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 2ae3_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNSWAVAPGK TANGNALLLQ NPHLSWTTDY FTYYEAHLVT PDFEIYGATQ DATA SEQUENCE IGLPVIKFAF NQRMGITNTV NGMVGATNYR LTLQDGGYLY DGQVRPFERP DATA SEQUENCE QASYRLRQAD GTTVDKPLEI RSSVHGPVFE RADGTAVAVR VAGLDRPGML DATA SEQUENCE EQYFDMITAD SFDDYEAALA RMQVPTFNIV YADREGTINY SFNGVAPKRA DATA SEQUENCE EGDIAFWQGL VPGDSSRYLW TETHPLDDLP RVTNPPGGFV QNSNDPPWTP DATA SEQUENCE TWPVTYTPKD FPSYLAPQTP HSLRAQQSVR LMSENDDLTL ERFMALQLSH DATA SEQUENCE RAVMADRTLP DLIPAALIDP DPEVQAAARL LAAWDREFTS DSRAALLFEE DATA SEQUENCE WARLFAGQNF AGQAGFATPW SLDKPVSTPY GVRDPKAAVD QLRTAIANTK DATA SEQUENCE RKYGAIDRPF GDASRMILND VNVPGAAGYG NLGSFRVFTW SDPDENGVRT DATA SEQUENCE PVHGETWVAM IEFSTPVRAY GLMSYGNSRQ PGTTHYSDQI ERVSRADFRE DATA SEQUENCE LLLRREQVEA AVQERTPFNF KP 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.351 174.600 -0.415 0.000 1.055 1 S CA 0.000 57.876 58.200 -0.539 0.000 1.107 1 S CB 0.000 63.096 63.200 -0.173 0.000 0.593 2 N N 1.256 119.620 118.700 -0.560 0.000 2.328 2 N HA 0.816 5.556 4.740 -0.000 0.000 0.299 2 N C -1.267 174.109 175.510 -0.224 0.000 1.179 2 N CA -0.721 52.090 53.050 -0.399 0.000 0.793 2 N CB 2.032 40.040 38.487 -0.797 0.000 1.366 2 N HN 0.784 nan 8.380 nan 0.000 0.493 3 S N -0.406 115.249 115.700 -0.074 0.000 2.562 3 S HA 0.591 5.061 4.470 -0.000 0.000 0.274 3 S C -1.897 172.868 174.600 0.275 0.000 1.160 3 S CA -0.954 57.299 58.200 0.089 0.000 0.933 3 S CB 1.131 64.454 63.200 0.204 0.000 1.100 3 S HN 0.447 nan 8.310 nan 0.000 0.468 4 W N 1.311 122.775 121.300 0.273 0.000 2.785 4 W HA 0.818 5.478 4.660 -0.000 0.000 0.333 4 W C -0.310 176.409 176.519 0.333 0.000 1.062 4 W CA -1.158 56.380 57.345 0.322 0.000 1.233 4 W CB 2.149 31.813 29.460 0.339 0.000 1.413 4 W HN 1.088 nan 8.180 nan 0.000 0.489 5 A N 2.192 125.322 122.820 0.516 0.000 2.393 5 A HA 0.861 5.181 4.320 -0.000 0.000 0.306 5 A C -1.692 176.042 177.584 0.250 0.000 1.050 5 A CA -0.618 51.613 52.037 0.322 0.000 0.724 5 A CB 1.646 20.788 19.000 0.237 0.000 1.248 5 A HN 0.286 nan 8.150 nan 0.000 0.424 6 V N 1.718 121.697 119.914 0.109 0.000 2.531 6 V HA 0.662 4.782 4.120 -0.000 0.000 0.301 6 V C 0.654 176.748 176.094 0.001 0.000 1.034 6 V CA -0.396 61.934 62.300 0.049 0.000 0.865 6 V CB 1.362 33.130 31.823 -0.092 0.000 0.995 6 V HN 1.334 nan 8.190 nan 0.000 0.424 7 A N 6.255 129.088 122.820 0.021 0.000 2.366 7 A HA 0.592 4.912 4.320 -0.000 0.000 0.249 7 A C -1.430 176.140 177.584 -0.024 0.000 1.084 7 A CA -1.076 50.956 52.037 -0.008 0.000 0.794 7 A CB 0.110 19.109 19.000 -0.002 0.000 1.034 7 A HN 0.685 nan 8.150 nan 0.000 0.491 8 P HA -0.143 nan 4.420 nan 0.000 0.216 8 P C 1.584 178.867 177.300 -0.028 0.000 1.150 8 P CA 1.993 65.074 63.100 -0.031 0.000 0.843 8 P CB 0.066 31.751 31.700 -0.024 0.000 0.787 9 G N -0.349 108.439 108.800 -0.020 0.000 2.470 9 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 9 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 9 G C 1.466 176.355 174.900 -0.018 0.000 1.121 9 G CA 0.488 45.578 45.100 -0.017 0.000 0.766 9 G HN 0.298 nan 8.290 nan 0.000 0.553 10 K N 0.636 121.025 120.400 -0.018 0.000 2.458 10 K HA 0.105 4.425 4.320 -0.000 0.000 0.194 10 K C 0.509 177.077 176.600 -0.054 0.000 1.024 10 K CA 0.318 56.589 56.287 -0.026 0.000 1.108 10 K CB 0.084 32.580 32.500 -0.006 0.000 0.846 10 K HN 0.396 nan 8.250 nan 0.000 0.518 11 T N -4.519 110.002 114.554 -0.056 0.000 2.932 11 T HA 0.547 4.897 4.350 -0.000 0.000 0.289 11 T C 1.089 175.756 174.700 -0.055 0.000 1.039 11 T CA -0.572 61.485 62.100 -0.071 0.000 1.024 11 T CB 1.859 70.675 68.868 -0.087 0.000 1.090 11 T HN -0.040 nan 8.240 nan 0.000 0.496 12 A N 1.850 124.637 122.820 -0.056 0.000 1.858 12 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 12 A C 2.092 179.653 177.584 -0.038 0.000 1.190 12 A CA 1.437 53.448 52.037 -0.044 0.000 0.617 12 A CB -0.954 18.020 19.000 -0.043 0.000 0.827 12 A HN 0.801 nan 8.150 nan 0.000 0.443 13 N N -1.451 117.223 118.700 -0.042 0.000 2.424 13 N HA 0.172 4.912 4.740 -0.000 0.000 0.178 13 N C 1.045 176.537 175.510 -0.029 0.000 1.060 13 N CA 1.143 54.173 53.050 -0.034 0.000 0.901 13 N CB 0.391 38.856 38.487 -0.037 0.000 0.979 13 N HN 0.723 nan 8.380 nan 0.000 0.451 14 G N 0.631 109.411 108.800 -0.034 0.000 2.140 14 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.211 14 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.211 14 G C -0.621 174.266 174.900 -0.021 0.000 1.013 14 G CA -0.359 44.725 45.100 -0.026 0.000 0.705 14 G HN 0.430 nan 8.290 nan 0.000 0.508 15 N N -0.018 118.666 118.700 -0.028 0.000 2.269 15 N HA 0.716 5.456 4.740 -0.000 0.000 0.304 15 N C 0.253 175.751 175.510 -0.020 0.000 1.072 15 N CA -0.227 52.819 53.050 -0.007 0.000 0.802 15 N CB 1.750 40.236 38.487 -0.001 0.000 1.348 15 N HN 0.571 nan 8.380 nan 0.000 0.484 16 A N 1.708 124.544 122.820 0.027 0.000 2.445 16 A HA 0.416 4.736 4.320 -0.000 0.000 0.242 16 A C -0.385 177.207 177.584 0.014 0.000 1.075 16 A CA -0.020 52.026 52.037 0.015 0.000 0.777 16 A CB -0.002 19.007 19.000 0.016 0.000 1.013 16 A HN 0.616 nan 8.150 nan 0.000 0.493 17 L N 1.355 122.493 121.223 -0.142 0.000 2.342 17 L HA 0.675 5.015 4.340 -0.000 0.000 0.271 17 L C -0.743 176.023 176.870 -0.174 0.000 1.008 17 L CA -0.826 53.789 54.840 -0.375 0.000 0.818 17 L CB 1.685 43.129 42.059 -1.025 0.000 1.296 17 L HN 0.655 nan 8.230 nan 0.000 0.427 18 L N 3.119 124.315 121.223 -0.044 0.000 2.408 18 L HA 0.636 4.976 4.340 -0.000 0.000 0.268 18 L C -1.511 175.576 176.870 0.361 0.000 0.986 18 L CA -0.460 54.517 54.840 0.229 0.000 0.820 18 L CB 2.055 44.276 42.059 0.270 0.000 1.303 18 L HN 0.474 nan 8.230 nan 0.000 0.411 19 L N 4.020 125.514 121.223 0.452 0.000 2.305 19 L HA 0.587 4.927 4.340 -0.000 0.000 0.284 19 L C -0.953 175.986 176.870 0.115 0.000 1.013 19 L CA 0.121 55.104 54.840 0.239 0.000 0.819 19 L CB 1.589 43.718 42.059 0.117 0.000 1.227 19 L HN 0.724 nan 8.230 nan 0.000 0.417 20 Q N 4.602 124.415 119.800 0.022 0.000 2.290 20 Q HA 0.412 4.752 4.340 -0.000 0.000 0.259 20 Q C -0.584 175.271 176.000 -0.242 0.000 0.941 20 Q CA -0.169 55.665 55.803 0.051 0.000 0.912 20 Q CB 1.358 30.239 28.738 0.239 0.000 1.244 20 Q HN 0.717 nan 8.270 nan 0.000 0.441 21 N N 2.235 120.770 118.700 -0.274 0.000 2.658 21 N HA 0.133 4.873 4.740 -0.000 0.000 0.238 21 N C -2.756 172.441 175.510 -0.522 0.000 1.495 21 N CA -1.075 51.716 53.050 -0.432 0.000 0.883 21 N CB 0.925 39.133 38.487 -0.465 0.000 1.463 21 N HN 0.333 nan 8.380 nan 0.000 0.531 22 P HA 0.009 nan 4.420 nan 0.000 0.267 22 P C -1.084 176.113 177.300 -0.172 0.000 1.205 22 P CA 0.726 63.612 63.100 -0.357 0.000 0.765 22 P CB 0.375 31.728 31.700 -0.579 0.000 0.828 23 H N 2.640 121.723 119.070 0.021 0.000 2.581 23 H HA 0.557 5.113 4.556 -0.000 0.000 0.308 23 H C 0.182 175.615 175.328 0.175 0.000 1.040 23 H CA -0.725 55.410 56.048 0.144 0.000 1.231 23 H CB 0.935 30.774 29.762 0.130 0.000 1.396 23 H HN 0.279 nan 8.280 nan 0.000 0.467 24 L N 0.843 122.221 121.223 0.258 0.000 2.502 24 L HA 0.280 4.620 4.340 -0.000 0.000 0.253 24 L C 0.068 176.979 176.870 0.068 0.000 1.070 24 L CA -1.068 53.689 54.840 -0.139 0.000 0.871 24 L CB 2.317 44.296 42.059 -0.133 0.000 1.487 24 L HN 0.453 nan 8.230 nan 0.000 0.408 25 S N -0.474 115.226 115.700 0.001 0.000 2.558 25 S HA -0.048 4.422 4.470 -0.000 0.000 0.291 25 S C 0.199 175.094 174.600 0.492 0.000 1.306 25 S CA 0.212 58.547 58.200 0.225 0.000 1.056 25 S CB 0.215 63.531 63.200 0.194 0.000 0.836 25 S HN 0.447 nan 8.310 nan 0.000 0.504 26 W N 2.573 123.992 121.300 0.199 0.000 2.800 26 W HA 0.124 4.784 4.660 -0.000 0.000 0.249 26 W C 2.346 178.911 176.519 0.077 0.000 1.294 26 W CA 0.712 58.222 57.345 0.276 0.000 1.402 26 W CB -1.147 28.490 29.460 0.294 0.000 1.126 26 W HN 0.941 nan 8.180 nan 0.000 0.652 27 T N -5.876 108.815 114.554 0.228 0.000 3.056 27 T HA 0.083 4.433 4.350 -0.000 0.000 0.243 27 T C 0.938 175.601 174.700 -0.061 0.000 0.995 27 T CA 0.180 62.322 62.100 0.069 0.000 1.091 27 T CB -0.572 68.342 68.868 0.077 0.000 0.990 27 T HN -0.280 nan 8.240 nan 0.000 0.464 28 T N 4.500 119.004 114.554 -0.083 0.000 2.750 28 T HA 0.053 4.403 4.350 -0.000 0.000 0.277 28 T C 1.079 175.539 174.700 -0.400 0.000 0.996 28 T CA 0.533 62.445 62.100 -0.312 0.000 1.195 28 T CB 0.521 69.159 68.868 -0.383 0.000 0.963 28 T HN 0.556 nan 8.240 nan 0.000 0.516 29 D N 3.815 123.960 120.400 -0.426 0.000 2.092 29 D HA -0.242 4.398 4.640 -0.000 0.000 0.193 29 D C 1.744 177.877 176.300 -0.278 0.000 0.994 29 D CA 1.723 55.547 54.000 -0.294 0.000 0.828 29 D CB -0.729 39.952 40.800 -0.198 0.000 0.963 29 D HN 0.833 nan 8.370 nan 0.000 0.450 30 Y N -1.247 118.914 120.300 -0.232 0.000 2.574 30 Y HA 0.187 4.737 4.550 -0.000 0.000 0.294 30 Y C 1.724 177.520 175.900 -0.174 0.000 1.142 30 Y CA -0.057 57.898 58.100 -0.242 0.000 1.314 30 Y CB -1.323 36.951 38.460 -0.310 0.000 0.991 30 Y HN -0.022 nan 8.280 nan 0.000 0.555 31 F N 0.493 120.328 119.950 -0.191 0.000 2.732 31 F HA 0.155 4.682 4.527 -0.000 0.000 0.303 31 F C 0.611 176.206 175.800 -0.342 0.000 1.110 31 F CA -0.466 57.409 58.000 -0.208 0.000 1.355 31 F CB 0.168 39.078 39.000 -0.151 0.000 1.081 31 F HN -0.141 nan 8.300 nan 0.000 0.565 32 T N 0.681 115.156 114.554 -0.132 0.000 2.834 32 T HA 0.073 4.423 4.350 -0.000 0.000 0.298 32 T C -0.556 174.084 174.700 -0.099 0.000 0.966 32 T CA 0.254 62.248 62.100 -0.176 0.000 1.141 32 T CB 0.170 68.909 68.868 -0.215 0.000 0.905 32 T HN 0.015 nan 8.240 nan 0.000 0.535 33 Y N 1.908 122.368 120.300 0.266 0.000 2.320 33 Y HA 0.463 5.013 4.550 -0.000 0.000 0.324 33 Y C -0.197 175.849 175.900 0.243 0.000 1.190 33 Y CA -0.853 57.383 58.100 0.226 0.000 1.215 33 Y CB 1.028 39.591 38.460 0.171 0.000 1.221 33 Y HN 0.592 nan 8.280 nan 0.000 0.486 34 Y N 2.632 123.016 120.300 0.140 0.000 2.406 34 Y HA 0.312 4.862 4.550 -0.000 0.000 0.340 34 Y C -0.843 174.964 175.900 -0.155 0.000 0.975 34 Y CA -1.473 56.628 58.100 0.002 0.000 1.056 34 Y CB 1.397 39.846 38.460 -0.018 0.000 1.210 34 Y HN 0.653 nan 8.280 nan 0.000 0.448 35 E N 4.298 124.075 120.200 -0.705 0.000 2.231 35 E HA 0.800 5.150 4.350 -0.000 0.000 0.277 35 E C -1.458 174.584 176.600 -0.931 0.000 0.999 35 E CA -0.527 55.394 56.400 -0.797 0.000 0.827 35 E CB 1.121 30.466 29.700 -0.592 0.000 1.101 35 E HN 0.852 nan 8.360 nan 0.000 0.393 36 A N 3.888 126.237 122.820 -0.785 0.000 2.566 36 A HA 0.384 4.704 4.320 -0.000 0.000 0.290 36 A C -1.912 175.278 177.584 -0.658 0.000 1.071 36 A CA -0.640 51.028 52.037 -0.615 0.000 0.658 36 A CB 1.598 20.349 19.000 -0.415 0.000 1.285 36 A HN 0.757 nan 8.150 nan 0.000 0.427 37 H N 0.759 119.531 119.070 -0.497 0.000 3.018 37 H HA 0.584 5.140 4.556 -0.000 0.000 0.334 37 H C -2.207 173.048 175.328 -0.123 0.000 0.983 37 H CA -0.441 55.392 56.048 -0.359 0.000 1.363 37 H CB 0.999 30.618 29.762 -0.238 0.000 1.668 37 H HN 0.457 nan 8.280 nan 0.000 0.513 38 L N 5.242 126.248 121.223 -0.361 0.000 2.334 38 L HA 0.481 4.821 4.340 -0.000 0.000 0.276 38 L C -0.578 176.051 176.870 -0.401 0.000 1.014 38 L CA -0.724 53.967 54.840 -0.249 0.000 0.815 38 L CB 1.903 43.987 42.059 0.043 0.000 1.268 38 L HN 0.375 nan 8.230 nan 0.000 0.428 39 V N 1.081 120.772 119.914 -0.372 0.000 2.668 39 V HA 0.767 4.887 4.120 -0.000 0.000 0.304 39 V C -0.147 175.716 176.094 -0.385 0.000 1.071 39 V CA -0.515 61.561 62.300 -0.374 0.000 0.894 39 V CB 2.035 33.717 31.823 -0.235 0.000 1.008 39 V HN 0.904 nan 8.190 nan 0.000 0.425 40 T N 1.815 116.045 114.554 -0.541 0.000 2.742 40 T HA 0.603 4.953 4.350 -0.000 0.000 0.282 40 T C -2.290 172.269 174.700 -0.236 0.000 1.025 40 T CA -1.782 60.081 62.100 -0.394 0.000 1.020 40 T CB 2.058 70.605 68.868 -0.534 0.000 1.317 40 T HN 0.342 nan 8.240 nan 0.000 0.538 41 P HA 0.111 nan 4.420 nan 0.000 0.220 41 P C 0.516 177.807 177.300 -0.016 0.000 1.148 41 P CA 0.827 63.898 63.100 -0.049 0.000 0.803 41 P CB 0.076 31.767 31.700 -0.016 0.000 0.782 42 D N -1.900 118.500 120.400 -0.000 0.000 2.389 42 D HA 0.155 4.795 4.640 -0.000 0.000 0.206 42 D C 0.468 176.904 176.300 0.227 0.000 1.055 42 D CA 0.355 54.426 54.000 0.119 0.000 0.856 42 D CB 0.399 41.314 40.800 0.192 0.000 0.957 42 D HN 0.271 nan 8.370 nan 0.000 0.509 43 F N -0.407 119.570 119.950 0.044 0.000 2.713 43 F HA 0.604 5.131 4.527 -0.000 0.000 0.311 43 F C -1.551 174.262 175.800 0.021 0.000 1.141 43 F CA -1.236 56.781 58.000 0.028 0.000 0.939 43 F CB 1.704 40.715 39.000 0.017 0.000 1.325 43 F HN -0.321 nan 8.300 nan 0.000 0.453 44 E N 2.410 122.778 120.200 0.280 0.000 2.304 44 E HA 0.688 5.038 4.350 -0.000 0.000 0.277 44 E C -1.818 174.919 176.600 0.228 0.000 0.898 44 E CA -0.874 55.610 56.400 0.141 0.000 0.764 44 E CB 2.544 32.298 29.700 0.091 0.000 1.216 44 E HN 0.843 nan 8.360 nan 0.000 0.419 45 I N 1.037 121.707 120.570 0.168 0.000 2.722 45 I HA 0.584 4.753 4.170 -0.000 0.000 0.295 45 I C -1.739 174.405 176.117 0.045 0.000 1.161 45 I CA -1.093 60.279 61.300 0.120 0.000 1.032 45 I CB 1.842 39.939 38.000 0.161 0.000 1.244 45 I HN 0.565 nan 8.210 nan 0.000 0.421 46 Y N 3.891 124.090 120.300 -0.169 0.000 2.425 46 Y HA 0.852 5.402 4.550 -0.000 0.000 0.344 46 Y C 0.092 175.812 175.900 -0.301 0.000 0.969 46 Y CA 0.360 58.305 58.100 -0.257 0.000 1.052 46 Y CB 2.121 40.233 38.460 -0.581 0.000 1.215 46 Y HN 1.104 nan 8.280 nan 0.000 0.451 47 G N 1.996 110.623 108.800 -0.287 0.000 2.351 47 G HA2 0.478 4.437 3.960 -0.000 0.000 0.279 47 G HA3 0.478 4.437 3.960 -0.000 0.000 0.279 47 G C -2.095 172.514 174.900 -0.484 0.000 1.297 47 G CA -0.329 44.722 45.100 -0.082 0.000 0.886 47 G HN 0.997 nan 8.290 nan 0.000 0.493 48 A N -1.053 121.450 122.820 -0.529 0.000 2.355 48 A HA 0.965 5.285 4.320 -0.000 0.000 0.324 48 A C -0.123 177.448 177.584 -0.021 0.000 1.117 48 A CA 0.277 51.957 52.037 -0.595 0.000 0.785 48 A CB 2.034 20.228 19.000 -1.344 0.000 1.254 48 A HN 1.714 nan 8.150 nan 0.000 0.453 49 T N 0.103 114.744 114.554 0.146 0.000 2.816 49 T HA 0.447 4.796 4.350 -0.000 0.000 0.299 49 T C -1.122 173.777 174.700 0.331 0.000 1.230 49 T CA -0.435 61.848 62.100 0.305 0.000 1.007 49 T CB 1.230 70.173 68.868 0.125 0.000 1.289 49 T HN 0.719 nan 8.240 nan 0.000 0.508 50 Q N 1.756 121.673 119.800 0.195 0.000 2.327 50 Q HA 0.466 4.805 4.340 -0.000 0.000 0.254 50 Q C 0.305 176.322 176.000 0.029 0.000 0.952 50 Q CA -0.433 55.378 55.803 0.012 0.000 0.884 50 Q CB 0.722 29.452 28.738 -0.014 0.000 1.224 50 Q HN 0.640 nan 8.270 nan 0.000 0.422 51 I N -1.156 119.408 120.570 -0.010 0.000 2.710 51 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 51 I C 1.087 177.173 176.117 -0.052 0.000 1.181 51 I CA 0.604 61.873 61.300 -0.052 0.000 1.430 51 I CB 0.061 37.995 38.000 -0.111 0.000 1.367 51 I HN 0.846 nan 8.210 nan 0.000 0.577 52 G N 4.807 113.565 108.800 -0.070 0.000 2.234 52 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.235 52 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.235 52 G C 0.141 175.013 174.900 -0.047 0.000 0.997 52 G CA -0.056 45.005 45.100 -0.064 0.000 0.623 52 G HN 0.645 nan 8.290 nan 0.000 0.514 53 L N 2.201 123.407 121.223 -0.029 0.000 2.367 53 L HA 0.333 4.673 4.340 -0.000 0.000 0.275 53 L C -0.463 176.390 176.870 -0.028 0.000 1.129 53 L CA -1.201 53.622 54.840 -0.028 0.000 0.839 53 L CB 0.985 43.031 42.059 -0.022 0.000 1.133 53 L HN 0.056 nan 8.230 nan 0.000 0.453 54 P HA 0.037 nan 4.420 nan 0.000 0.255 54 P C -0.332 176.949 177.300 -0.032 0.000 1.248 54 P CA 0.305 63.373 63.100 -0.052 0.000 0.807 54 P CB 0.263 31.912 31.700 -0.086 0.000 1.150 55 V N -2.906 117.004 119.914 -0.007 0.000 2.823 55 V HA 0.520 4.640 4.120 -0.000 0.000 0.312 55 V C -0.220 175.893 176.094 0.031 0.000 1.072 55 V CA -1.465 60.867 62.300 0.054 0.000 0.937 55 V CB 2.368 34.257 31.823 0.109 0.000 1.013 55 V HN -0.230 nan 8.190 nan 0.000 0.430 56 I N 3.295 123.918 120.570 0.089 0.000 2.363 56 I HA 0.273 4.443 4.170 -0.000 0.000 0.292 56 I C 1.445 177.612 176.117 0.084 0.000 1.075 56 I CA -0.204 61.141 61.300 0.075 0.000 1.333 56 I CB 1.092 39.136 38.000 0.075 0.000 1.415 56 I HN 0.911 nan 8.210 nan 0.000 0.502 57 K N 5.536 125.912 120.400 -0.039 0.000 2.002 57 K HA -0.080 4.240 4.320 -0.000 0.000 0.209 57 K C 0.228 176.764 176.600 -0.106 0.000 1.048 57 K CA 1.573 57.714 56.287 -0.243 0.000 0.930 57 K CB 0.117 32.493 32.500 -0.208 0.000 0.714 57 K HN 0.394 nan 8.250 nan 0.000 0.438 58 F N 0.975 120.994 119.950 0.116 0.000 2.359 58 F HA 0.369 4.896 4.527 -0.000 0.000 0.355 58 F C -0.056 175.913 175.800 0.281 0.000 1.132 58 F CA -0.848 57.278 58.000 0.211 0.000 1.246 58 F CB 1.009 40.126 39.000 0.194 0.000 1.569 58 F HN 0.009 nan 8.300 nan 0.000 0.561 59 A N 3.383 126.444 122.820 0.401 0.000 2.337 59 A HA 0.941 5.261 4.320 -0.000 0.000 0.331 59 A C -0.992 176.878 177.584 0.478 0.000 1.137 59 A CA -0.496 51.752 52.037 0.351 0.000 0.807 59 A CB 1.235 20.383 19.000 0.246 0.000 1.250 59 A HN 0.601 nan 8.150 nan 0.000 0.468 60 F N -0.039 120.101 119.950 0.318 0.000 2.741 60 F HA 0.807 5.334 4.527 -0.000 0.000 0.313 60 F C -0.759 175.224 175.800 0.305 0.000 1.153 60 F CA -0.878 57.309 58.000 0.313 0.000 0.931 60 F CB 1.128 40.330 39.000 0.336 0.000 1.335 60 F HN 0.754 nan 8.300 nan 0.000 0.460 61 N N -1.265 117.708 118.700 0.456 0.000 3.526 61 N HA 0.210 4.950 4.740 -0.000 0.000 0.328 61 N C -0.255 175.507 175.510 0.421 0.000 1.601 61 N CA -0.668 52.558 53.050 0.294 0.000 0.834 61 N CB 0.176 38.783 38.487 0.200 0.000 1.983 61 N HN 0.527 nan 8.380 nan 0.000 0.579 62 Q N -0.539 119.428 119.800 0.280 0.000 2.364 62 Q HA 0.023 4.363 4.340 -0.000 0.000 0.207 62 Q C 1.140 177.309 176.000 0.282 0.000 0.970 62 Q CA 1.093 57.047 55.803 0.251 0.000 0.888 62 Q CB 0.010 28.844 28.738 0.160 0.000 0.951 62 Q HN 0.584 nan 8.270 nan 0.000 0.469 63 R N -0.628 120.015 120.500 0.238 0.000 2.167 63 R HA 0.176 4.516 4.340 -0.000 0.000 0.201 63 R C 0.638 176.886 176.300 -0.085 0.000 1.024 63 R CA 0.503 56.672 56.100 0.114 0.000 1.053 63 R CB 0.548 30.892 30.300 0.074 0.000 0.987 63 R HN 0.244 nan 8.270 nan 0.000 0.493 64 M N -2.880 116.693 119.600 -0.044 0.000 2.813 64 M HA 0.643 5.123 4.480 -0.000 0.000 0.270 64 M C -0.931 175.345 176.300 -0.040 0.000 1.267 64 M CA -0.992 54.028 55.300 -0.466 0.000 0.822 64 M CB 2.361 34.735 32.600 -0.376 0.000 1.671 64 M HN -0.043 nan 8.290 nan 