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 2vak_1_E DATA FIRST_RESID 5 DATA SEQUENCE SEFGSTMARA IYDFFSTPFG NRGLATNRTQ LSSLLSSSNS PWQXXXXXXX DATA SEQUENCE XXXXXXIVST PEAPYPGSLM YQESMLHSAT VPGVLGSRDA WRTFNVFGLS DATA SEQUENCE WTDEGLSGLV AAQDPPPAAP YQPASAQWSD LLNYPRWANR RRELQSKYPL DATA SEQUENCE LLRSTLLSAM RAGPVLYVET WPNMISGRLA DWFMSQYGNN FVDMCARLTQ DATA SEQUENCE SCSNMPVEPD GNYDQQMRAL ISLWLLSYIG VVNQTNTISG FYFSSKTRGQ DATA SEQUENCE ALDSWTLFYT TNTNRVQITQ RHFAYVCARS PDWNVDKSWI AAANLTAIVM DATA SEQUENCE ACRQPPVFAN QGVINQAQNR PGFSMNGGTP VHELNLLTTA QECIRQWVMA DATA SEQUENCE GLVSAAKGQA LTQEANDFSN LIQADLGQIK AQDDALYNQQ PGYARRIKPF DATA SEQUENCE VNGDWTPGMT AQALAVLATF TA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.499 174.600 -0.168 0.000 1.055 5 S CA 0.000 58.144 58.200 -0.093 0.000 1.107 5 S CB 0.000 63.174 63.200 -0.044 0.000 0.593 6 E N 2.963 122.970 120.200 -0.322 0.000 2.385 6 E HA 0.086 4.435 4.350 -0.000 0.000 0.194 6 E C 0.470 176.756 176.600 -0.523 0.000 1.013 6 E CA 0.562 56.669 56.400 -0.489 0.000 0.866 6 E CB -0.250 29.053 29.700 -0.662 0.000 0.832 6 E HN 0.633 nan 8.360 nan 0.000 0.500 7 F N 1.356 121.255 119.950 -0.084 0.000 2.698 7 F HA 0.351 4.878 4.527 -0.000 0.000 0.295 7 F C 1.570 177.295 175.800 -0.125 0.000 1.124 7 F CA 0.469 58.411 58.000 -0.096 0.000 1.426 7 F CB 0.320 39.268 39.000 -0.088 0.000 1.120 7 F HN 0.223 nan 8.300 nan 0.000 0.583 8 G N 0.082 108.887 108.800 0.008 0.000 2.527 8 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.227 8 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.227 8 G C -0.349 174.509 174.900 -0.069 0.000 1.291 8 G CA -0.421 44.640 45.100 -0.066 0.000 0.904 8 G HN 0.095 nan 8.290 nan 0.000 0.577 9 S N 0.891 116.538 115.700 -0.088 0.000 2.488 9 S HA 0.524 4.994 4.470 -0.000 0.000 0.310 9 S C 1.245 175.803 174.600 -0.071 0.000 1.093 9 S CA 0.525 58.674 58.200 -0.086 0.000 1.129 9 S CB 0.985 64.132 63.200 -0.088 0.000 0.989 9 S HN 1.369 nan 8.310 nan 0.000 0.479 10 T N -0.412 114.100 114.554 -0.070 0.000 3.044 10 T HA 0.295 4.645 4.350 -0.000 0.000 0.250 10 T C 0.670 175.321 174.700 -0.082 0.000 1.081 10 T CA -0.025 62.028 62.100 -0.078 0.000 1.040 10 T CB -0.109 68.712 68.868 -0.078 0.000 0.962 10 T HN 0.391 nan 8.240 nan 0.000 0.506 11 M N 2.211 121.763 119.600 -0.081 0.000 2.217 11 M HA 0.547 5.027 4.480 -0.000 0.000 0.354 11 M C 0.577 176.831 176.300 -0.076 0.000 1.225 11 M CA -0.671 54.581 55.300 -0.080 0.000 1.137 11 M CB 0.861 33.412 32.600 -0.081 0.000 1.576 11 M HN 0.246 nan 8.290 nan 0.000 0.461 12 A N 3.445 126.221 122.820 -0.073 0.000 2.386 12 A HA 0.305 4.625 4.320 -0.000 0.000 0.248 12 A C 0.159 177.685 177.584 -0.098 0.000 1.082 12 A CA -0.382 51.613 52.037 -0.070 0.000 0.789 12 A CB 0.303 19.271 19.000 -0.053 0.000 1.025 12 A HN 0.924 nan 8.150 nan 0.000 0.490 13 R N 0.718 121.142 120.500 -0.127 0.000 2.590 13 R HA 0.363 4.703 4.340 -0.000 0.000 0.274 13 R C 0.584 176.703 176.300 -0.303 0.000 1.061 13 R CA 0.718 56.663 56.100 -0.259 0.000 1.081 13 R CB 0.459 30.527 30.300 -0.387 0.000 0.984 13 R HN 0.776 nan 8.270 nan 0.000 0.448 14 A N 5.366 127.986 122.820 -0.334 0.000 2.340 14 A HA 0.290 4.610 4.320 -0.000 0.000 0.213 14 A C 0.212 177.641 177.584 -0.258 0.000 1.299 14 A CA -0.206 51.705 52.037 -0.211 0.000 0.994 14 A CB 0.505 19.448 19.000 -0.097 0.000 1.132 14 A HN 0.579 nan 8.150 nan 0.000 0.519 15 I N 0.674 121.003 120.570 -0.401 0.000 2.382 15 I HA 0.326 4.496 4.170 -0.000 0.000 0.286 15 I C -1.413 174.444 176.117 -0.433 0.000 1.002 15 I CA -0.627 60.526 61.300 -0.244 0.000 1.135 15 I CB 1.329 39.260 38.000 -0.114 0.000 1.288 15 I HN 0.206 nan 8.210 nan 0.000 0.448 16 Y N 3.995 124.217 120.300 -0.129 0.000 2.944 16 Y HA 0.323 4.873 4.550 -0.000 0.000 0.335 16 Y C -0.160 175.820 175.900 0.133 0.000 1.075 16 Y CA -0.969 56.976 58.100 -0.258 0.000 1.240 16 Y CB 0.220 38.371 38.460 -0.515 0.000 1.167 16 Y HN 0.451 nan 8.280 nan 0.000 0.555 17 D N 2.025 122.654 120.400 0.383 0.000 2.255 17 D HA 0.198 4.838 4.640 -0.000 0.000 0.249 17 D C -0.950 175.754 176.300 0.672 0.000 1.078 17 D CA -0.058 54.232 54.000 0.482 0.000 0.896 17 D CB 1.349 42.336 40.800 0.310 0.000 1.194 17 D HN 0.301 nan 8.370 nan 0.000 0.429 18 F N 2.681 122.921 119.950 0.484 0.000 2.520 18 F HA 0.498 5.025 4.527 -0.000 0.000 0.322 18 F C -1.657 174.258 175.800 0.192 0.000 1.103 18 F CA -1.172 57.021 58.000 0.323 0.000 0.926 18 F CB 1.097 40.256 39.000 0.265 0.000 1.154 18 F HN 0.105 nan 8.300 nan 0.000 0.453 19 F N 5.366 124.590 119.950 -1.211 0.000 2.467 19 F HA 0.543 5.070 4.527 -0.000 0.000 0.336 19 F C -0.321 174.736 175.800 -1.238 0.000 1.123 19 F CA -0.765 56.425 58.000 -1.349 0.000 0.964 19 F CB 1.328 39.299 39.000 -1.714 0.000 1.136 19 F HN 0.534 nan 8.300 nan 0.000 0.447 20 S N 3.117 118.078 115.700 -1.231 0.000 2.601 20 S HA 0.389 4.859 4.470 -0.000 0.000 0.271 20 S C -0.078 174.085 174.600 -0.729 0.000 1.305 20 S CA -0.715 57.114 58.200 -0.619 0.000 1.022 20 S CB 0.814 63.916 63.200 -0.164 0.000 0.940 20 S HN 0.690 nan 8.310 nan 0.000 0.525 21 T N 4.573 118.946 114.554 -0.301 0.000 2.905 21 T HA 0.194 4.544 4.350 -0.000 0.000 0.299 21 T C -2.337 172.239 174.700 -0.206 0.000 1.024 21 T CA -0.162 61.822 62.100 -0.193 0.000 1.151 21 T CB -0.360 68.461 68.868 -0.079 0.000 0.987 21 T HN 0.543 nan 8.240 nan 0.000 0.535 22 P HA 0.414 nan 4.420 nan 0.000 0.275 22 P C -0.677 176.604 177.300 -0.031 0.000 1.228 22 P CA -0.430 62.544 63.100 -0.209 0.000 0.786 22 P CB 0.369 32.011 31.700 -0.097 0.000 0.927 23 F N -0.971 118.971 119.950 -0.012 0.000 2.692 23 F HA 0.865 5.392 4.527 -0.000 0.000 0.320 23 F C 0.436 176.279 175.800 0.073 0.000 1.123 23 F CA -0.968 57.044 58.000 0.019 0.000 0.961 23 F CB 0.523 39.560 39.000 0.062 0.000 1.383 23 F HN 0.374 nan 8.300 nan 0.000 0.483 24 G N 0.168 109.255 108.800 0.478 0.000 3.075 24 G HA2 0.150 4.110 3.960 -0.000 0.000 0.156 24 G HA3 0.150 4.110 3.960 -0.000 0.000 0.156 24 G C 0.068 