869 4.527 0.000 0.000 0.356 285 F C 0.167 175.980 175.800 0.022 0.000 1.110 285 F CA -0.449 57.503 58.000 -0.080 0.000 1.161 285 F CB 0.373 39.430 39.000 0.096 0.000 1.115 285 F HN 0.653 nan 8.300 nan 0.000 0.507 286 D N 4.387 124.358 120.400 -0.716 0.000 2.339 286 D HA 0.071 4.711 4.640 0.000 0.000 0.241 286 D C 0.560 176.407 176.300 -0.756 0.000 1.183 286 D CA 0.168 53.951 54.000 -0.361 0.000 0.859 286 D CB 1.512 42.167 40.800 -0.242 0.000 1.067 286 D HN 0.651 nan 8.370 nan 0.000 0.484 287 S N 2.874 118.335 115.700 -0.397 0.000 2.355 287 S HA -0.134 4.336 4.470 0.000 0.000 0.222 287 S C 1.996 176.484 174.600 -0.188 0.000 1.031 287 S CA 1.066 59.072 58.200 -0.324 0.000 0.993 287 S CB -0.018 63.172 63.200 -0.016 0.000 0.859 287 S HN 0.699 nan 8.310 nan 0.000 0.453 288 A N 1.894 124.658 122.820 -0.094 0.000 1.883 288 A HA -0.123 4.197 4.320 0.000 0.000 0.217 288 A C 1.911 179.461 177.584 -0.057 0.000 1.186 288 A CA 1.390 53.395 52.037 -0.053 0.000 0.624 288 A CB -0.226 18.759 19.000 -0.024 0.000 0.822 288 A HN 0.311 nan 8.150 nan 0.000 0.444 289 K N -1.643 118.713 120.400 -0.073 0.000 2.353 289 K HA 0.094 4.414 4.320 0.000 0.000 0.195 289 K C 0.238 176.769 176.600 -0.115 0.000 1.031 289 K CA 0.457 56.696 56.287 -0.080 0.000 1.079 289 K CB -0.041 32.419 32.500 -0.067 0.000 0.857 289 K HN 0.520 nan 8.250 nan 0.000 0.535 290 N N 1.702 120.293 118.700 -0.182 0.000 2.776 290 N HA -0.182 4.558 4.740 0.000 0.000 0.249 290 N C -0.747 174.718 175.510 -0.075 0.000 1.111 290 N CA 0.624 53.602 53.050 -0.120 0.000 0.711 290 N CB -0.633 37.853 38.487 -0.001 0.000 1.065 290 N HN 0.472 nan 8.380 nan 0.000 0.556 291 R N -0.861 119.521 120.500 -0.197 0.000 2.919 291 R HA 0.622 4.962 4.340 0.000 0.000 0.260 291 R C -0.598 175.593 176.300 -0.182 0.000 1.067 291 R CA -1.102 54.913 56.100 -0.142 0.000 1.003 291 R CB 1.184 31.382 30.300 -0.171 0.000 1.192 291 R HN 0.194 nan 8.270 nan 0.000 0.488 292 R N 1.671 122.088 120.500 -0.138 0.000 2.310 292 R HA 0.323 4.663 4.340 0.000 0.000 0.324 292 R C -1.069 175.045 176.300 -0.311 0.000 0.955 292 R CA -0.669 55.294 56.100 -0.229 0.000 0.830 292 R CB 0.810 31.011 30.300 -0.166 0.000 1.154 292 R HN 0.524 nan 8.270 nan 0.000 0.458 293 I N 4.850 125.110 120.570 -0.517 0.000 2.396 293 I HA 0.235 4.405 4.170 0.000 0.000 0.292 293 I C -0.277 175.705 176.117 -0.226 0.000 0.999 293 I CA -0.338 60.735 61.300 -0.378 0.000 1.310 293 I CB 1.550 39.348 38.000 -0.337 0.000 1.404 293 I HN 0.542 nan 8.210 nan 0.000 0.496 294 L N 6.342 127.421 121.223 -0.241 0.000 2.316 294 L HA 0.509 4.849 4.340 0.000 0.000 0.280 294 L C -1.568 175.220 176.870 -0.137 0.000 1.006 294 L CA -0.295 54.444 54.840 -0.169 0.000 0.836 294 L CB 0.490 42.376 42.059 -0.289 0.000 1.221 294 L HN 0.517 nan 8.230 nan 0.000 0.418 295 W N 3.864 125.175 121.300 0.019 0.000 2.417 295 W HA 0.715 5.375 4.660 0.000 0.000 0.317 295 W C 0.517 176.995 176.519 -0.067 0.000 1.121 295 W CA -0.318 57.034 57.345 0.012 0.000 1.208 295 W CB 1.969 31.443 29.460 0.022 0.000 1.253 295 W HN 0.607 nan 8.180 nan 0.000 0.533 296 G N 1.876 110.747 108.800 0.119 0.000 2.701 296 G HA2 0.273 4.233 3.960 0.000 0.000 0.300 296 G HA3 0.273 4.233 3.960 0.000 0.000 0.300 296 G C -1.039 173.776 174.900 -0.142 0.000 1.410 296 G CA -0.717 44.168 45.100 -0.360 0.000 1.014 296 G HN 0.706 nan 8.290 nan 0.000 0.509 297 W N 3.013 124.135 121.300 -0.298 0.000 2.463 297 W HA 0.188 4.848 4.660 0.000 0.000 0.316 297 W C 0.805 177.248 176.519 -0.127 0.000 1.170 297 W CA 1.747 58.999 57.345 -0.155 0.000 1.355 297 W CB -0.337 29.068 29.460 -0.092 0.000 1.159 297 W HN 0.868 nan 8.180 nan 0.000 0.487 298 T N 2.695 116.852 114.554 -0.663 0.000 1.451 298 T HA -0.216 4.134 4.350 0.000 0.000 0.669 298 T C -0.226 173.841 174.700 -1.054 0.000 0.957 298 T CA 0.247 61.941 62.100 -0.676 0.000 3.547 298 T CB -1.489 67.202 68.868 -0.294 0.000 2.038 298 T HN 0.402 nan 8.240 nan 0.000 0.411 299 N N 1.271 119.308 118.700 -1.106 0.000 2.179 299 N HA 0.066 4.806 4.740 0.000 0.000 0.219 299 N C 0.491 175.811 175.510 -0.316 0.000 1.352 299 N CA 0.353 52.924 53.050 -0.798 0.000 0.856 299 N CB 0.289 38.508 38.487 -0.446 0.000 1.040 299 N HN 0.786 nan 8.380 nan 0.000 0.436 300 E N -1.030 119.112 120.200 -0.097 0.000 2.145 300 E HA 0.316 4.666 4.350 0.000 0.000 0.262 300 E C -0.424 176.225 176.600 0.081 0.000 0.883 300 E CA -0.213 56.223 56.400 0.060 0.000 0.748 300 E CB 0.615 30.359 29.700 0.073 0.000 1.140 300 E HN 0.323 nan 8.360 nan 0.000 0.417 301 S N 1.737 117.557 115.700 0.199 0.000 2.603 301 S HA -0.026 4.444 4.470 0.000 0.000 0.229 301 S C 0.515 175.159 174.600 0.074 0.000 0.972 301 S CA 0.421 58.739 58.200 0.196 0.000 0.935 301 S CB -0.282 63.079 63.200 0.269 0.000 0.769 301 S HN 0.580 nan 8.310 nan 0.000 0.536 302 S N 1.637 117.205 115.700 -0.221 0.000 2.617 302 S HA 0.518 4.988 4.470 0.000 0.000 0.283 302 S C 0.250 174.695 174.600 -0.258 0.000 1.189 302 S CA -0.775 57.094 58.200 -0.553 0.000 1.036 302 S CB 1.320 63.865 63.200 -1.093 0.000 1.014 302 S HN 0.290 nan 8.310 nan 0.000 0.522 303 S N 1.874 117.446 115.700 -0.213 0.000 2.568 303 S HA 0.087 4.557 4.470 0.000 0.000 0.282 303 S C 1.303 175.839 174.600 -0.107 0.000 1.338 303 S CA -0.499 57.631 58.200 -0.118 0.000 1.045 303 S CB 0.310 63.451 63.200 -0.098 0.000 0.873 303 S HN 0.768 nan 8.310 nan 0.000 0.516 304 V N 2.258 122.145 119.914 -0.045 0.000 2.392 304 V HA -0.201 3.919 4.120 0.000 0.000 0.249 304 V C 2.716 178.782 176.094 -0.046 0.000 1.059 304 V CA 2.394 64.685 62.300 -0.015 0.000 1.051 304 V CB -1.440 30.392 31.823 0.015 0.000 0.658 304 V HN 1.079 nan 8.190 nan 0.000 0.455 305 E N -0.108 120.059 120.200 -0.055 0.000 2.273 305 E HA -0.284 4.066 4.350 0.000 0.000 0.198 305 E C 1.787 178.336 176.600 -0.085 0.000 1.002 305 E CA 1.581 57.947 56.400 -0.057 0.000 0.828 305 E CB -0.095 29.575 29.700 -0.050 0.000 0.747 305 E HN 0.623 nan 8.360 nan 0.000 0.491 306 D N 0.161 120.484 120.400 -0.129 0.000 2.162 306 D HA -0.102 4.538 4.640 0.000 0.000 0.205 306 D C 1.304 177.461 176.300 -0.237 0.000 0.964 306 D CA 0.872 54.760 54.000 -0.187 0.000 0.847 306 D CB -0.088 40.551 40.800 -0.269 0.000 0.988 306 D HN 0.218 nan 8.370 nan 0.000 0.480 307 D N 0.441 120.713 120.400 -0.213 0.000 2.182 307 D HA -0.114 4.526 4.640 0.000 0.000 0.201 307 D C 2.185 178.412 176.300 -0.121 0.000 0.986 307 D CA 0.471 54.349 54.000 -0.203 0.000 0.847 307 D CB -0.133 40.660 40.800 -0.012 0.000 0.942 307 D HN 0.136 nan 8.370 nan 0.000 0.467 308 V N 0.462 120.331 119.914 -0.074 0.000 2.591 308 V HA -0.130 3.991 4.120 0.000 0.000 0.249 308 V C 2.329 178.391 176.094 -0.054 0.000 1.053 308 V CA 1.301 63.577 62.300 -0.040 0.000 1.068 308 V CB -0.312 31.496 31.823 -0.026 0.000 0.689 308 V HN 0.150 nan 8.190 nan 0.000 0.462 309 E N 1.109 121.257 120.200 -0.086 0.000 2.086 309 E HA -0.157 4.193 4.350 0.000 0.000 0.190 309 E C 2.182 178.730 176.600 -0.086 0.000 0.975 309 E CA 0.774 57.131 56.400 -0.072 0.000 0.813 309 E CB 0.054 29.712 29.700 -0.069 0.000 0.768 309 E HN 0.730 nan 8.360 nan 0.000 0.457 310 K N -0.872 119.417 120.400 -0.185 0.000 2.486 310 K HA 0.101 4.421 4.320 0.000 0.000 0.194 310 K C 1.267 177.782 176.600 -0.142 0.000 1.033 310 K CA 0.850 56.999 56.287 -0.230 0.000 1.004 310 K CB 0.285 32.446 32.500 -0.566 0.000 0.798 310 K HN 0.213 nan 8.250 nan 0.000 0.495 311 G N 1.335 110.079 108.800 -0.094 0.000 2.184 311 G HA2 -0.242 3.718 3.960 0.000 0.000 0.264 311 G HA3 -0.242 3.718 3.960 0.000 0.000 0.264 311 G C -0.217 174.797 174.900 0.190 0.000 0.975 311 G CA 0.639 45.781 45.100 0.069 0.000 0.642 311 G HN 0.568 nan 8.290 nan 0.000 0.536 312 W N -1.233 120.123 121.300 0.093 0.000 3.083 312 W HA 0.791 5.451 4.660 0.000 0.000 0.333 312 W C -0.651 175.925 176.519 0.096 0.000 1.217 312 W CA -0.830 56.575 57.345 0.099 0.000 1.170 312 W CB 1.272 30.773 29.460 0.068 0.000 1.437 312 W HN 0.694 nan 8.180 nan 0.000 0.557 313 S N 1.256 117.211 115.700 0.425 0.000 2.626 313 S HA 0.626 5.096 4.470 0.000 0.000 0.275 313 S C -0.556 174.078 174.600 0.056 0.000 1.175 313 S CA 0.498 58.834 58.200 0.228 0.000 0.982 313 S CB 0.459 63.768 63.200 0.183 0.000 1.093 313 S HN 1.926 nan 8.310 nan 0.000 0.472 314 G N 3.908 112.804 108.800 0.160 0.000 3.367 314 G HA2 0.105 4.065 3.960 0.000 0.000 0.686 314 G HA3 0.105 4.065 3.960 0.000 0.000 0.686 314 G C -0.840 174.088 174.900 0.046 0.000 1.146 314 G CA -0.351 44.819 45.100 0.116 0.000 0.913 314 G HN 1.578 nan 8.290 nan 0.000 0.554 315 I N -1.277 119.310 120.570 0.028 0.000 3.067 315 I HA 0.969 5.139 4.170 0.000 0.000 0.312 315 I C -0.463 175.644 176.117 -0.018 0.000 1.073 315 I CA -1.601 59.636 61.300 -0.106 0.000 1.016 315 I CB 2.418 40.325 38.000 -0.156 0.000 1.227 315 I HN 0.474 nan 8.210 nan 0.000 0.456 316 Q N 2.457 122.244 119.800 -0.022 0.000 2.331 316 Q HA 0.391 4.731 4.340 0.000 0.000 0.267 316 Q C -0.652 175.417 176.000 0.116 0.000 1.006 316 Q CA -0.505 55.379 55.803 0.134 0.000 0.818 316 Q CB 1.657 30.575 28.738 0.300 0.000 1.276 316 Q HN 0.860 