0.000 0.468 65 G N 0.592 109.264 108.800 -0.214 0.000 2.646 65 G HA2 0.737 4.697 3.960 -0.000 0.000 0.291 65 G HA3 0.737 4.697 3.960 -0.000 0.000 0.291 65 G C -1.847 173.061 174.900 0.014 0.000 1.445 65 G CA -0.835 44.385 45.100 0.201 0.000 0.814 65 G HN 1.315 nan 8.290 nan 0.000 0.495 66 I N -2.257 118.416 120.570 0.172 0.000 3.239 66 I HA 0.965 5.135 4.170 -0.000 0.000 0.314 66 I C -0.603 175.645 176.117 0.218 0.000 1.126 66 I CA -0.989 60.403 61.300 0.154 0.000 0.973 66 I CB 2.434 40.528 38.000 0.158 0.000 1.252 66 I HN 0.694 nan 8.210 nan 0.000 0.463 67 T N 0.796 115.451 114.554 0.169 0.000 2.821 67 T HA 0.529 4.879 4.350 -0.000 0.000 0.306 67 T C -1.599 173.102 174.700 0.001 0.000 1.313 67 T CA -0.631 61.554 62.100 0.141 0.000 1.012 67 T CB 1.608 70.680 68.868 0.340 0.000 1.298 67 T HN 0.796 nan 8.240 nan 0.000 0.502 68 N N 1.107 119.716 118.700 -0.152 0.000 2.265 68 N HA 0.715 5.455 4.740 -0.000 0.000 0.300 68 N C -0.904 174.661 175.510 0.092 0.000 1.148 68 N CA -0.489 52.484 53.050 -0.129 0.000 0.772 68 N CB 2.154 40.318 38.487 -0.539 0.000 1.434 68 N HN 0.873 nan 8.380 nan 0.000 0.481 69 T N -3.385 111.245 114.554 0.126 0.000 2.883 69 T HA 0.546 4.895 4.350 -0.000 0.000 0.296 69 T C -0.617 174.233 174.700 0.251 0.000 1.117 69 T CA -0.686 61.513 62.100 0.165 0.000 1.006 69 T CB 0.906 69.863 68.868 0.148 0.000 1.191 69 T HN 0.068 nan 8.240 nan 0.000 0.508 70 V N 3.297 123.357 119.914 0.243 0.000 2.530 70 V HA 0.257 4.377 4.120 -0.000 0.000 0.282 70 V C 0.931 177.105 176.094 0.133 0.000 1.048 70 V CA -0.237 62.216 62.300 0.254 0.000 0.997 70 V CB 0.693 32.632 31.823 0.194 0.000 0.987 70 V HN 1.048 nan 8.190 nan 0.000 0.477 71 N N 3.169 121.883 118.700 0.024 0.000 2.220 71 N HA 0.161 4.901 4.740 -0.000 0.000 0.195 71 N C 1.170 176.660 175.510 -0.035 0.000 1.123 71 N CA 0.558 53.576 53.050 -0.055 0.000 0.874 71 N CB 0.568 38.809 38.487 -0.410 0.000 0.995 71 N HN 0.886 nan 8.380 nan 0.000 0.498 72 G N 0.778 109.550 108.800 -0.048 0.000 2.179 72 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.257 72 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.257 72 G C 0.010 174.891 174.900 -0.031 0.000 1.010 72 G CA 0.381 45.471 45.100 -0.016 0.000 0.736 72 G HN 0.539 nan 8.290 nan 0.000 0.513 73 M N 0.817 120.330 119.600 -0.145 0.000 2.394 73 M HA 0.261 4.741 4.480 -0.000 0.000 0.394 73 M C 0.665 176.930 176.300 -0.057 0.000 1.611 73 M CA 0.402 55.628 55.300 -0.123 0.000 0.941 73 M CB 0.466 32.912 32.600 -0.256 0.000 2.094 73 M HN 0.262 nan 8.290 nan 0.000 0.485 74 V N 7.290 127.211 119.914 0.011 0.000 2.287 74 V HA 0.252 4.372 4.120 -0.000 0.000 0.246 74 V C 1.372 177.421 176.094 -0.075 0.000 1.165 74 V CA 0.498 62.799 62.300 0.003 0.000 1.088 74 V CB -0.734 31.129 31.823 0.067 0.000 1.242 74 V HN 1.067 nan 8.190 nan 0.000 0.497 75 G N 2.833 111.585 108.800 -0.080 0.000 3.088 75 G HA2 0.515 4.475 3.960 -0.000 0.000 0.217 75 G HA3 0.515 4.475 3.960 -0.000 0.000 0.217 75 G C 0.419 175.294 174.900 -0.042 0.000 1.159 75 G CA 0.698 45.730 45.100 -0.113 0.000 0.760 75 G HN 0.813 nan 8.290 nan 0.000 0.550 76 A N -0.707 122.131 122.820 0.031 0.000 2.515 76 A HA 0.822 5.142 4.320 -0.000 0.000 0.296 76 A C -0.760 176.948 177.584 0.208 0.000 1.094 76 A CA -0.442 51.698 52.037 0.172 0.000 0.718 76 A CB 1.597 20.668 19.000 0.118 0.000 1.307 76 A HN 0.022 nan 8.150 nan 0.000 0.408 77 T N 1.587 116.333 114.554 0.321 0.000 2.848 77 T HA 0.435 4.785 4.350 -0.000 0.000 0.285 77 T C -0.678 174.044 174.700 0.036 0.000 0.995 77 T CA -0.382 61.821 62.100 0.172 0.000 0.970 77 T CB 0.918 69.931 68.868 0.243 0.000 0.976 77 T HN 0.628 nan 8.240 nan 0.000 0.441 78 N N 1.913 120.571 118.700 -0.071 0.000 2.426 78 N HA 0.410 5.149 4.740 -0.000 0.000 0.257 78 N C -1.338 174.071 175.510 -0.168 0.000 1.002 78 N CA -0.495 52.526 53.050 -0.049 0.000 0.942 78 N CB 0.769 39.233 38.487 -0.038 0.000 1.112 78 N HN 0.513 nan 8.380 nan 0.000 0.499 79 Y N 0.810 121.112 120.300 0.003 0.000 2.330 79 Y HA 0.287 4.837 4.550 -0.000 0.000 0.336 79 Y C 0.744 176.578 175.900 -0.110 0.000 1.036 79 Y CA -0.858 57.207 58.100 -0.058 0.000 1.125 79 Y CB 0.947 39.342 38.460 -0.109 0.000 1.194 79 Y HN 0.281 nan 8.280 nan 0.000 0.469 80 R N 4.739 125.267 120.500 0.047 0.000 2.267 80 R HA 0.338 4.678 4.340 -0.000 0.000 0.319 80 R C -1.209 175.113 176.300 0.036 0.000 1.067 80 R CA -0.160 55.951 56.100 0.019 0.000 0.936 80 R CB 0.151 30.448 30.300 -0.005 0.000 1.006 80 R HN 0.786 nan 8.270 nan 0.000 0.452 81 L N 3.193 124.428 121.223 0.021 0.000 2.379 81 L HA 0.334 4.674 4.340 -0.000 0.000 0.269 81 L C 0.133 177.066 176.870 0.104 0.000 1.084 81 L CA -0.610 54.259 54.840 0.047 0.000 0.802 81 L CB 1.967 44.043 42.059 0.028 0.000 1.175 81 L HN 0.646 nan 8.230 nan 0.000 0.448 82 T N 3.230 117.875 114.554 0.153 0.000 2.801 82 T HA 0.384 4.733 4.350 -0.000 0.000 0.306 82 T C -0.221 174.577 174.700 0.163 0.000 1.020 82 T CA -0.573 61.610 62.100 0.137 0.000 0.948 82 T CB 0.676 69.618 68.868 0.123 0.000 0.962 82 T HN 0.074 nan 8.240 nan 0.000 0.465 83 L N 3.674 124.985 121.223 0.148 0.000 2.367 83 L HA 0.423 4.763 4.340 -0.000 0.000 0.275 83 L C 0.373 177.306 176.870 0.105 0.000 1.129 83 L CA 0.474 55.411 54.840 0.161 0.000 0.839 83 L CB 0.507 42.660 42.059 0.156 0.000 1.133 83 L HN 0.642 nan 8.230 nan 0.000 0.453 84 Q N 2.297 122.148 119.800 0.085 0.000 2.281 84 Q HA 0.230 4.569 4.340 -0.000 0.000 0.263 84 Q C -1.216 174.799 176.000 0.026 0.000 0.989 84 Q CA -0.568 55.262 55.803 0.044 0.000 0.852 84 Q CB 1.441 30.192 28.738 0.023 0.000 1.337 84 Q HN 0.641 nan 8.270 nan 0.000 0.418 85 D N 2.755 123.173 120.400 0.030 0.000 2.723 85 D HA -0.217 4.423 4.640 -0.000 0.000 0.236 85 D C 0.733 177.050 176.300 0.029 0.000 1.138 85 D CA 1.842 55.853 54.000 0.019 0.000 0.676 85 D CB -1.188 39.610 40.800 -0.004 0.000 1.069 85 D HN 1.098 nan 8.370 nan 0.000 0.430 86 G N -1.761 107.080 108.800 0.069 0.000 2.212 86 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.266 86 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.266 86 G C 0.781 175.766 174.900 0.142 0.000 0.978 86 G CA 0.912 46.081 45.100 0.113 0.000 0.632 86 G HN 0.948 nan 8.290 nan 0.000 0.537 87 G N -0.723 108.083 108.800 0.009 0.000 2.940 87 G HA2 0.818 4.778 3.960 -0.000 0.000 0.164 87 G HA3 0.818 4.778 3.960 -0.000 0.000 0.164 87 G C -0.509 174.276 174.900 -0.191 0.000 1.326 87 G CA -0.254 44.716 45.100 -0.217 0.000 1.020 87 G HN 1.373 nan 8.290 nan 0.000 0.586 88 Y N -1.956 118.089 120.300 -0.426 0.000 2.504 88 Y HA 0.704 5.254 4.550 -0.000 0.000 0.344 88 Y C -1.005 174.845 175.900 -0.082 0.000 1.023 88 Y CA -1.732 56.237 58.100 -0.217 0.000 1.020 88 Y CB 1.403 39.704 38.460 -0.265 0.000 1.282 88 Y HN 0.489 nan 8.280 nan 0.000 0.454 89 L N 4.444 125.720 121.223 0.087 0.000 2.367 89 L HA 0.456 4.796 4.340 -0.000 0.000 0.275 89 L C -1.478 175.515 176.870 0.205 0.000 1.129 89 L CA -0.100 54.776 54.840 0.061 0.000 0.839 89 L CB 0.155 42.259 42.059 0.076 0.000 1.133 89 L HN 0.769 nan 8.230 nan 0.000 0.453 90 Y N 4.241 124.513 120.300 -0.047 0.000 2.348 90 Y HA 0.233 4.783 4.550 -0.000 0.000 0.321 90 Y C -0.410 175.474 175.900 -0.026 0.000 1.163 90 Y CA -0.974 57.135 58.100 0.015 0.000 1.070 90 Y CB 0.848 39.320 38.460 0.019 0.000 1.250 90 Y HN 0.793 nan 8.280 nan 0.000 0.425 91 D N 4.615 124.814 120.400 -0.334 0.000 2.697 91 D HA -0.180 4.460 4.640 -0.000 0.000 0.235 91 D C 1.213 177.464 176.300 -0.082 0.000 1.167 91 D CA 2.314 56.178 54.000 -0.226 0.000 0.656 91 D CB -1.041 39.620 40.800 -0.232 0.000 1.025 91 D HN 1.369 nan 8.370 nan 0.000 0.419 92 G N -0.996 107.772 108.800 -0.053 0.000 2.168 92 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.263 92 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.263 92 G C 0.174 175.059 174.900 -0.025 0.000 0.977 92 G CA 0.658 45.740 45.100 -0.029 0.000 0.659 92 G HN 0.468 nan 8.290 nan 0.000 0.533 93 Q N -0.650 119.135 119.800 -0.026 0.000 2.413 93 Q HA 0.571 4.911 4.340 -0.000 0.000 0.276 93 Q C -0.078 175.869 176.000 -0.090 0.000 1.099 93 Q CA -0.790 54.985 55.803 -0.047 0.000 0.814 93 Q CB 2.517 31.228 28.738 -0.044 0.000 1.379 93 Q HN 0.200 nan 8.270 nan 0.000 0.436 94 V N 2.413 122.258 119.914 -0.115 0.000 2.439 94 V HA 0.223 4.343 4.120 -0.000 0.000 0.271 94 V C 0.465 176.390 176.094 -0.281 0.000 1.040 94 V CA 0.062 62.249 62.300 -0.189 0.000 1.002 94 V CB 0.365 32.110 31.823 -0.131 0.000 1.000 94 V HN 0.428 nan 8.190 nan 0.000 0.477 95 R N 6.687 126.871 120.500 -0.527 0.000 2.393 95 R HA 0.453 4.793 4.340 -0.000 0.000 0.310 95 R C -2.547 173.346 176.300 -0.678 0.000 0.968 95 R CA -1.872 53.857 56.100 -0.618 0.000 0.867 95 R CB 2.283 32.057 30.300 -0.876 0.000 1.124 95 R HN 0.454 nan 8.270 nan 0.000 0.450 96 P HA 0.098 nan 4.420 nan 0.000 0.277 96 P C -0.711 176.516 177.300 -0.120 0.000 1.240 96 P CA -0.117 62.851 63.100 -0.220 0.000 0.798 96 P CB 0.556 32.204 31.700 -0.086 0.000 0.979 97 F N 0.135 120.158 119.950 0.122 0.000 2.429 97 F HA 0.113 4.640 4.527 -0.000 0.000 0.348 97 F C 1.728 177.557 175.800 0.049 0.000 1.109 97 F CA -0.085 57.995 58.000 0.135 0.000 1.232 97 F CB 0.464 39.514 39.000 0.082 0.000 1.157 97 F HN 0.236 nan 8.300 nan 0.000 0.564 98 E N 3.821 124.167 120.200 0.243 0.000 2.344 98 E HA 0.103 4.453 4.350 -0.000 0.000 0.270 98 E C -0.514 176.140 176.600 0.091 0.000 1.021 98 E CA -0.213 56.258 56.400 0.119 0.000 0.887 98 E CB 0.707 30.448 29.700 0.068 0.000 0.997 98 E HN 0.629 nan 8.360 nan 0.000 0.429 99 R N 3.248 123.777 120.500 0.049 0.000 2.510 99 R HA 0.566 4.906 4.340 -0.000 0.000 0.287 99 R C -2.877 173.419 176.300 -0.008 0.000 1.084 99 R CA -1.628 54.474 56.100 0.003 0.000 0.934 99 R CB 1.675 31.975 30.300 -0.001 0.000 1.201 99 R HN 0.140 nan 8.270 nan 0.000 0.431 100 P HA 0.259 nan 4.420 nan 0.000 0.304 100 P C -1.196 176.088 177.300 -0.027 0.000 1.381 100 P CA -0.846 62.242 63.100 -0.020 0.000 0.995 100 P CB 1.880 33.570 31.700 -0.017 0.000 1.194 101 Q N 1.313 121.100 119.800 -0.022 0.000 2.369 101 Q HA 0.520 4.860 4.340 -0.000 0.000 0.247 101 Q C 0.299 176.289 176.000 -0.017 0.000 1.083 101 Q CA -0.029 55.760 55.803 -0.023 0.000 0.905 101 Q CB 0.362 29.086 28.738 -0.023 0.000 1.305 101 Q HN 0.542 nan 8.270 nan 0.000 0.465 102 A N 2.240 125.054 122.820 -0.010 0.000 2.274 102 A HA 0.837 5.157 4.320 -0.000 0.000 0.297 102 A C 0.036 177.624 177.584 0.007 0.000 1.191 102 A CA -0.123 51.919 52.037 0.008 0.000 0.889 102 A CB 0.883 19.899 19.000 0.026 0.000 1.294 102 A HN 0.755 nan 8.150 nan 0.000 0.506 103 S N -1.976 113.742 115.700 0.030 0.000 2.567 103 S HA 0.700 5.170 4.470 -0.000 0.000 0.270 103 S C -1.064 173.586 174.600 0.084 0.000 1.152 103 S CA -0.394 57.801 58.200 -0.008 0.000 0.835 103 S CB 0.872 64.033 63.200 -0.066 0.000 1.115 103 S HN 1.870 nan 8.310 nan 0.000 0.459 104 Y N -0.723 119.568 120.300 -0.015 0.000 2.615 104 Y HA 0.863 5.413 4.550 -0.000 0.000 0.341 104 Y C -0.825 175.068 175.900 -0.012 0.000 1.089 104 Y CA -1.371 56.722 58.100 -0.013 0.000 1.049 104 Y CB 0.915 39.368 38.460 -0.011 0.000 1.296 104 Y HN 0.802 nan 8.280 nan 0.000 0.470 105 R N 1.427 122.040 120.500 0.189 0.000 2.474 105 R HA 0.666 5.006 4.340 -0.000 0.000 0.295 105 R C -1.735 174.677 176.300 0.186 0.000 0.980 105 R CA -0.963 55.191 56.100 0.090 0.000 0.934 105 R CB 1.737 32.069 30.300 0.053 0.000 1.101 105 R HN 0.701 nan 8.270 nan 0.000 0.469 106 L N 2.015 123.299 121.223 0.101 0.000 2.376 106 L HA 0.406 4.745 4.340 -0.000 0.000 0.275 106 L C -0.475 176.427 176.870 0.053 0.000 0.987 106 L CA -0.463 54.447 54.840 0.115 0.000 0.828 106 L CB 1.487 43.616 42.059 0.118 0.000 1.249 106 L HN 0.506 nan 8.230 nan 0.000 0.409 107 R N 3.696 124.223 120.500 0.045 0.000 2.489 107 R HA 0.232 4.572 4.340 -0.000 0.000 0.287 107 R C -0.591 175.720 176.300 0.018 0.000 1.053 107 R CA -0.256 55.858 56.100 0.023 0.000 1.036 107 R CB 0.552 30.861 30.300 0.016 0.000 0.966 107 R HN 0.639 nan 8.270 nan 0.000 0.432 108 Q N 2.063 121.869 119.800 0.010 0.000 2.180 108 Q HA 0.212 4.552 4.340 -0.000 0.000 0.241 108 Q C 0.959 176.961 176.000 0.003 0.000 0.970 108 Q CA 0.044 55.851 55.803 0.006 0.000 0.919 108 Q CB 1.218 29.957 28.738 0.002 0.000 1.222 108 Q HN 0.772 nan 8.270 nan 0.000 0.482 109 A N 1.280 124.101 122.820 0.002 0.000 1.958 109 A HA -0.253 4.067 4.320 -0.000 0.000 0.221 109 A C 1.110 178.693 177.584 -0.002 0.000 1.178 109 A CA 2.474 54.510 52.037 -0.000 0.000 0.642 109 A CB -0.726 18.273 19.000 -0.001 0.000 0.816 109 A HN 0.845 nan 8.150 nan 0.000 0.453 110 D N -3.486 116.913 120.400 -0.002 0.000 2.325 110 D HA 0.376 5.016 4.640 -0.000 0.000 0.225 110 D C 1.061 177.360 176.300 -0.003 0.000 1.096 110 D CA 0.810 54.808 54.000 -0.003 0.000 0.844 110 D CB -0.048 40.750 40.800 -0.003 0.000 0.925 110 D HN 0.654 nan 8.370 nan 0.000 0.513 111 G N 0.073 108.872 108.800 -0.002 0.000 2.217 111 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.246 111 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.246 111 G C 0.654 175.554 174.900 -0.001 0.000 0.990 111 G CA 0.477 45.576 45.100 -0.002 0.000 0.627 111 G HN 0.726 nan 8.290 nan 0.000 0.522 112 T N -0.829 113.724 114.554 -0.001 0.000 2.788 112 T HA 0.657 5.007 4.350 -0.000 0.000 0.280 112 T C 0.342 175.042 174.700 0.001 0.000 0.984 112 T CA 0.709 62.808 62.100 -0.002 0.000 0.972 112 T CB 1.792 70.657 68.868 -0.004 0.000 1.039 112 T HN 1.430 nan 8.240 nan 0.000 0.530 113 T N -1.361 113.193 114.554 -0.000 0.000 2.861 113 T HA 0.637 4.986 4.350 -0.000 0.000 0.287 113 T C -0.229 174.466 174.700 -0.009 0.000 1.003 113 T CA -0.788 61.313 62.100 0.001 0.000 0.977 113 T CB 1.123 69.996 68.868 0.008 0.000 0.996 113 T HN 1.111 nan 8.240 nan 0.000 0.448 114 V N -0.227 119.677 119.914 -0.017 0.000 2.630 114 V HA 0.625 4.745 4.120 -0.000 0.000 0.305 114 V C -0.484 175.573 176.094 -0.062 0.000 1.046 114 V CA -1.067 61.212 62.300 -0.036 0.000 0.934 114 V CB 1.473 33.273 31.823 -0.039 0.000 1.003 114 V HN 0.906 nan 8.190 nan 0.000 0.451 115 D N 2.538 122.892 120.400 -0.076 0.000 2.350 115 D HA 0.341 4.981 4.640 -0.000 0.000 0.249 115 D C -0.346 175.842 176.300 -0.186 0.000 1.119 115 D CA 0.208 54.136 54.000 -0.120 0.000 0.886 115 D CB 1.513 42.261 40.800 -0.088 0.000 1.195 115 D HN 0.568 nan 8.370 nan 0.000 0.437 116 K N 2.746 122.942 120.400 -0.339 0.000 2.376 116 K HA 0.329 4.649 4.320 -0.000 0.000 0.257 116 K C -2.457 173.898 176.600 -0.408 0.000 0.939 116 K CA -1.755 54.278 56.287 -0.424 0.000 0.809 116 K CB 2.398 34.503 32.500 -0.658 0.000 1.121 116 K HN 0.190 nan 8.250 nan 0.000 0.425 117 P HA 0.025 nan 4.420 nan 0.000 0.269 117 P C -1.045 176.180 177.300 -0.124 0.000 1.209 117 P CA -0.466 62.546 63.100 -0.147 0.000 0.776 117 P CB 0.655 32.300 31.700 -0.092 0.000 0.876 118 L N 1.521 122.717 121.223 -0.045 0.000 2.504 118 L HA 0.362 4.702 4.340 -0.000 0.000 0.265 118 L C -0.297 176.568 176.870 -0.007 0.000 0.975 118 L CA -0.588 54.271 54.840 0.031 0.000 0.864 118 L CB 1.348 43.514 42.059 0.177 0.000 1.212 118 L HN 0.310 nan 8.230 nan 0.000 0.416 119 E N 4.500 124.677 120.200 -0.038 0.000 2.316 119 E HA 0.367 4.717 4.350 -0.000 0.000 0.275 119 E C -0.924 175.612 176.600 -0.107 0.000 1.029 119 E CA -0.250 56.109 56.400 -0.069 0.000 0.871 119 E CB 0.771 30.422 29.700 -0.082 0.000 1.022 119 E HN 0.643 nan 8.360 nan 0.000 0.418 120 I N 5.338 125.842 120.570 -0.110 0.000 2.328 120 I HA 0.302 4.472 4.170 -0.000 0.000 0.287 120 I C 0.206 176.219 176.117 -0.173 0.000 1.012 120 I CA -0.395 60.810 61.300 -0.158 0.000 1.195 120 I CB 1.107 39.043 38.000 -0.107 0.000 1.350 120 I HN 0.345 nan 8.210 nan 0.000 0.464 121 R N 3.843 124.183 120.500 -0.267 0.000 2.540 121 R HA 0.707 5.047 4.340 -0.000 0.000 0.287 121 R C -0.800 175.361 176.300 -0.232 0.000 0.980 121 R CA -0.540 55.386 56.100 -0.290 0.000 0.966 121 R CB 2.041 31.990 30.300 -0.585 0.000 1.106 121 R HN 0.502 nan 8.270 nan 0.000 0.480 122 S N 0.470 116.132 115.700 -0.063 0.000 2.547 122 S HA 0.323 4.793 4.470 -0.000 0.000 0.281 122 S C -0.627 174.074 174.600 0.169 0.000 1.118 122 S CA -0.840 57.362 58.200 0.003 0.000 0.947 122 S CB 1.946 65.143 63.200 -0.005 0.000 1.053 122 S HN 0.706 nan 8.310 nan 0.000 0.482 123 S N 0.900 116.643 115.700 0.072 0.000 2.719 123 S HA 0.455 4.925 4.470 -0.000 0.000 0.285 123 S C 1.708 176.292 174.600 -0.027 0.000 1.137 123 S CA -0.269 57.908 58.200 -0.038 0.000 1.012 123 S CB 0.136 63.036 63.200 -0.500 0.000 1.134 123 S HN 0.835 nan 8.310 nan 0.000 0.544 124 V N -0.772 119.085 119.914 -0.095 0.000 2.453 124 V HA -0.233 3.887 4.120 -0.000 0.000 0.252 124 V C 2.089 178.013 176.094 -0.284 0.000 1.068 124 V CA 2.246 64.403 62.300 -0.238 0.000 1.070 124 V CB -2.087 29.467 31.823 -0.448 0.000 0.664 124 V HN 0.901 nan 8.190 nan 0.000 0.461 125 H N 1.908 120.782 119.070 -0.326 0.000 2.290 125 H HA 0.437 4.993 4.556 -0.000 0.000 0.298 125 H C 1.333 176.557 175.328 -0.173 0.000 1.087 125 H CA 1.406 57.245 56.048 -0.348 0.000 1.291 125 H CB -0.651 28.857 29.762 -0.422 0.000 1.369 125 H HN 0.817 nan 8.280 nan 0.000 0.492 126 G N -1.845 106.979 108.800 0.040 0.000 2.345 126 G HA2 0.181 4.141 3.960 -0.000 0.000 0.285 126 G HA3 0.181 4.141 3.960 -0.000 0.000 0.285 126 G C -2.863 172.050 174.900 0.022 0.000 1.297 126 G CA -1.008 44.115 45.100 0.038 0.000 0.875 126 G HN -0.042 nan 8.290 nan 0.000 0.506 127 P HA 0.416 nan 4.420 nan 0.000 0.268 127 P C -0.306 176.918 177.300 -0.127 0.000 1.208 127 P CA -0.204 62.848 63.100 -0.080 0.000 0.777 127 P CB 1.014 32.684 31.700 -0.051 0.000 0.875 128 V N 3.049 122.745 119.914 -0.364 0.000 2.555 128 V HA 0.472 4.592 4.120 -0.000 0.000 0.302 128 V C -0.281 175.451 176.094 -0.604 0.000 1.038 128 V CA -0.231 61.870 62.300 -0.331 0.000 0.887 128 V CB 0.798 32.395 31.823 -0.377 0.000 0.991 128 V HN 0.337 nan 8.190 nan 0.000 0.434 129 F N 1.396 121.290 119.950 -0.093 0.000 2.546 129 F HA 0.521 5.048 4.527 -0.000 0.000 0.320 129 F C 0.265 176.023 175.800 -0.069 0.000 1.076 129 F CA -0.785 57.171 58.000 -0.074 0.000 0.928 129 F CB 1.821 40.792 39.000 -0.049 0.000 1.189 129 F HN 0.417 nan 8.300 nan 0.000 0.465 130 E N 2.935 123.197 120.200 0.104 0.000 2.109 130 E HA 0.311 4.661 4.350 -0.000 0.000 0.278 130 E C -0.367 176.276 176.600 0.072 0.000 0.954 130 E CA -0.624 55.809 56.400 0.055 0.000 0.779 130 E CB 