175.239 174.900 0.450 0.000 1.403 24 G CA -0.507 44.834 45.100 0.400 0.000 1.033 24 G HN 0.587 nan 8.290 nan 0.000 0.589 25 N N 0.165 119.057 118.700 0.320 0.000 2.244 25 N HA -0.047 4.693 4.740 -0.000 0.000 0.183 25 N C 1.659 177.221 175.510 0.087 0.000 1.016 25 N CA 0.617 53.763 53.050 0.159 0.000 0.866 25 N CB 0.025 38.550 38.487 0.064 0.000 0.980 25 N HN 0.217 nan 8.380 nan 0.000 0.430 26 R N 0.699 121.195 120.500 -0.007 0.000 2.552 26 R HA 0.310 4.650 4.340 -0.000 0.000 0.314 26 R C 0.904 177.164 176.300 -0.067 0.000 1.041 26 R CA 0.030 56.019 56.100 -0.185 0.000 1.076 26 R CB -0.041 29.910 30.300 -0.583 0.000 1.290 26 R HN 0.140 nan 8.270 nan 0.000 0.563 27 G N 1.291 110.099 108.800 0.013 0.000 2.632 27 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.224 27 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.224 27 G C -0.731 173.737 174.900 -0.719 0.000 1.341 27 G CA -0.534 44.295 45.100 -0.452 0.000 0.880 27 G HN 0.245 nan 8.290 nan 0.000 0.566 28 L N 1.119 121.747 121.223 -0.992 0.000 2.416 28 L HA 0.624 4.964 4.340 -0.000 0.000 0.272 28 L C 1.540 178.362 176.870 -0.080 0.000 1.161 28 L CA 0.977 55.506 54.840 -0.519 0.000 0.845 28 L CB 0.983 42.891 42.059 -0.253 0.000 1.119 28 L HN 1.670 nan 8.230 nan 0.000 0.464 29 A N 3.841 126.662 122.820 0.002 0.000 3.019 29 A HA 0.411 4.731 4.320 -0.000 0.000 0.262 29 A C 0.464 177.990 177.584 -0.097 0.000 1.509 29 A CA 0.149 52.226 52.037 0.066 0.000 1.159 29 A CB -0.785 18.209 19.000 -0.009 0.000 1.042 29 A HN 0.768 nan 8.150 nan 0.000 0.641 30 T N -0.276 114.137 114.554 -0.235 0.000 2.716 30 T HA 0.640 4.990 4.350 -0.000 0.000 0.286 30 T C -1.175 173.145 174.700 -0.632 0.000 1.052 30 T CA -0.292 61.556 62.100 -0.420 0.000 1.024 30 T CB 1.105 69.693 68.868 -0.468 0.000 1.349 30 T HN 0.757 nan 8.240 nan 0.000 0.525 31 N N -0.653 117.636 118.700 -0.685 0.000 3.046 31 N HA 0.307 5.047 4.740 -0.000 0.000 0.243 31 N C 0.240 175.478 175.510 -0.453 0.000 1.452 31 N CA -0.933 51.754 53.050 -0.604 0.000 0.882 31 N CB 0.845 39.181 38.487 -0.253 0.000 1.425 31 N HN 0.554 nan 8.380 nan 0.000 0.517 32 R N -0.673 119.699 120.500 -0.213 0.000 2.185 32 R HA -0.137 4.203 4.340 -0.000 0.000 0.247 32 R C 0.504 176.734 176.300 -0.117 0.000 1.159 32 R CA 2.506 58.549 56.100 -0.096 0.000 0.988 32 R CB -0.631 29.672 30.300 0.005 0.000 0.871 32 R HN 0.748 nan 8.270 nan 0.000 0.458 33 T N 0.048 114.529 114.554 -0.122 0.000 2.770 33 T HA -0.153 4.196 4.350 -0.000 0.000 0.263 33 T C 1.653 176.282 174.700 -0.119 0.000 1.039 33 T CA 1.235 63.275 62.100 -0.101 0.000 1.142 33 T CB -0.173 68.644 68.868 -0.085 0.000 0.868 33 T HN 0.382 nan 8.240 nan 0.000 0.435 34 Q N 0.432 120.137 119.800 -0.159 0.000 2.084 34 Q HA -0.017 4.323 4.340 -0.000 0.000 0.202 34 Q C 2.171 178.073 176.000 -0.162 0.000 0.978 34 Q CA 1.132 56.838 55.803 -0.162 0.000 0.844 34 Q CB -0.249 28.367 28.738 -0.203 0.000 0.898 34 Q HN 0.474 nan 8.270 nan 0.000 0.426 35 L N 0.062 121.168 121.223 -0.196 0.000 2.376 35 L HA -0.079 4.261 4.340 -0.000 0.000 0.219 35 L C 2.232 179.018 176.870 -0.141 0.000 1.133 35 L CA 0.393 55.125 54.840 -0.180 0.000 0.816 35 L CB -0.048 41.894 42.059 -0.195 0.000 0.933 35 L HN 0.150 nan 8.230 nan 0.000 0.449 36 S N -0.518 115.111 115.700 -0.118 0.000 2.406 36 S HA -0.095 4.375 4.470 -0.000 0.000 0.224 36 S C 2.039 176.589 174.600 -0.082 0.000 1.030 36 S CA 1.103 59.247 58.200 -0.094 0.000 0.958 36 S CB 0.029 63.183 63.200 -0.076 0.000 0.811 36 S HN 0.564 nan 8.310 nan 0.000 0.489 37 S N 1.354 117.004 115.700 -0.082 0.000 2.584 37 S HA 0.104 4.574 4.470 -0.000 0.000 0.240 37 S C 1.374 175.935 174.600 -0.064 0.000 0.975 37 S CA 0.553 58.714 58.200 -0.066 0.000 0.949 37 S CB -0.495 62.666 63.200 -0.065 0.000 0.761 37 S HN 0.409 nan 8.310 nan 0.000 0.536 38 L N -0.135 121.039 121.223 -0.082 0.000 2.388 38 L HA 0.375 4.715 4.340 -0.000 0.000 0.209 38 L C 0.635 177.462 176.870 -0.073 0.000 1.061 38 L CA -0.071 54.721 54.840 -0.080 0.000 0.834 38 L CB -0.251 41.741 42.059 -0.112 0.000 1.029 38 L HN 0.244 nan 8.230 nan 0.000 0.473 39 L N 0.996 122.168 121.223 -0.085 0.000 2.485 39 L HA 0.040 4.380 4.340 -0.000 0.000 0.275 39 L C 1.101 177.947 176.870 -0.039 0.000 1.207 39 L CA -0.209 54.586 54.840 -0.075 0.000 0.855 39 L CB 0.286 42.294 42.059 -0.084 0.000 1.114 39 L HN 0.232 nan 8.230 nan 0.000 0.485 40 S N 0.974 116.662 115.700 -0.020 0.000 2.617 40 S HA 0.015 4.485 4.470 -0.000 0.000 0.255 40 S C 1.390 175.991 174.600 0.002 0.000 1.318 40 S CA -0.146 58.054 58.200 0.001 0.000 0.978 40 S CB 0.983 64.196 63.200 0.022 0.000 0.961 40 S HN 0.776 nan 8.310 nan 0.000 0.582 41 S N 0.366 116.071 115.700 0.009 0.000 2.420 41 S HA -0.139 4.331 4.470 -0.000 0.000 0.237 41 S C 1.426 176.033 174.600 0.013 0.000 1.023 41 S CA 1.188 59.394 58.200 0.009 0.000 0.991 41 S CB -1.178 62.030 63.200 0.012 0.000 0.792 41 S HN 1.233 nan 8.310 nan 0.000 0.488 42 S N 0.594 116.307 115.700 0.021 0.000 2.602 42 S HA 0.385 4.855 4.470 -0.000 0.000 0.240 42 S C 0.250 174.869 174.600 0.032 0.000 0.992 42 S CA -0.212 58.006 58.200 0.030 0.000 0.971 42 S CB -0.844 62.381 63.200 0.041 0.000 0.855 42 S HN 0.683 nan 8.310 nan 0.000 0.481 43 N N 0.206 118.914 118.700 0.013 0.000 2.967 43 N HA -0.163 4.577 4.740 -0.000 0.000 0.241 43 N C -0.339 175.171 175.510 -0.001 0.000 0.983 43 N CA 0.655 53.703 53.050 -0.003 0.000 0.918 43 N CB -1.548 36.943 38.487 0.008 0.000 1.109 43 N HN 0.451 nan 8.380 nan 0.000 0.567 44 S N 1.083 116.795 115.700 0.020 0.000 2.474 44 S HA 0.295 4.765 4.470 -0.000 0.000 0.276 44 S C -1.194 173.358 174.600 -0.080 0.000 1.227 44 S CA -1.473 56.746 58.200 0.031 0.000 1.050 44 S CB 0.980 64.249 63.200 0.115 0.000 0.939 44 S HN 0.060 nan 8.310 nan 0.000 0.490 45 P HA 0.082 nan 4.420 nan 0.000 0.236 45 P C 0.400 177.526 177.300 -0.289 0.000 1.177 45 P CA 0.557 63.428 63.100 -0.383 0.000 0.773 45 P CB -0.021 31.301 31.700 -0.631 0.000 0.878 46 W N -0.457 120.930 121.300 0.144 0.000 