nan 8.270 nan 0.000 0.450 317 T N 0.949 115.561 114.554 0.096 0.000 2.900 317 T HA 0.202 4.552 4.350 0.000 0.000 0.307 317 T C 0.740 175.510 174.700 0.116 0.000 1.065 317 T CA -0.722 61.424 62.100 0.076 0.000 1.105 317 T CB 0.391 69.369 68.868 0.184 0.000 0.979 317 T HN 0.744 nan 8.240 nan 0.000 0.544 318 I N 2.793 123.460 120.570 0.161 0.000 2.752 318 I HA 0.133 4.303 4.170 0.000 0.000 0.289 318 I C -2.119 173.902 176.117 -0.160 0.000 1.197 318 I CA -2.079 59.264 61.300 0.072 0.000 1.432 318 I CB 0.627 38.710 38.000 0.138 0.000 1.359 318 I HN 0.513 nan 8.210 nan 0.000 0.571 319 P HA 0.047 nan 4.420 nan 0.000 0.261 319 P C -1.215 175.872 177.300 -0.356 0.000 1.183 319 P CA 0.482 63.145 63.100 -0.730 0.000 0.761 319 P CB 0.379 31.498 31.700 -0.969 0.000 0.785 320 R N 2.372 122.714 120.500 -0.263 0.000 2.674 320 R HA 0.491 4.831 4.340 0.000 0.000 0.266 320 R C 0.222 176.456 176.300 -0.110 0.000 1.016 320 R CA -0.887 55.137 56.100 -0.127 0.000 1.062 320 R CB 1.261 31.533 30.300 -0.046 0.000 1.142 320 R HN 0.306 nan 8.270 nan 0.000 0.517 321 K N 2.682 123.104 120.400 0.035 0.000 2.307 321 K HA 0.318 4.639 4.320 0.000 0.000 0.263 321 K C -0.937 175.851 176.600 0.314 0.000 0.973 321 K CA -0.559 55.805 56.287 0.128 0.000 0.846 321 K CB 0.701 33.312 32.500 0.185 0.000 1.100 321 K HN 0.492 nan 8.250 nan 0.000 0.438 322 I N 0.936 121.630 120.570 0.205 0.000 2.982 322 I HA 0.845 5.015 4.170 0.000 0.000 0.312 322 I C -1.224 175.168 176.117 0.458 0.000 1.041 322 I CA -0.432 60.961 61.300 0.154 0.000 1.053 322 I CB 1.104 39.042 38.000 -0.104 0.000 1.248 322 I HN 0.821 nan 8.210 nan 0.000 0.471 323 W N 2.043 123.333 121.300 -0.017 0.000 3.384 323 W HA 0.422 5.082 4.660 0.000 0.000 0.309 323 W C -2.540 173.992 176.519 0.022 0.000 1.107 323 W CA -1.104 56.243 57.345 0.004 0.000 1.088 323 W CB -0.126 29.330 29.460 -0.008 0.000 1.382 323 W HN 0.669 nan 8.180 nan 0.000 0.564 324 L N 3.618 124.927 121.223 0.143 0.000 2.525 324 L HA 0.078 4.418 4.340 0.000 0.000 0.278 324 L C 0.664 177.557 176.870 0.038 0.000 1.218 324 L CA 0.823 55.687 54.840 0.040 0.000 0.878 324 L CB -0.046 42.043 42.059 0.051 0.000 1.127 324 L HN 0.722 nan 8.230 nan 0.000 0.492 325 D N 2.240 122.625 120.400 -0.026 0.000 2.358 325 D HA 0.071 4.711 4.640 0.000 0.000 0.244 325 D C 1.187 177.562 176.300 0.125 0.000 1.163 325 D CA -0.368 53.648 54.000 0.026 0.000 0.945 325 D CB 0.890 41.688 40.800 -0.004 0.000 1.152 325 D HN 0.422 nan 8.370 nan 0.000 0.451 326 R N 1.132 121.741 120.500 0.182 0.000 2.096 326 R HA -0.151 4.189 4.340 0.000 0.000 0.240 326 R C 1.823 178.267 176.300 0.241 0.000 1.139 326 R CA 2.138 58.399 56.100 0.270 0.000 0.952 326 R CB -0.953 29.469 30.300 0.203 0.000 0.854 326 R HN 0.427 nan 8.270 nan 0.000 0.436 327 S N -1.039 114.751 115.700 0.149 0.000 2.440 327 S HA 0.001 4.471 4.470 0.000 0.000 0.238 327 S C 1.352 176.019 174.600 0.112 0.000 1.010 327 S CA 1.345 59.620 58.200 0.124 0.000 0.972 327 S CB -0.383 62.871 63.200 0.090 0.000 0.774 327 S HN 0.786 nan 8.310 nan 0.000 0.501 328 G N 1.404 110.256 108.800 0.086 0.000 2.179 328 G HA2 -0.266 3.694 3.960 0.000 0.000 0.260 328 G HA3 -0.266 3.694 3.960 0.000 0.000 0.260 328 G C 0.439 175.364 174.900 0.043 0.000 0.977 328 G CA 0.554 45.680 45.100 0.043 0.000 0.641 328 G HN 0.582 nan 8.290 nan 0.000 0.533 329 K N -0.087 120.343 120.400 0.049 0.000 2.792 329 K HA 0.432 4.752 4.320 0.000 0.000 0.207 329 K C -0.013 176.593 176.600 0.010 0.000 1.103 329 K CA 0.056 56.354 56.287 0.019 0.000 1.048 329 K CB 0.711 33.231 32.500 0.033 0.000 0.777 329 K HN 0.691 nan 8.250 nan 0.000 0.468 330 Q N 0.953 120.790 119.800 0.062 0.000 2.468 330 Q HA 0.276 4.616 4.340 0.000 0.000 0.263 330 Q C -1.740 174.297 176.000 0.062 0.000 0.979 330 Q CA -0.587 55.287 55.803 0.119 0.000 0.932 330 Q CB 1.467 30.256 28.738 0.086 0.000 1.462 330 Q HN 0.295 nan 8.270 nan 0.000 0.403 331 L N 4.353 125.615 121.223 0.065 0.000 2.371 331 L HA 0.470 4.811 4.340 0.000 0.000 0.272 331 L C -0.110 176.620 176.870 -0.233 0.000 1.124 331 L CA -0.489 54.261 54.840 -0.150 0.000 0.816 331 L CB 0.814 42.681 42.059 -0.321 0.000 1.129 331 L HN 0.589 nan 8.230 nan 0.000 0.448 332 I N 3.164 123.410 120.570 -0.540 0.000 2.354 332 I HA 0.284 4.454 4.170 0.000 0.000 0.292 332 I C -0.349 175.268 176.117 -0.833 0.000 0.989 332 I CA -0.483 60.374 61.300 -0.739 0.000 1.188 332 I CB 1.490 38.797 38.000 -1.155 0.000 1.342 332 I HN 0.609 nan 8.210 nan 0.000 0.457 333 Q N 6.174 125.775 119.800 -0.332 0.000 2.342 333 Q HA 0.499 4.839 4.340 0.000 0.000 0.267 333 Q C -1.388 174.745 176.000 0.221 0.000 1.038 333 Q CA -0.747 55.009 55.803 -0.078 0.000 0.832 333 Q CB 3.196 31.938 28.738 0.007 0.000 1.323 333 Q HN 0.624 nan 8.270 nan 0.000 0.448 334 W N 4.537 125.859 121.300 0.036 0.000 3.775 334 W HA 0.225 4.886 4.660 0.000 0.000 0.315 334 W C -3.077 173.381 176.519 -0.102 0.000 1.169 334 W CA -1.696 55.626 57.345 -0.038 0.000 1.266 334 W CB 1.359 30.878 29.460 0.098 0.000 1.269 334 W HN 0.477 nan 8.180 nan 0.000 0.471 335 P HA -0.101 nan 4.420 nan 0.000 0.266 335 P C 0.360 177.497 177.300 -0.272 0.000 1.180 335 P CA 0.597 63.424 63.100 -0.455 0.000 0.765 335 P CB 0.601 31.892 31.700 -0.681 0.000 0.806 336 V N 1.418 121.224 119.914 -0.181 0.000 2.509 336 V HA -0.020 4.100 4.120 0.000 0.000 0.297 336 V C 1.895 177.920 176.094 -0.115 0.000 1.014 336 V CA -0.138 62.089 62.300 -0.121 0.000 1.127 336 V CB -0.348 31.377 31.823 -0.162 0.000 0.925 336 V HN 0.403 nan 8.190 nan 0.000 0.480 337 R N 4.188 124.664 120.500 -0.040 0.000 2.119 337 R HA -0.182 4.158 4.340 0.000 0.000 0.246 337 R C 2.038 178.274 176.300 -0.106 0.000 1.146 337 R CA 1.914 57.989 56.100 -0.041 0.000 0.962 337 R CB -0.728 29.562 30.300 -0.016 0.000 0.863 337 R HN 1.024 nan 8.270 nan 0.000 0.442 338 E N 1.041 121.174 120.200 -0.110 0.000 2.501 338 E HA -0.099 4.251 4.350 0.000 0.000 0.203 338 E C 1.603 178.118 176.600 -0.141 0.000 1.072 338 E CA 0.826 57.153 56.400 -0.121 0.000 0.885 338 E CB -0.337 29.296 29.700 -0.111 0.000 0.813 338 E HN 0.173 nan 8.360 nan 0.000 0.556 339 V N 1.268 121.085 119.914 -0.162 0.000 3.052 339 V HA -0.106 4.014 4.120 0.000 0.000 0.254 339 V C 1.306 177.252 176.094 -0.247 0.000 1.100 339 V CA 1.028 63.216 62.300 -0.186 0.000 1.112 339 V CB -0.238 31.471 31.823 -0.190 0.000 0.738 339 V HN 0.170 nan 8.190 nan 0.000 0.469 340 E N -0.084 119.966 120.200 -0.250 0.000 2.520 340 E HA -0.090 4.261 4.350 0.000 0.000 0.201 340 E C 1.811 178.239 176.600 -0.288 0.000 1.122 340 E CA 0.101 56.316 56.400 -0.308 0.000 0.896 340 E CB -0.074 29.433 29.700 -0.321 0.000 0.891 340 E HN 0.584 nan 8.360 nan 0.000 0.533 341 R N 0.036 120.400 120.500 -0.227 0.000 2.210 341 R HA 0.088 4.429 4.340 0.000 0.000 0.203 341 R C 1.605 177.798 176.300 -0.179 0.000 1.010 341 R CA 0.340 56.329 56.100 -0.186 0.000 1.008 341 R CB 0.102 30.316 30.300 -0.144 0.000 0.923 341 R HN 0.178 nan 8.270 nan 0.000 0.469 342 L N 0.835 121.931 121.223 -0.213 0.000 2.599 342 L HA 0.072 4.413 4.340 0.000 0.000 0.230 342 L C 0.368 177.114 176.870 -0.208 0.000 1.141 342 L CA 0.237 54.956 54.840 -0.202 0.000 0.877 342 L CB -0.173 41.723 42.059 -0.271 0.000 1.009 342 L HN -0.045 nan 8.230 nan 0.000 0.447 343 R N 0.364 120.727 120.500 -0.228 0.000 2.347 343 R HA 0.161 4.501 4.340 0.000 0.000 0.304 343 R C 0.231 176.462 176.300 -0.115 0.000 1.072 343 R CA -0.197 55.786 56.100 -0.194 0.000 0.980 343 R CB 0.446 30.528 30.300 -0.364 0.000 0.986 343 R HN -0.038 nan 8.270 nan 0.000 0.448 344 T N 3.399 117.934 114.554 -0.031 0.000 2.933 344 T HA -0.045 4.306 4.350 0.000 0.000 0.306 344 T C 1.418 176.115 174.700 -0.004 0.000 1.045 344 T CA 0.285 62.382 62.100 -0.005 0.000 1.143 344 T CB 0.490 69.378 68.868 0.032 0.000 1.003 344 T HN 0.469 nan 8.240 nan 0.000 0.540 345 K N 1.629 122.018 120.400 -0.017 0.000 2.228 345 K HA -0.144 4.177 4.320 0.000 0.000 0.205 345 K C 1.797 178.406 176.600 0.016 0.000 1.045 345 K CA 1.056 57.332 56.287 -0.018 0.000 0.931 345 K CB 0.078 32.567 32.500 -0.018 0.000 0.727 345 K HN 0.508 nan 8.250 nan 0.000 0.458 346 Q N 0.133 119.957 119.800 0.039 0.000 2.669 346 Q HA 0.107 4.447 4.340 0.000 0.000 0.257 346 Q C -0.281 175.796 176.000 0.129 0.000 1.187 346 Q CA 0.449 56.289 55.803 0.062 0.000 1.136 346 Q CB 0.394 29.161 28.738 0.048 0.000 2.646 346 Q HN 0.011 nan 8.270 nan 0.000 0.592 347 V N 0.664 120.657 119.914 0.131 0.000 2.925 347 V HA 0.118 4.239 4.120 0.000 0.000 0.244 347 V C -1.623 174.488 176.094 0.027 0.000 1.801 347 V CA -0.690 61.718 62.300 0.180 0.000 0.828 347 V CB 1.494 33.450 31.823 0.222 0.000 1.220 347 V HN 0.539 nan 8.190 nan 0.000 0.506 348 K N 4.788 125.140 120.400 -0.081 0.000 2.248 348 K HA 0.516 4.836 4.320 0.000 0.000 0.281 348 K C -0.461 176.030 176.600 -0.180 0.000 1.054 348 K CA 0.051 56.267 56.287 -0.118 0.000 0.903 348 K CB 1.281 33.696 32.500 -0.141 0.000 1.077 348 K HN 0.922 nan 8.250 nan 0.000 0.474 349 N N 3.442 122.077 118.700 -0.109 0.000 2.312 349 N HA 0.612 5.352 4.740 0.000 0.000 0.296 