0.798 30.504 29.700 0.010 0.000 1.093 130 E HN 0.537 nan 8.360 nan 0.000 0.401 131 R N 1.917 122.448 120.500 0.051 0.000 2.774 131 R HA 0.128 4.467 4.340 -0.000 0.000 0.269 131 R C 1.102 177.415 176.300 0.021 0.000 1.068 131 R CA 0.368 56.486 56.100 0.029 0.000 1.180 131 R CB 0.548 30.857 30.300 0.014 0.000 1.077 131 R HN 0.653 nan 8.270 nan 0.000 0.513 132 A N 1.709 124.536 122.820 0.013 0.000 1.940 132 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 132 A C 1.395 178.984 177.584 0.008 0.000 1.176 132 A CA 2.074 54.116 52.037 0.010 0.000 0.631 132 A CB -0.554 18.449 19.000 0.005 0.000 0.814 132 A HN 0.873 nan 8.150 nan 0.000 0.446 133 D N -1.882 118.522 120.400 0.006 0.000 2.371 133 D HA 0.258 4.898 4.640 -0.000 0.000 0.234 133 D C 1.120 177.426 176.300 0.010 0.000 1.049 133 D CA 0.995 54.998 54.000 0.006 0.000 0.907 133 D CB -0.722 40.079 40.800 0.003 0.000 0.891 133 D HN 0.860 nan 8.370 nan 0.000 0.531 134 G N -0.904 107.904 108.800 0.013 0.000 2.157 134 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.248 134 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.248 134 G C 0.311 175.223 174.900 0.020 0.000 0.979 134 G CA 0.269 45.378 45.100 0.016 0.000 0.650 134 G HN 0.463 nan 8.290 nan 0.000 0.529 135 T N 1.442 116.007 114.554 0.019 0.000 2.851 135 T HA 0.590 4.940 4.350 -0.000 0.000 0.298 135 T C 0.593 175.310 174.700 0.027 0.000 0.977 135 T CA 0.618 62.731 62.100 0.022 0.000 1.126 135 T CB 1.600 70.476 68.868 0.013 0.000 0.916 135 T HN 1.305 nan 8.240 nan 0.000 0.529 136 A N 3.605 126.444 122.820 0.031 0.000 2.276 136 A HA 0.630 4.950 4.320 -0.000 0.000 0.300 136 A C -0.344 177.256 177.584 0.025 0.000 1.235 136 A CA -0.552 51.501 52.037 0.026 0.000 0.867 136 A CB 0.371 19.396 19.000 0.041 0.000 1.137 136 A HN 0.685 nan 8.150 nan 0.000 0.527 137 V N 2.136 122.074 119.914 0.041 0.000 2.577 137 V HA 0.650 4.769 4.120 -0.000 0.000 0.303 137 V C 0.294 176.445 176.094 0.095 0.000 1.042 137 V CA -0.390 61.945 62.300 0.058 0.000 0.872 137 V CB 1.550 33.414 31.823 0.069 0.000 0.998 137 V HN 1.166 nan 8.190 nan 0.000 0.423 138 A N 4.114 126.963 122.820 0.049 0.000 2.292 138 A HA 0.809 5.129 4.320 -0.000 0.000 0.319 138 A C -0.620 177.091 177.584 0.211 0.000 1.206 138 A CA -0.562 51.517 52.037 0.071 0.000 0.835 138 A CB 1.598 20.518 19.000 -0.133 0.000 1.164 138 A HN 0.954 nan 8.150 nan 0.000 0.505 139 V N 3.639 123.699 119.914 0.244 0.000 2.398 139 V HA 0.661 4.781 4.120 -0.000 0.000 0.286 139 V C -0.034 176.207 176.094 0.246 0.000 1.026 139 V CA -0.710 61.734 62.300 0.240 0.000 0.868 139 V CB 1.278 33.212 31.823 0.185 0.000 0.982 139 V HN 0.916 nan 8.190 nan 0.000 0.443 140 R N 5.343 126.025 120.500 0.303 0.000 2.371 140 R HA 0.669 5.009 4.340 -0.000 0.000 0.312 140 R C -1.789 174.731 176.300 0.367 0.000 0.980 140 R CA -0.432 55.828 56.100 0.267 0.000 0.867 140 R CB 1.697 32.145 30.300 0.247 0.000 1.163 140 R HN 0.618 nan 8.270 nan 0.000 0.492 141 V N 3.663 123.747 119.914 0.282 0.000 2.435 141 V HA 0.590 4.710 4.120 -0.000 0.000 0.290 141 V C 0.336 176.631 176.094 0.335 0.000 1.030 141 V CA -0.770 61.691 62.300 0.270 0.000 0.881 141 V CB 1.491 33.402 31.823 0.146 0.000 0.983 141 V HN 0.910 nan 8.190 nan 0.000 0.445 142 A N 3.072 126.083 122.820 0.318 0.000 2.279 142 A HA 0.696 5.016 4.320 -0.000 0.000 0.303 142 A C 1.224 178.881 177.584 0.122 0.000 1.108 142 A CA 0.215 52.412 52.037 0.268 0.000 0.830 142 A CB 0.445 19.450 19.000 0.009 0.000 1.106 142 A HN 2.173 nan 8.150 nan 0.000 0.493 143 G N -0.044 108.821 108.800 0.108 0.000 2.198 143 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.260 143 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.260 143 G C 0.553 175.484 174.900 0.052 0.000 1.025 143 G CA 0.506 45.641 45.100 0.057 0.000 0.769 143 G HN 0.778 nan 8.290 nan 0.000 0.507 144 L N 0.311 121.576 121.223 0.070 0.000 2.265 144 L HA 0.026 4.366 4.340 -0.000 0.000 0.215 144 L C 2.095 178.987 176.870 0.037 0.000 1.117 144 L CA 1.508 56.378 54.840 0.051 0.000 0.782 144 L CB -0.228 41.866 42.059 0.058 0.000 0.914 144 L HN 0.491 nan 8.230 nan 0.000 0.441 145 D N -0.578 119.846 120.400 0.040 0.000 2.434 145 D HA -0.034 4.606 4.640 -0.000 0.000 0.232 145 D C 0.368 176.682 176.300 0.024 0.000 1.166 145 D CA -0.090 53.927 54.000 0.030 0.000 0.830 145 D CB 0.095 40.915 40.800 0.033 0.000 0.960 145 D HN 0.054 nan 8.370 nan 0.000 0.497 146 R N 1.655 122.168 120.500 0.022 0.000 2.505 146 R HA 0.246 4.585 4.340 -0.000 0.000 0.284 146 R C -1.846 174.463 176.300 0.016 0.000 1.324 146 R CA -1.451 54.659 56.100 0.017 0.000 1.432 146 R CB 0.830 31.139 30.300 0.015 0.000 1.107 146 R HN 0.122 nan 8.270 nan 0.000 0.587 147 P HA 0.003 nan 4.420 nan 0.000 0.233 147 P C 0.808 178.117 177.300 0.016 0.000 1.167 147 P CA 0.568 63.676 63.100 0.013 0.000 0.770 147 P CB 0.434 32.140 31.700 0.010 0.000 0.837 148 G N -0.020 108.792 108.800 0.019 0.000 3.383 148 G HA2 0.011 3.971 3.960 -0.000 0.000 0.251 148 G HA3 0.011 3.971 3.960 -0.000 0.000 0.251 148 G C 1.117 176.042 174.900 0.042 0.000 1.203 148 G CA -0.195 44.920 45.100 0.025 0.000 0.852 148 G HN 0.067 nan 8.290 nan 0.000 0.531 149 M N 0.167 119.796 119.600 0.047 0.000 2.065 149 M HA -0.017 4.462 4.480 -0.000 0.000 0.259 149 M C 2.248 178.618 176.300 0.116 0.000 1.069 149 M CA 1.557 56.905 55.300 0.078 0.000 1.110 149 M CB -0.467 32.174 32.600 0.068 0.000 1.328 149 M HN 0.295 nan 8.290 nan 0.000 0.405 150 L N -0.361 120.912 121.223 0.082 0.000 2.093 150 L HA -0.196 4.143 4.340 -0.000 0.000 0.208 150 L C 2.485 179.436 176.870 0.135 0.000 1.085 150 L CA 1.451 56.346 54.840 0.091 0.000 0.755 150 L CB -0.724 41.348 42.059 0.023 0.000 0.904 150 L HN 0.433 nan 8.230 nan 0.000 0.435 151 E N -0.073 120.188 120.200 0.101 0.000 2.107 151 E HA -0.267 4.083 4.350 -0.000 0.000 0.191 151 E C 2.198 178.891 176.600 0.154 0.000 0.982 151 E CA 0.880 57.362 56.400 0.136 0.000 0.809 151 E CB 0.081 29.830 29.700 0.080 0.000 0.756 151 E HN 0.437 nan 8.360 nan 0.000 0.459 152 Q N -0.455 119.404 119.800 0.098 0.000 2.061 152 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 152 Q C 1.894 177.916 176.000 0.038 0.000 0.984 152 Q CA 1.742 57.566 55.803 0.035 0.000 0.846 152 Q CB -0.244 28.498 28.738 0.007 0.000 0.902 152 Q HN 0.415 nan 8.270 nan 0.000 0.421 153 Y N -0.406 119.920 120.300 0.044 0.000 2.224 153 Y HA -0.251 4.299 4.550 -0.000 0.000 0.289 153 Y C 1.948 177.898 175.900 0.082 0.000 1.146 153 Y CA 1.627 59.760 58.100 0.054 0.000 1.182 153 Y CB -0.183 38.315 38.460 0.063 0.000 0.983 153 Y HN 0.293 nan 8.280 nan 0.000 0.524 154 F N 1.026 121.048 119.950 0.120 0.000 2.134 154 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 154 F C 1.943 177.708 175.800 -0.059 0.000 1.097 154 F CA 2.019 60.020 58.000 0.002 0.000 1.264 154 F CB -0.491 38.472 39.000 -0.061 0.000 1.001 154 F HN 0.027 nan 8.300 nan 0.000 0.479 155 D N 0.067 120.385 120.400 -0.138 0.000 2.149 155 D HA -0.157 4.483 4.640 -0.000 0.000 0.201 155 D C 2.381 178.570 176.300 -0.185 0.000 0.972 155 D CA 1.366 55.224 54.000 -0.236 0.000 0.835 155 D CB -0.381 40.360 40.800 -0.099 0.000 0.966 155 D HN 0.345 nan 8.370 nan 0.000 0.476 156 M N 0.602 120.109 119.600 -0.155 0.000 2.073 156 M HA -0.146 4.333 4.480 -0.000 0.000 0.258 156 M C 2.295 178.644 176.300 0.081 0.000 1.070 156 M CA 1.420 56.675 55.300 -0.075 0.000 1.103 156 M CB -0.384 32.056 32.600 -0.266 0.000 1.321 156 M HN 0.082 nan 8.290 nan 0.000 0.405 157 I N -2.310 118.250 120.570 -0.017 0.000 3.291 157 I HA -0.028 4.142 4.170 -0.000 0.000 0.279 157 I C 1.341 177.429 176.117 -0.048 0.000 1.294 157 I CA 1.233 62.555 61.300 0.037 0.000 1.428 157 I CB -0.619 37.447 38.000 0.110 0.000 1.070 157 I HN 0.263 nan 8.210 nan 0.000 0.478 158 T N -1.272 113.153 114.554 -0.214 0.000 3.085 158 T HA 0.553 4.903 4.350 -0.000 0.000 0.264 158 T C 0.873 175.506 174.700 -0.112 0.000 1.019 158 T CA 0.041 61.998 62.100 -0.239 0.000 0.910 158 T CB -0.167 68.332 68.868 -0.616 0.000 1.059 158 T HN 0.343 nan 8.240 nan 0.000 0.542 159 A N 1.668 124.473 122.820 -0.026 0.000 2.565 159 A HA 0.219 4.539 4.320 -0.000 0.000 0.237 159 A C 1.015 178.639 177.584 0.066 0.000 1.053 159 A CA -0.113 51.949 52.037 0.042 0.000 0.755 159 A CB 0.033 19.130 19.000 0.162 0.000 0.980 159 A HN 0.332 nan 8.150 nan 0.000 0.506 160 D N 0.125 120.557 120.400 0.052 0.000 2.340 160 D HA 0.112 4.752 4.640 -0.000 0.000 0.220 160 D C 0.549 176.899 176.300 0.082 0.000 1.039 160 D CA 1.465 55.502 54.000 0.062 0.000 0.866 160 D CB 0.069 40.896 40.800 0.046 0.000 0.913 160 D HN 0.696 nan 8.370 nan 0.000 0.523 161 S N -1.552 114.214 115.700 0.110 0.000 2.595 161 S HA 0.157 4.627 4.470 -0.000 0.000 0.270 161 S C 0.217 174.938 174.600 0.202 0.000 1.145 161 S CA -0.845 57.440 58.200 0.140 0.000 0.825 161 S CB 0.356 63.611 63.200 0.092 0.000 1.107 161 S HN -0.142 nan 8.310 nan 0.000 0.461 162 F N 1.917 121.900 119.950 0.057 0.000 2.134 162 F HA 0.016 4.542 4.527 -0.000 0.000 0.299 162 F C 1.705 177.493 175.800 -0.020 0.000 1.097 162 F CA 2.201 60.168 58.000 -0.056 0.000 1.264 162 F CB -0.601 38.330 39.000 -0.117 0.000 1.001 162 F HN 0.713 nan 8.300 nan 0.000 0.479 163 D N 0.463 120.782 120.400 -0.135 0.000 2.104 163 D HA -0.196 4.444 4.640 -0.000 0.000 0.194 163 D C 1.902 178.093 176.300 -0.182 0.000 0.994 163 D CA 1.705 55.572 54.000 -0.222 0.000 0.830 163 D CB -0.558 40.194 40.800 -0.081 0.000 0.959 163 D HN 0.333 nan 8.370 nan 0.000 0.452 164 D N -0.424 119.930 120.400 -0.077 0.000 2.117 164 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 164 D C 1.955 178.201 176.300 -0.091 0.000 0.987 164 D CA 0.600 54.562 54.000 -0.063 0.000 0.829 164 D CB -0.507 40.286 40.800 -0.012 0.000 0.961 164 D HN 0.338 nan 8.370 nan 0.000 0.460 165 Y N 1.955 122.141 120.300 -0.191 0.000 2.128 165 Y HA -0.203 4.346 4.550 -0.000 0.000 0.284 165 Y C 2.134 177.840 175.900 -0.323 0.000 1.154 165 Y CA 1.792 59.761 58.100 -0.218 0.000 1.149 165 Y CB -0.050 38.306 38.460 -0.174 0.000 0.976 165 Y HN -0.061 nan 8.280 nan 0.000 0.505 166 E N 0.176 120.112 120.200 -0.441 0.000 2.085 166 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 166 E C 2.382 178.764 176.600 -0.363 0.000 0.994 166 E CA 1.000 57.103 56.400 -0.495 0.000 0.801 166 E CB -0.377 28.983 29.700 -0.566 0.000 0.743 166 E HN 0.624 nan 8.360 nan 0.000 0.453 167 A N 1.610 124.263 122.820 -0.279 0.000 1.902 167 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 167 A C 2.407 179.870 177.584 -0.201 0.000 1.181 167 A CA 1.841 53.762 52.037 -0.194 0.000 0.623 167 A CB -0.569 18.348 19.000 -0.138 0.000 0.818 167 A HN 0.296 nan 8.150 nan 0.000 0.443 168 A N -0.637 122.034 122.820 -0.248 0.000 1.873 168 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 168 A C 2.111 179.526 177.584 -0.282 0.000 1.186 168 A CA 1.684 53.578 52.037 -0.237 0.000 0.616 168 A CB -0.657 18.193 19.000 -0.249 0.000 0.823 168 A HN 0.635 nan 8.150 nan 0.000 0.442 169 L N -0.004 120.956 121.223 -0.438 0.000 2.079 169 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 169 L C 2.588 179.317 176.870 -0.236 0.000 1.081 169 L CA 2.130 56.725 54.840 -0.408 0.000 0.752 169 L CB -0.746 40.967 42.059 -0.577 0.000 0.896 169 L HN 0.353 nan 8.230 nan 0.000 0.433 170 A N -0.819 121.876 122.820 -0.208 0.000 2.178 170 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 170 A C 2.245 179.775 177.584 -0.091 0.000 1.157 170 A CA 1.170 53.129 52.037 -0.129 0.000 0.689 170 A CB -0.641 18.287 19.000 -0.119 0.000 0.787 170 A HN 0.539 nan 8.150 nan 0.000 0.465 171 R N -1.438 119.005 120.500 -0.096 0.000 2.285 171 R HA 0.007 4.347 4.340 -0.000 0.000 0.213 171 R C -0.006 176.267 176.300 -0.045 0.000 1.068 171 R CA 0.558 56.621 56.100 -0.062 0.000 1.004 171 R CB -0.247 30.018 30.300 -0.058 0.000 0.873 171 R HN 0.382 nan 8.270 nan 0.000 0.467 172 M N 0.705 120.273 119.600 -0.054 0.000 2.249 172 M HA -0.223 4.256 4.480 -0.000 0.000 0.198 172 M C -0.032 176.256 176.300 -0.020 0.000 0.394 172 M CA 0.950 56.229 55.300 -0.035 0.000 0.427 172 M CB -1.808 30.779 32.600 -0.021 0.000 1.307 172 M HN 0.229 nan 8.290 nan 0.000 0.924 173 Q N -1.041 118.750 119.800 -0.016 0.000 2.352 173 Q HA 0.302 4.642 4.340 -0.000 0.000 0.212 173 Q C 0.628 176.645 176.000 0.028 0.000 0.888 173 Q CA 0.352 56.159 55.803 0.006 0.000 0.934 173 Q CB 1.077 29.823 28.738 0.012 0.000 1.093 173 Q HN 0.521 nan 8.270 nan 0.000 0.523 174 V N 5.007 124.942 119.914 0.035 0.000 2.348 174 V HA 0.125 4.245 4.120 -0.000 0.000 0.270 174 V C -1.555 174.540 176.094 0.003 0.000 1.037 174 V CA -0.993 61.354 62.300 0.079 0.000 0.872 174 V CB 1.399 33.326 31.823 0.173 0.000 1.002 174 V HN 0.057 nan 8.190 nan 0.000 0.464 175 P HA 0.097 nan 4.420 nan 0.000 0.249 175 P C 0.448 177.624 177.300 -0.206 0.000 1.229 175 P CA 0.648 63.684 63.100 -0.105 0.000 0.788 175 P CB 0.765 32.410 31.700 -0.091 0.000 1.072 176 T N -1.519 112.854 114.554 -0.303 0.000 2.653 176 T HA 0.558 4.908 4.350 -0.000 0.000 0.306 176 T C -1.878 172.564 174.700 -0.429 0.000 1.426 176 T CA -0.375 61.435 62.100 -0.484 0.000 1.008 176 T CB 0.154 68.617 68.868 -0.675 0.000 1.692 176 T HN -0.088 nan 8.240 nan 0.000 0.483 177 F N 0.105 119.957 119.950 -0.163 0.000 2.183 177 F HA -0.084 4.443 4.527 -0.000 0.000 0.320 177 F C 0.050 175.729 175.800 -0.202 0.000 1.297 177 F CA -0.943 56.983 58.000 -0.125 0.000 0.918 177 F CB -0.261 38.723 39.000 -0.026 0.000 4.128 177 F HN 0.529 nan 8.300 nan 0.000 0.147 178 N N 3.221 121.969 118.700 0.080 0.000 2.520 178 N HA 0.616 5.356 4.740 -0.000 0.000 0.273 178 N C -0.593 174.973 175.510 0.093 0.000 1.155 178 N CA 0.017 53.091 53.050 0.039 0.000 0.967 178 N CB 1.082 39.714 38.487 0.241 0.000 1.092 178 N HN 0.448 nan 8.380 nan 0.000 0.457 179 I N 1.760 122.339 120.570 0.015 0.000 2.447 179 I HA 0.276 4.446 4.170 -0.000 0.000 0.287 179 I C -0.443 175.765 176.117 0.151 0.000 1.023 179 I CA -0.853 60.505 61.300 0.098 0.000 1.083 179 I CB 1.933 39.998 38.000 0.109 0.000 1.245 179 I HN -0.038 nan 8.210 nan 0.000 0.434 180 V N 6.468 126.516 119.914 0.223 0.000 2.581 180 V HA 0.455 4.575 4.120 -0.000 0.000 0.303 180 V C -1.102 175.139 176.094 0.246 0.000 1.041 180 V CA -0.682 61.786 62.300 0.279 0.000 0.907 180 V CB 2.164 34.181 31.823 0.324 0.000 0.994 180 V HN 0.595 nan 8.190 nan 0.000 0.442 181 Y N 2.889 123.216 120.300 0.044 0.000 2.553 181 Y HA 0.836 5.386 4.550 -0.000 0.000 0.347 181 Y C -0.397 175.425 175.900 -0.129 0.000 1.019 181 Y CA -0.373 57.657 58.100 -0.116 0.000 1.032 181 Y CB 1.988 40.245 38.460 -0.339 0.000 1.284 181 Y HN 0.833 nan 8.280 nan 0.000 0.466 182 A N 3.604 125.943 122.820 -0.802 0.000 2.612 182 A HA 0.672 4.992 4.320 -0.000 0.000 0.293 182 A C -2.054 174.753 177.584 -1.296 0.000 1.075 182 A CA -0.321 51.283 52.037 -0.721 0.000 0.680 182 A CB 1.629 20.466 19.000 -0.272 0.000 1.279 182 A HN 0.846 nan 8.150 nan 0.000 0.411 183 D N -1.271 118.563 120.400 -0.943 0.000 2.626 183 D HA 0.365 5.004 4.640 -0.000 0.000 0.278 183 D C 0.567 176.561 176.300 -0.511 0.000 1.211 183 D CA -0.484 52.960 54.000 -0.928 0.000 0.903 183 D CB 0.638 41.152 40.800 -0.477 0.000 1.408 183 D HN 0.541 nan 8.370 nan 0.000 0.454 184 R N -0.375 119.955 120.500 -0.283 0.000 2.280 184 R HA 0.063 4.403 4.340 -0.000 0.000 0.207 184 R C 0.318 176.606 176.300 -0.019 0.000 1.043 184 R CA 0.880 56.971 56.100 -0.015 0.000 1.006 184 R CB -0.297 30.056 30.300 0.087 0.000 0.885 184 R HN 0.317 nan 8.270 nan 0.000 0.467 185 E N 0.470 120.642 120.200 -0.046 0.000 2.371 185 E HA 0.081 4.430 4.350 -0.000 0.000 0.194 185 E C 0.982 177.562 176.600 -0.033 0.000 1.012 185 E CA 1.054 57.444 56.400 -0.018 0.000 0.860 185 E CB 0.490 30.194 29.700 0.007 0.000 0.811 185 E HN 0.638 nan 8.360 nan 0.000 0.502 186 G N -0.086 108.674 108.800 -0.067 0.000 2.175 186 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.182 186 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.182 186 G C 0.336 175.180 174.900 -0.094 0.000 1.003 186 G CA 0.008 45.068 45.100 -0.066 0.000 0.666 186 G HN 0.201 nan 8.290 nan 0.000 0.506 187 T N 1.578 116.055 114.554 -0.128 0.000 2.856 187 T HA 0.618 4.968 4.350 -0.000 0.000 0.292 187 T C 0.536 175.139 174.700 -0.163 0.000 0.980 187 T CA 0.491 62.467 62.100 -0.208 0.000 1.091 187 T CB 1.195 69.838 68.868 -0.374 0.000 0.936 187 T HN 0.958 nan 8.240 nan 0.000 0.503 188 I N 1.134 121.610 120.570 -0.157 0.000 2.689 188 I HA 0.735 4.905 4.170 -0.000 0.000 0.299 188 I C -0.751 175.333 176.117 -0.056 0.000 1.059 188 I CA -0.867 60.409 61.300 -0.040 0.000 1.055 188 I CB 2.292 40.298 38.000 0.010 0.000 1.243 188 I HN 0.458 nan 8.210 nan 0.000 0.425 189 N N 3.522 122.273 118.700 0.085 0.000 2.331 189 N HA 0.344 5.084 4.740 -0.000 0.000 0.280 189 N C -2.320 173.350 175.510 0.268 0.000 1.155 189 N CA -0.360 52.770 53.050 0.134 0.000 0.822 189 N CB 2.990 41.542 38.487 0.108 0.000 1.619 189 N HN 0.804 nan 8.380 nan 0.000 0.476 190 Y N 1.449 121.850 120.300 0.168 0.000 2.409 190 Y HA 0.590 5.140 4.550 -0.000 0.000 0.343 190 Y C -1.383 174.639 175.900 0.204 0.000 0.973 190 Y CA -0.254 57.960 58.100 0.190 0.000 1.064 190 Y CB 1.582 40.145 38.460 0.171 0.000 1.207 190 Y HN 0.384 nan 8.280 nan 0.000 0.452 191 S N 6.447 121.772 115.700 -0.625 0.000 2.557 191 S HA 0.327 4.797 4.470 -0.000 0.000 0.291 191 S C -1.467 172.711 174.600 -0.704 0.000 1.116 191 S CA -0.662 57.227 58.200 -0.518 0.000 0.992 191 S CB 0.985 64.105 63.200 -0.133 0.000 1.028 191 S HN 0.659 nan 8.310 nan 0.000 0.484 192 F N 4.176 123.755 119.950 -0.618 0.000 2.515 192 F HA 0.376 4.903 4.527 -0.000 0.000 0.353 192 F C 0.258 175.935 175.800 -0.205 0.000 1.213 192 F CA -0.449 57.349 58.000 -0.337 0.000 1.194 192 F CB -0.323 38.539 39.000 -0.230 0.000 1.488 192 F HN 0.613 nan 8.300 nan 0.000 0.619 193 N N 3.409 121.926 118.700 -0.306 0.000 2.508 193 N HA 0.783 5.523 4.740 -0.000 0.000 0.285 193 N C -0.112 175.244 175.510 -0.256 0.000 1.144 193 N CA 0.489 53.423 53.050 -0.193 0.000 0.978 193 N CB 1.456 39.883 38.487 -0.100 0.000 1.180 193 N HN 0.820 nan 8.380 nan 0.000 0.484 194 G N -0.441 108.270 108.800 -0.149 0.000 2.356 194 G HA2 0.141 4.101 3.960 -0.000 0.000 0.288 194 G HA3 0.141 4.101 3.960 -0.000 0.000 0.288 194 G C -1.916 172.936 174.900 -0.081 0.000 1.302 194 G CA -0.655 44.357 45.100 -0.148 0.000 0.887 194 G HN 