2.588 46 W HA 0.163 4.823 4.660 -0.000 0.000 0.277 46 W C 1.571 178.131 176.519 0.069 0.000 1.221 46 W CA -0.381 57.026 57.345 0.104 0.000 1.355 46 W CB -0.681 28.829 29.460 0.083 0.000 1.083 46 W HN -0.087 nan 8.180 nan 0.000 0.581 62 V N 1.260 121.188 119.914 0.024 0.000 3.431 62 V HA 0.105 4.225 4.120 -0.000 0.000 0.303 62 V C 1.133 177.228 176.094 0.001 0.000 1.179 62 V CA 0.178 62.485 62.300 0.012 0.000 1.284 62 V CB -1.392 30.439 31.823 0.014 0.000 1.036 62 V HN 0.633 nan 8.190 nan 0.000 0.425 63 S N 0.809 116.504 115.700 -0.008 0.000 2.576 63 S HA 0.362 4.832 4.470 -0.000 0.000 0.272 63 S C 0.361 174.934 174.600 -0.044 0.000 1.352 63 S CA 0.414 58.592 58.200 -0.037 0.000 1.021 63 S CB 1.232 64.385 63.200 -0.078 0.000 0.887 63 S HN 0.807 nan 8.310 nan 0.000 0.542 64 T N 0.386 114.906 114.554 -0.057 0.000 2.901 64 T HA 0.488 4.838 4.350 -0.000 0.000 0.293 64 T C -2.241 172.418 174.700 -0.069 0.000 1.084 64 T CA -2.006 60.064 62.100 -0.051 0.000 1.008 64 T CB 1.187 70.032 68.868 -0.037 0.000 1.170 64 T HN 0.201 nan 8.240 nan 0.000 0.509 65 P HA -0.017 nan 4.420 nan 0.000 0.221 65 P C 1.206 178.478 177.300 -0.047 0.000 1.150 65 P CA 0.678 63.744 63.100 -0.055 0.000 0.800 65 P CB 0.209 31.889 31.700 -0.034 0.000 0.787 66 E N 0.287 120.460 120.200 -0.045 0.000 2.107 66 E HA -0.031 4.319 4.350 -0.000 0.000 0.191 66 E C 0.891 177.465 176.600 -0.044 0.000 0.982 66 E CA 0.946 57.317 56.400 -0.048 0.000 0.809 66 E CB -0.677 28.989 29.700 -0.056 0.000 0.756 66 E HN 0.136 nan 8.360 nan 0.000 0.459 67 A N 2.593 125.388 122.820 -0.043 0.000 2.978 67 A HA 0.340 4.660 4.320 -0.000 0.000 0.341 67 A C -1.928 175.617 177.584 -0.065 0.000 1.105 67 A CA -1.241 50.779 52.037 -0.027 0.000 0.819 67 A CB 0.826 19.821 19.000 -0.007 0.000 1.080 67 A HN -0.064 nan 8.150 nan 0.000 0.476 68 P HA -0.028 nan 4.420 nan 0.000 0.229 68 P C -0.321 176.680 177.300 -0.498 0.000 1.160 68 P CA 1.080 63.979 63.100 -0.335 0.000 0.777 68 P CB 0.022 31.448 31.700 -0.457 0.000 0.814 69 Y N -1.608 118.683 120.300 -0.014 0.000 2.536 69 Y HA 0.351 4.900 4.550 -0.000 0.000 0.347 69 Y C -1.439 174.456 175.900 -0.009 0.000 1.000 69 Y CA -2.779 55.306 58.100 -0.024 0.000 1.051 69 Y CB 0.962 39.370 38.460 -0.086 0.000 1.259 69 Y HN -0.340 nan 8.280 nan 0.000 0.468 70 P HA -0.195 nan 4.420 nan 0.000 0.216 70 P C 1.418 178.807 177.300 0.149 0.000 1.154 70 P CA 2.302 65.491 63.100 0.148 0.000 0.865 70 P CB 0.080 31.877 31.700 0.162 0.000 0.789 71 G N -1.285 107.565 108.800 0.084 0.000 2.559 71 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 71 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 71 G C 1.571 176.535 174.900 0.107 0.000 1.126 71 G CA 0.504 45.636 45.100 0.053 0.000 0.778 71 G HN 0.190 nan 8.290 nan 0.000 0.543 72 S N 0.500 116.257 115.700 0.096 0.000 2.359 72 S HA -0.084 4.386 4.470 -0.000 0.000 0.224 72 S C 2.279 176.976 174.600 0.162 0.000 1.035 72 S CA 0.966 59.245 58.200 0.131 0.000 1.018 72 S CB -0.227 63.030 63.200 0.094 0.000 0.876 72 S HN 0.373 nan 8.310 nan 0.000 0.448 73 L N 0.612 121.912 121.223 0.130 0.000 2.056 73 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 73 L C 2.577 179.518 176.870 0.118 0.000 1.078 73 L CA 1.179 56.077 54.840 0.096 0.000 0.749 73 L CB -0.497 41.609 42.059 0.078 0.000 0.901 73 L HN 0.316 nan 8.230 nan 0.000 0.433 74 M N -1.081 118.635 119.600 0.193 0.000 2.082 74 M HA -0.319 4.161 4.480 -0.000 0.000 0.258 74 M C 2.396 178.836 176.300 0.232 0.000 1.069 74 M CA 2.117 57.555 55.300 0.230 0.000 1.102 74 M CB -0.281 32.525 32.600 0.344 0.000 1.336 74 M HN 0.220 nan 8.290 nan 0.000 0.404 75 Y N 0.482 120.879 120.300 0.162 0.000 2.220 75 Y HA -0.202 4.348 4.550 -0.000 0.000 0.291 75 Y C 2.166 178.086 175.900 0.033 0.000 1.129 75 Y CA 1.932 60.105 58.100 0.122 0.000 1.161 75 Y CB -0.297 38.250 38.460 0.145 0.000 0.997 75 Y HN 0.339 nan 8.280 nan 0.000 0.522 76 Q N -0.124 119.679 119.800 0.006 0.000 2.167 76 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 76 Q C 2.008 177.870 176.000 -0.230 0.000 0.970 76 Q CA 1.657 57.373 55.803 -0.145 0.000 0.855 76 Q CB -0.113 28.594 28.738 -0.051 0.000 0.911 76 Q HN 0.597 nan 8.270 nan 0.000 0.438 77 E N 0.516 120.599 120.200 -0.194 0.000 2.106 77 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 77 E C 2.179 178.432 176.600 -0.579 0.000 0.984 77 E CA 1.223 57.407 56.400 -0.360 0.000 0.806 77 E CB -0.043 29.531 29.700 -0.211 0.000 0.750 77 E HN 0.297 nan 8.360 nan 0.000 0.458 78 S N 0.731 116.267 115.700 -0.273 0.000 2.383 78 S HA -0.210 4.259 4.470 -0.000 0.000 0.229 78 S C 2.039 176.551 174.600 -0.148 0.000 1.030 78 S CA 1.128 59.255 58.200 -0.122 0.000 1.002 78 S CB -0.194 62.950 63.200 -0.093 0.000 0.829 78 S HN 0.174 nan 8.310 nan 0.000 0.467 79 M N 0.157 119.579 119.600 -0.296 0.000 2.200 79 M HA 0.084 4.564 4.480 -0.000 0.000 0.265 79 M C 2.292 178.536 176.300 -0.093 0.000 1.066 79 M CA 1.119 56.296 55.300 -0.205 0.000 1.127 79 M CB -0.519 31.892 32.600 -0.314 0.000 1.379 79 M HN 0.437 nan 8.290 nan 0.000 0.420 80 L N 0.203 121.311 121.223 -0.192 0.000 1.989 80 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 80 L C 2.134 179.003 176.870 -0.002 0.000 1.071 80 L CA 2.150 56.901 54.840 -0.149 0.000 0.749 80 L CB -0.742 41.155 42.059 -0.269 0.000 0.890 80 L HN 0.305 nan 8.230 nan 0.000 0.431 81 H N -1.395 117.715 119.070 0.066 0.000 2.352 81 H HA -0.120 4.436 4.556 -0.000 0.000 0.299 81 H C 2.205 177.604 175.328 0.119 0.000 1.097 81 H CA 1.217 57.317 56.048 0.086 0.000 1.311 81 H CB -0.150 29.728 29.762 0.193 0.000 1.377 81 H HN 0.397 nan 8.280 nan 0.000 0.504 82 S N 0.338 116.271 115.700 0.388 0.000 2.423 82 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 82 S C 2.348 177.187 174.600 0.398 0.000 1.014 82 S CA 0.693 59.150 58.200 0.427 0.000 0.965 82 S CB -0.042 63.357 63.200 0.332 0.000 0.785 82 S HN 0.537 nan 8.310 nan 0.000 0.495 83 A N 1.641 124.677 122.820 0.360 0.000 1.935 83 A HA -0.010 4.310 