349 N C -1.741 173.717 175.510 -0.087 0.000 1.193 349 N CA -0.657 52.326 53.050 -0.111 0.000 0.773 349 N CB 1.065 39.517 38.487 -0.059 0.000 1.435 349 N HN 0.428 nan 8.380 nan 0.000 0.484 350 L N 1.651 122.819 121.223 -0.091 0.000 2.737 350 L HA 0.413 4.754 4.340 0.000 0.000 0.261 350 L C -1.132 175.698 176.870 -0.066 0.000 0.949 350 L CA -0.648 54.150 54.840 -0.069 0.000 0.952 350 L CB 1.646 43.657 42.059 -0.081 0.000 1.337 350 L HN 0.680 nan 8.230 nan 0.000 0.430 351 R N 0.965 121.439 120.500 -0.044 0.000 2.807 351 R HA 0.647 4.987 4.340 0.000 0.000 0.276 351 R C -0.491 175.794 176.300 -0.026 0.000 0.979 351 R CA -1.016 55.060 56.100 -0.039 0.000 0.928 351 R CB 1.194 31.475 30.300 -0.030 0.000 1.191 351 R HN 0.541 nan 8.270 nan 0.000 0.471 352 N N 0.738 119.423 118.700 -0.025 0.000 2.667 352 N HA -0.165 4.575 4.740 0.000 0.000 0.263 352 N C -1.379 174.124 175.510 -0.011 0.000 1.038 352 N CA 0.740 53.780 53.050 -0.017 0.000 0.749 352 N CB -0.286 38.193 38.487 -0.013 0.000 0.892 352 N HN 0.473 nan 8.380 nan 0.000 0.546 353 K N 0.903 121.297 120.400 -0.009 0.000 2.376 353 K HA 0.414 4.734 4.320 0.000 0.000 0.257 353 K C 0.018 176.622 176.600 0.007 0.000 0.939 353 K CA -0.769 55.518 56.287 0.000 0.000 0.809 353 K CB 1.775 34.276 32.500 0.002 0.000 1.121 353 K HN 0.135 nan 8.250 nan 0.000 0.425 354 V N 0.825 120.743 119.914 0.006 0.000 2.775 354 V HA 0.409 4.529 4.120 0.000 0.000 0.299 354 V C 0.202 176.302 176.094 0.009 0.000 1.062 354 V CA -0.683 61.618 62.300 0.002 0.000 1.063 354 V CB 0.585 32.408 31.823 -0.001 0.000 0.994 354 V HN 0.618 nan 8.190 nan 0.000 0.483 355 L N 3.631 124.851 121.223 -0.005 0.000 2.445 355 L HA 0.446 4.786 4.340 0.000 0.000 0.252 355 L C 0.389 177.245 176.870 -0.022 0.000 1.105 355 L CA -0.427 54.410 54.840 -0.005 0.000 0.943 355 L CB 0.724 42.774 42.059 -0.015 0.000 1.277 355 L HN 0.758 nan 8.230 nan 0.000 0.465 356 K N 0.654 121.055 120.400 0.002 0.000 2.397 356 K HA 0.011 4.331 4.320 0.000 0.000 0.265 356 K C 0.698 177.305 176.600 0.013 0.000 0.982 356 K CA 0.099 56.391 56.287 0.008 0.000 0.931 356 K CB 0.437 32.950 32.500 0.022 0.000 0.943 356 K HN 0.289 nan 8.250 nan 0.000 0.501 357 S N 1.507 117.220 115.700 0.021 0.000 2.998 357 S HA 0.074 4.544 4.470 0.000 0.000 0.348 357 S C 0.924 175.554 174.600 0.050 0.000 1.210 357 S CA 0.933 59.152 58.200 0.031 0.000 1.118 357 S CB -1.089 62.144 63.200 0.055 0.000 0.832 357 S HN 0.836 nan 8.310 nan 0.000 0.516 358 G N 3.497 112.345 108.800 0.079 0.000 2.198 358 G HA2 -0.238 3.722 3.960 0.000 0.000 0.257 358 G HA3 -0.238 3.722 3.960 0.000 0.000 0.257 358 G C 0.088 175.165 174.900 0.295 0.000 1.042 358 G CA 0.379 45.642 45.100 0.272 0.000 0.791 358 G HN 1.543 nan 8.290 nan 0.000 0.502 359 S N -0.855 114.912 115.700 0.112 0.000 2.745 359 S HA 0.931 5.401 4.470 0.000 0.000 0.292 359 S C -0.036 174.586 174.600 0.037 0.000 1.133 359 S CA 0.003 58.259 58.200 0.093 0.000 0.998 359 S CB 2.002 65.237 63.200 0.059 0.000 1.087 359 S HN 1.472 nan 8.310 nan 0.000 0.551 360 R N -0.062 120.488 120.500 0.083 0.000 2.560 360 R HA 0.557 4.897 4.340 0.000 0.000 0.267 360 R C -1.850 174.543 176.300 0.155 0.000 1.150 360 R CA -0.967 55.202 56.100 0.115 0.000 0.997 360 R CB 0.286 30.638 30.300 0.087 0.000 1.250 360 R HN 0.685 nan 8.270 nan 0.000 0.433 361 L N -1.050 120.249 121.223 0.128 0.000 2.322 361 L HA 0.612 4.952 4.340 0.000 0.000 0.281 361 L C 0.005 176.844 176.870 -0.051 0.000 1.014 361 L CA -0.559 54.312 54.840 0.052 0.000 0.815 361 L CB 1.837 43.908 42.059 0.020 0.000 1.247 361 L HN 0.805 nan 8.230 nan 0.000 0.421 362 E N 2.348 122.408 120.200 -0.233 0.000 2.373 362 E HA 0.455 4.805 4.350 0.000 0.000 0.263 362 E C -1.162 175.048 176.600 -0.649 0.000 1.073 362 E CA -0.767 55.228 56.400 -0.674 0.000 0.894 362 E CB 1.363 30.489 29.700 -0.956 0.000 1.008 362 E HN 0.646 nan 8.360 nan 0.000 0.420 363 V N 5.731 125.280 119.914 -0.609 0.000 2.311 363 V HA 0.120 4.241 4.120 0.000 0.000 0.275 363 V C -0.172 175.694 176.094 -0.381 0.000 1.022 363 V CA -0.399 61.669 62.300 -0.387 0.000 0.830 363 V CB -0.043 31.615 31.823 -0.275 0.000 1.012 363 V HN 0.751 nan 8.190 nan 0.000 0.452 364 Y N 3.327 123.527 120.300 -0.166 0.000 2.392 364 Y HA 0.111 4.661 4.550 0.000 0.000 0.249 364 Y C 2.284 178.104 175.900 -0.133 0.000 1.032 364 Y CA 1.104 59.115 58.100 -0.148 0.000 1.040 364 Y CB -0.429 37.970 38.460 -0.103 0.000 1.029 364 Y HN 0.622 nan 8.280 nan 0.000 0.470 365 G N 0.999 109.862 108.800 0.106 0.000 2.686 365 G HA2 0.318 4.278 3.960 0.000 0.000 0.280 365 G HA3 0.318 4.278 3.960 0.000 0.000 0.280 365 G C -0.874 174.019 174.900 -0.011 0.000 0.666 365 G CA 0.581 45.694 45.100 0.022 0.000 2.114 365 G HN 0.250 nan 8.290 nan 0.000 0.553 366 V N -1.823 118.072 119.914 -0.030 0.000 3.098 366 V HA 0.543 4.664 4.120 0.000 0.000 0.294 366 V C 0.078 176.149 176.094 -0.038 0.000 1.351 366 V CA -0.868 61.411 62.300 -0.036 0.000 0.999 366 V CB 1.263 33.048 31.823 -0.064 0.000 1.104 366 V HN 0.405 nan 8.190 nan 0.000 0.438 367 T N 0.560 115.106 114.554 -0.014 0.000 3.416 367 T HA 0.418 4.768 4.350 0.000 0.000 0.247 367 T C 1.486 176.172 174.700 -0.023 0.000 0.973 367 T CA 0.357 62.455 62.100 -0.005 0.000 1.166 367 T CB 0.372 69.257 68.868 0.028 0.000 1.040 367 T HN 1.705 nan 8.240 nan 0.000 0.746 368 A N 2.680 125.473 122.820 -0.046 0.000 2.042 368 A HA 0.031 4.351 4.320 0.000 0.000 0.222 368 A C 2.396 179.959 177.584 -0.034 0.000 1.167 368 A CA 1.524 53.531 52.037 -0.050 0.000 0.649 368 A CB -0.793 18.169 19.000 -0.064 0.000 0.809 368 A HN 1.064 nan 8.150 nan 0.000 0.457 369 A N -2.436 120.357 122.820 -0.046 0.000 2.345 369 A HA 0.379 4.699 4.320 0.000 0.000 0.225 369 A C 0.987 178.334 177.584 -0.395 0.000 1.243 369 A CA 0.697 52.643 52.037 -0.152 0.000 0.875 369 A CB -0.028 18.952 19.000 -0.033 0.000 0.929 369 A HN 0.514 nan 8.150 nan 0.000 0.502 370 Q N -0.660 119.052 119.800 -0.147 0.000 3.311 370 Q HA 0.509 4.849 4.340 0.000 0.000 0.254 370 Q C -0.880 175.201 176.000 0.135 0.000 0.716 370 Q CA 0.078 55.879 55.803 -0.004 0.000 0.965 370 Q CB 0.521 29.283 28.738 0.041 0.000 1.538 370 Q HN 0.512 nan 8.270 nan 0.000 0.372 371 A N 0.320 123.202 122.820 0.102 0.000 2.524 371 A HA 0.699 5.019 4.320 0.000 0.000 0.286 371 A C -1.571 176.043 177.584 0.050 0.000 1.203 371 A CA -0.584 51.483 52.037 0.049 0.000 0.736 371 A CB 1.749 20.757 19.000 0.013 0.000 1.322 371 A HN 0.301 nan 8.150 nan 0.000 0.424 372 D N 0.765 121.199 120.400 0.057 0.000 2.414 372 D HA 0.503 5.143 4.640 0.000 0.000 0.232 372 D C -0.765 175.562 176.300 0.045 0.000 1.070 372 D CA 0.069 54.129 54.000 0.099 0.000 0.839 372 D CB 1.334 42.275 40.800 0.235 0.000 1.079 372 D HN 0.224 nan 8.370 nan 0.000 0.521 373 V N 3.146 123.058 119.914 -0.003 0.000 2.837 373 V HA 0.571 4.691 4.120 0.000 0.000 0.310 373 V C 0.179 176.232 176.094 -0.068 0.000 1.059 373 V CA -0.637 61.610 62.300 -0.089 0.000 1.004 373 V CB 1.731 33.527 31.823 -0.045 0.000 1.045 373 V HN 0.589 nan 8.190 nan 0.000 0.465 374 E N 1.287 121.401 120.200 -0.144 0.000 2.522 374 E HA 0.545 4.895 4.350 0.000 0.000 0.315 374 E C -2.075 174.450 176.600 -0.126 0.000 0.917 374 E CA -0.268 56.094 56.400 -0.062 0.000 0.796 374 E CB 1.993 31.689 29.700 -0.006 0.000 1.323 374 E HN 0.474 nan 8.360 nan 0.000 0.397 375 V N 3.301 123.157 119.914 -0.096 0.000 3.001 375 V HA 0.611 4.731 4.120 0.000 0.000 0.314 375 V C -0.870 175.095 176.094 -0.214 0.000 1.099 375 V CA -0.981 61.157 62.300 -0.270 0.000 0.989 375 V CB 1.903 33.381 31.823 -0.575 0.000 1.040 375 V HN 0.582 nan 8.190 nan 0.000 0.434 376 L N 2.545 123.592 121.223 -0.294 0.000 2.492 376 L HA 0.562 4.902 4.340 0.000 0.000 0.258 376 L C -0.915 175.878 176.870 -0.128 0.000 1.028 376 L CA 0.212 54.982 54.840 -0.117 0.000 0.900 376 L CB 0.815 42.846 42.059 -0.046 0.000 1.191 376 L HN 0.436 nan 8.230 nan 0.000 0.459 377 F N 2.389 122.417 119.950 0.130 0.000 2.399 377 F HA 0.420 4.948 4.527 0.000 0.000 0.342 377 F C 0.724 176.538 175.800 0.023 0.000 1.106 377 F CA -0.268 57.792 58.000 0.100 0.000 1.196 377 F CB 0.802 39.982 39.000 0.299 0.000 1.163 377 F HN 0.245 nan 8.300 nan 0.000 0.547 378 K N 2.554 123.048 120.400 0.157 0.000 2.376 378 K HA 0.649 4.969 4.320 0.000 0.000 0.257 378 K C -1.953 174.633 176.600 -0.023 0.000 0.939 378 K CA -0.534 55.781 56.287 0.046 0.000 0.809 378 K CB 1.536 34.043 32.500 0.012 0.000 1.121 378 K HN 0.498 nan 8.250 nan 0.000 0.425 379 V N 5.654 125.550 119.914 -0.029 0.000 2.357 379 V HA 0.382 4.503 4.120 0.000 0.000 0.284 379 V C -0.207 175.846 176.094 -0.069 0.000 1.018 379 V CA -0.849 61.410 62.300 -0.069 0.000 0.841 379 V CB 1.091 32.898 31.823 -0.027 0.000 0.991 379 V HN 0.850 nan 8.190 nan 0.000 0.437 380 R N 2.649 123.106 120.500 -0.072 0.000 2.457 380 R HA 0.611 4.951 4.340 0.000 0.000 0.284 380 R C -0.493 175.773 176.300 -0.057 0.000 1.024 380 R CA -0.647 55.413 56.100 -0.066 0.000 1.025 380 R CB 0.679 30.947 30.300 -0.055 0.000 1.063 380 R HN 0.537 nan 8.270 nan 0.000 0.493 381 D N 1.401 121.764 