0.515 nan 8.290 nan 0.000 0.521 195 V N 1.163 121.027 119.914 -0.084 0.000 2.293 195 V HA 0.681 4.801 4.120 -0.000 0.000 0.275 195 V C 0.563 176.604 176.094 -0.089 0.000 1.021 195 V CA 0.101 62.365 62.300 -0.060 0.000 0.815 195 V CB 0.692 32.483 31.823 -0.052 0.000 1.025 195 V HN 1.613 nan 8.190 nan 0.000 0.448 196 A N 7.719 130.514 122.820 -0.041 0.000 2.287 196 A HA 0.865 5.185 4.320 -0.000 0.000 0.317 196 A C -2.710 174.795 177.584 -0.132 0.000 1.220 196 A CA -1.874 50.131 52.037 -0.052 0.000 0.835 196 A CB 0.940 20.012 19.000 0.121 0.000 1.180 196 A HN 0.567 nan 8.150 nan 0.000 0.500 197 P HA 0.021 nan 4.420 nan 0.000 0.265 197 P C -0.514 176.506 177.300 -0.468 0.000 1.187 197 P CA 0.261 62.903 63.100 -0.763 0.000 0.766 197 P CB 0.416 31.000 31.700 -1.859 0.000 0.820 198 K N 4.050 124.227 120.400 -0.373 0.000 2.349 198 K HA 0.225 4.545 4.320 -0.000 0.000 0.288 198 K C 0.137 176.601 176.600 -0.225 0.000 1.058 198 K CA 0.029 56.147 56.287 -0.282 0.000 0.953 198 K CB 0.481 32.807 32.500 -0.290 0.000 0.997 198 K HN 0.371 nan 8.250 nan 0.000 0.477 199 R N 0.839 121.176 120.500 -0.271 0.000 2.670 199 R HA 0.276 4.616 4.340 -0.000 0.000 0.289 199 R C 0.450 176.841 176.300 0.152 0.000 0.965 199 R CA -0.361 55.608 56.100 -0.218 0.000 0.899 199 R CB 1.511 31.374 30.300 -0.728 0.000 1.173 199 R HN 0.671 nan 8.270 nan 0.000 0.456 200 A N 1.713 124.660 122.820 0.211 0.000 2.123 200 A HA 0.002 4.322 4.320 -0.000 0.000 0.214 200 A C 0.162 177.898 177.584 0.252 0.000 1.152 200 A CA 1.059 53.223 52.037 0.211 0.000 0.728 200 A CB -0.343 18.750 19.000 0.155 0.000 0.814 200 A HN 0.767 nan 8.150 nan 0.000 0.464 201 E N -3.297 117.112 120.200 0.349 0.000 2.416 201 E HA 0.489 4.839 4.350 -0.000 0.000 0.280 201 E C -0.236 176.640 176.600 0.461 0.000 1.055 201 E CA -0.725 55.864 56.400 0.316 0.000 0.825 201 E CB 0.618 30.422 29.700 0.173 0.000 1.312 201 E HN 1.369 nan 8.360 nan 0.000 0.452 202 G N 1.643 110.584 108.800 0.236 0.000 2.719 202 G HA2 0.043 4.003 3.960 -0.000 0.000 0.686 202 G HA3 0.043 4.003 3.960 -0.000 0.000 0.686 202 G C -0.856 174.335 174.900 0.484 0.000 1.201 202 G CA -0.207 44.959 45.100 0.109 0.000 0.768 202 G HN 0.965 nan 8.290 nan 0.000 0.629 203 D N 0.344 120.958 120.400 0.358 0.000 2.466 203 D HA 0.521 5.161 4.640 -0.000 0.000 0.262 203 D C 1.842 178.468 176.300 0.543 0.000 1.177 203 D CA -0.500 53.745 54.000 0.409 0.000 1.035 203 D CB 0.739 41.685 40.800 0.243 0.000 1.105 203 D HN 0.630 nan 8.370 nan 0.000 0.551 204 I N -0.150 120.683 120.570 0.437 0.000 2.208 204 I HA -0.277 3.892 4.170 -0.000 0.000 0.245 204 I C 2.100 178.411 176.117 0.322 0.000 1.097 204 I CA 1.824 63.369 61.300 0.409 0.000 1.363 204 I CB -0.241 37.937 38.000 0.296 0.000 1.051 204 I HN 0.529 nan 8.210 nan 0.000 0.413 205 A N 0.359 123.325 122.820 0.242 0.000 1.940 205 A HA -0.295 4.024 4.320 -0.000 0.000 0.219 205 A C 2.204 179.865 177.584 0.128 0.000 1.176 205 A CA 1.889 54.022 52.037 0.160 0.000 0.631 205 A CB -1.211 17.866 19.000 0.129 0.000 0.814 205 A HN 0.616 nan 8.150 nan 0.000 0.446 206 F N -0.981 118.970 119.950 0.001 0.000 2.102 206 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 206 F C 1.858 177.494 175.800 -0.273 0.000 1.105 206 F CA 1.748 59.635 58.000 -0.188 0.000 1.239 206 F CB -0.393 38.427 39.000 -0.301 0.000 0.991 206 F HN 0.379 nan 8.300 nan 0.000 0.474 207 W N 0.455 121.830 121.300 0.125 0.000 2.800 207 W HA 0.012 4.672 4.660 -0.000 0.000 0.249 207 W C 2.217 178.691 176.519 -0.075 0.000 1.294 207 W CA 0.458 57.800 57.345 -0.005 0.000 1.402 207 W CB -0.333 29.191 29.460 0.106 0.000 1.126 207 W HN 0.092 nan 8.180 nan 0.000 0.652 208 Q N -0.389 119.485 119.800 0.122 0.000 2.354 208 Q HA 0.102 4.442 4.340 -0.000 0.000 0.203 208 Q C 1.533 177.504 176.000 -0.049 0.000 0.933 208 Q CA 0.497 56.331 55.803 0.053 0.000 0.901 208 Q CB 0.022 28.802 28.738 0.071 0.000 1.007 208 Q HN 0.169 nan 8.270 nan 0.000 0.495 209 G N -0.197 108.512 108.800 -0.151 0.000 2.537 209 G HA2 0.437 4.397 3.960 -0.000 0.000 0.297 209 G HA3 0.437 4.397 3.960 -0.000 0.000 0.297 209 G C -0.743 173.985 174.900 -0.286 0.000 1.310 209 G CA -0.767 44.213 45.100 -0.201 0.000 1.027 209 G HN 0.098 nan 8.290 nan 0.000 0.505 210 L N 0.846 121.916 121.223 -0.256 0.000 2.456 210 L HA 0.142 4.482 4.340 -0.000 0.000 0.277 210 L C 0.064 176.682 176.870 -0.419 0.000 1.124 210 L CA -0.415 54.271 54.840 -0.257 0.000 0.880 210 L CB 0.606 42.573 42.059 -0.153 0.000 1.192 210 L HN 0.003 nan 8.230 nan 0.000 0.463 211 V N 5.854 125.462 119.914 -0.509 0.000 2.583 211 V HA 0.163 4.283 4.120 -0.000 0.000 0.287 211 V C -1.883 174.051 176.094 -0.267 0.000 1.051 211 V CA -1.684 60.209 62.300 -0.679 0.000 1.010 211 V CB 0.888 32.255 31.823 -0.760 0.000 0.988 211 V HN 0.603 nan 8.190 nan 0.000 0.478 212 P HA 0.060 nan 4.420 nan 0.000 0.261 212 P C 0.622 178.118 177.300 0.325 0.000 1.183 212 P CA 0.489 63.603 63.100 0.023 0.000 0.761 212 P CB 0.415 32.135 31.700 0.033 0.000 0.785 213 G N 2.111 111.095 108.800 0.308 0.000 3.820 213 G HA2 0.081 4.041 3.960 -0.000 0.000 0.293 213 G HA3 0.081 4.041 3.960 -0.000 0.000 0.293 213 G C 0.025 175.196 174.900 0.453 0.000 1.152 213 G CA -0.255 45.075 45.100 0.383 0.000 0.921 213 G HN 0.493 nan 8.290 nan 0.000 0.544 214 D N -1.144 119.480 120.400 0.373 0.000 2.538 214 D HA 0.235 4.874 4.640 -0.000 0.000 0.231 214 D C 0.180 176.472 176.300 -0.013 0.000 1.229 214 D CA -0.573 53.588 54.000 0.267 0.000 0.828 214 D CB 0.513 41.421 40.800 0.181 0.000 1.035 214 D HN -0.005 nan 8.370 nan 0.000 0.495 215 S N -0.545 115.099 115.700 -0.093 0.000 2.563 215 S HA 0.300 4.770 4.470 -0.000 0.000 0.279 215 S C 0.607 175.011 174.600 -0.327 0.000 1.155 215 S CA -0.068 57.912 58.200 -0.366 0.000 0.928 215 S CB 1.145 64.291 63.200 -0.091 0.000 1.107 215 S HN 0.090 nan 8.310 nan 0.000 0.462 216 S N 3.986 119.387 115.700 -0.498 0.000 2.500 216 S HA -0.107 4.363 4.470 -0.000 0.000 0.239 216 S C 1.691 176.249 174.600 -0.070 0.000 0.989 216 S CA 0.937 59.062 58.200 -0.125 0.000 0.951 216 S CB -0.387 62.777 63.200 -0.059 0.000 0.759 216 S HN 0.758 nan 8.310 nan 0.000 0.523 217 R N 0.236 120.627 120.500 -0.183 0.000 2.120 217 R HA -0.085 4.255 4.340 -0.000 0.000 0.234 217 R C 0.901 177.100 176.300 -0.170 0.000 1.123 217 R CA 1.548 57.485 56.100 -0.273 0.000 0.975 217 R CB -0.270 29.700 30.300 -0.551 0.000 0.866 217 R HN 0.669 nan 8.270 nan 0.000 0.446 218 Y N -0.603 119.870 120.300 0.288 0.000 2.485 218 Y HA 0.175 4.725 4.550 -0.000 0.000 0.260 218 Y C -0.073 176.179 175.900 0.586 0.000 1.173 218 Y CA -0.784 57.647 58.100 0.551 0.000 1.252 218 Y CB 0.665 39.466 38.460 0.568 0.000 1.123 218 Y HN -0.013 nan 8.280 nan 0.000 0.524 219 L N 3.421 124.846 121.223 0.338 0.000 2.288 219 L HA 0.213 4.553 4.340 -0.000 0.000 0.283 219 L C 0.042 176.945 176.870 0.055 0.000 1.072 219 L CA -0.909 53.959 54.840 0.046 0.000 0.862 219 L CB -0.187 41.813 42.059 -0.099 0.000 1.245 219 L HN 0.143 nan 8.230 nan 0.000 0.432 220 W N 3.048 124.460 121.300 0.187 0.000 2.215 220 W HA 0.493 5.153 4.660 -0.000 0.000 0.342 220 W C 0.105 176.645 176.519 0.034 0.000 1.237 220 W CA -0.172 57.209 57.345 0.060 0.000 1.283 220 W CB 0.243 29.675 29.460 -0.048 0.000 1.131 220 W HN 0.602 nan 8.180 nan 0.000 0.606 221 T N -2.700 112.067 114.554 0.355 0.000 3.186 221 T HA 0.261 4.611 4.350 -0.000 0.000 0.292 221 T C -0.229 174.599 174.700 0.214 0.000 0.915 221 T CA -0.208 62.023 62.100 0.220 0.000 0.902 221 T CB 0.258 69.174 68.868 0.082 0.000 1.192 221 T HN 0.513 nan 8.240 nan 0.000 0.563 222 E N 1.202 121.523 120.200 0.201 0.000 2.416 222 E HA 0.640 4.990 4.350 -0.000 0.000 0.273 222 E C -1.025 175.560 176.600 -0.025 0.000 0.935 222 E CA -0.990 55.450 56.400 0.067 0.000 0.784 222 E CB 2.430 32.136 29.700 0.011 0.000 1.301 222 E HN 0.393 nan 8.360 nan 0.000 0.454 223 T N -2.195 112.312 114.554 -0.077 0.000 2.901 223 T HA 0.375 4.725 4.350 -0.000 0.000 0.293 223 T C -0.590 174.028 174.700 -0.137 0.000 1.084 223 T CA -0.918 61.104 62.100 -0.130 0.000 1.008 223 T CB 1.083 69.913 68.868 -0.063 0.000 1.170 223 T HN 0.331 nan 8.240 nan 0.000 0.509 224 H N 2.022 121.084 119.070 -0.013 0.000 2.652 224 H HA 0.375 4.931 4.556 -0.000 0.000 0.349 224 H C -1.993 173.341 175.328 0.010 0.000 1.099 224 H CA -0.898 55.161 56.048 0.020 0.000 1.417 224 H CB 1.215 31.007 29.762 0.049 0.000 1.457 224 H HN 0.513 nan 8.280 nan 0.000 0.568 225 P HA -0.028 nan 4.420 nan 0.000 0.279 225 P C 1.086 178.432 177.300 0.076 0.000 1.276 225 P CA -0.619 62.524 63.100 0.072 0.000 0.801 225 P CB 1.324 33.052 31.700 0.047 0.000 1.127 226 L N 1.306 122.547 121.223 0.030 0.000 2.013 226 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 226 L C 1.775 178.671 176.870 0.043 0.000 1.073 226 L CA 2.352 57.202 54.840 0.016 0.000 0.753 226 L CB -1.457 40.585 42.059 -0.028 0.000 0.890 226 L HN 0.467 nan 8.230 nan 0.000 0.432 227 D N -2.333 118.095 120.400 0.047 0.000 2.371 227 D HA -0.178 4.462 4.640 -0.000 0.000 0.221 227 D C 1.083 177.441 176.300 0.096 0.000 0.986 227 D CA 0.747 54.785 54.000 0.063 0.000 0.899 227 D CB -0.390 40.435 40.800 0.042 0.000 0.902 227 D HN 0.366 nan 8.370 nan 0.000 0.530 228 D N 0.274 120.743 120.400 0.115 0.000 2.317 228 D HA 0.116 4.756 4.640 -0.000 0.000 0.211 228 D C 0.669 177.083 176.300 0.190 0.000 0.966 228 D CA 0.257 54.341 54.000 0.140 0.000 0.876 228 D CB 0.354 41.265 40.800 0.185 0.000 0.927 228 D HN 0.331 nan 8.370 nan 0.000 0.519 229 L N 0.957 122.254 121.223 0.124 0.000 2.343 229 L HA 0.363 4.703 4.340 -0.000 0.000 0.275 229 L C -2.209 174.613 176.870 -0.080 0.000 1.056 229 L CA -2.228 52.611 54.840 -0.001 0.000 0.804 229 L CB 1.028 43.106 42.059 0.032 0.000 1.203 229 L HN -0.348 nan 8.230 nan 0.000 0.440 230 P HA 0.106 nan 4.420 nan 0.000 0.261 230 P C -1.114 176.163 177.300 -0.038 0.000 1.183 230 P CA 0.372 63.066 63.100 -0.677 0.000 0.761 230 P CB 0.380 31.440 31.700 -1.067 0.000 0.785 231 R N 1.502 122.126 120.500 0.206 0.000 2.707 231 R HA 0.759 5.099 4.340 -0.000 0.000 0.272 231 R C -1.522 175.057 176.300 0.466 0.000 1.011 231 R CA -1.103 55.181 56.100 0.307 0.000 0.893 231 R CB 1.972 32.383 30.300 0.186 0.000 1.233 231 R HN 0.102 nan 8.270 nan 0.000 0.464 232 V N 0.837 121.000 119.914 0.414 0.000 2.733 232 V HA 0.516 4.636 4.120 -0.000 0.000 0.306 232 V C -0.841 175.379 176.094 0.210 0.000 1.084 232 V CA -0.686 61.797 62.300 0.305 0.000 0.905 232 V CB 2.412 34.391 31.823 0.260 0.000 1.010 232 V HN 0.842 nan 8.190 nan 0.000 0.424 233 T N 3.507 118.142 114.554 0.135 0.000 2.928 233 T HA 0.410 4.760 4.350 -0.000 0.000 0.296 233 T C -0.106 174.598 174.700 0.006 0.000 1.000 233 T CA -0.557 61.578 62.100 0.059 0.000 0.989 233 T CB 1.019 69.947 68.868 0.100 0.000 1.005 233 T HN 0.712 nan 8.240 nan 0.000 0.442 234 N N 2.450 121.124 118.700 -0.043 0.000 2.686 234 N HA -0.110 4.630 4.740 -0.000 0.000 0.261 234 N C -2.314 173.177 175.510 -0.031 0.000 1.001 234 N CA 0.384 53.407 53.050 -0.045 0.000 0.764 234 N CB -0.853 37.601 38.487 -0.055 0.000 0.898 234 N HN 0.484 nan 8.380 nan 0.000 0.544 235 P HA 0.188 nan 4.420 nan 0.000 0.274 235 P C -1.555 175.707 177.300 -0.063 0.000 1.256 235 P CA -1.023 62.038 63.100 -0.064 0.000 0.795 235 P CB 0.492 32.119 31.700 -0.121 0.000 1.038 236 P HA -0.082 nan 4.420 nan 0.000 0.218 236 P C 1.597 178.877 177.300 -0.034 0.000 1.149 236 P CA 1.636 64.706 63.100 -0.051 0.000 0.817 236 P CB -0.492 31.168 31.700 -0.066 0.000 0.785 237 G N -1.020 107.749 108.800 -0.051 0.000 2.559 237 G HA2 0.091 4.050 3.960 -0.000 0.000 0.216 237 G HA3 0.091 4.050 3.960 -0.000 0.000 0.216 237 G C 1.199 176.176 174.900 0.127 0.000 1.126 237 G CA 0.588 45.710 45.100 0.037 0.000 0.778 237 G HN 0.459 nan 8.290 nan 0.000 0.543 238 G N -1.211 107.612 108.800 0.038 0.000 2.143 238 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.248 238 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.248 238 G C 0.145 175.151 174.900 0.177 0.000 0.991 238 G CA 0.612 45.760 45.100 0.080 0.000 0.689 238 G HN 1.554 nan 8.290 nan 0.000 0.522 239 F N -1.878 118.073 119.950 0.002 0.000 2.713 239 F HA 0.790 5.317 4.527 -0.000 0.000 0.311 239 F C -0.590 175.244 175.800 0.057 0.000 1.141 239 F CA -1.137 56.873 58.000 0.017 0.000 0.939 239 F CB 1.156 40.140 39.000 -0.026 0.000 1.325 239 F HN 0.755 nan 8.300 nan 0.000 0.453 240 V N 0.433 120.421 119.914 0.123 0.000 3.078 240 V HA 0.962 5.082 4.120 -0.000 0.000 0.311 240 V C -1.493 174.850 176.094 0.414 0.000 1.138 240 V CA -0.705 61.632 62.300 0.062 0.000 1.007 240 V CB 1.426 33.319 31.823 0.117 0.000 1.045 240 V HN 1.403 nan 8.190 nan 0.000 0.432 241 Q N 1.262 121.252 119.800 0.318 0.000 2.435 241 Q HA 0.618 4.958 4.340 -0.000 0.000 0.282 241 Q C -1.608 174.527 176.000 0.224 0.000 1.020 241 Q CA -0.565 55.509 55.803 0.452 0.000 0.820 241 Q CB 1.959 31.096 28.738 0.664 0.000 1.436 241 Q HN 0.947 nan 8.270 nan 0.000 0.395 242 N N 0.641 119.503 118.700 0.269 0.000 2.369 242 N HA 0.361 5.101 4.740 -0.000 0.000 0.287 242 N C -1.354 174.269 175.510 0.189 0.000 1.067 242 N CA -0.378 52.794 53.050 0.204 0.000 0.888 242 N CB 2.089 40.725 38.487 0.249 0.000 1.616 242 N HN 0.620 nan 8.380 nan 0.000 0.482 243 S N 2.383 118.190 115.700 0.179 0.000 2.592 243 S HA 0.245 4.715 4.470 -0.000 0.000 0.243 243 S C 0.221 174.893 174.600 0.120 0.000 1.160 243 S CA -0.432 57.843 58.200 0.125 0.000 1.145 243 S CB -0.531 62.776 63.200 0.178 0.000 0.909 243 S HN 0.839 nan 8.310 nan 0.000 0.487 244 N N 1.560 120.336 118.700 0.128 0.000 2.936 244 N HA -0.155 4.585 4.740 -0.000 0.000 0.236 244 N C -0.620 174.955 175.510 0.109 0.000 0.930 244 N CA 1.202 54.325 53.050 0.121 0.000 0.966 244 N CB -1.034 37.519 38.487 0.110 0.000 1.090 244 N HN 0.614 nan 8.380 nan 0.000 0.592 245 D N 0.573 121.052 120.400 0.131 0.000 2.382 245 D HA 0.211 4.851 4.640 -0.000 0.000 0.240 245 D C -2.295 174.034 176.300 0.049 0.000 1.146 245 D CA -1.134 52.932 54.000 0.110 0.000 0.897 245 D CB -0.087 40.915 40.800 0.337 0.000 1.197 245 D HN -0.032 nan 8.370 nan 0.000 0.432 246 P HA 0.042 nan 4.420 nan 0.000 0.267 246 P C -1.945 175.161 177.300 -0.324 0.000 1.195 246 P CA -0.651 62.308 63.100 -0.236 0.000 0.773 246 P CB -0.152 31.420 31.700 -0.214 0.000 0.837 247 P HA 0.039 nan 4.420 nan 0.000 0.253 247 P C -0.054 177.043 177.300 -0.338 0.000 1.508 247 P CA 0.414 63.226 63.100 -0.480 0.000 0.883 247 P CB -0.484 30.913 31.700 -0.505 0.000 1.519 248 W N 0.157 121.644 121.300 0.311 0.000 2.942 248 W HA 0.088 4.748 4.660 -0.000 0.000 0.263 248 W C 0.686 177.323 176.519 0.196 0.000 1.296 248 W CA 0.227 57.763 57.345 0.318 0.000 1.504 248 W CB -0.056 29.635 29.460 0.386 0.000 1.096 248 W HN 0.017 nan 8.180 nan 0.000 0.639 249 T N -2.652 112.089 114.554 0.311 0.000 3.514 249 T HA 0.205 4.554 4.350 -0.000 0.000 0.259 249 T C -1.703 173.030 174.700 0.056 0.000 1.466 249 T CA -1.583 60.621 62.100 0.172 0.000 1.562 249 T CB 0.728 69.665 68.868 0.113 0.000 0.924 249 T HN -0.188 nan 8.240 nan 0.000 0.678 250 P HA 0.134 nan 4.420 nan 0.000 0.236 250 P C 0.465 177.629 177.300 -0.227 0.000 1.177 250 P CA 0.647 63.590 63.100 -0.262 0.000 0.773 250 P CB 0.418 31.790 31.700 -0.548 0.000 0.878 251 T N -2.124 112.302 114.554 -0.212 0.000 2.711 251 T HA 0.433 4.783 4.350 -0.000 0.000 0.302 251 T C -2.689 171.992 174.700 -0.030 0.000 1.373 251 T CA -0.681 61.123 62.100 -0.493 0.000 1.000 251 T CB 1.101 69.614 68.868 -0.592 0.000 1.483 251 T HN -0.029 nan 8.240 nan 0.000 0.499 252 W N 4.110 125.227 121.300 -0.306 0.000 3.036 252 W HA 0.425 5.085 4.660 -0.000 0.000 0.337 252 W C -2.749 173.760 176.519 -0.018 0.000 1.055 252 W CA -1.896 55.434 57.345 -0.025 0.000 1.248 252 W CB 1.882 31.445 29.460 0.172 0.000 1.335 252 W HN 0.581 nan 8.180 nan 0.000 0.446 253 P HA 0.085 nan 4.420 nan 0.000 0.274 253 P C 0.167 177.247 177.300 -0.366 0.000 1.237 253 P CA 0.073 62.780 63.100 -0.655 0.000 0.793 253 P CB 1.226 32.614 31.700 -0.520 0.000 0.977 254 V N -0.930 118.768 119.914 -0.361 0.000 3.376 254 V HA 0.283 4.403 4.120 -0.000 0.000 0.303 254 V C 1.184 177.146 176.094 -0.220 0.000 1.100 254 V CA 0.926 63.092 62.300 -0.224 0.000 1.126 254 V CB -0.363 31.381 31.823 -0.133 0.000 1.085 254 V HN 0.829 nan 8.190 nan 0.000 0.480 255 T N -2.173 112.229 114.554 -0.253 0.000 3.058 255 T HA 0.407 4.757 4.350 -0.000 0.000 0.278 255 T C -0.064 174.659 174.700 0.038 0.000 0.974 255 T CA 0.449 62.483 62.100 -0.111 0.000 0.893 255 T CB -0.373 68.462 68.868 -0.054 0.000 1.138 255 T HN 1.303 nan 8.240 nan 0.000 0.529 256 Y N -0.345 120.043 120.300 0.147 0.000 2.764 256 Y HA 0.784 5.334 4.550 -0.000 0.000 0.331 256 Y C -0.696 175.327 175.900 0.205 0.000 1.280 256 Y CA -1.322 56.892 58.100 0.190 0.000 1.065 256 Y CB 0.645 39.314 38.460 0.347 0.000 1.319 256 Y HN 0.140 nan 8.280 nan 0.000 0.453 257 T N -3.294 111.534 114.554 0.457 0.000 2.887 257 T HA 0.469 4.819 4.350 -0.000 0.000 0.292 257 T C -2.611 172.143 174.700 0.090 0.000 1.087 257 T CA -2.414 59.830 62.100 0.239 0.000 1.009 257 T CB 2.091 70.990 68.868 0.051 0.000 1.203 257 T HN 0.349 nan 8.240 nan 0.000 0.518 258 P HA -0.092 nan 4.420 nan 0.000 0.217 258 P C 1.313 178.434 177.300 -0.299 0.000 1.148 258 P CA 1.093 63.654 63.100 -0.898 0.000 0.828 258 P CB 0.057 31.170 31.700 -0.978 0.000 0.783 259 K N -0.665 119.632 120.400 -0.172 0.000 2.362 259 K HA -0.087 4.233 4.320 -0.000 0.000 0.200 259 K C 0.860 177.388 176.600 -0.120 0.000 1.046 259 K CA 0.937 57.156 56.287 -0.112 0.000 0.952 259 K CB -0.523 31.926 32.500 -0.084 0.000 0.753 259 K HN 0.245 nan 8.250 nan 0.000 0.466 260 D N -0.221 120.089 120.400 -0.149 0.000 2.378 260 D HA 0.014 4.654 4.640 -0.000 0.000 0.227 260 D C -0.220 175.623 176.300 -0.761 0.000 1.012 260 D CA 0.673 54.438 54.000 -0.393 0.000 0.905 260 D CB -0.025 40.510 40.800 -0.442 0.000 0.895 260 D HN 0.023 nan 8.370 nan 0.000 0.532 261 F N 0.026 119.912 119.950 -0.106 0.000 2.601 261 F HA 0.309 4.836 4.527 -0.000 0.000 0.309 261 F C -1.973 173.712 175.800 -0.191 0.000 1.089 261 F CA -2.455 55.460 58.000 -0.142 0.000 0.940 261 F CB 1.550 40.496 39.000 -0.089 0.000 1.273 261 F HN -0.342 nan 8.300 nan 0.000 0.450 262 P HA 0.018 nan 4.420 nan 0.000 0.265 262 P C 0.407 177.509 177.300 -0.331 0.000 1.187 262 P CA 0.106 63.002 63.100 -0.340 0.000 0.766 262 P CB 