4.320 -0.000 0.000 0.214 83 A C 2.377 180.261 177.584 0.500 0.000 1.178 83 A CA 1.630 53.952 52.037 0.474 0.000 0.640 83 A CB -0.856 18.424 19.000 0.467 0.000 0.825 83 A HN 0.589 nan 8.150 nan 0.000 0.447 84 T N -3.915 110.843 114.554 0.340 0.000 3.039 84 T HA 0.120 4.470 4.350 -0.000 0.000 0.250 84 T C 1.609 176.477 174.700 0.281 0.000 1.052 84 T CA 1.072 63.391 62.100 0.366 0.000 1.125 84 T CB -0.091 68.885 68.868 0.180 0.000 0.908 84 T HN 0.004 nan 8.240 nan 0.000 0.473 85 V N 2.385 122.374 119.914 0.125 0.000 2.341 85 V HA 0.108 4.228 4.120 -0.000 0.000 0.240 85 V C -0.555 175.374 176.094 -0.275 0.000 1.035 85 V CA 0.681 62.927 62.300 -0.090 0.000 1.033 85 V CB -1.109 30.661 31.823 -0.088 0.000 0.678 85 V HN 0.287 nan 8.190 nan 0.000 0.464 86 P HA -0.110 nan 4.420 nan 0.000 0.219 86 P C 1.387 178.551 177.300 -0.227 0.000 1.146 86 P CA 1.781 64.837 63.100 -0.073 0.000 0.808 86 P CB -0.214 31.589 31.700 0.172 0.000 0.779 87 G N -1.195 107.252 108.800 -0.588 0.000 2.985 87 G HA2 0.019 3.979 3.960 -0.000 0.000 0.209 87 G HA3 0.019 3.979 3.960 -0.000 0.000 0.209 87 G C 1.009 175.502 174.900 -0.678 0.000 1.165 87 G CA 0.074 44.700 45.100 -0.790 0.000 0.776 87 G HN 0.198 nan 8.290 nan 0.000 0.541 88 V N 0.427 119.869 119.914 -0.788 0.000 3.621 88 V HA 0.213 4.333 4.120 -0.000 0.000 0.285 88 V C 2.010 177.818 176.094 -0.477 0.000 1.346 88 V CA 0.222 62.117 62.300 -0.675 0.000 1.104 88 V CB 0.021 31.323 31.823 -0.868 0.000 0.913 88 V HN 0.307 nan 8.190 nan 0.000 0.432 89 L N 0.929 121.925 121.223 -0.377 0.000 2.599 89 L HA 0.215 4.555 4.340 -0.000 0.000 0.230 89 L C 2.318 179.199 176.870 0.019 0.000 1.141 89 L CA 0.875 55.604 54.840 -0.185 0.000 0.877 89 L CB -0.483 41.500 42.059 -0.127 0.000 1.009 89 L HN 0.433 nan 8.230 nan 0.000 0.447 90 G N -0.438 108.361 108.800 -0.002 0.000 2.650 90 G HA2 0.299 4.259 3.960 -0.000 0.000 0.214 90 G HA3 0.299 4.259 3.960 -0.000 0.000 0.214 90 G C 0.596 175.523 174.900 0.045 0.000 1.136 90 G CA 0.889 46.009 45.100 0.033 0.000 0.789 90 G HN 0.504 nan 8.290 nan 0.000 0.536 91 S N -1.710 114.033 115.700 0.071 0.000 2.690 91 S HA 0.431 4.901 4.470 -0.000 0.000 0.264 91 S C 0.715 175.349 174.600 0.056 0.000 1.040 91 S CA -0.273 57.950 58.200 0.039 0.000 0.869 91 S CB -0.054 nan 63.200 nan 0.000 1.132 91 S HN -0.009 nan 8.310 nan 0.000 0.474 92 R N 0.024 120.514 120.500 -0.017 0.000 2.148 92 R HA 0.000 4.340 4.340 -0.000 0.000 0.227 92 R C -0.167 176.258 176.300 0.208 0.000 1.103 92 R CA 1.506 57.602 56.100 -0.007 0.000 0.983 92 R CB -0.002 30.271 30.300 -0.045 0.000 0.874 92 R HN 0.677 nan 8.270 nan 0.000 0.451 93 D N -0.755 119.706 120.400 0.101 0.000 2.431 93 D HA 0.145 4.785 4.640 -0.000 0.000 0.213 93 D C 1.127 177.320 176.300 -0.178 0.000 1.130 93 D CA 0.093 54.065 54.000 -0.047 0.000 0.834 93 D CB 0.807 41.559 40.800 -0.079 0.000 0.985 93 D HN 0.105 nan 8.370 nan 0.000 0.504 94 A N 1.639 124.461 122.820 0.003 0.000 1.972 94 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 94 A C 2.048 179.674 177.584 0.070 0.000 1.169 94 A CA 0.836 52.887 52.037 0.024 0.000 0.635 94 A CB -1.141 17.888 19.000 0.047 0.000 0.810 94 A HN 0.546 nan 8.150 nan 0.000 0.446 95 W N 0.674 122.023 121.300 0.081 0.000 2.387 95 W HA -0.170 4.490 4.660 -0.000 0.000 0.272 95 W C 1.592 178.246 176.519 0.224 0.000 1.224 95 W CA 0.899 58.344 57.345 0.167 0.000 1.210 95 W CB -0.688 28.816 29.460 0.073 0.000 1.125 95 W HN 0.310 nan 8.180 nan 0.000 0.572 96 R N 0.963 120.939 120.500 -0.873 0.000 2.061 96 R HA -0.113 4.227 4.340 -0.000 0.000 0.230 96 R C 2.649 178.778 176.300 -0.285 0.000 1.140 96 R CA 2.872 58.419 56.100 -0.922 0.000 0.940 96 R CB -1.174 28.563 30.300 -0.939 0.000 0.839 96 R HN 0.268 nan 8.270 nan 0.000 0.429 97 T N -1.427 113.030 114.554 -0.161 0.000 3.009 97 T HA -0.032 4.318 4.350 -0.000 0.000 0.258 97 T C 0.789 175.507 174.700 0.028 0.000 1.063 97 T CA -0.283 61.784 62.100 -0.056 0.000 1.139 97 T CB -0.404 68.433 68.868 -0.052 0.000 0.890 97 T HN 0.103 nan 8.240 nan 0.000 0.471 98 F N 4.784 124.730 119.950 -0.006 0.000 2.548 98 F HA 0.163 4.690 4.527 -0.000 0.000 0.403 98 F C 0.268 176.099 175.800 0.050 0.000 1.004 98 F CA -0.513 57.517 58.000 0.050 0.000 1.177 98 F CB -0.343 38.730 39.000 0.122 0.000 0.974 98 F HN 0.549 nan 8.300 nan 0.000 0.541 99 N N 4.363 122.568 118.700 -0.824 0.000 2.277 99 N HA 0.661 5.401 4.740 -0.000 0.000 0.286 99 N C -2.215 172.807 175.510 -0.814 0.000 1.140 99 N CA -1.014 51.592 53.050 -0.740 0.000 0.799 99 N CB 2.294 40.592 38.487 -0.316 0.000 1.596 99 N HN 0.481 nan 8.380 nan 0.000 0.473 100 V N 2.443 122.002 119.914 -0.592 0.000 2.851 100 V HA 0.481 4.600 4.120 -0.000 0.000 0.307 100 V C -0.976 174.998 176.094 -0.201 0.000 1.129 100 V CA -0.641 61.420 62.300 -0.398 0.000 0.932 100 V CB 0.582 32.320 31.823 -0.142 0.000 1.024 100 V HN 0.810 nan 8.190 nan 0.000 0.426 101 F N 4.634 124.511 119.950 -0.121 0.000 3.019 101 F HA -0.160 4.367 4.527 -0.000 0.000 0.259 101 F C 1.587 177.317 175.800 -0.116 0.000 0.976 101 F CA 1.658 59.593 58.000 -0.109 0.000 0.876 101 F CB -1.457 37.485 39.000 -0.098 0.000 0.784 101 F HN 1.306 nan 8.300 nan 0.000 0.786 102 G N -0.116 108.662 108.800 -0.037 0.000 2.198 102 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.260 102 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.260 102 G C -0.151 174.710 174.900 -0.065 0.000 1.025 102 G CA 0.226 45.295 45.100 -0.051 0.000 0.769 102 G HN 0.589 nan 8.290 nan 0.000 0.507 103 L N -0.225 120.935 121.223 -0.105 0.000 2.381 103 L HA 0.769 5.109 4.340 -0.000 0.000 0.268 103 L C 0.016 176.774 176.870 -0.187 0.000 0.997 103 L CA -0.811 53.949 54.840 -0.132 0.000 0.818 103 L CB 2.419 44.398 42.059 -0.135 0.000 1.310 103 L HN 0.150 nan 8.230 nan 0.000 0.416 104 S N -0.053 115.564 115.700 -0.137 0.000 2.627 104 S HA 0.549 5.019 4.470 -0.000 0.000 0.283 104 S C -1.545 173.051 174.600 -0.007 0.000 1.127 104 S CA -0.645 57.537 58.200 -0.029 0.000 0.863 104 