120.400 -0.062 0.000 3.617 381 D HA -0.167 4.473 4.640 0.000 0.000 0.226 381 D C 0.096 176.382 176.300 -0.023 0.000 1.125 381 D CA 0.429 54.406 54.000 -0.038 0.000 1.083 381 D CB -0.111 40.679 40.800 -0.017 0.000 0.833 381 D HN 0.749 nan 8.370 nan 0.000 0.399 382 L N 1.946 123.139 121.223 -0.049 0.000 2.376 382 L HA -0.094 4.246 4.340 0.000 0.000 0.219 382 L C 2.060 179.021 176.870 0.151 0.000 1.133 382 L CA 0.691 55.500 54.840 -0.051 0.000 0.816 382 L CB 0.039 41.894 42.059 -0.340 0.000 0.933 382 L HN 0.282 nan 8.230 nan 0.000 0.449 383 E N -0.064 120.222 120.200 0.143 0.000 2.160 383 E HA -0.238 4.112 4.350 0.000 0.000 0.195 383 E C 1.813 178.496 176.600 0.138 0.000 0.991 383 E CA 0.883 57.387 56.400 0.173 0.000 0.810 383 E CB -0.000 29.761 29.700 0.102 0.000 0.742 383 E HN 0.078 nan 8.360 nan 0.000 0.466 384 K N 0.439 120.898 120.400 0.098 0.000 2.519 384 K HA 0.073 4.394 4.320 0.000 0.000 0.196 384 K C 0.138 176.814 176.600 0.127 0.000 1.041 384 K CA 0.516 56.852 56.287 0.082 0.000 0.954 384 K CB -0.289 32.242 32.500 0.051 0.000 0.774 384 K HN 0.139 nan 8.250 nan 0.000 0.480 385 A N 1.236 124.166 122.820 0.184 0.000 2.462 385 A HA 0.064 4.384 4.320 0.000 0.000 0.243 385 A C -0.190 177.560 177.584 0.276 0.000 1.076 385 A CA -0.352 51.828 52.037 0.238 0.000 0.773 385 A CB 0.149 19.340 19.000 0.319 0.000 1.010 385 A HN 0.132 nan 8.150 nan 0.000 0.493 386 D N 0.212 120.861 120.400 0.415 0.000 2.358 386 D HA 0.376 5.016 4.640 0.000 0.000 0.244 386 D C -0.252 176.243 176.300 0.324 0.000 1.163 386 D CA 0.096 54.326 54.000 0.385 0.000 0.945 386 D CB 1.191 42.280 40.800 0.482 0.000 1.152 386 D HN 0.162 nan 8.370 nan 0.000 0.451 387 V N 2.506 122.470 119.914 0.083 0.000 2.350 387 V HA 0.173 4.294 4.120 0.000 0.000 0.276 387 V C 0.238 176.221 176.094 -0.186 0.000 1.028 387 V CA -0.909 61.379 62.300 -0.021 0.000 0.860 387 V CB 0.793 32.578 31.823 -0.064 0.000 0.990 387 V HN 0.315 nan 8.190 nan 0.000 0.453 388 I N 2.022 122.480 120.570 -0.187 0.000 2.880 388 I HA 0.200 4.371 4.170 0.000 0.000 0.296 388 I C 0.319 176.166 176.117 -0.450 0.000 1.220 388 I CA 0.327 61.424 61.300 -0.339 0.000 1.435 388 I CB -0.066 37.897 38.000 -0.062 0.000 1.339 388 I HN 0.635 nan 8.210 nan 0.000 0.583 389 E N 6.424 126.110 120.200 -0.858 0.000 2.343 389 E HA 0.297 4.647 4.350 0.000 0.000 0.269 389 E C -1.790 174.514 176.600 -0.493 0.000 1.047 389 E CA -1.506 54.426 56.400 -0.780 0.000 0.874 389 E CB 0.891 29.870 29.700 -1.202 0.000 1.033 389 E HN 0.483 nan 8.360 nan 0.000 0.409 390 P HA -0.317 nan 4.420 nan 0.000 0.212 390 P C 1.185 178.456 177.300 -0.048 0.000 1.174 390 P CA 2.483 65.502 63.100 -0.134 0.000 0.934 390 P CB -0.125 31.512 31.700 -0.105 0.000 0.791 391 S N -2.171 113.508 115.700 -0.035 0.000 2.389 391 S HA -0.227 4.243 4.470 0.000 0.000 0.231 391 S C 0.632 175.406 174.600 0.290 0.000 1.052 391 S CA 1.059 59.330 58.200 0.117 0.000 1.053 391 S CB -1.881 61.410 63.200 0.152 0.000 0.886 391 S HN 0.105 nan 8.310 nan 0.000 0.456 392 W N 3.835 125.154 121.300 0.032 0.000 2.413 392 W HA 0.309 4.969 4.660 0.000 0.000 0.485 392 W C 1.639 178.245 176.519 0.145 0.000 0.967 392 W CA 0.049 57.439 57.345 0.076 0.000 1.797 392 W CB -1.768 27.716 29.460 0.041 0.000 1.654 392 W HN 0.647 nan 8.180 nan 0.000 0.351 393 T N -3.338 111.431 114.554 0.358 0.000 2.987 393 T HA -0.009 4.341 4.350 0.000 0.000 0.248 393 T C 0.271 175.206 174.700 0.392 0.000 0.997 393 T CA -0.027 62.279 62.100 0.343 0.000 1.013 393 T CB 0.250 69.252 68.868 0.224 0.000 1.077 393 T HN 0.107 nan 8.240 nan 0.000 0.483 394 D N 3.052 123.589 120.400 0.228 0.000 2.313 394 D HA 0.279 4.919 4.640 0.000 0.000 0.239 394 D C -1.790 174.460 176.300 -0.085 0.000 1.142 394 D CA -2.149 51.903 54.000 0.087 0.000 0.847 394 D CB 2.092 42.934 40.800 0.069 0.000 1.082 394 D HN -0.023 nan 8.370 nan 0.000 0.480 395 P HA -0.220 nan 4.420 nan 0.000 0.213 395 P C 1.420 178.515 177.300 -0.342 0.000 1.176 395 P CA 1.470 64.111 63.100 -0.766 0.000 0.919 395 P CB 0.138 31.183 31.700 -1.093 0.000 0.791 396 Q N -0.769 118.891 119.800 -0.234 0.000 2.082 396 Q HA -0.255 4.085 4.340 0.000 0.000 0.211 396 Q C 2.093 178.021 176.000 -0.121 0.000 1.002 396 Q CA 1.829 57.554 55.803 -0.130 0.000 0.868 396 Q CB -0.870 27.839 28.738 -0.047 0.000 0.931 396 Q HN 0.055 nan 8.270 nan 0.000 0.414 397 L N 0.372 121.538 121.223 -0.096 0.000 2.079 397 L HA -0.224 4.116 4.340 0.000 0.000 0.210 397 L C 2.146 178.920 176.870 -0.160 0.000 1.081 397 L CA 1.231 56.018 54.840 -0.088 0.000 0.752 397 L CB -0.332 41.706 42.059 -0.034 0.000 0.896 397 L HN 0.389 nan 8.230 nan 0.000 0.433 398 I N -1.840 118.606 120.570 -0.208 0.000 2.353 398 I HA -0.241 3.929 4.170 0.000 0.000 0.248 398 I C 2.551 178.513 176.117 -0.259 0.000 1.119 398 I CA 0.928 62.014 61.300 -0.358 0.000 1.417 398 I CB -2.016 35.786 38.000 -0.329 0.000 1.078 398 I HN 0.287 nan 8.210 nan 0.000 0.421 399 c N 0.472 118.971 118.600 -0.169 0.000 2.432 399 c HA -0.044 4.526 4.570 0.000 0.000 0.280 399 c C 3.093 177.124 174.090 -0.098 0.000 1.353 399 c CA 0.807 57.069 56.329 -0.112 0.000 1.766 399 c CB -0.997 41.424 42.510 -0.149 0.000 1.924 399 c HN 0.486 nan 8.230 nan 0.000 0.509 400 S N 0.055 115.682 115.700 -0.121 0.000 2.439 400 S HA -0.043 4.427 4.470 0.000 0.000 0.224 400 S C 1.863 176.410 174.600 -0.088 0.000 1.029 400 S CA 0.900 59.040 58.200 -0.100 0.000 0.946 400 S CB -0.056 63.085 63.200 -0.099 0.000 0.797 400 S HN 0.476 nan 8.310 nan 0.000 0.504 401 K N 0.781 121.108 120.400 -0.122 0.000 2.365 401 K HA 0.285 4.605 4.320 0.000 0.000 0.197 401 K C 0.150 176.687 176.600 -0.104 0.000 1.042 401 K CA 0.575 56.794 56.287 -0.113 0.000 0.987 401 K CB 0.158 32.562 32.500 -0.160 0.000 0.779 401 K HN 0.269 nan 8.250 nan 0.000 0.484 402 M N 2.374 121.903 119.600 -0.119 0.000 1.987 402 M HA 0.185 4.665 4.480 0.000 0.000 0.298 402 M C -0.743 175.559 176.300 0.004 0.000 0.892 402 M CA -0.709 54.553 55.300 -0.064 0.000 0.885 402 M CB 1.200 33.738 32.600 -0.105 0.000 1.469 402 M HN 0.036 nan 8.290 nan 0.000 0.389 403 N N 1.513 120.222 118.700 0.016 0.000 2.240 403 N HA 0.076 4.816 4.740 0.000 0.000 0.250 403 N C 0.890 176.450 175.510 0.083 0.000 1.316 403 N CA -0.286 52.799 53.050 0.059 0.000 0.894 403 N CB 0.317 38.828 38.487 0.039 0.000 1.101 403 N HN 0.281 nan 8.380 nan 0.000 0.491 404 V N -0.168 119.823 119.914 0.129 0.000 2.307 404 V HA -0.168 3.952 4.120 0.000 0.000 0.245 404 V C 2.250 178.336 176.094 -0.013 0.000 1.045 404 V CA 1.871 64.216 62.300 0.075 0.000 1.024 404 V CB -0.947 31.060 31.823 0.307 0.000 0.651 404 V HN 0.656 nan 8.190 nan 0.000 0.449 405 S N -0.515 115.193 115.700 0.014 0.000 2.603 405 S HA 0.047 4.517 4.470 0.000 0.000 0.229 405 S C 0.599 175.151 174.600 -0.080 0.000 0.972 405 S CA 0.167 58.330 58.200 -0.060 0.000 0.935 405 S CB -0.224 62.938 63.200 -0.063 0.000 0.769 405 S HN 0.304 nan 8.310 nan 0.000 0.536 406 V N 3.133 123.012 119.914 -0.057 0.000 2.348 406 V HA 0.199 4.319 4.120 0.000 0.000 0.270 406 V C 0.393 176.452 176.094 -0.059 0.000 1.037 406 V CA -0.747 61.528 62.300 -0.041 0.000 0.872 406 V CB 0.880 32.705 31.823 0.003 0.000 1.002 406 V HN 0.232 nan 8.190 nan 0.000 0.464 407 K N 2.741 123.077 120.400 -0.107 0.000 2.276 407 K HA 0.490 4.810 4.320 0.000 0.000 0.259 407 K C -0.002 176.621 176.600 0.039 0.000 1.001 407 K CA -0.043 56.146 56.287 -0.164 0.000 0.927 407 K CB 0.625 32.811 32.500 -0.524 0.000 0.969 407 K HN 0.704 nan 8.250 nan 0.000 0.490 408 S N -0.833 114.936 115.700 0.114 0.000 2.607 408 S HA 0.301 4.772 4.470 0.000 0.000 0.273 408 S C 0.896 175.720 174.600 0.374 0.000 1.148 408 S CA -0.555 57.840 58.200 0.326 0.000 0.833 408 S CB 1.740 65.118 63.200 0.298 0.000 1.130 408 S HN 0.805 nan 8.310 nan 0.000 0.470 409 G N 0.597 109.624 108.800 0.378 0.000 2.511 409 G HA2 -0.001 3.959 3.960 0.000 0.000 0.216 409 G HA3 -0.001 3.959 3.960 0.000 0.000 0.216 409 G C 0.141 175.154 174.900 0.187 0.000 1.218 409 G CA 0.681 45.945 45.100 0.273 0.000 0.788 409 G HN 0.544 nan 8.290 nan 0.000 0.560 410 L N 1.334 122.626 121.223 0.116 0.000 2.426 410 L HA 0.602 4.942 4.340 0.000 0.000 0.255 410 L C 0.404 177.319 176.870 0.075 0.000 1.080 410 L CA -0.146 54.758 54.840 0.107 0.000 0.960 410 L CB 0.291 42.400 42.059 0.083 0.000 1.326 410 L HN 0.474 nan 8.230 nan 0.000 0.441 411 G N 2.871 111.755 108.800 0.141 0.000 2.339 411 G HA2 0.024 3.984 3.960 0.000 0.000 0.381 411 G HA3 0.024 3.984 3.960 0.000 0.000 0.381 411 G C -3.445 171.408 174.900 -0.079 0.000 1.400 411 G CA -0.873 44.236 45.100 0.015 0.000 1.002 411 G HN 0.110 nan 8.290 nan 0.000 0.633 412 P HA 0.650 nan 4.420 nan 0.000 0.290 412 P C -1.086 175.862 177.300 -0.586 0.000 1.276 412 P CA -0.400 62.349 63.100 -0.585 0.000 0.808 412 P CB 0.816 31.837 31.700 -1.131 0.000 0.966 413 F N 0.474 120.101 119.950 -0.539 0.000 2.630 413 F HA 0.788 5.315 4.527 0.000 0.000 0.325 413 F C -0.302 175.329 175.800 -0.281 0.000 1.184 413 F CA -0.543 57.123 58.000 -0.556 0.000 1.011 413 F CB 1.216 39.905 39.000 -0.518 0.000 