0.754 31.981 31.700 -0.789 0.000 0.820 263 S N 0.998 116.605 115.700 -0.155 0.000 2.607 263 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 263 S C 1.295 175.963 174.600 0.114 0.000 0.969 263 S CA 0.268 58.478 58.200 0.017 0.000 0.927 263 S CB -1.119 62.134 63.200 0.089 0.000 0.772 263 S HN 0.587 nan 8.310 nan 0.000 0.533 264 Y N -0.306 120.099 120.300 0.176 0.000 2.466 264 Y HA 0.517 5.067 4.550 -0.000 0.000 0.272 264 Y C 1.458 177.428 175.900 0.115 0.000 1.169 264 Y CA -0.982 57.233 58.100 0.191 0.000 1.285 264 Y CB -0.534 38.031 38.460 0.175 0.000 1.078 264 Y HN 0.135 nan 8.280 nan 0.000 0.523 265 L N 0.591 121.835 121.223 0.035 0.000 2.109 265 L HA 0.262 4.602 4.340 -0.000 0.000 0.207 265 L C 0.854 177.783 176.870 0.098 0.000 1.086 265 L CA 0.814 55.684 54.840 0.051 0.000 0.760 265 L CB -0.175 41.763 42.059 -0.202 0.000 0.910 265 L HN 0.388 nan 8.230 nan 0.000 0.437 266 A N -0.869 121.997 122.820 0.077 0.000 2.589 266 A HA 0.624 4.944 4.320 -0.000 0.000 0.296 266 A C -2.644 175.083 177.584 0.237 0.000 1.062 266 A CA -0.972 51.111 52.037 0.075 0.000 0.686 266 A CB 1.050 19.819 19.000 -0.385 0.000 1.282 266 A HN -0.198 nan 8.150 nan 0.000 0.404 267 P HA 0.298 nan 4.420 nan 0.000 0.274 267 P C -0.776 176.738 177.300 0.358 0.000 1.246 267 P CA 0.018 63.254 63.100 0.226 0.000 0.795 267 P CB 0.679 32.459 31.700 0.134 0.000 1.006 268 Q N -0.206 119.756 119.800 0.270 0.000 2.354 268 Q HA 0.191 4.531 4.340 -0.000 0.000 0.372 268 Q C -0.084 176.007 176.000 0.152 0.000 0.923 268 Q CA -0.267 55.703 55.803 0.277 0.000 1.123 268 Q CB 0.278 29.109 28.738 0.154 0.000 1.298 268 Q HN 0.519 nan 8.270 nan 0.000 0.419 269 T N -2.800 111.756 114.554 0.003 0.000 2.927 269 T HA 0.490 4.840 4.350 -0.000 0.000 0.281 269 T C -2.480 171.892 174.700 -0.547 0.000 0.998 269 T CA -2.282 59.736 62.100 -0.136 0.000 1.019 269 T CB 1.045 69.857 68.868 -0.093 0.000 1.061 269 T HN -0.089 nan 8.240 nan 0.000 0.518 270 P HA 0.092 nan 4.420 nan 0.000 0.263 270 P C -0.520 176.160 177.300 -1.035 0.000 1.175 270 P CA 0.174 62.496 63.100 -1.296 0.000 0.761 270 P CB -0.045 31.339 31.700 -0.526 0.000 0.794 271 H N -0.137 118.208 119.070 -1.208 0.000 2.722 271 H HA 0.227 4.783 4.556 -0.000 0.000 0.328 271 H C 0.957 176.157 175.328 -0.214 0.000 1.067 271 H CA 0.111 55.915 56.048 -0.407 0.000 1.447 271 H CB 0.248 29.953 29.762 -0.096 0.000 1.469 271 H HN 0.342 nan 8.280 nan 0.000 0.544 272 S N 2.873 118.590 115.700 0.029 0.000 2.569 272 S HA -0.036 4.434 4.470 -0.000 0.000 0.274 272 S C 1.359 176.044 174.600 0.141 0.000 1.353 272 S CA -0.529 57.723 58.200 0.086 0.000 1.023 272 S CB 0.474 63.738 63.200 0.106 0.000 0.876 272 S HN 0.656 nan 8.310 nan 0.000 0.540 273 L N 1.112 122.431 121.223 0.161 0.000 2.141 273 L HA -0.044 4.295 4.340 -0.000 0.000 0.209 273 L C 2.973 179.956 176.870 0.188 0.000 1.094 273 L CA 1.542 56.487 54.840 0.175 0.000 0.763 273 L CB -0.598 41.580 42.059 0.199 0.000 0.908 273 L HN 0.827 nan 8.230 nan 0.000 0.437 274 R N 0.764 121.383 120.500 0.199 0.000 2.091 274 R HA -0.186 4.154 4.340 -0.000 0.000 0.238 274 R C 2.299 178.769 176.300 0.283 0.000 1.136 274 R CA 1.556 57.800 56.100 0.240 0.000 0.959 274 R CB -0.196 30.207 30.300 0.173 0.000 0.856 274 R HN 0.322 nan 8.270 nan 0.000 0.437 275 A N 0.484 123.442 122.820 0.230 0.000 1.929 275 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 275 A C 2.013 179.713 177.584 0.193 0.000 1.176 275 A CA 1.135 53.317 52.037 0.240 0.000 0.628 275 A CB -0.320 18.824 19.000 0.240 0.000 0.816 275 A HN 0.496 nan 8.150 nan 0.000 0.444 276 Q N -0.782 119.112 119.800 0.156 0.000 2.124 276 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 276 Q C 2.198 178.229 176.000 0.052 0.000 0.977 276 Q CA 1.352 57.203 55.803 0.081 0.000 0.850 276 Q CB -0.153 28.645 28.738 0.099 0.000 0.901 276 Q HN 0.608 nan 8.270 nan 0.000 0.429 277 Q N -0.170 119.698 119.800 0.113 0.000 2.172 277 Q HA -0.094 4.246 4.340 -0.000 0.000 0.200 277 Q C 2.181 178.214 176.000 0.054 0.000 0.964 277 Q CA 0.959 56.808 55.803 0.077 0.000 0.855 277 Q CB -0.184 28.643 28.738 0.149 0.000 0.918 277 Q HN 0.232 nan 8.270 nan 0.000 0.444 278 S N 0.046 115.872 115.700 0.209 0.000 2.359 278 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 278 S C 2.043 176.720 174.600 0.128 0.000 1.035 278 S CA 1.271 59.663 58.200 0.321 0.000 1.018 278 S CB -0.051 63.496 63.200 0.579 0.000 0.876 278 S HN 0.180 nan 8.310 nan 0.000 0.448 279 V N 2.031 121.988 119.914 0.072 0.000 2.358 279 V HA -0.103 4.017 4.120 -0.000 0.000 0.246 279 V C 2.690 178.649 176.094 -0.225 0.000 1.047 279 V CA 1.894 64.182 62.300 -0.021 0.000 1.035 279 V CB -0.676 31.113 31.823 -0.057 0.000 0.658 279 V HN 0.429 nan 8.190 nan 0.000 0.452 280 R N -0.363 120.008 120.500 -0.215 0.000 2.081 280 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 280 R C 2.303 178.423 176.300 -0.300 0.000 1.131 280 R CA 1.385 57.339 56.100 -0.244 0.000 0.960 280 R CB -0.453 29.742 30.300 -0.176 0.000 0.856 280 R HN 0.406 nan 8.270 nan 0.000 0.436 281 L N -0.052 120.972 121.223 -0.332 0.000 2.083 281 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 281 L C 2.508 178.991 176.870 -0.644 0.000 1.083 281 L CA 0.945 55.526 54.840 -0.432 0.000 0.752 281 L CB -0.250 41.545 42.059 -0.439 0.000 0.899 281 L HN 0.202 nan 8.230 nan 0.000 0.433 282 M N -0.573 118.503 119.600 -0.872 0.000 2.160 282 M HA -0.082 4.398 4.480 -0.000 0.000 0.264 282 M C 2.732 178.498 176.300 -0.889 0.000 1.073 282 M CA 1.859 56.473 55.300 -1.142 0.000 1.142 282 M CB -1.099 30.389 32.600 -1.853 0.000 1.358 282 M HN 0.343 nan 8.290 nan 0.000 0.422 283 S N -0.038 115.237 115.700 -0.709 0.000 2.399 283 S HA -0.117 4.353 4.470 -0.000 0.000 0.231 283 S C 1.570 176.080 174.600 -0.149 0.000 1.022 283 S CA 1.148 59.202 58.200 -0.243 0.000 0.983 283 S CB -0.566 62.645 63.200 0.018 0.000 0.803 283 S HN 0.567 nan 8.310 nan 0.000 0.480 284 E N 1.173 121.247 120.200 -0.210 0.000 2.474 284 E HA 0.188 4.538 4.350 -0.000 0.000 0.194 284 E C -0.263 176.249 176.600 -0.146 0.000 1.041 284 E CA -0.069 56.245 56.400 -0.143 0.000 0.874 284 E CB 0.117 29.730 29.700 -0.145 0.000 0.914 284 E HN 0.503 nan 8.360 nan 0.000 0.498 285 N N 1.284 119.864 118.700 -0.199 0.000 2.321 285 N HA 0.207 4.947 4.740 -0.000 0.000 0.299 285 N C -1.227 174.195 175.510 -0.148 0.000 1.048 285 N CA -0.321 52.625 53.050 -0.174 0.000 0.836 285 N CB 2.026 40.385 38.487 -0.213 0.000 1.269 285 N HN -0.058 nan 8.380 nan 0.000 0.486 286 D N -0.534 119.804 120.400 -0.103 0.000 2.523 286 D HA 0.243 4.883 4.640 -0.000 0.000 0.236 286 D C -0.689 175.570 176.300 -0.069 0.000 1.094 286 D CA -0.154 53.800 54.000 -0.076 0.000 0.942 286 D CB 1.243 42.010 40.800 -0.054 0.000 1.447 286 D HN 0.536 nan 8.370 nan 0.000 0.479 287 D N 0.382 120.747 120.400 -0.058 0.000 2.772 287 D HA -0.185 4.455 4.640 -0.000 0.000 0.233 287 D C -0.780 175.484 176.300 -0.060 0.000 1.143 287 D CA 0.471 54.439 54.000 -0.053 0.000 0.700 287 D CB -1.153 39.620 40.800 -0.045 0.000 1.076 287 D HN 0.341 nan 8.370 nan 0.000 0.430 288 L N 0.687 121.867 121.223 -0.073 0.000 2.455 288 L HA 0.208 4.548 4.340 -0.000 0.000 0.272 288 L C 1.530 178.357 176.870 -0.072 0.000 1.174 288 L CA 0.605 55.403 54.840 -0.071 0.000 0.869 288 L CB 0.587 42.597 42.059 -0.082 0.000 1.130 288 L HN 0.225 nan 8.230 nan 0.000 0.474 289 T N -0.110 114.412 114.554 -0.052 0.000 2.902 289 T HA 0.218 4.567 4.350 -0.000 0.000 0.280 289 T C 0.906 175.584 174.700 -0.037 0.000 0.992 289 T CA -0.908 61.160 62.100 -0.053 0.000 1.015 289 T CB 1.376 70.218 68.868 -0.043 0.000 1.044 289 T HN 0.441 nan 8.240 nan 0.000 0.520 290 L N 0.740 121.930 121.223 -0.055 0.000 2.079 290 L HA -0.024 4.316 4.340 -0.000 0.000 0.210 290 L C 2.326 179.208 176.870 0.020 0.000 1.081 290 L CA 1.922 56.749 54.840 -0.022 0.000 0.752 290 L CB -1.232 40.802 42.059 -0.041 0.000 0.896 290 L HN 0.823 nan 8.230 nan 0.000 0.433 291 E N -0.727 119.448 120.200 -0.041 0.000 2.072 291 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 291 E C 2.306 178.882 176.600 -0.041 0.000 0.985 291 E CA 1.289 57.642 56.400 -0.078 0.000 0.801 291 E CB -0.223 29.426 29.700 -0.085 0.000 0.750 291 E HN 0.337 nan 8.360 nan 0.000 0.452 292 R N -0.170 120.324 120.500 -0.009 0.000 2.119 292 R HA -0.033 4.307 4.340 -0.000 0.000 0.222 292 R C 1.846 178.164 176.300 0.030 0.000 1.088 292 R CA 0.766 56.860 56.100 -0.010 0.000 0.984 292 R CB -0.638 29.646 30.300 -0.026 0.000 0.884 292 R HN 0.192 nan 8.270 nan 0.000 0.447 293 F N 0.458 120.348 119.950 -0.100 0.000 2.095 293 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 293 F C 1.881 177.679 175.800 -0.003 0.000 1.104 293 F CA 1.926 59.888 58.000 -0.062 0.000 1.232 293 F CB -0.194 38.771 39.000 -0.057 0.000 0.987 293 F HN 0.030 nan 8.300 nan 0.000 0.475 294 M N -0.428 119.159 119.600 -0.022 0.000 2.132 294 M HA -0.160 4.319 4.480 -0.000 0.000 0.263 294 M C 2.431 178.636 176.300 -0.158 0.000 1.065 294 M CA 1.716 56.886 55.300 -0.216 0.000 1.122 294 M CB -0.617 31.802 32.600 -0.301 0.000 1.365 294 M HN 0.258 nan 8.290 nan 0.000 0.411 295 A N 0.259 123.028 122.820 -0.086 0.000 1.933 295 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 295 A C 2.061 179.635 177.584 -0.016 0.000 1.175 295 A CA 1.375 53.388 52.037 -0.039 0.000 0.628 295 A CB -0.942 18.038 19.000 -0.032 0.000 0.814 295 A HN 0.464 nan 8.150 nan 0.000 0.444 296 L N -0.809 120.395 121.223 -0.032 0.000 2.141 296 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 296 L C 2.852 179.780 176.870 0.097 0.000 1.094 296 L CA 1.352 56.185 54.840 -0.013 0.000 0.763 296 L CB -0.450 41.531 42.059 -0.130 0.000 0.908 296 L HN 0.494 nan 8.230 nan 0.000 0.437 297 Q N 0.731 120.574 119.800 0.071 0.000 2.170 297 Q HA -0.182 4.158 4.340 -0.000 0.000 0.203 297 Q C 2.098 178.198 176.000 0.167 0.000 0.976 297 Q CA 1.370 57.206 55.803 0.055 0.000 0.858 297 Q CB -0.060 28.580 28.738 -0.163 0.000 0.907 297 Q HN 0.557 nan 8.270 nan 0.000 0.433 298 L N 0.908 122.189 121.223 0.097 0.000 2.622 298 L HA 0.013 4.353 4.340 -0.000 0.000 0.233 298 L C 0.865 177.821 176.870 0.144 0.000 1.156 298 L CA -0.287 54.604 54.840 0.084 0.000 0.866 298 L CB -0.159 41.920 42.059 0.034 0.000 0.980 298 L HN -0.093 nan 8.230 nan 0.000 0.448 299 S N 0.446 116.288 115.700 0.237 0.000 2.642 299 S HA -0.115 4.354 4.470 -0.000 0.000 0.308 299 S C 0.509 175.370 174.600 0.436 0.000 1.255 299 S CA 0.336 58.728 58.200 0.320 0.000 1.057 299 S CB -0.256 63.064 63.200 0.199 0.000 0.785 299 S HN 0.581 nan 8.310 nan 0.000 0.500 300 H N -0.321 118.849 119.070 0.166 0.000 3.038 300 H HA 0.500 5.056 4.556 -0.000 0.000 0.223 300 H C -0.311 175.136 175.328 0.198 0.000 1.400 300 H CA -0.912 55.286 56.048 0.249 0.000 1.153 300 H CB 0.154 30.083 29.762 0.278 0.000 2.234 300 H HN 0.350 nan 8.280 nan 0.000 0.541 301 R N 1.706 122.261 120.500 0.092 0.000 2.438 301 R HA 0.479 4.819 4.340 -0.000 0.000 0.287 301 R C 0.095 176.322 176.300 -0.121 0.000 1.077 301 R CA -0.003 56.010 56.100 -0.146 0.000 1.034 301 R CB 0.688 30.922 30.300 -0.109 0.000 0.993 301 R HN 0.538 nan 8.270 nan 0.000 0.459 302 A N 5.024 127.519 122.820 -0.541 0.000 3.063 302 A HA 0.145 4.464 4.320 -0.000 0.000 0.263 302 A C 0.996 178.441 177.584 -0.232 0.000 1.736 302 A CA -0.440 51.321 52.037 -0.459 0.000 1.408 302 A CB -0.484 17.907 19.000 -1.015 0.000 1.108 302 A HN 0.717 nan 8.150 nan 0.000 0.621 303 V N 1.449 121.357 119.914 -0.010 0.000 2.469 303 V HA -0.325 3.794 4.120 -0.000 0.000 0.251 303 V C 2.416 178.579 176.094 0.116 0.000 1.064 303 V CA 2.470 64.788 62.300 0.030 0.000 1.066 303 V CB -0.821 31.061 31.823 0.098 0.000 0.667 303 V HN 0.939 nan 8.190 nan 0.000 0.461 304 M N -0.246 119.502 119.600 0.246 0.000 2.175 304 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 304 M C 2.208 178.754 176.300 0.411 0.000 1.063 304 M CA 1.823 57.390 55.300 0.444 0.000 1.119 304 M CB -0.258 32.731 32.600 0.650 0.000 1.377 304 M HN 0.364 nan 8.290 nan 0.000 0.415 305 A N 0.587 123.431 122.820 0.041 0.000 1.892 305 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 305 A C 1.685 179.190 177.584 -0.132 0.000 1.188 305 A CA 2.245 54.086 52.037 -0.326 0.000 0.631 305 A CB -1.114 17.279 19.000 -1.011 0.000 0.822 305 A HN 0.545 nan 8.150 nan 0.000 0.447 306 D N -0.672 119.647 120.400 -0.135 0.000 2.190 306 D HA -0.149 4.491 4.640 -0.000 0.000 0.200 306 D C 1.952 178.334 176.300 0.137 0.000 0.992 306 D CA 1.033 55.013 54.000 -0.033 0.000 0.854 306 D CB -0.212 40.565 40.800 -0.038 0.000 0.936 306 D HN 0.338 nan 8.370 nan 0.000 0.462 307 R N -0.251 120.371 120.500 0.205 0.000 2.210 307 R HA 0.052 4.392 4.340 -0.000 0.000 0.203 307 R C 2.015 178.358 176.300 0.072 0.000 1.010 307 R CA 0.888 57.156 56.100 0.279 0.000 1.008 307 R CB -0.209 30.328 30.300 0.396 0.000 0.923 307 R HN 0.351 nan 8.270 nan 0.000 0.469 308 T N -2.871 111.748 114.554 0.109 0.000 2.987 308 T HA 0.219 4.569 4.350 -0.000 0.000 0.248 308 T C 2.030 176.654 174.700 -0.127 0.000 0.997 308 T CA -0.256 61.832 62.100 -0.020 0.000 1.013 308 T CB -0.158 68.746 68.868 0.060 0.000 1.077 308 T HN -0.050 nan 8.240 nan 0.000 0.483 309 L N 1.260 122.432 121.223 -0.085 0.000 2.083 309 L HA 0.069 4.409 4.340 -0.000 0.000 0.209 309 L C -0.558 176.255 176.870 -0.095 0.000 1.083 309 L CA 1.269 56.031 54.840 -0.130 0.000 0.752 309 L CB -1.583 40.408 42.059 -0.113 0.000 0.899 309 L HN 0.224 nan 8.230 nan 0.000 0.433 310 P HA -0.182 nan 4.420 nan 0.000 0.216 310 P C 0.850 178.141 177.300 -0.016 0.000 1.154 310 P CA 1.521 64.622 63.100 0.002 0.000 0.865 310 P CB 0.043 31.803 31.700 0.100 0.000 0.789 311 D N -1.793 118.578 120.400 -0.048 0.000 2.213 311 D HA -0.034 4.605 4.640 -0.000 0.000 0.205 311 D C 1.784 178.037 176.300 -0.078 0.000 0.961 311 D CA 0.521 54.493 54.000 -0.046 0.000 0.853 311 D CB -0.652 40.116 40.800 -0.053 0.000 0.967 311 D HN 0.048 nan 8.370 nan 0.000 0.496 312 L N 0.678 121.811 121.223 -0.150 0.000 2.072 312 L HA -0.060 4.279 4.340 -0.000 0.000 0.205 312 L C 1.826 178.596 176.870 -0.168 0.000 1.079 312 L CA 1.101 55.812 54.840 -0.214 0.000 0.752 312 L CB -0.294 41.480 42.059 -0.475 0.000 0.906 312 L HN -0.121 nan 8.230 nan 0.000 0.436 313 I N 0.938 121.423 120.570 -0.141 0.000 2.099 313 I HA -0.159 4.010 4.170 -0.000 0.000 0.239 313 I C -0.097 175.982 176.117 -0.064 0.000 1.066 313 I CA 1.569 62.809 61.300 -0.101 0.000 1.324 313 I CB -2.994 34.960 38.000 -0.077 0.000 1.037 313 I HN 0.233 nan 8.210 nan 0.000 0.401 314 P HA -0.163 nan 4.420 nan 0.000 0.215 314 P C 1.666 178.952 177.300 -0.023 0.000 1.157 314 P CA 2.361 65.445 63.100 -0.027 0.000 0.874 314 P CB -0.111 31.579 31.700 -0.015 0.000 0.790 315 A N 0.367 123.172 122.820 -0.026 0.000 1.940 315 A HA -0.138 4.181 4.320 -0.000 0.000 0.219 315 A C 2.450 180.023 177.584 -0.018 0.000 1.176 315 A CA 2.468 54.497 52.037 -0.014 0.000 0.631 315 A CB -1.568 17.427 19.000 -0.008 0.000 0.814 315 A HN 0.251 nan 8.150 nan 0.000 0.446 316 A N -0.779 122.018 122.820 -0.039 0.000 2.014 316 A HA 0.138 4.458 4.320 -0.000 0.000 0.218 316 A C 1.996 179.565 177.584 -0.025 0.000 1.163 316 A CA 1.168 53.182 52.037 -0.038 0.000 0.652 316 A CB -0.431 18.526 19.000 -0.072 0.000 0.808 316 A HN 0.459 nan 8.150 nan 0.000 0.449 317 L N -0.700 120.508 121.223 -0.025 0.000 2.478 317 L HA 0.051 4.391 4.340 -0.000 0.000 0.223 317 L C 1.996 178.861 176.870 -0.009 0.000 1.140 317 L CA 0.321 55.151 54.840 -0.017 0.000 0.842 317 L CB -0.205 41.843 42.059 -0.018 0.000 0.953 317 L HN 0.348 nan 8.230 nan 0.000 0.452 318 I N -0.529 120.037 120.570 -0.006 0.000 2.546 318 I HA -0.162 4.007 4.170 -0.000 0.000 0.255 318 I C 0.767 176.885 176.117 0.002 0.000 1.163 318 I CA 0.467 61.766 61.300 -0.001 0.000 1.457 318 I CB -0.011 37.990 38.000 0.003 0.000 1.092 318 I HN 0.214 nan 8.210 nan 0.000 0.434 319 D N 0.525 120.926 120.400 0.002 0.000 2.382 319 D HA 0.030 4.670 4.640 -0.000 0.000 0.245 319 D C -1.549 174.754 176.300 0.005 0.000 1.120 319 D CA -1.357 52.646 54.000 0.006 0.000 0.890 319 D CB 1.219 42.024 40.800 0.007 0.000 1.201 319 D HN -0.087 nan 8.370 nan 0.000 0.433 320 P HA -0.023 nan 4.420 nan 0.000 0.222 320 P C -0.282 177.021 177.300 0.005 0.000 1.153 320 P CA 0.325 63.428 63.100 0.005 0.000 0.798 320 P CB 0.124 31.828 31.700 0.007 0.000 0.796 321 D N 0.563 120.967 120.400 0.007 0.000 2.412 321 D HA 0.003 4.643 4.640 -0.000 0.000 0.257 321 D C -1.473 174.830 176.300 0.005 0.000 1.217 321 D CA -1.775 52.229 54.000 0.007 0.000 0.897 321 D CB 0.737 41.543 40.800 0.011 0.000 1.132 321 D HN 0.028 nan 8.370 nan 0.000 0.493 322 P HA -0.081 nan 4.420 nan 0.000 0.222 322 P C 1.040 178.341 177.300 0.001 0.000 1.147 322 P CA 0.692 63.793 63.100 0.001 0.000 0.790 322 P CB 0.377 32.077 31.700 0.001 0.000 0.780 323 E N -0.519 119.684 120.200 0.004 0.000 2.107 323 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 323 E C 1.835 178.438 176.600 0.005 0.000 0.982 323 E CA 0.848 57.251 56.400 0.006 0.000 0.809 323 E CB -0.188 29.518 29.700 0.010 0.000 0.756 323 E HN 0.031 nan 8.360 nan 0.000 0.459 324 V N 1.212 121.129 119.914 0.006 0.000 2.307 324 V HA -0.273 3.846 4.120 -0.000 0.000 0.245 324 V C 2.255 178.344 176.094 -0.009 0.000 1.045 324 V CA 1.714 64.015 62.300 0.002 0.000 1.024 324 V CB -0.475 31.352 31.823 0.007 0.000 0.651 324 V HN 0.256 nan 8.190 nan 0.000 0.449 325 Q N 0.024 119.820 119.800 -0.008 0.000 2.096 325 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 325 Q C 2.388 178.380 176.000 -0.013 0.000 0.982 325 Q CA 1.927 57.723 55.803 -0.012 0.000 0.850 325 Q CB -0.447 28.286 28.738 -0.008 0.000 0.901 325 Q HN 0.674 nan 8.270 nan 0.000 0.422 326 A N 0.860 123.675 122.820 -0.009 0.000 1.930 326 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 326 A C 2.263 179.839 177.584 -0.013 0.000 1.175 326 A CA 1.386 53.417 52.037 -0.010 0.000 0.627 326 A CB -0.646 18.350 19.000 -0.006 0.000 0.815 326 A HN 0.389 nan 8.150 nan 0.000 0.443 327 A N -0.127 122.686 122.820 -0.013 0.000 1.930 327 A HA 0.217 4.537 4.320 -0.000 0.000 0.217 327 A C 2.441 180.008 177.584 -0.028 0.000 1.175 327 A CA 1.805 53.833 52.037 -0.016 0.000 0.627 327 A CB -0.841 18.154 19.000 -0.007 0.000 0.815 327 A HN 0.973 nan 8.150 nan 0.000 0.443 328 A N -0.130 122.669 122.820 -0.035 0.000 1.930 328 