S CB 1.644 64.881 63.200 0.062 0.000 1.121 104 S HN 0.382 nan 8.310 nan 0.000 0.479 105 W N 1.501 122.977 121.300 0.294 0.000 2.316 105 W HA 0.261 4.921 4.660 -0.000 0.000 0.321 105 W C 1.851 178.518 176.519 0.247 0.000 1.203 105 W CA -0.385 57.108 57.345 0.246 0.000 1.214 105 W CB 0.639 30.253 29.460 0.256 0.000 1.169 105 W HN 0.907 nan 8.180 nan 0.000 0.561 106 T N -1.757 113.035 114.554 0.396 0.000 2.867 106 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 106 T C 0.048 174.776 174.700 0.046 0.000 1.057 106 T CA 1.653 63.889 62.100 0.228 0.000 1.136 106 T CB -0.324 68.633 68.868 0.147 0.000 0.874 106 T HN 0.535 nan 8.240 nan 0.000 0.466 107 D N -1.242 119.034 120.400 -0.208 0.000 2.946 107 D HA 0.274 4.914 4.640 -0.000 0.000 0.337 107 D C 0.639 176.202 176.300 -1.228 0.000 1.332 107 D CA -0.824 52.599 54.000 -0.962 0.000 0.935 107 D CB 0.340 40.828 40.800 -0.520 0.000 1.440 107 D HN -0.028 nan 8.370 nan 0.000 0.540 108 E N -0.673 118.717 120.200 -1.349 0.000 2.216 108 E HA 0.001 4.351 4.350 -0.000 0.000 0.192 108 E C 1.822 178.154 176.600 -0.446 0.000 0.988 108 E CA 0.816 56.667 56.400 -0.915 0.000 0.834 108 E CB -0.420 28.896 29.700 -0.639 0.000 0.772 108 E HN 0.568 nan 8.360 nan 0.000 0.479 109 G N 0.900 109.488 108.800 -0.354 0.000 2.708 109 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.210 109 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.210 109 G C 0.742 175.560 174.900 -0.137 0.000 1.141 109 G CA 0.017 45.010 45.100 -0.178 0.000 0.788 109 G HN 0.360 nan 8.290 nan 0.000 0.531 110 L N 0.268 121.307 121.223 -0.307 0.000 3.660 110 L HA -0.244 4.096 4.340 -0.000 0.000 0.440 110 L C 1.928 178.967 176.870 0.281 0.000 1.262 110 L CA 0.128 54.688 54.840 -0.468 0.000 0.837 110 L CB -2.269 39.186 42.059 -1.007 0.000 1.689 110 L HN 0.325 nan 8.230 nan 0.000 0.890 111 S N -0.656 115.209 115.700 0.275 0.000 2.345 111 S HA 0.150 4.620 4.470 -0.000 0.000 0.219 111 S C 0.921 175.754 174.600 0.388 0.000 1.031 111 S CA 1.276 59.663 58.200 0.311 0.000 0.984 111 S CB 0.238 63.523 63.200 0.143 0.000 0.874 111 S HN 0.758 nan 8.310 nan 0.000 0.451 112 G N -0.214 108.820 108.800 0.390 0.000 2.690 112 G HA2 0.594 4.554 3.960 -0.000 0.000 0.293 112 G HA3 0.594 4.554 3.960 -0.000 0.000 0.293 112 G C -1.940 173.075 174.900 0.191 0.000 1.399 112 G CA -0.770 44.477 45.100 0.246 0.000 0.890 112 G HN 0.275 nan 8.290 nan 0.000 0.485 113 L N 1.490 122.685 121.223 -0.046 0.000 2.280 113 L HA 0.640 4.979 4.340 -0.000 0.000 0.287 113 L C 0.494 177.304 176.870 -0.101 0.000 1.023 113 L CA -0.889 53.822 54.840 -0.215 0.000 0.819 113 L CB 1.478 43.281 42.059 -0.428 0.000 1.212 113 L HN 0.555 nan 8.230 nan 0.000 0.420 114 V N 0.590 120.472 119.914 -0.054 0.000 3.182 114 V HA 0.859 4.979 4.120 -0.000 0.000 0.311 114 V C 0.263 176.337 176.094 -0.032 0.000 1.221 114 V CA -1.020 61.268 62.300 -0.020 0.000 1.060 114 V CB 1.652 33.492 31.823 0.029 0.000 1.164 114 V HN 0.701 nan 8.190 nan 0.000 0.466 115 A N 0.666 123.475 122.820 -0.017 0.000 2.488 115 A HA 0.725 5.045 4.320 -0.000 0.000 0.249 115 A C 0.626 178.199 177.584 -0.018 0.000 1.083 115 A CA 0.256 52.279 52.037 -0.023 0.000 0.768 115 A CB -0.397 18.593 19.000 -0.016 0.000 1.017 115 A HN 2.134 nan 8.150 nan 0.000 0.496 116 A N 2.844 125.641 122.820 -0.037 0.000 2.425 116 A HA 0.417 4.737 4.320 -0.000 0.000 0.249 116 A C 0.428 177.994 177.584 -0.030 0.000 1.084 116 A CA -0.325 51.688 52.037 -0.041 0.000 0.781 116 A CB 0.126 19.078 19.000 -0.081 0.000 1.019 116 A HN 0.795 nan 8.150 nan 0.000 0.490 117 Q N 1.996 121.783 119.800 -0.023 0.000 2.286 117 Q HA 0.143 4.482 4.340 -0.000 0.000 0.265 117 Q C -0.716 175.266 176.000 -0.030 0.000 1.080 117 Q CA 0.280 56.071 55.803 -0.020 0.000 0.906 117 Q CB 0.733 29.462 28.738 -0.014 0.000 1.227 117 Q HN 0.794 nan 8.270 nan 0.000 0.409 118 D N 2.959 123.344 120.400 -0.027 0.000 2.192 118 D HA 0.485 5.125 4.640 -0.000 0.000 0.246 118 D C -2.116 174.170 176.300 -0.025 0.000 1.042 118 D CA -1.895 52.087 54.000 -0.030 0.000 0.847 118 D CB 0.507 41.289 40.800 -0.029 0.000 1.186 118 D HN 0.080 nan 8.370 nan 0.000 0.461 119 P HA 0.234 nan 4.420 nan 0.000 0.268 119 P C -2.445 174.830 177.300 -0.040 0.000 1.205 119 P CA -0.844 62.235 63.100 -0.034 0.000 0.771 119 P CB -0.441 31.241 31.700 -0.030 0.000 0.858 120 P HA -0.110 nan 4.420 nan 0.000 0.261 120 P C -1.861 175.406 177.300 -0.055 0.000 1.158 120 P CA -0.475 62.586 63.100 -0.065 0.000 0.758 120 P CB -0.220 31.431 31.700 -0.082 0.000 0.763 121 P HA -0.179 nan 4.420 nan 0.000 0.211 121 P C 0.576 177.849 177.300 -0.044 0.000 1.181 121 P CA 1.914 64.985 63.100 -0.048 0.000 0.929 121 P CB -0.052 31.615 31.700 -0.055 0.000 0.789 122 A N -1.358 121.435 122.820 -0.045 0.000 2.326 122 A HA 0.680 5.000 4.320 -0.000 0.000 0.303 122 A C -0.055 177.503 177.584 -0.043 0.000 1.164 122 A CA -0.212 51.805 52.037 -0.033 0.000 0.929 122 A CB -0.151 18.840 19.000 -0.015 0.000 1.363 122 A HN 0.231 nan 8.150 nan 0.000 0.498 123 A N 0.735 123.536 122.820 -0.032 0.000 2.586 123 A HA 0.457 4.777 4.320 -0.000 0.000 0.231 123 A C -2.104 175.437 177.584 -0.071 0.000 1.055 123 A CA -0.278 51.732 52.037 -0.044 0.000 0.756 123 A CB -0.855 18.131 19.000 -0.025 0.000 0.988 123 A HN 0.567 nan 8.150 nan 0.000 0.509 124 P HA 0.161 nan 4.420 nan 0.000 0.278 124 P C -0.755 176.469 177.300 -0.128 0.000 1.238 124 P CA -0.098 62.898 63.100 -0.172 0.000 0.794 124 P CB 0.392 31.965 31.700 -0.212 0.000 0.955 125 Y N 2.546 122.677 120.300 -0.282 0.000 2.511 125 Y HA 0.026 4.576 4.550 -0.000 0.000 0.332 125 Y C 0.371 176.185 175.900 -0.144 0.000 1.177 125 Y CA 0.402 58.426 58.100 -0.126 0.000 1.422 125 Y CB 0.390 38.858 38.460 0.013 0.000 1.271 125 Y HN 0.260 nan 8.280 nan 0.000 0.550 126 Q N 8.267 127.660 119.800 -0.678 0.000 2.465 126 Q HA 0.305 4.645 4.340 -0.000 0.000 0.237 126 Q C -2.308 173.159 176.000 -0.888 0.000 1.051 126 Q CA -2.150 53.270 55.803 -0.638 0.000 0.874 126 Q CB 0.577 29.143 