1.268 413 F HN 0.593 nan 8.300 nan 0.000 0.480 414 G N 3.242 112.237 108.800 0.325 0.000 2.929 414 G HA2 0.522 4.482 3.960 0.000 0.000 0.123 414 G HA3 0.522 4.482 3.960 0.000 0.000 0.123 414 G C -1.876 173.480 174.900 0.759 0.000 1.212 414 G CA -0.812 44.619 45.100 0.551 0.000 1.238 414 G HN 0.700 nan 8.290 nan 0.000 0.617 415 L N 0.594 122.072 121.223 0.425 0.000 2.323 415 L HA 0.724 5.064 4.340 0.000 0.000 0.265 415 L C -0.524 176.197 176.870 -0.248 0.000 1.012 415 L CA -0.748 54.141 54.840 0.081 0.000 0.820 415 L CB 2.299 44.416 42.059 0.097 0.000 1.334 415 L HN 0.325 nan 8.230 nan 0.000 0.427 416 M N 3.505 122.925 119.600 -0.300 0.000 2.093 416 M HA 0.414 4.894 4.480 0.000 0.000 0.297 416 M C -0.699 175.605 176.300 0.005 0.000 0.938 416 M CA -0.705 54.465 55.300 -0.218 0.000 0.920 416 M CB 1.866 34.245 32.600 -0.368 0.000 1.517 416 M HN 0.367 nan 8.290 nan 0.000 0.427 417 V N 1.284 121.218 119.914 0.033 0.000 3.093 417 V HA 0.581 4.701 4.120 0.000 0.000 0.320 417 V C 0.700 176.845 176.094 0.084 0.000 1.093 417 V CA -0.979 61.349 62.300 0.046 0.000 1.016 417 V CB 1.482 33.315 31.823 0.017 0.000 1.096 417 V HN 0.855 nan 8.190 nan 0.000 0.452 418 L N 0.102 121.372 121.223 0.078 0.000 3.983 418 L HA -0.176 4.164 4.340 0.000 0.000 0.453 418 L C 1.023 177.988 176.870 0.158 0.000 1.119 418 L CA 1.533 56.435 54.840 0.104 0.000 0.924 418 L CB -2.124 39.974 42.059 0.065 0.000 1.831 418 L HN 1.165 nan 8.230 nan 0.000 1.001 419 A N -0.884 122.068 122.820 0.221 0.000 2.445 419 A HA 0.527 4.847 4.320 0.000 0.000 0.242 419 A C 0.944 178.671 177.584 0.238 0.000 1.075 419 A CA 0.700 52.903 52.037 0.278 0.000 0.777 419 A CB 0.585 19.828 19.000 0.405 0.000 1.013 419 A HN 0.291 nan 8.150 nan 0.000 0.493 420 S N 0.163 115.959 115.700 0.161 0.000 2.641 420 S HA 0.204 4.674 4.470 0.000 0.000 0.261 420 S C 1.673 176.210 174.600 -0.104 0.000 1.257 420 S CA -0.215 58.029 58.200 0.073 0.000 0.983 420 S CB 0.297 63.543 63.200 0.076 0.000 0.990 420 S HN 0.710 nan 8.310 nan 0.000 0.572 421 K N 2.170 122.470 120.400 -0.165 0.000 1.980 421 K HA -0.185 4.135 4.320 0.000 0.000 0.223 421 K C 0.734 177.219 176.600 -0.191 0.000 1.052 421 K CA 2.111 58.211 56.287 -0.311 0.000 0.974 421 K CB -1.627 30.818 32.500 -0.092 0.000 0.734 421 K HN 0.779 nan 8.250 nan 0.000 0.447 422 N N 1.252 119.901 118.700 -0.085 0.000 2.546 422 N HA 0.253 4.993 4.740 0.000 0.000 0.286 422 N C -0.166 175.296 175.510 -0.080 0.000 1.259 422 N CA -0.206 52.801 53.050 -0.072 0.000 0.939 422 N CB 0.124 38.591 38.487 -0.033 0.000 1.243 422 N HN 0.282 nan 8.380 nan 0.000 0.511 423 L N -0.529 120.642 121.223 -0.087 0.000 4.040 423 L HA -0.301 4.039 4.340 0.000 0.000 0.410 423 L C 1.388 178.365 176.870 0.179 0.000 1.187 423 L CA 0.918 55.756 54.840 -0.004 0.000 0.956 423 L CB -1.069 40.837 42.059 -0.255 0.000 2.022 423 L HN 0.539 nan 8.230 nan 0.000 0.897 424 E N 1.747 122.010 120.200 0.105 0.000 2.204 424 E HA -0.129 4.222 4.350 0.000 0.000 0.194 424 E C 0.568 177.224 176.600 0.093 0.000 0.989 424 E CA 1.426 57.881 56.400 0.092 0.000 0.824 424 E CB 0.065 29.794 29.700 0.049 0.000 0.756 424 E HN 0.823 nan 8.360 nan 0.000 0.477 425 E N -0.233 120.037 120.200 0.117 0.000 2.287 425 E HA 0.448 4.798 4.350 0.000 0.000 0.274 425 E C -1.267 175.383 176.600 0.083 0.000 0.896 425 E CA -1.024 55.383 56.400 0.013 0.000 0.788 425 E CB 1.145 30.850 29.700 0.009 0.000 1.244 425 E HN 0.137 nan 8.360 nan 0.000 0.408 426 Y N -0.844 119.455 120.300 -0.001 0.000 2.638 426 Y HA 0.700 5.250 4.550 0.000 0.000 0.335 426 Y C -1.138 174.756 175.900 -0.010 0.000 1.155 426 Y CA -1.136 56.960 58.100 -0.007 0.000 1.046 426 Y CB 1.683 40.119 38.460 -0.041 0.000 1.303 426 Y HN 0.287 nan 8.280 nan 0.000 0.460 427 T N 2.157 116.755 114.554 0.073 0.000 2.856 427 T HA 0.611 4.961 4.350 0.000 0.000 0.283 427 T C -0.995 173.778 174.700 0.122 0.000 1.008 427 T CA -0.805 61.302 62.100 0.013 0.000 0.997 427 T CB 1.094 69.951 68.868 -0.019 0.000 0.992 427 T HN 0.778 nan 8.240 nan 0.000 0.454 428 S N 1.651 117.437 115.700 0.143 0.000 2.652 428 S HA 0.498 4.969 4.470 0.000 0.000 0.252 428 S C -0.509 174.208 174.600 0.196 0.000 1.219 428 S CA -0.767 57.582 58.200 0.247 0.000 1.151 428 S CB 0.391 63.945 63.200 0.590 0.000 1.080 428 S HN 0.413 nan 8.310 nan 0.000 0.481 429 V N 4.953 124.901 119.914 0.056 0.000 2.465 429 V HA 0.665 4.785 4.120 0.000 0.000 0.279 429 V C -0.347 175.724 176.094 -0.038 0.000 1.045 429 V CA -0.198 62.012 62.300 -0.150 0.000 0.938 429 V CB -0.055 31.681 31.823 -0.145 0.000 0.986 429 V HN 0.909 nan 8.190 nan 0.000 0.467 430 Y N 3.126 123.316 120.300 -0.183 0.000 2.905 430 Y HA 0.824 5.374 4.550 0.000 0.000 0.322 430 Y C -1.633 173.876 175.900 -0.651 0.000 1.455 430 Y CA -2.246 55.663 58.100 -0.319 0.000 1.083 430 Y CB 0.885 39.265 38.460 -0.133 0.000 1.473 430 Y HN 0.313 nan 8.280 nan 0.000 0.449 431 F N 0.214 120.045 119.950 -0.199 0.000 2.579 431 F HA 0.864 5.391 4.527 0.000 0.000 0.324 431 F C -0.435 175.063 175.800 -0.504 0.000 1.058 431 F CA -1.173 56.560 58.000 -0.446 0.000 0.944 431 F CB 2.498 41.015 39.000 -0.806 0.000 1.245 431 F HN 0.354 nan 8.300 nan 0.000 0.477 432 R N 2.017 122.448 120.500 -0.116 0.000 2.510 432 R HA 0.535 4.875 4.340 0.000 0.000 0.287 432 R C -1.802 174.256 176.300 -0.403 0.000 1.084 432 R CA -0.556 55.371 56.100 -0.287 0.000 0.934 432 R CB 1.817 32.030 30.300 -0.146 0.000 1.201 432 R HN 0.360 nan 8.270 nan 0.000 0.431 433 I N 4.137 124.417 120.570 -0.484 0.000 2.377 433 I HA 0.482 4.652 4.170 0.000 0.000 0.293 433 I C -0.395 175.435 176.117 -0.479 0.000 0.987 433 I CA -0.508 60.608 61.300 -0.308 0.000 1.185 433 I CB 0.824 38.792 38.000 -0.053 0.000 1.341 433 I HN 0.465 nan 8.210 nan 0.000 0.455 434 F N 3.843 123.924 119.950 0.219 0.000 2.675 434 F HA 0.493 5.021 4.527 0.000 0.000 0.324 434 F C 0.221 176.103 175.800 0.136 0.000 1.106 434 F CA -1.095 57.016 58.000 0.184 0.000 0.970 434 F CB 1.269 40.372 39.000 0.171 0.000 1.385 434 F HN 0.166 nan 8.300 nan 0.000 0.489 435 K N 0.618 121.146 120.400 0.213 0.000 2.183 435 K HA 0.604 4.924 4.320 0.000 0.000 0.274 435 K C 0.470 177.011 176.600 -0.099 0.000 1.009 435 K CA -0.289 55.904 56.287 -0.156 0.000 0.888 435 K CB 1.777 34.131 32.500 -0.242 0.000 1.078 435 K HN 0.717 nan 8.250 nan 0.000 0.459 436 A N 3.852 126.578 122.820 -0.157 0.000 1.883 436 A HA -0.165 4.155 4.320 0.000 0.000 0.217 436 A C 1.427 178.946 177.584 -0.107 0.000 1.186 436 A CA 1.454 53.429 52.037 -0.103 0.000 0.624 436 A CB 0.010 18.948 19.000 -0.102 0.000 0.822 436 A HN 0.643 nan 8.150 nan 0.000 0.444 437 R N -3.427 116.991 120.500 -0.138 0.000 2.548 437 R HA 0.396 4.736 4.340 0.000 0.000 0.107 437 R C 1.403 177.631 176.300 -0.119 0.000 1.296 437 R CA 0.472 56.506 56.100 -0.111 0.000 1.097 437 R CB -0.511 29.733 30.300 -0.092 0.000 0.937 437 R HN 0.514 nan 8.270 nan 0.000 0.400 438 Q N -1.114 118.620 119.800 -0.109 0.000 2.288 438 Q HA 0.176 4.516 4.340 0.000 0.000 0.213 438 Q C 0.190 176.145 176.000 -0.075 0.000 0.724 438 Q CA 0.239 55.987 55.803 -0.091 0.000 0.902 438 Q CB 0.716 29.418 28.738 -0.060 0.000 1.286 438 Q HN 0.234 nan 8.270 nan 0.000 0.458 439 N N -0.689 117.975 118.700 -0.061 0.000 2.239 439 N HA 0.194 4.934 4.740 0.000 0.000 0.208 439 N C -0.429 175.062 175.510 -0.032 0.000 1.200 439 N CA 0.131 53.161 53.050 -0.034 0.000 0.895 439 N CB 1.326 39.802 38.487 -0.018 0.000 1.085 439 N HN -0.134 nan 8.380 nan 0.000 0.500 440 S N 1.715 117.383 115.700 -0.052 0.000 3.864 440 S HA 0.064 4.534 4.470 0.000 0.000 0.202 440 S C 0.096 174.663 174.600 -0.055 0.000 1.402 440 S CA -0.334 57.841 58.200 -0.042 0.000 1.072 440 S CB -1.031 62.142 63.200 -0.045 0.000 1.383 440 S HN 0.227 nan 8.310 nan 0.000 0.458 441 N N 3.622 122.308 118.700 -0.024 0.000 3.107 441 N HA -0.150 4.590 4.740 0.000 0.000 0.302 441 N C -0.622 174.901 175.510 0.021 0.000 1.099 441 N CA 1.034 54.106 53.050 0.037 0.000 0.861 441 N CB -0.166 38.401 38.487 0.133 0.000 0.926 441 N HN 0.357 nan 8.380 nan 0.000 0.630 442 K N 2.129 122.441 120.400 -0.147 0.000 2.581 442 K HA 0.265 4.585 4.320 0.000 0.000 0.249 442 K C -0.983 175.484 176.600 -0.222 0.000 0.966 442 K CA -0.453 55.796 56.287 -0.063 0.000 0.811 442 K CB 1.127 33.593 32.500 -0.057 0.000 1.223 442 K HN 0.122 nan 8.250 nan 0.000 0.438 443 Y N 0.094 120.386 120.300 -0.014 0.000 2.567 443 Y HA 0.572 5.122 4.550 0.000 0.000 0.333 443 Y C 0.367 176.264 175.900 -0.004 0.000 1.106 443 Y CA -1.202 56.906 58.100 0.014 0.000 1.157 443 Y CB 1.826 40.300 38.460 0.023 0.000 1.277 443 Y HN 0.062 nan 8.280 nan 0.000 0.490 444 V N 2.569 122.584 119.914 0.168 0.000 2.448 444 V HA 0.372 4.493 4.120 0.000 0.000 0.295 444 V C -0.792 175.378 176.094 0.126 0.000 1.025 444 V CA -0.950 61.392 62.300 0.070 0.000 0.859 444 V CB 1.468 33.279 31.823 -0.019 0.000 0.988 444 V HN 0.489 nan 8.190 nan 0.000 0.431 445 V N 6.056 126.035 119.914 0.108 0.000 2.350 445 V HA 0.385 4.505 4.120 0.000 0.000 0.276 445 V C -0.215 176.040 176.094 0.269 0.000 1.028 445 V CA -0.456 