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 328 A C 2.253 179.818 177.584 -0.030 0.000 1.175 328 A CA 1.378 53.387 52.037 -0.047 0.000 0.627 328 A CB -0.385 18.584 19.000 -0.052 0.000 0.815 328 A HN 0.547 nan 8.150 nan 0.000 0.443 329 R N -1.214 119.274 120.500 -0.021 0.000 2.093 329 R HA 0.007 4.347 4.340 -0.000 0.000 0.224 329 R C 2.113 178.410 176.300 -0.006 0.000 1.101 329 R CA 1.132 57.224 56.100 -0.013 0.000 0.979 329 R CB -0.551 29.742 30.300 -0.012 0.000 0.877 329 R HN 0.489 nan 8.270 nan 0.000 0.441 330 L N 1.361 122.578 121.223 -0.011 0.000 2.012 330 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 330 L C 1.990 178.864 176.870 0.007 0.000 1.073 330 L CA 1.677 56.509 54.840 -0.014 0.000 0.748 330 L CB -0.316 41.723 42.059 -0.034 0.000 0.891 330 L HN 0.108 nan 8.230 nan 0.000 0.431 331 L N -0.689 120.542 121.223 0.014 0.000 2.093 331 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 331 L C 2.612 179.549 176.870 0.111 0.000 1.085 331 L CA 1.068 55.958 54.840 0.082 0.000 0.755 331 L CB -0.783 41.308 42.059 0.054 0.000 0.904 331 L HN 0.393 nan 8.230 nan 0.000 0.435 332 A N -0.313 122.529 122.820 0.036 0.000 2.014 332 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 332 A C 2.365 179.959 177.584 0.017 0.000 1.163 332 A CA 1.309 53.350 52.037 0.008 0.000 0.652 332 A CB -0.440 18.551 19.000 -0.016 0.000 0.808 332 A HN 0.366 nan 8.150 nan 0.000 0.449 333 A N -1.932 120.914 122.820 0.042 0.000 2.169 333 A HA 0.175 4.495 4.320 -0.000 0.000 0.212 333 A C 0.678 178.316 177.584 0.090 0.000 1.153 333 A CA -0.072 51.989 52.037 0.039 0.000 0.756 333 A CB -0.374 18.643 19.000 0.027 0.000 0.813 333 A HN 0.651 nan 8.150 nan 0.000 0.471 334 W N 2.418 123.649 121.300 -0.116 0.000 2.218 334 W HA 0.361 5.021 4.660 -0.000 0.000 0.326 334 W C 0.136 176.549 176.519 -0.177 0.000 1.276 334 W CA -0.629 56.627 57.345 -0.148 0.000 1.210 334 W CB 0.716 30.070 29.460 -0.176 0.000 1.143 334 W HN 0.381 nan 8.180 nan 0.000 0.563 335 D N 3.429 123.648 120.400 -0.301 0.000 2.349 335 D HA -0.088 4.552 4.640 -0.000 0.000 0.224 335 D C 0.612 176.383 176.300 -0.881 0.000 1.029 335 D CA 0.205 53.926 54.000 -0.464 0.000 0.879 335 D CB -0.235 40.403 40.800 -0.271 0.000 0.906 335 D HN 0.640 nan 8.370 nan 0.000 0.528 336 R N -0.821 118.568 120.500 -1.851 0.000 3.776 336 R HA -0.118 4.222 4.340 -0.000 0.000 0.312 336 R C -0.778 174.621 176.300 -1.501 0.000 1.181 336 R CA 0.803 55.559 56.100 -2.241 0.000 0.836 336 R CB -1.765 27.774 30.300 -1.267 0.000 1.324 336 R HN 0.326 nan 8.270 nan 0.000 0.501 337 E N 0.203 119.769 120.200 -1.057 0.000 2.195 337 E HA 0.215 4.564 4.350 -0.000 0.000 0.271 337 E C -0.244 176.133 176.600 -0.372 0.000 0.923 337 E CA -0.713 55.283 56.400 -0.673 0.000 0.790 337 E CB 0.618 29.994 29.700 -0.539 0.000 1.155 337 E HN 0.071 nan 8.360 nan 0.000 0.402 338 F N 1.840 121.671 119.950 -0.198 0.000 2.640 338 F HA 0.046 4.573 4.527 -0.000 0.000 0.354 338 F C 1.131 176.876 175.800 -0.091 0.000 1.213 338 F CA -0.393 57.447 58.000 -0.267 0.000 1.314 338 F CB -0.028 38.845 39.000 -0.212 0.000 1.679 338 F HN 0.128 nan 8.300 nan 0.000 0.622 339 T N -3.173 111.427 114.554 0.076 0.000 2.918 339 T HA 0.170 4.520 4.350 -0.000 0.000 0.283 339 T C 1.387 176.204 174.700 0.196 0.000 1.001 339 T CA -0.791 61.423 62.100 0.189 0.000 1.041 339 T CB 1.759 70.708 68.868 0.135 0.000 1.028 339 T HN 0.259 nan 8.240 nan 0.000 0.511 340 S N 1.549 117.386 115.700 0.229 0.000 2.380 340 S HA -0.180 4.290 4.470 -0.000 0.000 0.229 340 S C 1.622 176.303 174.600 0.135 0.000 1.043 340 S CA 1.856 60.173 58.200 0.195 0.000 1.038 340 S CB -0.598 62.668 63.200 0.111 0.000 0.872 340 S HN 1.006 nan 8.310 nan 0.000 0.456 341 D N 0.755 121.213 120.400 0.097 0.000 2.349 341 D HA 0.098 4.738 4.640 -0.000 0.000 0.224 341 D C 0.401 176.725 176.300 0.041 0.000 1.029 341 D CA 0.038 54.072 54.000 0.056 0.000 0.879 341 D CB -0.394 40.431 40.800 0.042 0.000 0.906 341 D HN 0.152 nan 8.370 nan 0.000 0.528 342 S N 0.160 115.893 115.700 0.055 0.000 2.488 342 S HA 0.141 4.611 4.470 -0.000 0.000 0.278 342 S C 1.038 175.577 174.600 -0.101 0.000 1.259 342 S CA -0.567 57.614 58.200 -0.031 0.000 1.061 342 S CB 0.464 63.621 63.200 -0.072 0.000 0.910 342 S HN 0.160 nan 8.310 nan 0.000 0.491 343 R N 3.397 123.808 120.500 -0.148 0.000 2.276 343 R HA 0.136 4.476 4.340 -0.000 0.000 0.196 343 R C 1.719 177.875 176.300 -0.240 0.000 0.961 343 R CA 0.808 56.821 56.100 -0.146 0.000 1.024 343 R CB 0.019 30.264 30.300 -0.091 0.000 0.940 343 R HN 0.659 nan 8.270 nan 0.000 0.480 344 A N 0.439 122.978 122.820 -0.469 0.000 2.197 344 A HA 0.281 4.601 4.320 -0.000 0.000 0.210 344 A C 2.066 179.155 177.584 -0.825 0.000 1.180 344 A CA 0.583 52.243 52.037 -0.628 0.000 0.846 344 A CB 0.139 18.704 19.000 -0.725 0.000 0.884 344 A HN 0.247 nan 8.150 nan 0.000 0.487 345 A N 0.450 122.752 122.820 -0.863 0.000 1.898 345 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 345 A C 2.060 179.679 177.584 0.058 0.000 1.181 345 A CA 1.422 53.133 52.037 -0.544 0.000 0.620 345 A CB -0.588 18.320 19.000 -0.154 0.000 0.819 345 A HN 0.448 nan 8.150 nan 0.000 0.442 346 L N -1.031 120.225 121.223 0.055 0.000 2.017 346 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 346 L C 2.578 179.513 176.870 0.108 0.000 1.073 346 L CA 1.373 56.225 54.840 0.021 0.000 0.745 346 L CB -0.656 41.181 42.059 -0.371 0.000 0.894 346 L HN 0.487 nan 8.230 nan 0.000 0.432 347 L N -0.450 120.802 121.223 0.047 0.000 2.043 347 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 347 L C 2.380 179.358 176.870 0.179 0.000 1.075 347 L CA 1.771 56.672 54.840 0.102 0.000 0.752 347 L CB -0.708 41.371 42.059 0.033 0.000 0.891 347 L HN 0.105 nan 8.230 nan 0.000 0.432 348 F N 0.678 120.653 119.950 0.043 0.000 2.102 348 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 348 F C 2.340 178.356 175.800 0.360 0.000 1.105 348 F CA 2.077 60.195 58.000 0.197 0.000 1.239 348 F CB -0.318 38.779 39.000 0.163 0.000 0.991 348 F HN 0.247 nan 8.300 nan 0.000 0.474 349 E N -0.196 120.210 120.200 0.342 0.000 2.070 349 E HA -0.242 4.107 4.350 -0.000 0.000 0.197 349 E C 2.099 178.856 176.600 0.261 0.000 1.004 349 E CA 1.495 58.076 56.400 0.301 0.000 0.805 349 E CB -0.238 29.713 29.700 0.418 0.000 0.744 349 E HN 0.418 nan 8.360 nan 0.000 0.451 350 E N 0.020 120.362 120.200 0.238 0.000 2.110 350 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 350 E C 1.624 178.305 176.600 0.135 0.000 0.988 350 E CA 0.746 57.259 56.400 0.188 0.000 0.804 350 E CB -0.392 29.424 29.700 0.193 0.000 0.745 350 E HN 0.439 nan 8.360 nan 0.000 0.458 351 W N 1.616 122.885 121.300 -0.051 0.000 2.388 351 W HA -0.105 4.554 4.660 -0.000 0.000 0.294 351 W C 2.258 178.730 176.519 -0.079 0.000 1.212 351 W CA 2.230 59.517 57.345 -0.097 0.000 1.271 351 W CB -0.235 29.121 29.460 -0.173 0.000 1.126 351 W HN 0.032 nan 8.180 nan 0.000 0.535 352 A N 0.548 123.261 122.820 -0.179 0.000 2.014 352 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 352 A C 1.995 179.601 177.584 0.037 0.000 1.163 352 A CA 1.238 53.163 52.037 -0.186 0.000 0.652 352 A CB -0.659 18.318 19.000 -0.038 0.000 0.808 352 A HN 0.357 nan 8.150 nan 0.000 0.449 353 R N -0.522 120.035 120.500 0.095 0.000 2.117 353 R HA -0.139 4.201 4.340 -0.000 0.000 0.243 353 R C 1.776 177.942 176.300 -0.222 0.000 1.143 353 R CA 1.762 57.767 56.100 -0.159 0.000 0.968 353 R CB -0.443 29.784 30.300 -0.122 0.000 0.863 353 R HN 0.556 nan 8.270 nan 0.000 0.444 354 L N -1.605 119.479 121.223 -0.232 0.000 2.202 354 L HA -0.004 4.336 4.340 -0.000 0.000 0.205 354 L C 2.118 178.794 176.870 -0.324 0.000 1.083 354 L CA 0.318 55.010 54.840 -0.246 0.000 0.790 354 L CB -0.342 41.599 42.059 -0.196 0.000 0.942 354 L HN 0.060 nan 8.230 nan 0.000 0.452 355 F N 1.280 120.810 119.950 -0.701 0.000 2.293 355 F HA -0.016 4.511 4.527 -0.000 0.000 0.300 355 F C 1.760 177.271 175.800 -0.482 0.000 1.086 355 F CA 1.036 58.569 58.000 -0.777 0.000 1.375 355 F CB 0.121 38.190 39.000 -1.551 0.000 1.045 355 F HN -0.026 nan 8.300 nan 0.000 0.516 356 A N -0.237 122.346 122.820 -0.395 0.000 2.624 356 A HA 0.585 4.905 4.320 -0.000 0.000 0.287 356 A C 0.810 178.275 177.584 -0.198 0.000 1.087 356 A CA 0.278 52.144 52.037 -0.285 0.000 0.964 356 A CB -0.848 18.150 19.000 -0.003 0.000 1.231 356 A HN 0.876 nan 8.150 nan 0.000 0.551 357 G N -0.464 108.188 108.800 -0.247 0.000 2.846 357 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.660 357 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.660 357 G C 0.327 174.997 174.900 -0.384 0.000 1.464 357 G CA -0.056 44.894 45.100 -0.250 0.000 0.891 357 G HN 0.196 nan 8.290 nan 0.000 0.552 358 Q N 0.519 120.100 119.800 -0.366 0.000 2.226 358 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 358 Q C 2.320 177.905 176.000 -0.692 0.000 0.975 358 Q CA 2.028 57.532 55.803 -0.498 0.000 0.866 358 Q CB -0.276 28.288 28.738 -0.290 0.000 0.915 358 Q HN 0.845 nan 8.270 nan 0.000 0.440 359 N N -0.232 118.199 118.700 -0.448 0.000 2.463 359 N HA -0.105 4.635 4.740 -0.000 0.000 0.181 359 N C 0.122 175.526 175.510 -0.176 0.000 1.078 359 N CA 0.104 52.978 53.050 -0.293 0.000 0.902 359 N CB -0.556 37.873 38.487 -0.097 0.000 0.970 359 N HN 0.209 nan 8.380 nan 0.000 0.451 360 F N -1.750 118.170 119.950 -0.051 0.000 3.034 360 F HA -0.289 4.237 4.527 -0.000 0.000 0.286 360 F C 1.206 177.043 175.800 0.062 0.000 0.804 360 F CA 0.372 58.373 58.000 0.002 0.000 1.161 360 F CB -1.740 37.282 39.000 0.037 0.000 1.317 360 F HN 0.316 nan 8.300 nan 0.000 0.453 361 A N 0.115 123.017 122.820 0.136 0.000 2.343 361 A HA 0.543 4.863 4.320 -0.000 0.000 0.223 361 A C 1.536 179.176 177.584 0.094 0.000 1.214 361 A CA 0.522 52.632 52.037 0.122 0.000 0.900 361 A CB -0.287 18.755 19.000 0.070 0.000 0.942 361 A HN 0.496 nan 8.150 nan 0.000 0.507 362 G N -0.373 108.450 108.800 0.037 0.000 2.340 362 G HA2 0.362 4.322 3.960 -0.000 0.000 0.245 362 G HA3 0.362 4.322 3.960 -0.000 0.000 0.245 362 G C 0.365 175.301 174.900 0.060 0.000 1.294 362 G CA -0.192 44.898 45.100 -0.018 0.000 0.896 362 G HN 0.251 nan 8.290 nan 0.000 0.522 363 Q N 1.716 121.576 119.800 0.099 0.000 2.319 363 Q HA 0.118 4.458 4.340 -0.000 0.000 0.209 363 Q C 2.350 178.465 176.000 0.192 0.000 0.884 363 Q CA 0.548 56.517 55.803 0.277 0.000 0.938 363 Q CB 0.782 29.648 28.738 0.213 0.000 1.098 363 Q HN 0.672 nan 8.270 nan 0.000 0.517 364 A N 0.674 123.479 122.820 -0.025 0.000 2.014 364 A HA 0.039 4.359 4.320 -0.000 0.000 0.218 364 A C 2.075 179.578 177.584 -0.134 0.000 1.163 364 A CA 1.392 53.397 52.037 -0.053 0.000 0.652 364 A CB -0.532 18.418 19.000 -0.084 0.000 0.808 364 A HN 0.366 nan 8.150 nan 0.000 0.449 365 G N -1.496 107.040 108.800 -0.440 0.000 2.744 365 G HA2 0.233 4.193 3.960 -0.000 0.000 0.211 365 G HA3 0.233 4.193 3.960 -0.000 0.000 0.211 365 G C 0.298 175.100 174.900 -0.164 0.000 1.143 365 G CA -0.216 44.537 45.100 -0.577 0.000 0.788 365 G HN 0.348 nan 8.290 nan 0.000 0.534 366 F N -0.357 119.646 119.950 0.088 0.000 2.375 366 F HA 0.503 5.030 4.527 -0.000 0.000 0.333 366 F C 1.486 177.380 175.800 0.157 0.000 1.104 366 F CA -0.387 57.744 58.000 0.219 0.000 1.149 366 F CB 1.755 40.878 39.000 0.205 0.000 1.190 366 F HN 0.028 nan 8.300 nan 0.000 0.533 367 A N 1.261 124.294 122.820 0.355 0.000 1.874 367 A HA 0.035 4.355 4.320 -0.000 0.000 0.214 367 A C 0.887 178.612 177.584 0.235 0.000 1.189 367 A CA 0.978 53.156 52.037 0.236 0.000 0.615 367 A CB -0.497 18.616 19.000 0.190 0.000 0.830 367 A HN 0.626 nan 8.150 nan 0.000 0.443 368 T N 2.520 117.240 114.554 0.276 0.000 2.758 368 T HA 0.511 4.861 4.350 -0.000 0.000 0.285 368 T C -2.740 172.087 174.700 0.211 0.000 0.981 368 T CA -1.221 61.016 62.100 0.229 0.000 0.965 368 T CB 1.929 70.952 68.868 0.260 0.000 0.927 368 T HN 0.220 nan 8.240 nan 0.000 0.448 369 P HA 0.196 nan 4.420 nan 0.000 0.278 369 P C -0.481 176.921 177.300 0.169 0.000 1.266 369 P CA -0.853 62.358 63.100 0.185 0.000 0.807 369 P CB 0.894 32.699 31.700 0.174 0.000 1.094 370 W N 1.487 122.802 121.300 0.026 0.000 2.193 370 W HA 0.270 4.930 4.660 -0.000 0.000 0.338 370 W C -0.039 176.520 176.519 0.067 0.000 1.310 370 W CA 1.285 58.651 57.345 0.035 0.000 1.243 370 W CB 0.358 29.848 29.460 0.050 0.000 1.165 370 W HN 0.285 nan 8.180 nan 0.000 0.566 371 S N 5.666 120.836 115.700 -0.884 0.000 2.575 371 S HA 0.207 4.676 4.470 -0.000 0.000 0.278 371 S C -0.015 173.804 174.600 -1.301 0.000 1.139 371 S CA -0.863 56.856 58.200 -0.801 0.000 0.954 371 S CB 1.103 64.087 63.200 -0.361 0.000 1.054 371 S HN 0.628 nan 8.310 nan 0.000 0.483 372 L N 3.821 124.428 121.223 -1.028 0.000 2.275 372 L HA 0.108 4.448 4.340 -0.000 0.000 0.215 372 L C 1.500 178.221 176.870 -0.248 0.000 1.119 372 L CA 1.947 56.440 54.840 -0.578 0.000 0.790 372 L CB -0.428 41.574 42.059 -0.096 0.000 0.919 372 L HN 0.740 nan 8.230 nan 0.000 0.443 373 D N 0.023 120.285 120.400 -0.230 0.000 2.219 373 D HA -0.105 4.535 4.640 -0.000 0.000 0.205 373 D C 0.684 176.943 176.300 -0.068 0.000 0.970 373 D CA 1.084 55.027 54.000 -0.095 0.000 0.851 373 D CB 0.112 40.861 40.800 -0.084 0.000 0.943 373 D HN 0.364 nan 8.370 nan 0.000 0.488 374 K N 0.765 121.054 120.400 -0.185 0.000 2.877 374 K HA 0.166 4.486 4.320 -0.000 0.000 0.176 374 K C -2.009 174.454 176.600 -0.229 0.000 1.075 374 K CA -1.067 55.134 56.287 -0.145 0.000 0.939 374 K CB 2.276 34.702 32.500 -0.124 0.000 1.237 374 K HN -0.067 nan 8.250 nan 0.000 0.607 375 P HA -0.097 nan 4.420 nan 0.000 0.229 375 P C 0.891 178.213 177.300 0.037 0.000 1.160 375 P CA 0.874 63.916 63.100 -0.096 0.000 0.777 375 P CB 0.195 31.873 31.700 -0.037 0.000 0.814 376 V N -3.247 116.592 119.914 -0.125 0.000 3.319 376 V HA 0.322 4.442 4.120 -0.000 0.000 0.317 376 V C 1.246 177.311 176.094 -0.048 0.000 1.411 376 V CA 0.674 62.918 62.300 -0.093 0.000 1.112 376 V CB -0.626 31.047 31.823 -0.251 0.000 1.031 376 V HN 0.154 nan 8.190 nan 0.000 0.448 377 S N -0.492 115.186 115.700 -0.036 0.000 2.780 377 S HA 0.309 4.779 4.470 -0.000 0.000 0.248 377 S C 0.638 175.251 174.600 0.022 0.000 1.036 377 S CA 0.412 58.599 58.200 -0.022 0.000 1.061 377 S CB 0.222 63.381 63.200 -0.069 0.000 1.037 377 S HN 0.846 nan 8.310 nan 0.000 0.584 378 T N 0.152 114.736 114.554 0.050 0.000 2.916 378 T HA 0.729 5.079 4.350 -0.000 0.000 0.292 378 T C -3.410 171.427 174.700 0.229 0.000 1.055 378 T CA -2.207 59.944 62.100 0.086 0.000 1.009 378 T CB 2.000 70.849 68.868 -0.032 0.000 1.118 378 T HN -0.034 nan 8.240 nan 0.000 0.497 379 P HA 0.355 nan 4.420 nan 0.000 0.276 379 P C -1.567 175.658 177.300 -0.124 0.000 1.261 379 P CA -0.385 62.631 63.100 -0.141 0.000 0.800 379 P CB 0.542 31.923 31.700 -0.532 0.000 1.066 380 Y N -0.978 119.309 120.300 -0.021 0.000 2.552 380 Y HA 0.486 5.036 4.550 -0.000 0.000 0.337 380 Y C -0.142 175.983 175.900 0.375 0.000 1.094 380 Y CA 0.608 58.820 58.100 0.185 0.000 1.028 380 Y CB 1.545 40.068 38.460 0.104 0.000 1.321 380 Y HN 1.001 nan 8.280 nan 0.000 0.456 381 G N 1.567 109.879 108.800 -0.815 0.000 2.746 381 G HA2 -0.008 3.951 3.960 -0.000 0.000 0.685 381 G HA3 -0.008 3.951 3.960 -0.000 0.000 0.685 381 G C -2.136 172.775 174.900 0.019 0.000 1.350 381 G CA -0.611 44.139 45.100 -0.584 0.000 0.837 381 G HN 1.088 nan 8.290 nan 0.000 0.564 382 V N 1.798 121.717 119.914 0.009 0.000 2.347 382 V HA 0.453 4.573 4.120 -0.000 0.000 0.280 382 V C 1.689 177.871 176.094 0.147 0.000 1.021 382 V CA 0.235 62.610 62.300 0.126 0.000 0.847 382 V CB 1.291 33.144 31.823 0.050 0.000 0.990 382 V HN 0.949 nan 8.190 nan 0.000 0.444 383 R N 2.481 123.095 120.500 0.190 0.000 2.066 383 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 383 R C 0.457 176.826 176.300 0.115 0.000 1.131 383 R CA 1.445 57.631 56.100 0.143 0.000 0.955 383 R CB 0.289 30.666 30.300 0.128 0.000 0.851 383 R HN 0.760 nan 8.270 nan 0.000 0.432 384 D N -0.830 119.647 120.400 0.128 0.000 2.412 384 D HA 0.194 4.834 4.640 -0.000 0.000 0.276 384 D C -2.104 174.265 176.300 0.115 0.000 1.196 384 D CA -2.260 51.802 54.000 0.103 0.000 0.905 384 D CB 1.581 42.433 40.800 0.087 0.000 1.081 384 D HN -0.042 nan 8.370 nan 0.000 0.502 385 P HA -0.117 nan 4.420 nan 0.000 0.216 385 P C 1.338 178.685 177.300 0.080 0.000 1.150 385 P CA 0.972 64.120 63.100 0.080 0.000 0.837 385 P CB 0.576 32.305 31.700 0.049 0.000 0.786 386 K N -0.501 119.941 120.400 0.069 0.000 2.026 386 K HA -0.094 4.226 4.320 -0.000 0.000 0.208 386 K C 2.106 178.752 176.600 0.077 0.000 1.048 386 K CA 1.492 57.816 56.287 0.061 0.000 0.929 386 K CB -0.630 31.899 32.500 0.048 0.000 0.713 386 K HN -0.023 nan 8.250 nan 0.000 0.439 387 A N 0.880 123.752 122.820 0.087 0.000 1.933 387 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 387 A C 2.257 179.930 177.584 0.147 0.000 1.175 387 A CA 1.862 53.955 52.037 0.094 0.000 0.628 387 A CB -0.700 18.346 19.000 0.077 0.000 0.814 387 A HN 0.409 nan 8.150 nan 0.000 0.444 388 A N -0.692 122.252 122.820 0.207 0.000 1.972 388 A HA 0.039 4.358 4.320 -0.000 0.000 0.219 388 A C 2.171 179.967 177.584 0.354 0.000 1.169 388 A CA 1.670 53.924 52.037 0.362 0.000 0.635 388 A CB -0.705 18.532 19.000 0.394 0.000 0.810 388 A HN 0.362 nan 8.150 nan 0.000 0.446 389 V N 0.342 120.364 119.914 0.180 0.000 2.453 389 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 389 V C 2.054 178.222 176.094 0.123 0.000 1.048 389 V CA 2.107 64.475 62.300 0.114 0.000 1.049 389 V CB -0.641 31.215 31.823 0.055 0.000 0.672 389 V HN 0.479 nan 8.190 nan 0.000 0.457 390 D N -0.261 120.207 120.400 0.114 0.000 2.144 390 D HA -0.168 4.472 4.640 -0.000 0.000 0.200 390 D C 2.328 178.695 176.300 0.112 0.000 0.978 390 D CA 1.105 55.158 54.000 0.090 0.000 0.833 390 D CB -0.164 40.675 40.800 0.065 0.000 0.961 390 D HN 0.516 nan 8.370 nan 0.000 0.470 391 Q N -0.151 119.741 119.800 0.155 0.000 2.124 391 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 391 Q C 2.151 178.313 176.000 0.271 0.000 0.977 391 Q CA 0.627 56.522 55.803 0.152 0.000 0.850 391 Q CB -0.085 28.706 28.738 0.087 0.000 0.901 391 Q HN 0.187 nan 8.270 nan 0.000 0.429 392 L N 0.791 122.243 121.223 0.381 0.000 2.141 392 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 392 L C 2.277 179.242 176.870 0.158 0.000 1.094 392 L CA 1.618 56.646 54.840 0.314 0.000 0.763 392 L CB -0.360 41.764 42.059 0.108 0.000 0.908 392 L HN 0.039 nan 8.230 nan 0.000 