28.738 -0.288 0.000 1.207 126 Q HN 0.589 nan 8.270 nan 0.000 0.508 127 P HA -0.077 nan 4.420 nan 0.000 0.264 127 P C -0.843 176.540 177.300 0.138 0.000 1.173 127 P CA 0.513 63.493 63.100 -0.200 0.000 0.761 127 P CB 0.590 32.325 31.700 0.058 0.000 0.794 128 A N 2.453 125.399 122.820 0.210 0.000 2.306 128 A HA 0.562 4.882 4.320 -0.000 0.000 0.330 128 A C 0.072 177.626 177.584 -0.051 0.000 1.146 128 A CA -0.389 51.731 52.037 0.140 0.000 0.827 128 A CB 0.858 19.908 19.000 0.082 0.000 1.178 128 A HN 0.439 nan 8.150 nan 0.000 0.490 129 S N 1.273 116.663 115.700 -0.517 0.000 2.438 129 S HA 0.490 4.959 4.470 -0.000 0.000 0.293 129 S C 0.427 174.702 174.600 -0.541 0.000 1.141 129 S CA 0.521 58.141 58.200 -0.966 0.000 1.080 129 S CB 0.047 62.283 63.200 -1.608 0.000 0.978 129 S HN 2.506 nan 8.310 nan 0.000 0.479 130 A N 2.798 125.248 122.820 -0.617 0.000 2.648 130 A HA -0.154 4.166 4.320 -0.000 0.000 0.297 130 A C 0.014 177.240 177.584 -0.598 0.000 1.467 130 A CA 1.111 52.644 52.037 -0.841 0.000 0.731 130 A CB -2.257 16.535 19.000 -0.345 0.000 1.085 130 A HN 0.984 nan 8.150 nan 0.000 0.437 131 Q N -0.917 118.517 119.800 -0.611 0.000 2.340 131 Q HA 0.609 4.949 4.340 -0.000 0.000 0.268 131 Q C -0.588 175.321 176.000 -0.151 0.000 1.031 131 Q CA -0.537 55.152 55.803 -0.191 0.000 0.804 131 Q CB 0.866 29.585 28.738 -0.032 0.000 1.286 131 Q HN 0.562 nan 8.270 nan 0.000 0.448 132 W N 2.261 123.690 121.300 0.216 0.000 2.304 132 W HA 0.416 5.076 4.660 -0.000 0.000 0.313 132 W C -0.111 176.532 176.519 0.206 0.000 1.323 132 W CA -0.214 57.263 57.345 0.221 0.000 1.223 132 W CB 1.244 30.799 29.460 0.158 0.000 1.237 132 W HN 0.436 nan 8.180 nan 0.000 0.535 133 S N 2.159 118.168 115.700 0.515 0.000 2.503 133 S HA 0.122 4.592 4.470 -0.000 0.000 0.301 133 S C -1.018 173.828 174.600 0.410 0.000 1.087 133 S CA -0.820 57.627 58.200 0.413 0.000 1.042 133 S CB 1.485 64.919 63.200 0.390 0.000 1.043 133 S HN 0.369 nan 8.310 nan 0.000 0.489 134 D N 2.212 122.792 120.400 0.299 0.000 2.347 134 D HA 0.227 4.867 4.640 -0.000 0.000 0.235 134 D C 0.857 177.318 176.300 0.269 0.000 1.149 134 D CA -0.348 53.809 54.000 0.261 0.000 0.850 134 D CB 0.619 41.529 40.800 0.184 0.000 1.061 134 D HN 0.425 nan 8.370 nan 0.000 0.487 135 L N 3.423 124.837 121.223 0.318 0.000 2.376 135 L HA -0.052 4.288 4.340 -0.000 0.000 0.219 135 L C 2.094 179.184 176.870 0.366 0.000 1.133 135 L CA 0.427 55.488 54.840 0.368 0.000 0.816 135 L CB -0.035 42.231 42.059 0.345 0.000 0.933 135 L HN 0.441 nan 8.230 nan 0.000 0.449 136 L N -0.218 121.146 121.223 0.235 0.000 2.552 136 L HA -0.069 4.270 4.340 -0.000 0.000 0.227 136 L C 1.849 178.813 176.870 0.157 0.000 1.146 136 L CA 0.082 55.027 54.840 0.176 0.000 0.858 136 L CB -0.490 41.642 42.059 0.121 0.000 0.969 136 L HN 0.336 nan 8.230 nan 0.000 0.451 137 N N -0.323 118.476 118.700 0.165 0.000 2.364 137 N HA -0.190 4.550 4.740 -0.000 0.000 0.183 137 N C 0.437 176.022 175.510 0.124 0.000 1.022 137 N CA 0.744 53.868 53.050 0.123 0.000 0.883 137 N CB -0.164 38.393 38.487 0.117 0.000 0.965 137 N HN 0.196 nan 8.380 nan 0.000 0.438 138 Y N 2.319 122.598 120.300 -0.035 0.000 2.531 138 Y HA 0.152 4.702 4.550 -0.000 0.000 0.347 138 Y C -1.536 174.287 175.900 -0.129 0.000 1.024 138 Y CA -2.481 55.506 58.100 -0.187 0.000 1.306 138 Y CB 1.006 39.181 38.460 -0.474 0.000 1.149 138 Y HN 0.014 nan 8.280 nan 0.000 0.527 139 P HA -0.170 nan 4.420 nan 0.000 0.218 139 P C 1.465 178.567 177.300 -0.331 0.000 1.149 139 P CA 1.535 64.465 63.100 -0.283 0.000 0.817 139 P CB 0.152 31.700 31.700 -0.253 0.000 0.785 140 R N -1.161 118.968 120.500 -0.619 0.000 2.120 140 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 140 R C 1.686 177.933 176.300 -0.088 0.000 1.123 140 R CA 1.520 57.371 56.100 -0.414 0.000 0.975 140 R CB -0.490 29.456 30.300 -0.591 0.000 0.866 140 R HN 0.168 nan 8.270 nan 0.000 0.446 141 W N 0.020 121.187 121.300 -0.222 0.000 2.443 141 W HA 0.216 4.876 4.660 -0.000 0.000 0.296 141 W C 2.350 178.765 176.519 -0.174 0.000 1.202 141 W CA 0.446 57.697 57.345 -0.157 0.000 1.312 141 W CB -1.082 28.335 29.460 -0.073 0.000 1.120 141 W HN 0.238 nan 8.180 nan 0.000 0.536 142 A N 0.903 123.769 122.820 0.076 0.000 1.917 142 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 142 A C 1.821 179.389 177.584 -0.027 0.000 1.182 142 A CA 2.240 54.280 52.037 0.005 0.000 0.633 142 A CB -1.093 17.906 19.000 -0.001 0.000 0.819 142 A HN 0.496 nan 8.150 nan 0.000 0.448 143 N N -1.039 117.635 118.700 -0.044 0.000 2.197 143 N HA -0.009 4.731 4.740 -0.000 0.000 0.184 143 N C 0.281 175.761 175.510 -0.049 0.000 1.030 143 N CA 0.425 53.444 53.050 -0.053 0.000 0.851 143 N CB 0.011 38.455 38.487 -0.072 0.000 1.003 143 N HN 0.304 nan 8.380 nan 0.000 0.430 144 R N 1.335 121.811 120.500 -0.040 0.000 2.369 144 R HA 0.251 4.591 4.340 -0.000 0.000 0.310 144 R C 0.284 176.544 176.300 -0.068 0.000 1.141 144 R CA -0.296 55.778 56.100 -0.044 0.000 1.116 144 R CB 1.194 31.474 30.300 -0.033 0.000 1.135 144 R HN 0.062 nan 8.270 nan 0.000 0.529 145 R N 1.797 122.235 120.500 -0.103 0.000 2.119 145 R HA 0.023 4.363 4.340 -0.000 0.000 0.222 145 R C 1.587 177.757 176.300 -0.218 0.000 1.088 145 R CA 1.404 57.399 56.100 -0.175 0.000 0.984 145 R CB 0.127 30.348 30.300 -0.131 0.000 0.884 145 R HN 0.414 nan 8.270 nan 0.000 0.447 146 R N -0.024 120.384 120.500 -0.153 0.000 2.148 146 R HA -0.050 4.290 4.340 -0.000 0.000 0.227 146 R C 1.844 178.023 176.300 -0.202 0.000 1.103 146 R CA 1.301 57.310 56.100 -0.152 0.000 0.983 146 R CB -0.112 30.128 30.300 -0.100 0.000 0.874 146 R HN 0.363 nan 8.270 nan 0.000 0.451 147 E N 0.514 120.595 120.200 -0.199 0.000 2.153 147 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 147 E C 1.774 178.063 176.600 -0.518 0.000 0.988 147 E CA 0.852 57.113 56.400 -0.233 0.000 0.811 147 E CB 0.022 29.689 29.700 -0.054 0.000 0.746 147 E HN 0.099 nan 8.360 nan 0.000 0.466 148 L N 1.044 121.824 121.223 -0.737 0.000 2.095 148 L HA -0.114 