61.916 62.300 0.121 0.000 0.860 445 V CB 1.364 33.210 31.823 0.039 0.000 0.990 445 V HN 0.670 nan 8.190 nan 0.000 0.453 446 L N 6.315 127.704 121.223 0.276 0.000 2.264 446 L HA 0.571 4.911 4.340 0.000 0.000 0.289 446 L C -0.249 176.742 176.870 0.201 0.000 1.044 446 L CA 0.179 55.204 54.840 0.309 0.000 0.807 446 L CB 1.098 43.340 42.059 0.305 0.000 1.192 446 L HN 0.714 nan 8.230 nan 0.000 0.425 447 M N 5.439 125.076 119.600 0.061 0.000 2.101 447 M HA 0.403 4.883 4.480 0.000 0.000 0.340 447 M C -1.445 174.669 176.300 -0.312 0.000 1.057 447 M CA -0.274 54.925 55.300 -0.169 0.000 0.984 447 M CB 0.796 33.317 32.600 -0.132 0.000 1.560 447 M HN 0.683 nan 8.290 nan 0.000 0.435 448 c N 1.727 120.013 118.600 -0.523 0.000 2.493 448 c HA 0.661 5.231 4.570 0.000 0.000 0.326 448 c C 0.243 173.937 174.090 -0.660 0.000 1.200 448 c CA -0.651 55.317 56.329 -0.601 0.000 1.739 448 c CB 1.814 43.850 42.510 -0.790 0.000 2.300 448 c HN 0.813 nan 8.230 nan 0.000 0.500 449 S N 1.475 116.940 115.700 -0.392 0.000 2.395 449 S HA 0.245 4.715 4.470 0.000 0.000 0.207 449 S C -0.961 173.532 174.600 -0.178 0.000 1.454 449 S CA -0.348 57.703 58.200 -0.248 0.000 1.211 449 S CB -0.168 62.970 63.200 -0.103 0.000 1.093 449 S HN 0.837 nan 8.310 nan 0.000 0.472 450 D N 2.127 122.431 120.400 -0.160 0.000 2.389 450 D HA 0.225 4.866 4.640 0.000 0.000 0.247 450 D C 0.953 177.195 176.300 -0.097 0.000 1.128 450 D CA 0.288 54.240 54.000 -0.079 0.000 0.884 450 D CB 0.756 41.606 40.800 0.085 0.000 1.194 450 D HN 0.417 nan 8.370 nan 0.000 0.441 451 Q N 1.188 120.900 119.800 -0.147 0.000 2.164 451 Q HA 0.014 4.354 4.340 0.000 0.000 0.226 451 Q C 1.711 177.617 176.000 -0.157 0.000 0.813 451 Q CA 0.015 55.724 55.803 -0.158 0.000 0.978 451 Q CB 0.492 29.112 28.738 -0.196 0.000 1.149 451 Q HN 0.566 nan 8.270 nan 0.000 0.489 452 S N 1.362 116.975 115.700 -0.144 0.000 2.392 452 S HA -0.183 4.287 4.470 0.000 0.000 0.232 452 S C 1.577 176.086 174.600 -0.151 0.000 1.041 452 S CA 1.296 59.420 58.200 -0.126 0.000 1.026 452 S CB -0.076 63.070 63.200 -0.091 0.000 0.845 452 S HN 0.181 nan 8.310 nan 0.000 0.465 453 R N 0.218 120.572 120.500 -0.243 0.000 2.577 453 R HA 0.466 4.806 4.340 0.000 0.000 0.344 453 R C 1.663 177.768 176.300 -0.325 0.000 1.037 453 R CA 0.329 56.242 56.100 -0.312 0.000 1.102 453 R CB -0.085 29.912 30.300 -0.505 0.000 1.313 453 R HN 0.296 nan 8.270 nan 0.000 0.561 454 S N -0.101 115.460 115.700 -0.232 0.000 2.440 454 S HA -0.110 4.360 4.470 0.000 0.000 0.240 454 S C 0.851 175.392 174.600 -0.099 0.000 1.014 454 S CA 1.392 59.493 58.200 -0.165 0.000 0.980 454 S CB -0.080 63.044 63.200 -0.126 0.000 0.775 454 S HN 0.535 nan 8.310 nan 0.000 0.499 455 S N -1.579 114.076 115.700 -0.075 0.000 2.656 455 S HA 0.547 5.018 4.470 0.000 0.000 0.273 455 S C 0.116 174.708 174.600 -0.013 0.000 1.168 455 S CA -0.871 57.321 58.200 -0.015 0.000 0.817 455 S CB 0.596 63.809 63.200 0.022 0.000 1.146 455 S HN 0.061 nan 8.310 nan 0.000 0.475 456 L N 0.309 121.545 121.223 0.021 0.000 2.416 456 L HA 0.368 4.709 4.340 0.000 0.000 0.216 456 L C 1.219 178.100 176.870 0.017 0.000 1.098 456 L CA 0.377 55.228 54.840 0.017 0.000 0.840 456 L CB -0.063 42.016 42.059 0.034 0.000 0.981 456 L HN 0.697 nan 8.230 nan 0.000 0.462 457 K N 1.567 121.984 120.400 0.029 0.000 2.315 457 K HA -0.061 4.259 4.320 0.000 0.000 0.291 457 K C 1.113 177.712 176.600 -0.002 0.000 1.074 457 K CA 0.039 56.337 56.287 0.019 0.000 0.936 457 K CB 0.669 33.188 32.500 0.032 0.000 1.049 457 K HN 0.063 nan 8.250 nan 0.000 0.471 458 E N 3.030 123.225 120.200 -0.009 0.000 2.219 458 E HA -0.211 4.139 4.350 0.000 0.000 0.198 458 E C -0.396 176.189 176.600 -0.025 0.000 0.998 458 E CA 1.006 57.395 56.400 -0.019 0.000 0.818 458 E CB 0.253 29.943 29.700 -0.017 0.000 0.741 458 E HN 0.590 nan 8.360 nan 0.000 0.477 459 D N 1.445 121.828 120.400 -0.028 0.000 2.551 459 D HA 0.149 4.789 4.640 0.000 0.000 0.223 459 D C -0.616 175.648 176.300 -0.059 0.000 1.144 459 D CA 0.249 54.224 54.000 -0.043 0.000 1.025 459 D CB -0.075 40.696 40.800 -0.048 0.000 1.085 459 D HN 0.102 nan 8.370 nan 0.000 0.506 460 N N 0.617 119.291 118.700 -0.043 0.000 2.859 460 N HA 0.010 4.750 4.740 0.000 0.000 0.250 460 N C -1.151 174.352 175.510 -0.012 0.000 1.341 460 N CA -0.569 52.465 53.050 -0.028 0.000 0.881 460 N CB 1.755 40.262 38.487 0.033 0.000 1.516 460 N HN 0.002 nan 8.380 nan 0.000 0.503 461 D N 1.218 121.628 120.400 0.017 0.000 2.489 461 D HA 0.078 4.718 4.640 0.000 0.000 0.237 461 D C 0.403 176.679 176.300 -0.039 0.000 1.212 461 D CA 0.227 54.226 54.000 -0.001 0.000 1.058 461 D CB 0.254 41.078 40.800 0.040 0.000 1.098 461 D HN 0.191 nan 8.370 nan 0.000 0.509 462 K N 0.277 120.635 120.400 -0.071 0.000 2.551 462 K HA -0.001 4.319 4.320 0.000 0.000 0.192 462 K C 0.503 176.987 176.600 -0.193 0.000 1.027 462 K CA -0.012 56.206 56.287 -0.114 0.000 1.059 462 K CB -0.175 32.270 32.500 -0.093 0.000 0.831 462 K HN 0.342 nan 8.250 nan 0.000 0.508 463 T N -0.766 113.647 114.554 -0.234 0.000 2.867 463 T HA 0.026 4.376 4.350 0.000 0.000 0.297 463 T C 0.274 174.588 174.700 -0.643 0.000 0.989 463 T CA -0.297 61.598 62.100 -0.342 0.000 1.159 463 T CB 0.394 69.094 68.868 -0.280 0.000 0.928 463 T HN -0.005 nan 8.240 nan 0.000 0.538 464 T N 4.652 118.917 114.554 -0.482 0.000 2.897 464 T HA 0.393 4.743 4.350 0.000 0.000 0.294 464 T C -0.680 173.704 174.700 -0.527 0.000 1.004 464 T CA -0.106 61.702 62.100 -0.487 0.000 1.106 464 T CB 0.070 68.789 68.868 -0.248 0.000 0.949 464 T HN 0.606 nan 8.240 nan 0.000 0.520 465 Y N 0.467 120.683 120.300 -0.141 0.000 2.420 465 Y HA 0.652 5.202 4.550 0.000 0.000 0.334 465 Y C 0.775 176.558 175.900 -0.196 0.000 1.094 465 Y CA -1.054 56.955 58.100 -0.153 0.000 1.126 465 Y CB 1.579 39.946 38.460 -0.154 0.000 1.217 465 Y HN 0.800 nan 8.280 nan 0.000 0.462 466 G N 0.012 108.785 108.800 -0.045 0.000 2.533 466 G HA2 0.829 4.789 3.960 0.000 0.000 0.304 466 G HA3 0.829 4.789 3.960 0.000 0.000 0.304 466 G C -1.691 173.022 174.900 -0.311 0.000 1.263 466 G CA -0.786 44.195 45.100 -0.198 0.000 0.964 466 G HN 0.889 nan 8.290 nan 0.000 0.479 467 A N -0.069 122.482 122.820 -0.449 0.000 2.608 467 A HA 0.766 5.086 4.320 0.000 0.000 0.292 467 A C -1.646 175.653 177.584 -0.475 0.000 1.066 467 A CA -0.771 50.874 52.037 -0.654 0.000 0.676 467 A CB 0.746 19.364 19.000 -0.636 0.000 1.277 467 A HN 0.641 nan 8.150 nan 0.000 0.413 468 F N 0.456 120.255 119.950 -0.251 0.000 2.458 468 F HA 0.616 5.143 4.527 0.000 0.000 0.330 468 F C 0.033 175.789 175.800 -0.074 0.000 1.082 468 F CA -0.983 56.960 58.000 -0.095 0.000 0.995 468 F CB 2.314 41.280 39.000 -0.056 0.000 1.170 468 F HN 0.309 nan 8.300 nan 0.000 0.478 469 V N 1.146 121.195 119.914 0.224 0.000 2.407 469 V HA 0.122 4.242 4.120 0.000 0.000 0.291 469 V C -0.832 175.323 176.094 0.102 0.000 1.018 469 V CA -0.813 61.573 62.300 0.144 0.000 0.842 469 V CB 1.503 33.437 31.823 0.184 0.000 0.996 469 V HN 0.631 nan 8.190 nan 0.000 0.426 470 D N 5.414 125.864 120.400 0.083 0.000 2.608 470 D HA 0.371 5.011 4.640 0.000 0.000 0.224 470 D C -0.008 176.318 176.300 0.043 0.000 1.123 470 D CA 0.153 54.188 54.000 0.059 0.000 1.030 470 D CB -0.108 40.727 40.800 0.059 0.000 1.093 470 D HN 0.625 nan 8.370 nan 0.000 0.497 471 I N -1.623 118.964 120.570 0.028 0.000 3.145 471 I HA 0.560 4.730 4.170 0.000 0.000 0.313 471 I C -0.594 175.516 176.117 -0.010 0.000 1.122 471 I CA -1.472 59.833 61.300 0.008 0.000 0.987 471 I CB 1.970 39.965 38.000 -0.009 0.000 1.236 471 I HN -0.206 nan 8.210 nan 0.000 0.453 472 N N 3.354 122.040 118.700 -0.023 0.000 2.485 472 N HA 0.403 5.143 4.740 0.000 0.000 0.243 472 N C -1.857 173.624 175.510 -0.049 0.000 0.987 472 N CA -1.997 51.020 53.050 -0.054 0.000 0.940 472 N CB 1.337 39.780 38.487 -0.072 0.000 1.122 472 N HN 0.429 nan 8.380 nan 0.000 0.509 473 P HA -0.173 nan 4.420 nan 0.000 0.234 473 P C 0.390 177.679 177.300 -0.018 0.000 1.162 473 P CA 1.222 64.274 63.100 -0.080 0.000 0.759 473 P CB 0.080 31.696 31.700 -0.140 0.000 0.813 474 H N -0.671 118.310 119.070 -0.148 0.000 2.395 474 H HA -0.017 4.539 4.556 0.000 0.000 0.299 474 H C 1.333 176.617 175.328 -0.074 0.000 1.070 474 H CA 0.382 56.357 56.048 -0.122 0.000 1.356 474 H CB 0.444 30.156 29.762 -0.083 0.000 1.401 474 H HN 0.298 nan 8.280 nan 0.000 0.524 475 Q N 1.345 121.192 119.800 0.079 0.000 2.171 475 Q HA 0.290 4.630 4.340 0.000 0.000 0.217 475 Q C -2.396 173.616 176.000 0.020 0.000 0.995 475 Q CA -2.133 53.691 55.803 0.035 0.000 0.979 475 Q CB -0.202 28.554 28.738 0.030 0.000 1.152 475 Q HN 0.140 nan 8.270 nan 0.000 0.525 476 P HA 0.179 nan 4.420 nan 0.000 0.274 476 P C -0.684 176.642 177.300 0.042 0.000 1.231 476 P CA -0.109 63.017 63.100 0.042 0.000 0.790 476 P CB 0.514 32.238 31.700 0.039 0.000 0.951 477 L N 0.414 121.683 121.223 0.077 0.000 2.275 477 L HA 0.471 4.811 4.340 0.000 0.000 0.288 477 L C 0.568 177.534 176.870 0.161 0.000 1.046 477 L CA -0.541 54.300 54.840 0.002 0.000 0.805 477 L CB 0.852 42.745 42.059 -0.278 0.000 1.193 477 L HN 0.192 nan 8.230 