0.437 393 R N -1.165 119.404 120.500 0.115 0.000 2.073 393 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 393 R C 2.008 178.350 176.300 0.069 0.000 1.134 393 R CA 2.023 58.167 56.100 0.073 0.000 0.952 393 R CB -0.446 29.888 30.300 0.056 0.000 0.850 393 R HN 0.398 nan 8.270 nan 0.000 0.433 394 T N 0.767 115.364 114.554 0.072 0.000 2.684 394 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 394 T C 1.831 176.569 174.700 0.064 0.000 1.036 394 T CA 1.489 63.621 62.100 0.053 0.000 1.148 394 T CB -0.345 68.545 68.868 0.037 0.000 0.863 394 T HN 0.456 nan 8.240 nan 0.000 0.436 395 A N 0.735 123.616 122.820 0.102 0.000 1.972 395 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 395 A C 2.274 179.922 177.584 0.107 0.000 1.169 395 A CA 1.058 53.167 52.037 0.120 0.000 0.635 395 A CB -0.770 18.351 19.000 0.202 0.000 0.810 395 A HN 0.520 nan 8.150 nan 0.000 0.446 396 I N -0.332 120.294 120.570 0.093 0.000 2.142 396 I HA -0.296 3.874 4.170 -0.000 0.000 0.240 396 I C 2.999 179.150 176.117 0.056 0.000 1.078 396 I CA 1.150 62.492 61.300 0.069 0.000 1.343 396 I CB -0.301 37.730 38.000 0.052 0.000 1.046 396 I HN 0.356 nan 8.210 nan 0.000 0.405 397 A N 0.823 123.670 122.820 0.045 0.000 1.883 397 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 397 A C 2.043 179.643 177.584 0.026 0.000 1.186 397 A CA 2.241 54.295 52.037 0.030 0.000 0.624 397 A CB -0.795 18.217 19.000 0.021 0.000 0.822 397 A HN 0.426 nan 8.150 nan 0.000 0.444 398 N N -0.326 118.393 118.700 0.032 0.000 2.166 398 N HA -0.093 4.647 4.740 -0.000 0.000 0.186 398 N C 1.685 177.210 175.510 0.025 0.000 1.019 398 N CA 1.902 54.962 53.050 0.017 0.000 0.856 398 N CB -0.773 37.728 38.487 0.025 0.000 0.993 398 N HN 0.531 nan 8.380 nan 0.000 0.426 399 T N 0.875 115.481 114.554 0.086 0.000 2.857 399 T HA 0.010 4.360 4.350 -0.000 0.000 0.266 399 T C 1.801 176.581 174.700 0.134 0.000 1.048 399 T CA 0.862 63.065 62.100 0.173 0.000 1.139 399 T CB 0.087 69.065 68.868 0.184 0.000 0.874 399 T HN 0.254 nan 8.240 nan 0.000 0.455 400 K N 0.807 121.250 120.400 0.072 0.000 2.057 400 K HA -0.003 4.317 4.320 -0.000 0.000 0.206 400 K C 2.579 179.186 176.600 0.011 0.000 1.050 400 K CA 0.863 57.178 56.287 0.047 0.000 0.935 400 K CB -0.113 32.405 32.500 0.030 0.000 0.715 400 K HN 0.146 nan 8.250 nan 0.000 0.439 401 R N 1.548 122.039 120.500 -0.014 0.000 2.073 401 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 401 R C 1.999 178.236 176.300 -0.105 0.000 1.134 401 R CA 1.637 57.709 56.100 -0.047 0.000 0.952 401 R CB 0.097 30.369 30.300 -0.047 0.000 0.850 401 R HN 0.053 nan 8.270 nan 0.000 0.433 402 K N -1.137 119.149 120.400 -0.190 0.000 2.031 402 K HA -0.128 4.191 4.320 -0.000 0.000 0.205 402 K C 1.367 177.678 176.600 -0.482 0.000 1.049 402 K CA 1.539 57.558 56.287 -0.447 0.000 0.939 402 K CB 0.102 32.128 32.500 -0.790 0.000 0.717 402 K HN 0.307 nan 8.250 nan 0.000 0.438 403 Y N -1.763 118.526 120.300 -0.019 0.000 2.453 403 Y HA 0.221 4.771 4.550 -0.000 0.000 0.247 403 Y C 1.297 177.179 175.900 -0.031 0.000 1.124 403 Y CA 0.014 58.094 58.100 -0.034 0.000 1.243 403 Y CB 1.651 40.084 38.460 -0.045 0.000 1.213 403 Y HN 0.249 nan 8.280 nan 0.000 0.523 404 G N 0.482 109.334 108.800 0.086 0.000 2.234 404 G HA2 -0.045 3.914 3.960 -0.000 0.000 0.235 404 G HA3 -0.045 3.914 3.960 -0.000 0.000 0.235 404 G C 0.160 175.087 174.900 0.044 0.000 0.997 404 G CA -0.074 45.054 45.100 0.048 0.000 0.623 404 G HN 0.792 nan 8.290 nan 0.000 0.514 405 A N -1.094 121.765 122.820 0.064 0.000 2.586 405 A HA 0.732 5.052 4.320 -0.000 0.000 0.290 405 A C 0.636 178.250 177.584 0.050 0.000 1.086 405 A CA -0.012 52.049 52.037 0.040 0.000 0.665 405 A CB -0.042 18.970 19.000 0.019 0.000 1.279 405 A HN 1.390 nan 8.150 nan 0.000 0.423 406 I N -2.149 118.438 120.570 0.028 0.000 3.684 406 I HA 0.255 4.425 4.170 -0.000 0.000 0.304 406 I C 0.496 176.602 176.117 -0.017 0.000 1.278 406 I CA 0.998 62.310 61.300 0.021 0.000 1.272 406 I CB 0.077 38.086 38.000 0.016 0.000 1.029 406 I HN 0.433 nan 8.210 nan 0.000 0.458 407 D N 0.969 121.354 120.400 -0.026 0.000 2.760 407 D HA 0.086 4.726 4.640 -0.000 0.000 0.314 407 D C 0.317 176.584 176.300 -0.056 0.000 1.464 407 D CA -0.414 53.555 54.000 -0.052 0.000 0.797 407 D CB -0.188 40.587 40.800 -0.041 0.000 1.149 407 D HN 0.266 nan 8.370 nan 0.000 0.455 408 R N 1.317 121.780 120.500 -0.061 0.000 2.442 408 R HA 0.285 4.625 4.340 -0.000 0.000 0.291 408 R C -2.304 173.933 176.300 -0.105 0.000 1.069 408 R CA -1.094 54.962 56.100 -0.074 0.000 1.022 408 R CB 0.375 30.632 30.300 -0.071 0.000 0.976 408 R HN -0.100 nan 8.270 nan 0.000 0.443 409 P HA -0.091 nan 4.420 nan 0.000 0.264 409 P C -0.143 177.109 177.300 -0.079 0.000 1.193 409 P CA 0.213 63.280 63.100 -0.055 0.000 0.763 409 P CB 0.276 31.953 31.700 -0.038 0.000 0.810 410 F N 4.054 123.889 119.950 -0.192 0.000 2.065 410 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 410 F C 2.126 177.750 175.800 -0.293 0.000 1.112 410 F CA 2.573 60.424 58.000 -0.249 0.000 1.212 410 F CB -0.781 38.143 39.000 -0.127 0.000 0.975 410 F HN 0.393 nan 8.300 nan 0.000 0.476 411 G N -1.562 107.212 108.800 -0.045 0.000 2.848 411 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.208 411 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.208 411 G C 0.972 175.767 174.900 -0.175 0.000 1.152 411 G CA 0.761 45.776 45.100 -0.141 0.000 0.789 411 G HN 0.493 nan 8.290 nan 0.000 0.531 412 D N -0.093 120.202 120.400 -0.176 0.000 2.259 412 D HA 0.200 4.840 4.640 -0.000 0.000 0.216 412 D C 2.562 178.750 176.300 -0.187 0.000 0.961 412 D CA 0.915 54.831 54.000 -0.141 0.000 0.878 412 D CB 0.020 40.764 40.800 -0.093 0.000 1.009 412 D HN 0.113 nan 8.370 nan 0.000 0.490 413 A N -0.238 122.414 122.820 -0.280 0.000 1.898 413 A HA 0.123 4.443 4.320 -0.000 0.000 0.214 413 A C 1.247 178.563 177.584 -0.447 0.000 1.183 413 A CA 0.482 52.340 52.037 -0.298 0.000 0.622 413 A CB -0.116 18.655 19.000 -0.381 0.000 0.824 413 A HN 0.201 nan 8.150 nan 0.000 0.444 414 S N 1.898 117.130 115.700 -0.780 0.000 2.411 414 S HA 0.498 4.968 4.470 -0.000 0.000 0.304 414 S C -0.188 174.004 174.600 -0.680 0.000 1.098 414 S CA -0.554 56.925 58.200 -1.202 0.000 1.068 414 S CB 0.242 62.066 63.200 -2.293 0.000 1.032 414 S HN 0.378 nan 8.310 nan 0.000 0.511 415 R N 2.140 122.456 120.500 -0.307 0.000 2.854 415 R HA 0.558 4.898 4.340 -0.000 0.000 0.271 415 R C -0.640 175.731 176.300 0.119 0.000 0.996 415 R CA -0.726 55.331 56.100 -0.071 0.000 0.961 415 R CB 1.121 31.395 30.300 -0.044 0.000 1.182 415 R HN 0.524 nan 8.270 nan 0.000 0.479 416 M N 2.841 122.500 119.600 0.098 0.000 2.078 416 M HA 0.506 4.986 4.480 -0.000 0.000 0.320 416 M C -0.608 175.767 176.300 0.126 0.000 0.969 416 M CA -0.303 55.084 55.300 0.145 0.000 0.929 416 M CB 1.322 34.002 32.600 0.133 0.000 1.504 416 M HN 0.332 nan 8.290 nan 0.000 0.419 417 I N 5.284 125.946 120.570 0.153 0.000 2.439 417 I HA 0.517 4.687 4.170 -0.000 0.000 0.285 417 I C -1.087 175.131 176.117 0.169 0.000 1.021 417 I CA -0.480 60.897 61.300 0.128 0.000 1.091 417 I CB 1.648 39.712 38.000 0.105 0.000 1.242 417 I HN 0.615 nan 8.210 nan 0.000 0.439 418 L N 6.586 127.892 121.223 0.139 0.000 2.409 418 L HA 0.571 4.911 4.340 -0.000 0.000 0.272 418 L C 0.210 177.198 176.870 0.196 0.000 0.980 418 L CA -0.636 54.316 54.840 0.186 0.000 0.826 418 L CB 1.585 43.633 42.059 -0.018 0.000 1.268 418 L HN 0.636 nan 8.230 nan 0.000 0.407 419 N N 2.246 121.097 118.700 0.253 0.000 1.347 419 N HA -0.299 4.440 4.740 -0.000 0.000 0.141 419 N C 0.550 176.123 175.510 0.106 0.000 0.677 419 N CA 2.167 55.316 53.050 0.164 0.000 1.016 419 N CB -0.640 37.949 38.487 0.170 0.000 1.268 419 N HN 1.006 nan 8.380 nan 0.000 0.487 420 D N 0.874 121.323 120.400 0.081 0.000 2.398 420 D HA 0.188 4.828 4.640 -0.000 0.000 0.210 420 D C 0.150 176.479 176.300 0.048 0.000 1.094 420 D CA 0.055 54.089 54.000 0.056 0.000 0.839 420 D CB -0.229 40.596 40.800 0.042 0.000 0.963 420 D HN 0.254 nan 8.370 nan 0.000 0.506 421 V N 1.642 121.588 119.914 0.054 0.000 2.530 421 V HA 0.277 4.397 4.120 -0.000 0.000 0.282 421 V C 0.088 176.209 176.094 0.045 0.000 1.048 421 V CA -0.539 61.785 62.300 0.040 0.000 0.997 421 V CB 1.050 32.892 31.823 0.031 0.000 0.987 421 V HN 0.205 nan 8.190 nan 0.000 0.477 422 N N 4.017 122.736 118.700 0.033 0.000 2.558 422 N HA 0.462 5.202 4.740 -0.000 0.000 0.285 422 N C -1.142 174.378 175.510 0.017 0.000 1.112 422 N CA -0.198 52.870 53.050 0.031 0.000 0.857 422 N CB 1.987 40.489 38.487 0.025 0.000 1.376 422 N HN 0.535 nan 8.380 nan 0.000 0.526 423 V N 1.339 121.263 119.914 0.016 0.000 3.001 423 V HA 0.810 4.930 4.120 -0.000 0.000 0.314 423 V C -2.573 173.515 176.094 -0.010 0.000 1.099 423 V CA -2.241 60.061 62.300 0.003 0.000 0.989 423 V CB 1.935 33.760 31.823 0.003 0.000 1.040 423 V HN 0.375 nan 8.190 nan 0.000 0.434 424 P HA 0.301 nan 4.420 nan 0.000 0.271 424 P C 0.169 177.452 177.300 -0.029 0.000 1.216 424 P CA 0.600 63.679 63.100 -0.035 0.000 0.771 424 P CB 1.036 32.727 31.700 -0.015 0.000 0.864 425 G N 1.556 110.316 108.800 -0.066 0.000 2.477 425 G HA2 0.626 4.585 3.960 -0.000 0.000 0.304 425 G HA3 0.626 4.585 3.960 -0.000 0.000 0.304 425 G C -1.012 173.966 174.900 0.130 0.000 1.175 425 G CA -0.397 44.703 45.100 -0.001 0.000 0.907 425 G HN 0.724 nan 8.290 nan 0.000 0.509 426 A N -0.963 122.011 122.820 0.257 0.000 2.610 426 A HA 1.000 5.320 4.320 -0.000 0.000 0.291 426 A C 0.199 178.095 177.584 0.521 0.000 1.086 426 A CA 0.426 52.717 52.037 0.424 0.000 0.677 426 A CB 0.755 19.904 19.000 0.247 0.000 1.278 426 A HN 2.830 nan 8.150 nan 0.000 0.414 427 A N -1.498 121.659 122.820 0.562 0.000 6.702 427 A HA 0.453 4.773 4.320 -0.000 0.000 0.279 427 A C 1.201 179.089 177.584 0.506 0.000 2.141 427 A CA 1.481 53.835 52.037 0.527 0.000 0.658 427 A CB -1.857 17.418 19.000 0.457 0.000 1.332 427 A HN 3.160 nan 8.150 nan 0.000 0.388 428 G N -2.139 106.748 108.800 0.145 0.000 2.818 428 G HA2 0.567 4.527 3.960 -0.000 0.000 0.109 428 G HA3 0.567 4.527 3.960 -0.000 0.000 0.109 428 G C -0.690 174.019 174.900 -0.318 0.000 1.206 428 G CA 0.050 45.102 45.100 -0.080 0.000 1.243 428 G HN 1.452 nan 8.290 nan 0.000 0.609 429 Y N 2.195 122.389 120.300 -0.177 0.000 2.496 429 Y HA 0.355 4.905 4.550 -0.000 0.000 0.334 429 Y C 1.837 177.688 175.900 -0.082 0.000 1.080 429 Y CA 0.616 58.644 58.100 -0.119 0.000 1.355 429 Y CB 1.505 39.911 38.460 -0.090 0.000 1.193 429 Y HN 0.559 nan 8.280 nan 0.000 0.523 430 G N 2.642 111.475 108.800 0.055 0.000 2.440 430 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.218 430 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.218 430 G C 1.408 176.400 174.900 0.153 0.000 1.154 430 G CA 0.884 46.019 45.100 0.059 0.000 0.767 430 G HN 0.567 nan 8.290 nan 0.000 0.552 431 N N 0.196 119.016 118.700 0.201 0.000 2.512 431 N HA 0.044 4.784 4.740 -0.000 0.000 0.183 431 N C 1.864 177.509 175.510 0.225 0.000 1.073 431 N CA 0.312 53.501 53.050 0.231 0.000 0.911 431 N CB -0.040 38.632 38.487 0.308 0.000 0.964 431 N HN 0.323 nan 8.380 nan 0.000 0.447 432 L N -1.348 119.974 121.223 0.165 0.000 2.592 432 L HA 0.226 4.565 4.340 -0.000 0.000 0.227 432 L C 1.226 178.295 176.870 0.331 0.000 1.127 432 L CA 0.292 55.281 54.840 0.248 0.000 0.884 432 L CB 0.056 42.268 42.059 0.255 0.000 1.065 432 L HN 0.211 nan 8.230 nan 0.000 0.457 433 G N -0.726 108.240 108.800 0.276 0.000 2.192 433 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.193 433 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.193 433 G C 0.371 175.435 174.900 0.273 0.000 0.999 433 G CA 0.118 45.368 45.100 0.250 0.000 0.659 433 G HN 0.208 nan 8.290 nan 0.000 0.503 434 S N 0.164 116.048 115.700 0.307 0.000 2.488 434 S HA 0.486 4.956 4.470 -0.000 0.000 0.278 434 S C 1.149 175.873 174.600 0.206 0.000 1.259 434 S CA 0.176 58.557 58.200 0.303 0.000 1.061 434 S CB 0.207 63.560 63.200 0.256 0.000 0.910 434 S HN 0.608 nan 8.310 nan 0.000 0.491 435 F N 5.650 125.664 119.950 0.106 0.000 2.098 435 F HA 0.204 4.731 4.527 -0.000 0.000 0.294 435 F C 1.484 177.271 175.800 -0.022 0.000 1.107 435 F CA 0.976 59.003 58.000 0.046 0.000 1.234 435 F CB -0.084 38.949 39.000 0.054 0.000 1.002 435 F HN 0.519 nan 8.300 nan 0.000 0.472 436 R N 1.419 121.936 120.500 0.028 0.000 2.421 436 R HA 0.293 4.633 4.340 -0.000 0.000 0.305 436 R C -1.471 174.656 176.300 -0.288 0.000 1.039 436 R CA -0.073 55.932 56.100 -0.158 0.000 1.003 436 R CB 0.364 30.664 30.300 -0.001 0.000 0.959 436 R HN 0.038 nan 8.270 nan 0.000 0.427 437 V N 6.611 126.125 119.914 -0.666 0.000 2.417 437 V HA 0.431 4.551 4.120 -0.000 0.000 0.291 437 V C -0.816 174.578 176.094 -1.167 0.000 1.024 437 V CA -0.497 61.315 62.300 -0.813 0.000 0.861 437 V CB 1.448 32.602 31.823 -1.116 0.000 0.985 437 V HN 0.589 nan 8.190 nan 0.000 0.436 438 F N 1.606 121.146 119.950 -0.683 0.000 2.499 438 F HA 0.383 4.910 4.527 -0.000 0.000 0.333 438 F C 0.650 175.671 175.800 -1.299 0.000 1.138 438 F CA -0.543 56.823 58.000 -1.056 0.000 0.945 438 F CB 2.100 40.265 39.000 -1.392 0.000 1.181 438 F HN 0.293 nan 8.300 nan 0.000 0.435 439 T N 3.044 117.058 114.554 -0.900 0.000 3.176 439 T HA 0.081 4.431 4.350 -0.000 0.000 0.301 439 T C -0.356 174.005 174.700 -0.565 0.000 1.115 439 T CA -0.419 61.276 62.100 -0.675 0.000 1.027 439 T CB -0.560 68.087 68.868 -0.368 0.000 1.063 439 T HN 0.318 nan 8.240 nan 0.000 0.669 440 W N 3.079 124.089 121.300 -0.484 0.000 2.223 440 W HA 0.222 4.882 4.660 -0.000 0.000 0.334 440 W C 1.306 177.837 176.519 0.019 0.000 1.334 440 W CA -0.707 56.504 57.345 -0.224 0.000 1.246 440 W CB 0.153 29.474 29.460 -0.232 0.000 1.184 440 W HN 0.530 nan 8.180 nan 0.000 0.563 441 S N 1.734 117.568 115.700 0.224 0.000 2.589 441 S HA 0.038 4.508 4.470 -0.000 0.000 0.265 441 S C 0.037 174.761 174.600 0.206 0.000 1.342 441 S CA -0.911 57.393 58.200 0.174 0.000 1.005 441 S CB 0.579 63.844 63.200 0.108 0.000 0.909 441 S HN 0.420 nan 8.310 nan 0.000 0.555 442 D N 2.875 123.357 120.400 0.136 0.000 2.506 442 D HA 0.223 4.863 4.640 -0.000 0.000 0.234 442 D C -1.947 174.387 176.300 0.057 0.000 1.143 442 D CA -0.746 53.304 54.000 0.084 0.000 0.871 442 D CB 0.046 40.866 40.800 0.033 0.000 1.190 442 D HN 0.440 nan 8.370 nan 0.000 0.459 443 P HA 0.056 nan 4.420 nan 0.000 0.275 443 P C -0.203 177.076 177.300 -0.035 0.000 1.228 443 P CA -0.482 62.604 63.100 -0.023 0.000 0.786 443 P CB 0.699 32.295 31.700 -0.173 0.000 0.927 444 D N 1.768 122.162 120.400 -0.010 0.000 2.356 444 D HA -0.077 4.563 4.640 -0.000 0.000 0.258 444 D C 1.270 177.551 176.300 -0.031 0.000 1.279 444 D CA -0.068 53.925 54.000 -0.013 0.000 1.016 444 D CB 0.059 40.862 40.800 0.004 0.000 1.107 444 D HN 0.386 nan 8.370 nan 0.000 0.544 445 E N -0.327 119.860 120.200 -0.022 0.000 2.204 445 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 445 E C 0.474 177.060 176.600 -0.024 0.000 0.989 445 E CA 0.797 57.182 56.400 -0.026 0.000 0.824 445 E CB -0.656 29.034 29.700 -0.017 0.000 0.756 445 E HN 0.407 nan 8.360 nan 0.000 0.477 446 N N 0.731 119.423 118.700 -0.014 0.000 2.314 446 N HA 0.108 4.848 4.740 -0.000 0.000 0.200 446 N C 0.796 176.309 175.510 0.005 0.000 1.135 446 N CA 0.802 53.849 53.050 -0.005 0.000 0.835 446 N CB 0.839 39.326 38.487 -0.001 0.000 0.989 446 N HN 0.420 nan 8.380 nan 0.000 0.478 447 G N 0.127 108.924 108.800 -0.005 0.000 2.153 447 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 447 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 447 G C -0.079 174.879 174.900 0.097 0.000 0.994 447 G CA 0.249 45.373 45.100 0.041 0.000 0.698 447 G HN 0.201 nan 8.290 nan 0.000 0.521 448 V N 1.372 121.305 119.914 0.031 0.000 2.509 448 V HA 0.753 4.872 4.120 -0.000 0.000 0.284 448 V C 0.730 176.836 176.094 0.020 0.000 1.047 448 V CA -0.011 62.292 62.300 0.004 0.000 0.952 448 V CB 1.373 33.192 31.823 -0.007 0.000 0.988 448 V HN 0.727 nan 8.190 nan 0.000 0.469 449 R N 2.129 122.628 120.500 -0.002 0.000 2.771 449 R HA 0.885 5.225 4.340 -0.000 0.000 0.274 449 R C -0.864 175.512 176.300 0.128 0.000 0.987 449 R CA -0.687 55.453 56.100 0.067 0.000 0.908 449 R CB 2.226 32.593 30.300 0.111 0.000 1.213 449 R HN 0.654 nan 8.270 nan 0.000 0.468 450 T N -1.950 112.733 114.554 0.214 0.000 2.887 450 T HA 0.543 4.893 4.350 -0.000 0.000 0.292 450 T C -2.911 171.814 174.700 0.041 0.000 1.087 450 T CA -2.541 59.700 62.100 0.233 0.000 1.009 450 T CB 2.003 70.939 68.868 0.113 0.000 1.203 450 T HN 0.360 nan 8.240 nan 0.000 0.518 451 P HA 0.186 nan 4.420 nan 0.000 0.271 451 P C 1.060 177.961 177.300 -0.665 0.000 1.226 451 P CA -0.459 62.113 63.100 -0.879 0.000 0.765 451 P CB 0.741 31.459 31.700 -1.636 0.000 0.835 452 V N 1.539 121.210 119.914 -0.407 0.000 3.354 452 V HA 0.173 4.293 4.120 -0.000 0.000 0.258 452 V C 0.375 176.399 176.094 -0.117 0.000 1.159 452 V CA 0.851 63.053 62.300 -0.165 0.000 1.125 452 V CB -0.975 30.845 31.823 -0.006 0.000 0.774 452 V HN 0.651 nan 8.190 nan 0.000 0.464 453 H N -2.067 116.721 119.070 -0.471 0.000 3.121 453 H HA 0.570 5.126 4.556 -0.000 0.000 0.337 453 H C -0.211 174.905 175.328 -0.352 0.000 1.198 453 H CA -0.255 55.663 56.048 -0.215 0.000 1.274 453 H CB 1.550 31.265 29.762 -0.078 0.000 1.954 453 H HN 0.453 nan 8.280 nan 0.000 0.531 454 G N 2.650 111.607 108.800 0.261 0.000 2.384 454 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.150 454 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.150 454 G C -1.196 173.743 174.900 0.065 0.000 1.269 454 G CA -0.692 44.281 45.100 -0.210 0.000 1.094 454 G HN 0.549 nan 8.290 nan 0.000 0.467 455 E N 1.657 121.674 120.200 -0.304 0.000 2.652 455 E HA 0.262 4.612 4.350 -0.000 0.000 0.255 455 E C 1.076 177.683 176.600 0.012 0.000 0.952 455 E CA 1.209 57.517 56.400 -0.153 0.000 0.947 455 E CB 1.036 30.489 29.700 -0.411 0.000 0.912 455 E HN 0.809 nan 8.360 nan 0.000 0.489 456 T N -0.468 114.019 114.554 -0.113 0.000 3.216 456 T HA 0.069 4.419 4.350 -0.000 0.000 0.167 456 T C 0.326 174.862 174.700 -0.273 0.000 0.905 456 T CA -0.660 61.225 62.100 -0.359 0.000 1.042 456 T CB -0.052 68.742 68.868 -0.124 0.000 1.787 456 T HN 0.587 nan 8.240 nan 0.000 0.355 457 W N 3.337 124.380 121.300 -0.428 0.000 2.311 457 W HA 0.563 5.222 4.660 -0.000 0.000 0.310 457 W C -1.806 174.515 176.519 -0.330 0.000 1.274 457 W CA -0.628 56.481 57.345 -0.393 0.000 1.215 457 W CB 0.829 