4.226 4.340 -0.000 0.000 0.204 148 L C 2.024 178.486 176.870 -0.682 0.000 1.080 148 L CA 1.644 55.802 54.840 -1.137 0.000 0.759 148 L CB -0.316 40.987 42.059 -1.260 0.000 0.914 148 L HN -0.018 nan 8.230 nan 0.000 0.439 149 Q N -1.162 118.364 119.800 -0.458 0.000 2.135 149 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 149 Q C 2.408 178.312 176.000 -0.161 0.000 0.981 149 Q CA 1.789 57.466 55.803 -0.210 0.000 0.856 149 Q CB -0.273 28.384 28.738 -0.134 0.000 0.902 149 Q HN 0.594 nan 8.270 nan 0.000 0.425 150 S N 0.604 116.163 115.700 -0.234 0.000 2.359 150 S HA -0.220 4.250 4.470 -0.000 0.000 0.223 150 S C 1.658 176.109 174.600 -0.248 0.000 1.039 150 S CA 1.577 59.647 58.200 -0.216 0.000 1.042 150 S CB 0.012 63.065 63.200 -0.246 0.000 0.915 150 S HN 0.271 nan 8.310 nan 0.000 0.439 151 K N -1.155 118.985 120.400 -0.433 0.000 2.305 151 K HA 0.031 4.351 4.320 -0.000 0.000 0.199 151 K C 1.891 178.326 176.600 -0.274 0.000 1.047 151 K CA 0.688 56.652 56.287 -0.538 0.000 0.976 151 K CB -0.255 31.552 32.500 -1.154 0.000 0.765 151 K HN 0.433 nan 8.250 nan 0.000 0.474 152 Y N 2.293 122.402 120.300 -0.319 0.000 2.165 152 Y HA -0.139 4.411 4.550 -0.000 0.000 0.286 152 Y C -1.157 174.740 175.900 -0.006 0.000 1.155 152 Y CA 0.925 58.944 58.100 -0.135 0.000 1.164 152 Y CB -0.868 37.579 38.460 -0.021 0.000 0.978 152 Y HN 0.019 nan 8.280 nan 0.000 0.513 153 P HA -0.219 nan 4.420 nan 0.000 0.216 153 P C 1.800 179.060 177.300 -0.066 0.000 1.153 153 P CA 1.481 64.539 63.100 -0.071 0.000 0.858 153 P CB -0.098 31.592 31.700 -0.016 0.000 0.789 154 L N -1.243 119.967 121.223 -0.021 0.000 2.027 154 L HA -0.110 4.230 4.340 -0.000 0.000 0.206 154 L C 2.278 179.153 176.870 0.009 0.000 1.074 154 L CA 1.711 56.590 54.840 0.065 0.000 0.745 154 L CB -1.276 40.882 42.059 0.166 0.000 0.898 154 L HN -0.129 nan 8.230 nan 0.000 0.433 155 L N -1.648 119.507 121.223 -0.113 0.000 2.093 155 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 155 L C 2.387 179.283 176.870 0.043 0.000 1.085 155 L CA 0.717 55.557 54.840 -0.000 0.000 0.755 155 L CB -0.671 41.400 42.059 0.020 0.000 0.904 155 L HN 0.289 nan 8.230 nan 0.000 0.435 156 L N 0.196 121.232 121.223 -0.312 0.000 2.093 156 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 156 L C 2.737 179.606 176.870 -0.002 0.000 1.085 156 L CA 1.519 56.215 54.840 -0.240 0.000 0.755 156 L CB -0.587 41.208 42.059 -0.440 0.000 0.904 156 L HN 0.128 nan 8.230 nan 0.000 0.435 157 R N -1.058 119.458 120.500 0.027 0.000 2.103 157 R HA -0.183 4.156 4.340 -0.000 0.000 0.242 157 R C 2.184 178.562 176.300 0.130 0.000 1.142 157 R CA 1.977 58.135 56.100 0.097 0.000 0.960 157 R CB -0.288 30.081 30.300 0.116 0.000 0.858 157 R HN 0.427 nan 8.270 nan 0.000 0.439 158 S N -0.474 115.340 115.700 0.191 0.000 2.355 158 S HA -0.097 4.373 4.470 -0.000 0.000 0.222 158 S C 1.829 176.451 174.600 0.037 0.000 1.031 158 S CA 1.616 59.938 58.200 0.203 0.000 0.993 158 S CB -0.237 63.258 63.200 0.492 0.000 0.859 158 S HN 0.478 nan 8.310 nan 0.000 0.453 159 T N 3.101 117.627 114.554 -0.046 0.000 2.635 159 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 159 T C 1.736 176.446 174.700 0.016 0.000 1.040 159 T CA 1.321 63.327 62.100 -0.157 0.000 1.156 159 T CB -0.546 68.255 68.868 -0.112 0.000 0.863 159 T HN 0.249 nan 8.240 nan 0.000 0.430 160 L N 0.029 121.316 121.223 0.107 0.000 2.093 160 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 160 L C 2.428 179.320 176.870 0.035 0.000 1.085 160 L CA 0.629 55.547 54.840 0.130 0.000 0.755 160 L CB -0.475 41.687 42.059 0.171 0.000 0.904 160 L HN 0.199 nan 8.230 nan 0.000 0.435 161 L N -0.786 120.462 121.223 0.042 0.000 2.056 161 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 161 L C 2.574 179.478 176.870 0.057 0.000 1.078 161 L CA 1.652 56.506 54.840 0.023 0.000 0.749 161 L CB -0.340 41.761 42.059 0.071 0.000 0.901 161 L HN 0.080 nan 8.230 nan 0.000 0.433 162 S N -0.287 115.458 115.700 0.074 0.000 2.383 162 S HA -0.098 4.372 4.470 -0.000 0.000 0.227 162 S C 2.054 176.776 174.600 0.203 0.000 1.026 162 S CA 0.991 59.253 58.200 0.104 0.000 0.981 162 S CB -0.503 62.671 63.200 -0.043 0.000 0.818 162 S HN 0.634 nan 8.310 nan 0.000 0.472 163 A N 1.393 124.291 122.820 0.129 0.000 1.968 163 A HA 0.145 4.465 4.320 -0.000 0.000 0.217 163 A C 1.050 178.579 177.584 -0.091 0.000 1.169 163 A CA 0.785 52.791 52.037 -0.052 0.000 0.638 163 A CB -0.309 18.648 19.000 -0.071 0.000 0.812 163 A HN 0.319 nan 8.150 nan 0.000 0.446 164 M N -0.096 119.448 119.600 -0.093 0.000 2.239 164 M HA 0.129 4.609 4.480 -0.000 0.000 0.348 164 M C 1.314 177.572 176.300 -0.070 0.000 1.239 164 M CA 0.104 55.325 55.300 -0.132 0.000 1.114 164 M CB 0.423 32.933 32.600 -0.150 0.000 1.641 164 M HN 0.408 nan 8.290 nan 0.000 0.453 165 R N 1.559 122.013 120.500 -0.077 0.000 2.115 165 R HA 0.024 4.364 4.340 -0.000 0.000 0.230 165 R C 0.746 177.028 176.300 -0.029 0.000 1.111 165 R CA 1.526 57.603 56.100 -0.037 0.000 0.976 165 R CB 0.364 30.641 30.300 -0.037 0.000 0.870 165 R HN 0.822 nan 8.270 nan 0.000 0.445 166 A N -0.853 121.922 122.820 -0.074 0.000 3.426 166 A HA 0.569 4.889 4.320 -0.000 0.000 0.185 166 A C 0.301 177.757 177.584 -0.213 0.000 1.057 166 A CA 0.005 51.993 52.037 -0.082 0.000 1.261 166 A CB -0.540 18.395 19.000 -0.108 0.000 1.676 166 A HN 0.320 nan 8.150 nan 0.000 0.658 167 G N -0.294 108.232 108.800 -0.456 0.000 2.588 167 G HA2 0.517 4.477 3.960 -0.000 0.000 0.281 167 G HA3 0.517 4.477 3.960 -0.000 0.000 0.281 167 G C -2.602 171.856 174.900 -0.737 0.000 1.236 167 G CA -1.121 43.231 45.100 -1.246 0.000 0.969 167 G HN 0.461 nan 8.290 nan 0.000 0.504 168 P HA 0.174 nan 4.420 nan 0.000 0.271 168 P C -0.252 177.123 177.300 0.125 0.000 1.218 168 P CA -0.235 62.721 63.100 -0.239 0.000 0.780 168 P CB 1.488 33.072 31.700 -0.192 0.000 0.901 169 V N 4.129 124.108 119.914 0.109 0.000 2.567 169 V HA 0.285 4.405 4.120 -0.000 0.000 0.289 169 V C -0.001 176.222 176.094 0.214 0.000 1.049 169 