nan 0.000 0.426 478 S N 3.197 118.993 115.700 0.160 0.000 2.652 478 S HA 0.798 5.269 4.470 0.000 0.000 0.270 478 S C -0.530 174.348 174.600 0.463 0.000 1.243 478 S CA -0.475 57.877 58.200 0.254 0.000 0.999 478 S CB 1.608 64.936 63.200 0.214 0.000 0.973 478 S HN 0.513 nan 8.310 nan 0.000 0.544 479 L N 1.986 123.457 121.223 0.414 0.000 2.905 479 L HA 0.420 4.760 4.340 0.000 0.000 0.260 479 L C -0.900 176.134 176.870 0.274 0.000 0.933 479 L CA -0.105 54.988 54.840 0.421 0.000 1.034 479 L CB 1.244 43.617 42.059 0.523 0.000 1.550 479 L HN 0.717 nan 8.230 nan 0.000 0.480 480 R N 3.757 124.424 120.500 0.279 0.000 2.720 480 R HA 0.993 5.333 4.340 0.000 0.000 0.272 480 R C -1.250 175.164 176.300 0.190 0.000 0.991 480 R CA -0.137 56.074 56.100 0.184 0.000 1.010 480 R CB 1.993 32.337 30.300 0.073 0.000 1.141 480 R HN 0.843 nan 8.270 nan 0.000 0.494 481 A N 4.623 127.515 122.820 0.121 0.000 2.476 481 A HA 0.332 4.652 4.320 0.000 0.000 0.280 481 A C -1.390 176.265 177.584 0.118 0.000 1.081 481 A CA -0.741 51.373 52.037 0.127 0.000 0.753 481 A CB 1.043 20.086 19.000 0.072 0.000 1.248 481 A HN 0.481 nan 8.150 nan 0.000 0.424 482 L N 3.589 124.922 121.223 0.183 0.000 2.367 482 L HA 0.368 4.708 4.340 0.000 0.000 0.275 482 L C -0.372 176.639 176.870 0.235 0.000 1.129 482 L CA 0.037 55.011 54.840 0.224 0.000 0.839 482 L CB 0.738 43.000 42.059 0.338 0.000 1.133 482 L HN 0.478 nan 8.230 nan 0.000 0.453 483 I N 3.473 124.199 120.570 0.260 0.000 2.382 483 I HA 0.295 4.465 4.170 0.000 0.000 0.286 483 I C 0.016 176.214 176.117 0.135 0.000 1.002 483 I CA -0.277 61.114 61.300 0.150 0.000 1.135 483 I CB 1.485 39.521 38.000 0.061 0.000 1.288 483 I HN 0.452 nan 8.210 nan 0.000 0.448 484 D N 6.775 127.166 120.400 -0.015 0.000 2.945 484 D HA 0.182 4.822 4.640 0.000 0.000 0.340 484 D C 0.608 176.836 176.300 -0.121 0.000 1.240 484 D CA -0.034 53.836 54.000 -0.217 0.000 0.749 484 D CB 0.417 40.957 40.800 -0.434 0.000 1.217 484 D HN 0.593 nan 8.370 nan 0.000 0.514 485 H N -0.277 118.802 119.070 0.015 0.000 1.452 485 H HA -0.308 4.249 4.556 0.000 0.000 0.090 485 H C 1.791 177.096 175.328 -0.039 0.000 0.624 485 H CA 1.534 57.604 56.048 0.038 0.000 1.901 485 H CB -1.851 27.958 29.762 0.079 0.000 2.257 485 H HN 0.357 nan 8.280 nan 0.000 0.961 486 S N 2.288 118.057 115.700 0.115 0.000 2.402 486 S HA 0.002 4.472 4.470 0.000 0.000 0.233 486 S C 1.175 175.614 174.600 -0.269 0.000 1.030 486 S CA 1.574 59.654 58.200 -0.200 0.000 1.003 486 S CB -0.234 62.943 63.200 -0.039 0.000 0.813 486 S HN 0.497 nan 8.310 nan 0.000 0.477 487 V N 2.223 122.046 119.914 -0.152 0.000 2.513 487 V HA 0.730 4.850 4.120 0.000 0.000 0.299 487 V C -0.923 175.101 176.094 -0.118 0.000 1.035 487 V CA -0.646 61.539 62.300 -0.193 0.000 0.889 487 V CB 1.755 33.393 31.823 -0.308 0.000 0.988 487 V HN 0.514 nan 8.190 nan 0.000 0.440 488 V N 3.295 123.141 119.914 -0.113 0.000 2.569 488 V HA 0.686 4.806 4.120 0.000 0.000 0.301 488 V C -0.673 175.381 176.094 -0.067 0.000 1.044 488 V CA -0.691 61.581 62.300 -0.046 0.000 0.874 488 V CB 1.528 33.321 31.823 -0.050 0.000 1.002 488 V HN 0.906 nan 8.190 nan 0.000 0.424 489 E N 2.597 122.799 120.200 0.004 0.000 2.151 489 E HA 0.625 4.975 4.350 0.000 0.000 0.275 489 E C -0.624 175.922 176.600 -0.090 0.000 0.936 489 E CA -0.509 55.847 56.400 -0.073 0.000 0.777 489 E CB 2.028 31.796 29.700 0.114 0.000 1.108 489 E HN 0.788 nan 8.360 nan 0.000 0.401 490 S N 2.511 118.001 115.700 -0.349 0.000 2.525 490 S HA 0.582 5.053 4.470 0.000 0.000 0.290 490 S C -0.779 173.479 174.600 -0.571 0.000 1.152 490 S CA -0.634 57.406 58.200 -0.268 0.000 1.072 490 S CB 0.491 63.553 63.200 -0.229 0.000 1.027 490 S HN 0.306 nan 8.310 nan 0.000 0.500 491 F N 0.565 120.499 119.950 -0.027 0.000 2.557 491 F HA 0.636 5.163 4.527 0.000 0.000 0.316 491 F C 0.552 176.437 175.800 0.142 0.000 1.141 491 F CA -0.589 57.435 58.000 0.039 0.000 0.922 491 F CB 2.213 41.222 39.000 0.014 0.000 1.194 491 F HN 0.722 nan 8.300 nan 0.000 0.443 492 G N 0.189 109.184 108.800 0.325 0.000 2.524 492 G HA2 0.486 4.446 3.960 0.000 0.000 0.310 492 G HA3 0.486 4.446 3.960 0.000 0.000 0.310 492 G C 0.300 175.408 174.900 0.346 0.000 1.279 492 G CA -0.560 44.785 45.100 0.408 0.000 0.974 492 G HN 1.212 nan 8.290 nan 0.000 0.484 493 G N 0.609 109.597 108.800 0.314 0.000 2.356 493 G HA2 -0.160 3.800 3.960 0.000 0.000 0.296 493 G HA3 -0.160 3.800 3.960 0.000 0.000 0.296 493 G C 0.523 175.532 174.900 0.182 0.000 1.022 493 G CA 0.714 45.927 45.100 0.189 0.000 0.961 493 G HN 1.622 nan 8.290 nan 0.000 0.510 494 K N -2.821 117.737 120.400 0.263 0.000 3.239 494 K HA -0.026 4.294 4.320 0.000 0.000 0.270 494 K C 1.970 178.779 176.600 0.348 0.000 1.049 494 K CA 2.015 58.428 56.287 0.209 0.000 0.769 494 K CB -1.670 30.791 32.500 -0.065 0.000 1.305 494 K HN 2.203 nan 8.250 nan 0.000 0.469 495 G N -0.608 108.514 108.800 0.536 0.000 2.320 495 G HA2 -0.455 3.505 3.960 0.000 0.000 0.242 495 G HA3 -0.455 3.505 3.960 0.000 0.000 0.242 495 G C 1.114 176.149 174.900 0.226 0.000 1.033 495 G CA 0.474 45.860 45.100 0.477 0.000 0.620 495 G HN 0.398 nan 8.290 nan 0.000 0.517 496 R N 0.804 121.392 120.500 0.145 0.000 2.244 496 R HA 0.128 4.469 4.340 0.000 0.000 0.252 496 R C 1.314 177.675 176.300 0.101 0.000 1.177 496 R CA 1.460 57.612 56.100 0.086 0.000 1.004 496 R CB -0.206 30.143 30.300 0.081 0.000 0.873 496 R HN 0.993 nan 8.270 nan 0.000 0.469 497 A N -0.020 122.872 122.820 0.119 0.000 2.357 497 A HA 0.425 4.745 4.320 0.000 0.000 0.295 497 A C -0.983 176.577 177.584 -0.041 0.000 1.121 497 A CA -0.737 51.326 52.037 0.043 0.000 0.742 497 A CB 1.116 20.140 19.000 0.040 0.000 1.181 497 A HN 0.231 nan 8.150 nan 0.000 0.454 498 C N 3.721 122.958 119.300 -0.105 0.000 2.362 498 C HA 0.553 5.013 4.460 0.000 0.000 0.309 498 C C -0.003 174.762 174.990 -0.375 0.000 1.110 498 C CA -0.520 58.263 59.018 -0.391 0.000 1.485 498 C CB -1.337 26.155 27.740 -0.414 0.000 1.949 498 C HN 0.680 nan 8.230 nan 0.000 0.419 499 I N 2.691 123.018 120.570 -0.404 0.000 2.359 499 I HA 0.289 4.459 4.170 0.000 0.000 0.284 499 I C 0.450 176.330 176.117 -0.395 0.000 1.018 499 I CA 0.443 61.536 61.300 -0.345 0.000 1.173 499 I CB 1.278 39.141 38.000 -0.228 0.000 1.326 499 I HN 0.506 nan 8.210 nan 0.000 0.462 500 T N 4.340 118.622 114.554 -0.453 0.000 2.925 500 T HA 0.738 5.089 4.350 0.000 0.000 0.285 500 T C -0.195 174.298 174.700 -0.345 0.000 1.021 500 T CA -0.263 61.619 62.100 -0.363 0.000 1.042 500 T CB 1.036 69.708 68.868 -0.326 0.000 1.037 500 T HN 0.725 nan 8.240 nan 0.000 0.481 501 S N 2.920 118.509 115.700 -0.186 0.000 2.688 501 S HA 0.756 5.226 4.470 0.000 0.000 0.275 501 S C -1.720 172.819 174.600 -0.102 0.000 1.175 501 S CA -1.286 56.883 58.200 -0.051 0.000 0.818 501 S CB 1.357 64.649 63.200 0.152 0.000 1.157 501 S HN 0.628 nan 8.310 nan 0.000 0.482 502 R N 0.458 120.907 120.500 -0.085 0.000 2.502 502 R HA 0.744 5.084 4.340 0.000 0.000 0.300 502 R C -1.524 174.536 176.300 -0.400 0.000 0.984 502 R CA -0.563 55.384 56.100 -0.255 0.000 0.882 502 R CB 1.465 31.681 30.300 -0.139 0.000 1.180 502 R HN 0.580 nan 8.270 nan 0.000 0.444 503 V N 3.622 123.168 119.914 -0.612 0.000 2.815 503 V HA 0.618 4.738 4.120 0.000 0.000 0.314 503 V C -1.512 174.011 176.094 -0.952 0.000 1.064 503 V CA -0.662 61.314 62.300 -0.540 0.000 0.952 503 V CB 1.842 33.514 31.823 -0.252 0.000 1.020 503 V HN 0.732 nan 8.190 nan 0.000 0.439 504 Y N 5.849 125.970 120.300 -0.298 0.000 2.513 504 Y HA 0.422 4.972 4.550 0.000 0.000 0.341 504 Y C -2.449 173.298 175.900 -0.255 0.000 1.075 504 Y CA -2.034 55.681 58.100 -0.640 0.000 1.190 504 Y CB 1.044 39.106 38.460 -0.663 0.000 1.111 504 Y HN 0.513 nan 8.280 nan 0.000 0.644 505 P HA 0.165 nan 4.420 nan 0.000 0.278 505 P C 0.143 177.628 177.300 0.308 0.000 1.238 505 P CA -0.362 62.834 63.100 0.160 0.000 0.794 505 P CB 2.036 33.814 31.700 0.130 0.000 0.955 506 K N 1.714 122.242 120.400 0.213 0.000 2.323 506 K HA 0.171 4.492 4.320 0.000 0.000 0.197 506 K C 1.657 178.343 176.600 0.144 0.000 1.043 506 K CA 0.669 57.072 56.287 0.193 0.000 0.997 506 K CB 0.000 32.580 32.500 0.134 0.000 0.807 506 K HN 0.452 nan 8.250 nan 0.000 0.497 507 L N -0.108 121.194 121.223 0.133 0.000 2.500 507 L HA 0.230 4.570 4.340 0.000 0.000 0.219 507 L C 0.818 177.775 176.870 0.144 0.000 1.057 507 L CA -0.007 54.904 54.840 0.117 0.000 0.854 507 L CB 0.263 42.377 42.059 0.092 0.000 1.078 507 L HN -0.167 nan 8.230 nan 0.000 0.480 508 A N 2.149 125.066 122.820 0.163 0.000 2.922 508 A HA 0.566 4.886 4.320 0.000 0.000 0.298 508 A C -0.139 177.571 177.584 0.210 0.000 1.588 508 A CA -0.164 51.983 52.037 0.184 0.000 1.288 508 A CB -1.103 17.996 19.000 0.165 0.000 1.130 508 A HN 0.331 nan 8.150 nan 0.000 0.557 509 I N -2.503 118.186 120.570 0.198 0.000 2.913 509 I HA 0.815 4.985 4.170 0.000 0.000 0.302 509 I C 0.682 176.901 176.117 0.169 0.000 1.246 509 I CA -0.486 60.940 61.300 0.210 0.000 1.010 509 I CB 1.549 39.655 38.000 0.177 0.000 1.259 509 I HN 0.835 nan 8.210 nan 0.000 0.434 510 G N 4.657 113.574 