29.952 29.460 -0.562 0.000 1.227 457 W HN 0.275 nan 8.180 nan 0.000 0.523 458 V N 6.216 125.645 119.914 -0.808 0.000 2.525 458 V HA 0.719 4.838 4.120 -0.000 0.000 0.299 458 V C -0.156 175.397 176.094 -0.901 0.000 1.034 458 V CA -0.760 61.145 62.300 -0.657 0.000 0.863 458 V CB 0.811 32.530 31.823 -0.174 0.000 0.999 458 V HN 0.659 nan 8.190 nan 0.000 0.423 459 A N 5.486 127.820 122.820 -0.809 0.000 2.515 459 A HA 1.012 5.332 4.320 -0.000 0.000 0.298 459 A C -1.183 176.221 177.584 -0.300 0.000 1.059 459 A CA -0.632 51.059 52.037 -0.577 0.000 0.698 459 A CB 2.045 20.695 19.000 -0.584 0.000 1.289 459 A HN 0.750 nan 8.150 nan 0.000 0.404 460 M N 1.525 120.985 119.600 -0.233 0.000 2.263 460 M HA 0.604 5.084 4.480 -0.000 0.000 0.295 460 M C -1.369 174.821 176.300 -0.184 0.000 1.028 460 M CA 0.149 55.415 55.300 -0.057 0.000 0.921 460 M CB 2.026 34.650 32.600 0.039 0.000 1.601 460 M HN 0.530 nan 8.290 nan 0.000 0.440 461 I N 1.472 121.878 120.570 -0.274 0.000 2.498 461 I HA 0.411 4.581 4.170 -0.000 0.000 0.290 461 I C -0.580 175.207 176.117 -0.551 0.000 1.032 461 I CA -0.427 60.516 61.300 -0.595 0.000 1.073 461 I CB 2.138 39.534 38.000 -1.006 0.000 1.251 461 I HN 0.614 nan 8.210 nan 0.000 0.426 462 E N 5.288 125.176 120.200 -0.521 0.000 2.151 462 E HA 0.375 4.725 4.350 -0.000 0.000 0.275 462 E C -1.058 175.265 176.600 -0.462 0.000 0.936 462 E CA -0.568 55.598 56.400 -0.391 0.000 0.777 462 E CB 0.845 30.410 29.700 -0.225 0.000 1.108 462 E HN 0.479 nan 8.360 nan 0.000 0.401 463 F N 3.678 123.555 119.950 -0.122 0.000 2.833 463 F HA 0.089 4.616 4.527 -0.000 0.000 0.327 463 F C 0.944 176.709 175.800 -0.058 0.000 1.184 463 F CA -0.381 57.571 58.000 -0.081 0.000 1.328 463 F CB -0.048 38.900 39.000 -0.087 0.000 1.440 463 F HN 0.290 nan 8.300 nan 0.000 0.569 464 S N -1.242 114.459 115.700 0.001 0.000 2.625 464 S HA 0.454 4.924 4.470 -0.000 0.000 0.262 464 S C 0.225 174.842 174.600 0.028 0.000 1.223 464 S CA -0.677 57.526 58.200 0.005 0.000 0.993 464 S CB 0.949 64.129 63.200 -0.034 0.000 1.051 464 S HN 0.151 nan 8.310 nan 0.000 0.562 465 T N 2.654 117.219 114.554 0.019 0.000 2.930 465 T HA 0.507 4.857 4.350 -0.000 0.000 0.313 465 T C -2.202 172.505 174.700 0.013 0.000 1.019 465 T CA -0.824 61.292 62.100 0.027 0.000 1.004 465 T CB 0.918 69.806 68.868 0.034 0.000 0.987 465 T HN 0.673 nan 8.240 nan 0.000 0.456 466 P HA 0.413 nan 4.420 nan 0.000 0.274 466 P C 0.123 177.416 177.300 -0.013 0.000 1.256 466 P CA -0.614 62.492 63.100 0.011 0.000 0.795 466 P CB 0.462 32.163 31.700 0.002 0.000 1.038 467 V N -1.540 118.365 119.914 -0.015 0.000 3.096 467 V HA 0.349 4.469 4.120 -0.000 0.000 0.306 467 V C 0.339 176.348 176.094 -0.142 0.000 1.088 467 V CA -0.457 61.781 62.300 -0.103 0.000 1.129 467 V CB 0.117 31.851 31.823 -0.147 0.000 1.014 467 V HN 0.567 nan 8.190 nan 0.000 0.486 468 R N 1.948 122.319 120.500 -0.214 0.000 2.513 468 R HA 0.772 5.112 4.340 -0.000 0.000 0.301 468 R C -0.785 175.328 176.300 -0.310 0.000 0.968 468 R CA -0.105 55.866 56.100 -0.215 0.000 0.872 468 R CB 1.836 32.073 30.300 -0.105 0.000 1.177 468 R HN 1.194 nan 8.270 nan 0.000 0.444 469 A N 3.409 125.985 122.820 -0.407 0.000 2.515 469 A HA 0.673 4.993 4.320 -0.000 0.000 0.298 469 A C -1.977 175.282 177.584 -0.542 0.000 1.059 469 A CA -0.517 51.260 52.037 -0.433 0.000 0.698 469 A CB 1.300 19.969 19.000 -0.552 0.000 1.289 469 A HN 0.664 nan 8.150 nan 0.000 0.404 470 Y N -0.228 119.956 120.300 -0.194 0.000 2.477 470 Y HA 0.686 5.236 4.550 -0.000 0.000 0.347 470 Y C 0.672 176.519 175.900 -0.089 0.000 0.981 470 Y CA 0.090 58.131 58.100 -0.098 0.000 1.033 470 Y CB 3.008 41.395 38.460 -0.121 0.000 1.245 470 Y HN 1.129 nan 8.280 nan 0.000 0.455 471 G N 2.066 110.985 108.800 0.198 0.000 2.660 471 G HA2 0.776 4.736 3.960 -0.000 0.000 0.290 471 G HA3 0.776 4.736 3.960 -0.000 0.000 0.290 471 G C -2.265 172.707 174.900 0.120 0.000 1.432 471 G CA -0.840 44.283 45.100 0.039 0.000 0.807 471 G HN 0.525 nan 8.290 nan 0.000 0.485 472 L N -0.336 120.829 121.223 -0.096 0.000 2.518 472 L HA 0.656 4.996 4.340 -0.000 0.000 0.257 472 L C -1.147 175.687 176.870 -0.061 0.000 0.980 472 L CA -0.852 53.919 54.840 -0.115 0.000 0.837 472 L CB 2.729 44.556 42.059 -0.387 0.000 1.410 472 L HN 0.589 nan 8.230 nan 0.000 0.410 473 M N 0.460 120.062 119.600 0.003 0.000 2.085 473 M HA 0.365 4.845 4.480 -0.000 0.000 0.309 473 M C 0.443 176.563 176.300 -0.301 0.000 0.947 473 M CA 0.101 55.365 55.300 -0.060 0.000 0.918 473 M CB 1.784 34.449 32.600 0.108 0.000 1.504 473 M HN 0.537 nan 8.290 nan 0.000 0.420 474 S N 3.235 118.591 115.700 -0.572 0.000 2.359 474 S HA -0.163 4.307 4.470 -0.000 0.000 0.223 474 S C 0.750 174.956 174.600 -0.656 0.000 1.039 474 S CA 1.990 59.797 58.200 -0.655 0.000 1.042 474 S CB -0.477 62.121 63.200 -1.002 0.000 0.915 474 S HN 0.812 nan 8.310 nan 0.000 0.439 475 Y N 1.253 121.202 120.300 -0.585 0.000 2.596 475 Y HA 0.583 5.133 4.550 -0.000 0.000 0.316 475 Y C 1.029 176.720 175.900 -0.349 0.000 1.156 475 Y CA -1.211 56.537 58.100 -0.586 0.000 1.300 475 Y CB -1.291 36.858 38.460 -0.518 0.000 1.130 475 Y HN 0.227 nan 8.280 nan 0.000 0.518 476 G N 1.481 110.263 108.800 -0.030 0.000 2.806 476 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.236 476 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.236 476 G C 0.165 175.204 174.900 0.232 0.000 1.387 476 G CA 0.183 45.341 45.100 0.097 0.000 0.884 476 G HN 0.449 nan 8.290 nan 0.000 0.560 477 N N -0.349 118.481 118.700 0.215 0.000 2.280 477 N HA 0.376 5.116 4.740 -0.000 0.000 0.192 477 N C 0.258 175.967 175.510 0.333 0.000 1.109 477 N CA 1.183 54.375 53.050 0.237 0.000 0.855 477 N CB 0.320 38.854 38.487 0.078 0.000 0.974 477 N HN 0.840 nan 8.380 nan 0.000 0.482 478 S N -1.047 114.832 115.700 0.299 0.000 2.537 478 S HA 0.459 4.929 4.470 -0.000 0.000 0.270 478 S C -0.351 174.374 174.600 0.208 0.000 1.142 478 S CA -0.670 57.663 58.200 0.223 0.000 0.870 478 S CB 1.217 64.547 63.200 0.217 0.000 1.112 478 S HN 0.166 nan 8.310 nan 0.000 0.466 479 R N 1.210 121.746 120.500 0.059 0.000 2.572 479 R HA 0.262 4.602 4.340 -0.000 0.000 0.370 479 R C -0.321 175.904 176.300 -0.124 0.000 1.005 479 R CA -0.237 55.819 56.100 -0.073 0.000 1.146 479 R CB 0.400 30.635 30.300 -0.108 0.000 1.390 479 R HN 0.580 nan 8.270 nan 0.000 0.553 480 Q N 1.466 121.228 119.800 -0.063 0.000 2.314 480 Q HA 0.193 4.533 4.340 -0.000 0.000 0.258 480 Q C -2.329 173.628 176.000 -0.071 0.000 0.954 480 Q CA -1.872 53.891 55.803 -0.067 0.000 0.890 480 Q CB 0.994 29.708 28.738 -0.040 0.000 1.210 480 Q HN 0.016 nan 8.270 nan 0.000 0.410 481 P HA -0.053 nan 4.420 nan 0.000 0.261 481 P C 0.649 177.921 177.300 -0.047 0.000 1.173 481 P CA 1.120 64.175 63.100 -0.076 0.000 0.760 481 P CB 0.336 31.997 31.700 -0.064 0.000 0.783 482 G N 1.449 110.223 108.800 -0.044 0.000 2.225 482 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.254 482 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.254 482 G C 0.571 175.463 174.900 -0.013 0.000 0.988 482 G CA 0.298 45.384 45.100 -0.024 0.000 0.625 482 G HN 0.808 nan 8.290 nan 0.000 0.527 483 T N 1.014 115.566 114.554 -0.003 0.000 2.932 483 T HA 0.410 4.760 4.350 -0.000 0.000 0.312 483 T C 2.033 176.727 174.700 -0.010 0.000 1.071 483 T CA 1.616 63.726 62.100 0.017 0.000 1.128 483 T CB 0.677 69.594 68.868 0.081 0.000 0.984 483 T HN 0.976 nan 8.240 nan 0.000 0.549 484 T N 1.202 115.674 114.554 -0.137 0.000 3.148 484 T HA 0.090 4.440 4.350 -0.000 0.000 0.253 484 T C 0.806 175.364 174.700 -0.238 0.000 1.134 484 T CA 0.610 62.574 62.100 -0.227 0.000 1.051 484 T CB -0.410 68.230 68.868 -0.381 0.000 0.959 484 T HN 0.836 nan 8.240 nan 0.000 0.525 485 H N -0.725 118.415 119.070 0.116 0.000 2.472 485 H HA 0.365 4.921 4.556 -0.000 0.000 0.287 485 H C 0.371 175.806 175.328 0.180 0.000 1.112 485 H CA -0.569 55.552 56.048 0.121 0.000 1.021 485 H CB 0.218 30.046 29.762 0.110 0.000 1.635 485 H HN 0.335 nan 8.280 nan 0.000 0.559 486 Y N 0.646 121.015 120.300 0.115 0.000 2.472 486 Y HA 0.022 4.572 4.550 -0.000 0.000 0.288 486 Y C 2.013 177.964 175.900 0.084 0.000 1.154 486 Y CA 0.997 59.156 58.100 0.098 0.000 1.238 486 Y CB 0.426 38.923 38.460 0.062 0.000 1.287 486 Y HN 0.160 nan 8.280 nan 0.000 0.524 487 S N -0.428 115.291 115.700 0.032 0.000 2.577 487 S HA 0.028 4.498 4.470 -0.000 0.000 0.219 487 S C 0.751 175.339 174.600 -0.021 0.000 0.962 487 S CA 0.234 58.398 58.200 -0.060 0.000 0.921 487 S CB -0.382 62.853 63.200 0.059 0.000 0.789 487 S HN 0.608 nan 8.310 nan 0.000 0.497 488 D N 1.027 121.438 120.400 0.017 0.000 2.319 488 D HA 0.024 4.664 4.640 -0.000 0.000 0.230 488 D C 1.092 177.404 176.300 0.020 0.000 1.094 488 D CA 0.148 54.169 54.000 0.034 0.000 0.856 488 D CB -0.122 40.724 40.800 0.077 0.000 0.915 488 D HN 0.527 nan 8.370 nan 0.000 0.517 489 Q N -0.903 118.883 119.800 -0.023 0.000 2.210 489 Q HA 0.194 4.534 4.340 -0.000 0.000 0.252 489 Q C 1.402 177.352 176.000 -0.083 0.000 0.811 489 Q CA -0.310 55.464 55.803 -0.048 0.000 0.953 489 Q CB 0.564 29.269 28.738 -0.054 0.000 1.136 489 Q HN 0.087 nan 8.270 nan 0.000 0.491 490 I N 1.830 122.350 120.570 -0.084 0.000 2.493 490 I HA -0.195 3.975 4.170 -0.000 0.000 0.254 490 I C 2.230 178.322 176.117 -0.041 0.000 1.160 490 I CA 1.384 62.642 61.300 -0.070 0.000 1.445 490 I CB 0.045 38.015 38.000 -0.050 0.000 1.086 490 I HN 0.159 nan 8.210 nan 0.000 0.433 491 E N 0.909 121.089 120.200 -0.033 0.000 2.051 491 E HA -0.238 4.111 4.350 -0.000 0.000 0.192 491 E C 2.380 178.955 176.600 -0.043 0.000 0.991 491 E CA 1.263 57.648 56.400 -0.024 0.000 0.799 491 E CB -0.122 29.571 29.700 -0.012 0.000 0.748 491 E HN 0.469 nan 8.360 nan 0.000 0.449 492 R N 0.043 120.507 120.500 -0.059 0.000 2.105 492 R HA -0.129 4.211 4.340 -0.000 0.000 0.239 492 R C 2.534 178.742 176.300 -0.154 0.000 1.135 492 R CA 1.407 57.451 56.100 -0.093 0.000 0.967 492 R CB -0.367 29.875 30.300 -0.096 0.000 0.861 492 R HN 0.095 nan 8.270 nan 0.000 0.442 493 V N 1.107 120.928 119.914 -0.155 0.000 2.332 493 V HA -0.276 3.843 4.120 -0.000 0.000 0.248 493 V C 2.479 178.529 176.094 -0.074 0.000 1.055 493 V CA 2.204 64.411 62.300 -0.155 0.000 1.038 493 V CB -0.604 31.176 31.823 -0.073 0.000 0.651 493 V HN 0.491 nan 8.190 nan 0.000 0.450 494 S N 0.514 116.185 115.700 -0.048 0.000 2.419 494 S HA -0.175 4.295 4.470 -0.000 0.000 0.233 494 S C 1.851 176.440 174.600 -0.018 0.000 1.016 494 S CA 1.163 59.345 58.200 -0.029 0.000 0.974 494 S CB -0.395 62.792 63.200 -0.021 0.000 0.786 494 S HN 0.647 nan 8.310 nan 0.000 0.492 495 R N 0.831 121.313 120.500 -0.030 0.000 2.393 495 R HA 0.501 4.841 4.340 -0.000 0.000 0.244 495 R C 0.900 177.193 176.300 -0.012 0.000 0.920 495 R CA 0.384 56.476 56.100 -0.014 0.000 1.076 495 R CB -0.053 30.240 30.300 -0.011 0.000 1.119 495 R HN 0.459 nan 8.270 nan 0.000 0.524 496 A N 2.196 124.987 122.820 -0.048 0.000 2.783 496 A HA -0.206 4.114 4.320 -0.000 0.000 0.292 496 A C -0.136 177.444 177.584 -0.007 0.000 1.495 496 A CA 1.135 53.148 52.037 -0.040 0.000 0.787 496 A CB -1.630 17.448 19.000 0.130 0.000 1.017 496 A HN 0.407 nan 8.150 nan 0.000 0.516 497 D N -0.155 120.179 120.400 -0.110 0.000 2.494 497 D HA 0.497 5.137 4.640 -0.000 0.000 0.217 497 D C -0.194 176.068 176.300 -0.063 0.000 1.153 497 D CA -0.233 53.752 54.000 -0.025 0.000 0.954 497 D CB -0.503 40.284 40.800 -0.021 0.000 1.034 497 D HN 0.246 nan 8.370 nan 0.000 0.518 498 F N 2.130 122.074 119.950 -0.010 0.000 2.443 498 F HA 0.271 4.798 4.527 -0.000 0.000 0.353 498 F C 1.696 177.579 175.800 0.138 0.000 1.101 498 F CA -0.276 57.745 58.000 0.035 0.000 1.226 498 F CB 0.707 39.716 39.000 0.015 0.000 1.140 498 F HN -0.037 nan 8.300 nan 0.000 0.557 499 R N 1.716 122.371 120.500 0.257 0.000 2.543 499 R HA 0.094 4.434 4.340 -0.000 0.000 0.277 499 R C -0.065 176.364 176.300 0.214 0.000 1.074 499 R CA -0.497 55.725 56.100 0.203 0.000 1.076 499 R CB 0.438 30.814 30.300 0.127 0.000 0.993 499 R HN 0.626 nan 8.270 nan 0.000 0.459 500 E N 3.203 123.442 120.200 0.065 0.000 2.290 500 E HA 0.049 4.399 4.350 -0.000 0.000 0.277 500 E C -0.664 175.812 176.600 -0.207 0.000 1.035 500 E CA -0.306 55.904 56.400 -0.316 0.000 0.873 500 E CB 0.592 30.132 29.700 -0.267 0.000 1.029 500 E HN 0.335 nan 8.360 nan 0.000 0.419 501 L N 5.789 126.837 121.223 -0.291 0.000 2.331 501 L HA 0.236 4.575 4.340 -0.000 0.000 0.278 501 L C -0.187 176.492 176.870 -0.318 0.000 1.106 501 L CA -0.446 54.242 54.840 -0.255 0.000 0.824 501 L CB 0.508 42.395 42.059 -0.287 0.000 1.142 501 L HN 0.489 nan 8.230 nan 0.000 0.443 502 L N 5.030 126.092 121.223 -0.268 0.000 2.283 502 L HA 0.198 4.538 4.340 -0.000 0.000 0.281 502 L C 0.435 177.124 176.870 -0.300 0.000 1.033 502 L CA -0.338 54.378 54.840 -0.207 0.000 0.848 502 L CB 1.355 43.354 42.059 -0.101 0.000 1.226 502 L HN 0.619 nan 8.230 nan 0.000 0.429 503 L N 2.148 123.206 121.223 -0.275 0.000 2.316 503 L HA 0.221 4.560 4.340 -0.000 0.000 0.207 503 L C 1.199 178.015 176.870 -0.091 0.000 1.070 503 L CA 0.696 55.373 54.840 -0.272 0.000 0.820 503 L CB -0.079 41.922 42.059 -0.097 0.000 0.992 503 L HN 0.448 nan 8.230 nan 0.000 0.466 504 R N -0.183 120.286 120.500 -0.052 0.000 2.438 504 R HA 0.113 4.453 4.340 -0.000 0.000 0.287 504 R C 0.986 177.293 176.300 0.011 0.000 1.077 504 R CA -0.480 55.621 56.100 0.003 0.000 1.034 504 R CB 0.835 31.133 30.300 -0.003 0.000 0.993 504 R HN -0.118 nan 8.270 nan 0.000 0.459 505 R N 2.797 123.321 120.500 0.041 0.000 2.113 505 R HA -0.236 4.104 4.340 -0.000 0.000 0.244 505 R C 1.928 178.243 176.300 0.024 0.000 1.142 505 R CA 2.407 58.532 56.100 0.043 0.000 0.953 505 R CB -0.221 30.104 30.300 0.041 0.000 0.860 505 R HN 0.797 nan 8.270 nan 0.000 0.438 506 E N 0.246 120.455 120.200 0.015 0.000 2.150 506 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 506 E C 1.671 178.273 176.600 0.004 0.000 0.985 506 E CA 1.330 57.736 56.400 0.010 0.000 0.814 506 E CB -0.355 29.350 29.700 0.008 0.000 0.752 506 E HN 0.603 nan 8.360 nan 0.000 0.466 507 Q N 0.737 120.534 119.800 -0.006 0.000 2.079 507 Q HA -0.053 4.286 4.340 -0.000 0.000 0.200 507 Q C 2.537 178.531 176.000 -0.009 0.000 0.974 507 Q CA 1.603 57.397 55.803 -0.016 0.000 0.840 507 Q CB -0.021 28.693 28.738 -0.040 0.000 0.898 507 Q HN 0.162 nan 8.270 nan 0.000 0.430 508 V N 1.243 121.154 119.914 -0.005 0.000 2.407 508 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 508 V C 1.845 177.953 176.094 0.022 0.000 1.055 508 V CA 1.858 64.164 62.300 0.010 0.000 1.049 508 V CB -0.430 31.411 31.823 0.030 0.000 0.662 508 V HN 0.340 nan 8.190 nan 0.000 0.455 509 E N -0.071 120.142 120.200 0.022 0.000 2.152 509 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 509 E C 2.273 178.885 176.600 0.020 0.000 0.983 509 E CA 1.038 57.452 56.400 0.023 0.000 0.818 509 E CB -0.224 29.489 29.700 0.021 0.000 0.758 509 E HN 0.604 nan 8.360 nan 0.000 0.467 510 A N 0.729 123.558 122.820 0.016 0.000 2.014 510 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 510 A C 2.131 179.727 177.584 0.019 0.000 1.163 510 A CA 1.317 53.363 52.037 0.015 0.000 0.652 510 A CB -0.075 18.931 19.000 0.011 0.000 0.808 510 A HN 0.252 nan 8.150 nan 0.000 0.449 511 A N -0.960 121.872 122.820 0.019 0.000 2.267 511 A HA 0.443 4.763 4.320 -0.000 0.000 0.213 511 A C 0.878 178.480 177.584 0.030 0.000 1.192 511 A CA 0.238 52.289 52.037 0.023 0.000 0.851 511 A CB -0.398 18.613 19.000 0.019 0.000 0.881 511 A HN 0.505 nan 8.150 nan 0.000 0.494 512 V N 0.871 120.804 119.914 0.030 0.000 2.585 512 V HA 0.073 4.193 4.120 -0.000 0.000 0.296 512 V C 0.567 176.685 176.094 0.039 0.000 1.035 512 V CA 0.430 62.751 62.300 0.035 0.000 1.084 512 V CB 0.936 32.781 31.823 0.036 0.000 0.953 512 V HN 0.587 nan 8.190 nan 0.000 0.483 513 Q N 4.530 124.357 119.800 0.044 0.000 2.214 513 Q HA 0.341 4.681 4.340 -0.000 0.000 0.229 513 Q C 0.065 176.099 176.000 0.055 0.000 0.835 513 Q CA 0.148 55.983 55.803 0.053 0.000 0.953 513 Q CB 1.356 30.136 28.738 0.068 0.000 1.131 513 Q HN 0.902 nan 8.270 nan 0.000 0.501 514 E N 0.296 120.527 120.200 0.052 0.000 2.397 514 E HA 0.324 4.674 4.350 -0.000 0.000 0.293 514 E C -1.386 175.246 176.600 0.054 0.000 0.930 514 E CA -0.268 56.165 56.400 0.054 0.000 0.793 514 E CB 1.411 31.148 29.700 0.062 0.000 1.259 514 E HN -0.099 nan 8.360 nan 0.000 0.406 515 R N 2.001 122.533 120.500 0.054 0.000 2.295 515 R HA 0.415 4.755 4.340 -0.000 0.000 0.324 515 R C -0.998 175.344 176.300 0.071 0.000 0.968 515 R CA -0.346 55.790 56.100 0.060 0.000 0.837 515 R CB 1.886 32.216 30.300 0.049 0.000 1.133 515 R HN 0.271 nan 8.270 nan 0.000 0.450 516 T N 5.513 120.124 114.554 0.095 0.000 2.853 516 T HA 0.289 4.639 4.350 -0.000 0.000 0.317 516 T C -2.016 172.794 174.700 0.183 0.000 1.059 516 T CA -1.393 60.780 62.100 0.122 0.000 0.954 516 T CB 0.899 69.837 68.868 0.117 0.000 0.994 516 T HN 0.384 nan 8.240 nan 0.000 0.479 517 P HA 0.518 nan 4.420 nan 0.000 0.279 517 P C -0.872 176.541 177.300 0.189 0.000 1.239 517 P CA -0.583 62.574 63.100 0.095 0.000 0.789 517 P CB 0.543 32.261 31.700 0.030 0.000 0.933 518 F N 0.124 120.091 119.950 0.028 0.000 2.664 518 F HA 0.759 5.286 4.527 -0.000 0.000 0.329 518 F C -0.888 174.944 175.800 0.053 0.000 1.090 518 F CA -1.219 56.805 58.000 0.039 0.000 0.978 518 F CB 1.686 40.708 39.000 0.036 0.000 1.378 518 F HN 0.395 nan 8.300 nan 0.000 0.495 519 N N 0.155 118.978 118.700 0.205 0.000 2.367 519 N HA 0.419 5.159 4.740 -0.000 0.000 0.278 519 N C -2.384 173.313 175.510 0.312 0.000 1.117 519 N CA -0.693 52.434 53.050 0.127 0.000 0.867 519 N CB 2.120 40.614 38.487 0.011 0.000 1.649 519 N HN 0.916 nan 8.380 nan 0.000 0.479 520 F N 1.986 122.010 119.950 0.122 0.000 2.467 520 F HA 0.533 5.060 4.527 -0.000 0.000 0.336 520 F C -0.755 175.080 175.800 0.059 0.000 1.123 520 F CA -0.786 57.286 58.000 0.119 0.000 0.964 520 F CB 1.136 40.236 39.000 0.165 0.000 1.136 520 F HN 0.655 nan 8.300 nan 0.000 0.447 521 K N 7.138 127.247 120.400 -0.486 0.000 2.579 521 K HA 0.557 4.876 4.320 -0.000 0.000 0.250 521 K C -2.892 173.323 176.600 -0.641 0.000 0.952 521 K CA -1.499 54.469 56.287 -0.532 0.000 0.857 521 K CB 1.208 33.578 32.500 -0.216 0.000 1.123 521 K HN 0.375 nan 8.250 nan 0.000 0.433 522 P HA 0.000 nan 4.420 nan 0.000 0.216 522 P CA 0.000 62.852 63.100 -0.414 0.000 0.800 522 P CB 0.000 31.544 31.700 -0.260 0.000 0.726