108.800 0.195 0.000 2.622 510 G HA2 -0.380 3.580 3.960 0.000 0.000 0.307 510 G HA3 -0.380 3.580 3.960 0.000 0.000 0.307 510 G C 0.603 175.576 174.900 0.123 0.000 1.226 510 G CA 0.909 46.100 45.100 0.151 0.000 0.997 510 G HN 1.209 nan 8.290 nan 0.000 0.551 511 K N 0.265 120.716 120.400 0.085 0.000 2.487 511 K HA 0.290 4.611 4.320 0.000 0.000 0.192 511 K C 1.326 177.961 176.600 0.057 0.000 1.027 511 K CA 1.449 57.770 56.287 0.056 0.000 1.054 511 K CB 0.057 32.583 32.500 0.042 0.000 0.824 511 K HN 0.930 nan 8.250 nan 0.000 0.510 512 S N 0.403 116.164 115.700 0.102 0.000 2.560 512 S HA 0.276 4.746 4.470 0.000 0.000 0.227 512 S C -0.660 174.078 174.600 0.229 0.000 1.280 512 S CA -0.847 57.450 58.200 0.162 0.000 1.260 512 S CB 0.329 63.624 63.200 0.158 0.000 1.002 512 S HN 0.159 nan 8.310 nan 0.000 0.509 513 S N 1.287 117.079 115.700 0.153 0.000 2.542 513 S HA 0.722 5.193 4.470 0.000 0.000 0.293 513 S C -1.162 173.497 174.600 0.097 0.000 1.089 513 S CA -0.769 57.555 58.200 0.207 0.000 0.961 513 S CB 0.957 64.222 63.200 0.108 0.000 1.062 513 S HN 0.692 nan 8.310 nan 0.000 0.483 514 H N -0.014 119.084 119.070 0.047 0.000 2.895 514 H HA 0.738 5.294 4.556 0.000 0.000 0.373 514 H C -1.103 174.170 175.328 -0.092 0.000 1.174 514 H CA -0.642 55.376 56.048 -0.050 0.000 1.144 514 H CB 1.034 30.822 29.762 0.044 0.000 1.793 514 H HN 0.375 nan 8.280 nan 0.000 0.551 515 L N 1.264 122.345 121.223 -0.236 0.000 2.303 515 L HA 0.693 5.033 4.340 0.000 0.000 0.266 515 L C -1.563 174.985 176.870 -0.538 0.000 1.011 515 L CA -0.585 54.123 54.840 -0.219 0.000 0.818 515 L CB 1.008 42.941 42.059 -0.211 0.000 1.326 515 L HN 0.588 nan 8.230 nan 0.000 0.435 516 F N 1.184 121.054 119.950 -0.133 0.000 2.622 516 F HA 0.618 5.146 4.527 0.000 0.000 0.318 516 F C -0.393 175.306 175.800 -0.168 0.000 1.135 516 F CA -0.629 57.268 58.000 -0.172 0.000 1.015 516 F CB 1.742 40.602 39.000 -0.234 0.000 1.275 516 F HN 0.479 nan 8.300 nan 0.000 0.457 517 A N 5.317 128.208 122.820 0.118 0.000 2.256 517 A HA 0.806 5.126 4.320 0.000 0.000 0.317 517 A C -0.836 176.921 177.584 0.288 0.000 1.318 517 A CA -0.485 51.672 52.037 0.199 0.000 0.894 517 A CB -0.008 19.085 19.000 0.155 0.000 1.165 517 A HN 0.745 nan 8.150 nan 0.000 0.525 518 F N 0.762 120.728 119.950 0.027 0.000 2.661 518 F HA 0.886 5.413 4.527 0.000 0.000 0.347 518 F C -0.252 175.444 175.800 -0.175 0.000 1.086 518 F CA -1.400 56.479 58.000 -0.203 0.000 1.016 518 F CB 1.844 40.505 39.000 -0.566 0.000 1.368 518 F HN 0.449 nan 8.300 nan 0.000 0.505 519 N N 0.142 118.588 118.700 -0.423 0.000 3.321 519 N HA 0.144 4.884 4.740 0.000 0.000 0.217 519 N C -1.858 173.455 175.510 -0.329 0.000 1.405 519 N CA -0.484 52.334 53.050 -0.385 0.000 0.799 519 N CB -0.252 38.122 38.487 -0.188 0.000 1.619 519 N HN 0.769 nan 8.380 nan 0.000 0.648 520 Y N 0.736 120.807 120.300 -0.380 0.000 2.470 520 Y HA 0.350 4.900 4.550 0.000 0.000 0.284 520 Y C 1.748 177.493 175.900 -0.259 0.000 1.188 520 Y CA -0.426 57.507 58.100 -0.279 0.000 1.269 520 Y CB 0.777 39.055 38.460 -0.303 0.000 1.094 520 Y HN 0.524 nan 8.280 nan 0.000 0.518 521 G N -0.779 107.963 108.800 -0.097 0.000 2.563 521 G HA2 0.043 4.003 3.960 0.000 0.000 0.283 521 G HA3 0.043 4.003 3.960 0.000 0.000 0.283 521 G C -0.181 174.688 174.900 -0.050 0.000 1.309 521 G CA -0.244 44.803 45.100 -0.089 0.000 1.022 521 G HN 0.108 nan 8.290 nan 0.000 0.501 522 Y N -0.162 120.148 120.300 0.016 0.000 2.337 522 Y HA -0.015 4.535 4.550 0.000 0.000 0.247 522 Y C 2.037 177.938 175.900 0.000 0.000 1.036 522 Y CA 1.065 59.175 58.100 0.017 0.000 1.041 522 Y CB -0.566 37.914 38.460 0.034 0.000 1.021 522 Y HN 0.202 nan 8.280 nan 0.000 0.473 523 Q N 1.169 121.094 119.800 0.208 0.000 2.326 523 Q HA -0.005 4.335 4.340 0.000 0.000 0.314 523 Q C -0.293 175.713 176.000 0.010 0.000 1.091 523 Q CA 0.383 56.234 55.803 0.079 0.000 0.974 523 Q CB 0.247 29.015 28.738 0.050 0.000 1.220 523 Q HN 0.245 nan 8.270 nan 0.000 0.398 524 S N 1.272 116.959 115.700 -0.021 0.000 2.513 524 S HA 0.433 4.903 4.470 0.000 0.000 0.276 524 S C 0.275 174.794 174.600 -0.135 0.000 1.254 524 S CA -0.829 57.329 58.200 -0.069 0.000 1.053 524 S CB 0.868 64.047 63.200 -0.035 0.000 0.958 524 S HN 0.434 nan 8.310 nan 0.000 0.491 525 V N 0.279 120.050 119.914 -0.239 0.000 3.093 525 V HA 0.673 4.793 4.120 0.000 0.000 0.320 525 V C -0.475 175.517 176.094 -0.170 0.000 1.093 525 V CA -0.985 61.124 62.300 -0.318 0.000 1.016 525 V CB 1.420 32.769 31.823 -0.789 0.000 1.096 525 V HN 0.602 nan 8.190 nan 0.000 0.452 526 D N 0.529 120.868 120.400 -0.102 0.000 2.252 526 D HA 0.536 5.176 4.640 0.000 0.000 0.245 526 D C -0.883 175.449 176.300 0.053 0.000 1.009 526 D CA -0.200 53.788 54.000 -0.019 0.000 0.870 526 D CB 2.369 43.154 40.800 -0.024 0.000 1.251 526 D HN 0.482 nan 8.370 nan 0.000 0.460 527 V N 3.242 123.180 119.914 0.039 0.000 2.320 527 V HA 0.036 4.156 4.120 0.000 0.000 0.265 527 V C 1.429 177.502 176.094 -0.036 0.000 1.048 527 V CA -0.374 61.925 62.300 -0.002 0.000 0.865 527 V CB 1.028 32.841 31.823 -0.017 0.000 1.043 527 V HN 0.425 nan 8.190 nan 0.000 0.474 528 L N 4.323 125.521 121.223 -0.041 0.000 2.201 528 L HA 0.130 4.470 4.340 0.000 0.000 0.212 528 L C 0.854 177.693 176.870 -0.051 0.000 1.105 528 L CA 1.740 56.559 54.840 -0.035 0.000 0.775 528 L CB -0.276 41.770 42.059 -0.022 0.000 0.913 528 L HN 0.893 nan 8.230 nan 0.000 0.440 529 N N -1.915 116.733 118.700 -0.086 0.000 3.545 529 N HA 0.381 5.121 4.740 0.000 0.000 0.227 529 N C -2.387 173.033 175.510 -0.149 0.000 1.380 529 N CA -0.551 52.444 53.050 -0.092 0.000 0.892 529 N CB 0.679 39.130 38.487 -0.061 0.000 1.441 529 N HN -0.094 nan 8.380 nan 0.000 0.497 530 L N 1.826 122.954 121.223 -0.157 0.000 2.751 530 L HA 0.485 4.825 4.340 0.000 0.000 0.261 530 L C -2.072 174.633 176.870 -0.274 0.000 0.927 530 L CA -0.313 54.398 54.840 -0.215 0.000 0.968 530 L CB 1.458 43.393 42.059 -0.207 0.000 1.432 530 L HN 0.635 nan 8.230 nan 0.000 0.439 531 N N 3.983 122.433 118.700 -0.417 0.000 2.399 531 N HA 0.836 5.576 4.740 0.000 0.000 0.280 531 N C -1.116 173.787 175.510 -1.012 0.000 1.008 531 N CA -0.584 52.026 53.050 -0.733 0.000 0.894 531 N CB 2.158 40.109 38.487 -0.894 0.000 1.273 531 N HN 0.777 nan 8.380 nan 0.000 0.486 532 A N 2.903 125.236 122.820 -0.811 0.000 2.287 532 A HA 0.529 4.850 4.320 0.000 0.000 0.317 532 A C -1.258 175.995 177.584 -0.551 0.000 1.220 532 A CA -0.604 51.088 52.037 -0.575 0.000 0.835 532 A CB 0.824 19.641 19.000 -0.305 0.000 1.180 532 A HN 0.639 nan 8.150 nan 0.000 0.500 533 W N 2.222 123.480 121.300 -0.071 0.000 2.532 533 W HA 0.400 5.060 4.660 0.000 0.000 0.321 533 W C -0.058 176.407 176.519 -0.090 0.000 1.037 533 W CA -0.878 56.419 57.345 -0.080 0.000 1.220 533 W CB 1.835 31.237 29.460 -0.098 0.000 1.361 533 W HN 0.628 nan 8.180 nan 0.000 0.468 534 S N 3.327 119.102 115.700 0.126 0.000 2.573 534 S HA 0.329 4.799 4.470 0.000 0.000 0.277 534 S C 0.275 174.891 174.600 0.028 0.000 1.346 534 S CA -0.013 58.220 58.200 0.054 0.000 1.034 534 S CB 0.395 63.618 63.200 0.038 0.000 0.879 534 S HN 0.218 nan 8.310 nan 0.000 0.528 535 M N 3.244 122.841 119.600 -0.004 0.000 2.134 535 M HA 0.293 4.773 4.480 0.000 0.000 0.310 535 M C -0.175 176.128 176.300 0.005 0.000 0.966 535 M CA -0.291 54.954 55.300 -0.092 0.000 0.922 535 M CB 1.018 33.427 32.600 -0.317 0.000 1.537 535 M HN 0.631 nan 8.290 nan 0.000 0.424 536 N N 0.410 119.097 118.700 -0.021 0.000 2.326 536 N HA 0.206 4.946 4.740 0.000 0.000 0.239 536 N C -0.047 175.509 175.510 0.077 0.000 1.301 536 N CA -0.066 52.999 53.050 0.025 0.000 0.909 536 N CB 0.722 39.206 38.487 -0.006 0.000 1.156 536 N HN 0.504 nan 8.380 nan 0.000 0.462 537 S N 0.027 115.781 115.700 0.090 0.000 2.603 537 S HA 0.434 4.904 4.470 0.000 0.000 0.268 537 S C -0.193 174.465 174.600 0.097 0.000 1.317 537 S CA -0.808 57.464 58.200 0.120 0.000 1.012 537 S CB 1.074 64.325 63.200 0.086 0.000 0.926 537 S HN 0.598 nan 8.310 nan 0.000 0.539 538 A N 1.829 124.727 122.820 0.131 0.000 2.337 538 A HA 0.449 4.769 4.320 0.000 0.000 0.329 538 A C -0.347 177.305 177.584 0.113 0.000 1.146 538 A CA -0.838 51.270 52.037 0.118 0.000 0.800 538 A CB 0.567 19.673 19.000 0.177 0.000 1.220 538 A HN 0.788 nan 8.150 nan 0.000 0.472 539 Q N 2.243 122.095 119.800 0.088 0.000 2.409 539 Q HA 0.229 4.569 4.340 0.000 0.000 0.240 539 Q C -0.346 175.747 176.000 0.155 0.000 1.226 539 Q CA 0.422 56.275 55.803 0.083 0.000 0.895 539 Q CB -0.574 28.187 28.738 0.038 0.000 1.491 539 Q HN 0.659 nan 8.270 nan 0.000 0.509 540 I N -1.584 119.089 120.570 0.171 0.000 2.412 540 I HA 0.724 4.894 4.170 0.000 0.000 0.296 540 I C -0.231 175.983 176.117 0.162 0.000 0.987 540 I CA -0.531 60.925 61.300 0.261 0.000 1.180 540 I CB 1.840 39.980 38.000 0.235 0.000 1.340 540 I HN 0.178 nan 8.210 nan 0.000 0.455 541 S N 0.000 115.838 115.700 0.230 0.000 2.498 541 S HA 0.000 4.470 4.470 0.000 0.000 0.327 541 S CA 0.000 58.269 58.200 0.115 0.000 1.107 541 S CB 0.000 63.237 63.200 0.062 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517