V CA -0.696 61.726 62.300 0.203 0.000 0.969 169 V CB 0.561 32.481 31.823 0.161 0.000 0.995 169 V HN 0.289 nan 8.190 nan 0.000 0.471 170 L N 6.138 127.484 121.223 0.206 0.000 2.325 170 L HA 0.452 4.792 4.340 -0.000 0.000 0.278 170 L C -0.919 176.130 176.870 0.298 0.000 1.023 170 L CA -0.732 54.181 54.840 0.122 0.000 0.811 170 L CB 1.609 43.576 42.059 -0.154 0.000 1.249 170 L HN 0.687 nan 8.230 nan 0.000 0.431 171 Y N 3.155 123.568 120.300 0.189 0.000 2.425 171 Y HA 0.428 4.978 4.550 -0.000 0.000 0.347 171 Y C -0.590 175.349 175.900 0.065 0.000 0.976 171 Y CA -0.624 57.589 58.100 0.188 0.000 1.190 171 Y CB 0.947 39.584 38.460 0.295 0.000 1.136 171 Y HN 0.237 nan 8.280 nan 0.000 0.517 172 V N 6.838 126.638 119.914 -0.191 0.000 2.326 172 V HA 0.340 4.460 4.120 -0.000 0.000 0.281 172 V C -0.600 175.530 176.094 0.060 0.000 1.015 172 V CA -0.804 61.488 62.300 -0.014 0.000 0.823 172 V CB 1.230 32.999 31.823 -0.090 0.000 1.009 172 V HN 0.771 nan 8.190 nan 0.000 0.436 173 E N 3.185 123.593 120.200 0.347 0.000 2.256 173 E HA 0.684 5.034 4.350 -0.000 0.000 0.268 173 E C -0.785 176.093 176.600 0.464 0.000 0.877 173 E CA -0.481 56.182 56.400 0.439 0.000 0.757 173 E CB 2.218 32.289 29.700 0.620 0.000 1.183 173 E HN 0.786 nan 8.360 nan 0.000 0.418 174 T N 0.928 115.668 114.554 0.308 0.000 2.863 174 T HA 0.735 5.085 4.350 -0.000 0.000 0.285 174 T C -0.913 173.960 174.700 0.289 0.000 1.009 174 T CA -0.847 61.353 62.100 0.166 0.000 0.989 174 T CB 0.494 69.406 68.868 0.074 0.000 1.004 174 T HN 0.523 nan 8.240 nan 0.000 0.455 175 W N 0.702 122.041 121.300 0.064 0.000 2.950 175 W HA 0.631 5.291 4.660 -0.000 0.000 0.340 175 W C -2.589 173.950 176.519 0.032 0.000 1.139 175 W CA -2.829 54.528 57.345 0.020 0.000 1.188 175 W CB 0.145 29.616 29.460 0.018 0.000 1.426 175 W HN 0.399 nan 8.180 nan 0.000 0.531 176 P HA -0.287 nan 4.420 nan 0.000 0.222 176 P C -0.209 177.103 177.300 0.020 0.000 1.157 176 P CA 2.290 65.430 63.100 0.068 0.000 0.905 176 P CB 0.056 31.805 31.700 0.082 0.000 0.792 177 N N -2.255 116.469 118.700 0.040 0.000 2.707 177 N HA 0.153 4.893 4.740 -0.000 0.000 0.249 177 N C 0.699 176.158 175.510 -0.086 0.000 1.299 177 N CA -0.321 52.712 53.050 -0.028 0.000 0.769 177 N CB 0.854 39.357 38.487 0.027 0.000 1.236 177 N HN 0.086 nan 8.380 nan 0.000 0.524 178 M N -0.185 119.163 119.600 -0.420 0.000 2.059 178 M HA 0.083 4.562 4.480 -0.000 0.000 0.259 178 M C 0.602 176.824 176.300 -0.131 0.000 1.072 178 M CA 1.403 56.293 55.300 -0.684 0.000 1.117 178 M CB -0.599 31.170 32.600 -1.385 0.000 1.320 178 M HN 0.166 nan 8.290 nan 0.000 0.408 179 I N 2.796 123.296 120.570 -0.116 0.000 2.256 179 I HA 0.223 4.392 4.170 -0.000 0.000 0.294 179 I C -0.091 176.089 176.117 0.105 0.000 1.127 179 I CA -0.493 60.816 61.300 0.015 0.000 1.247 179 I CB -0.273 37.645 38.000 -0.137 0.000 1.460 179 I HN 0.419 nan 8.210 nan 0.000 0.511 180 S N 3.321 119.110 115.700 0.148 0.000 2.643 180 S HA 0.851 5.320 4.470 -0.000 0.000 0.270 180 S C 0.143 174.836 174.600 0.156 0.000 1.166 180 S CA -0.228 58.060 58.200 0.147 0.000 0.815 180 S CB 1.374 64.643 63.200 0.115 0.000 1.139 180 S HN 0.930 nan 8.310 nan 0.000 0.472 181 G N 2.256 111.134 108.800 0.130 0.000 2.614 181 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.303 181 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.303 181 G C 0.746 175.725 174.900 0.132 0.000 1.270 181 G CA 0.953 46.122 45.100 0.115 0.000 0.988 181 G HN 1.289 nan 8.290 nan 0.000 0.551 182 R N 0.154 120.725 120.500 0.119 0.000 2.189 182 R HA 0.070 4.410 4.340 -0.000 0.000 0.218 182 R C 2.608 179.017 176.300 0.182 0.000 1.074 182 R CA 1.883 58.056 56.100 0.123 0.000 0.991 182 R CB -0.389 29.956 30.300 0.075 0.000 0.883 182 R HN 0.563 nan 8.270 nan 0.000 0.457 183 L N 1.560 122.906 121.223 0.204 0.000 1.976 183 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 183 L C 2.484 179.622 176.870 0.447 0.000 1.071 183 L CA 2.246 57.272 54.840 0.311 0.000 0.746 183 L CB -1.114 41.132 42.059 0.311 0.000 0.890 183 L HN 0.247 nan 8.230 nan 0.000 0.432 184 A N -0.568 122.453 122.820 0.336 0.000 1.940 184 A HA -0.298 4.022 4.320 -0.000 0.000 0.221 184 A C 1.941 179.700 177.584 0.291 0.000 1.190 184 A CA 2.282 54.510 52.037 0.317 0.000 0.647 184 A CB -1.007 18.158 19.000 0.275 0.000 0.821 184 A HN 0.657 nan 8.150 nan 0.000 0.457 185 D N -2.254 118.289 120.400 0.238 0.000 2.224 185 D HA -0.123 4.517 4.640 -0.000 0.000 0.205 185 D C 1.569 177.974 176.300 0.175 0.000 0.965 185 D CA 1.116 55.221 54.000 0.174 0.000 0.852 185 D CB -0.319 40.563 40.800 0.137 0.000 0.947 185 D HN 0.833 nan 8.370 nan 0.000 0.494 186 W N 1.105 122.431 121.300 0.044 0.000 2.408 186 W HA -0.107 4.553 4.660 -0.000 0.000 0.311 186 W C 1.878 178.348 176.519 -0.083 0.000 1.190 186 W CA 0.849 58.176 57.345 -0.030 0.000 1.321 186 W CB -0.737 28.681 29.460 -0.070 0.000 1.143 186 W HN -0.227 nan 8.180 nan 0.000 0.501 187 F N 0.515 120.282 119.950 -0.305 0.000 2.154 187 F HA -0.307 4.220 4.527 -0.000 0.000 0.301 187 F C 2.493 178.009 175.800 -0.473 0.000 1.087 187 F CA 2.243 59.797 58.000 -0.742 0.000 1.274 187 F CB -1.064 37.255 39.000 -1.134 0.000 1.009 187 F HN -0.059 nan 8.300 nan 0.000 0.485 188 M N 0.352 120.004 119.600 0.087 0.000 2.117 188 M HA -0.185 4.295 4.480 -0.000 0.000 0.262 188 M C 2.464 178.796 176.300 0.054 0.000 1.065 188 M CA 2.056 57.474 55.300 0.196 0.000 1.114 188 M CB -0.881 31.790 32.600 0.117 0.000 1.361 188 M HN 0.108 nan 8.290 nan 0.000 0.408 189 S N -1.014 114.648 115.700 -0.064 0.000 2.507 189 S HA -0.086 4.384 4.470 -0.000 0.000 0.235 189 S C 1.535 176.042 174.600 -0.156 0.000 0.988 189 S CA 0.618 58.763 58.200 -0.093 0.000 0.944 189 S CB -0.505 62.634 63.200 -0.102 0.000 0.762 189 S HN 0.569 nan 8.310 nan 0.000 0.526 190 Q N 0.058 119.690 119.800 -0.280 0.000 2.360 190 Q HA 0.225 4.565 4.340 -0.000 0.000 0.202 190 Q C -0.348 175.589 176.000 -0.107 0.000 0.915 190 Q CA -0.267 55.355 55.803 -0.302 0.000 0.943 190 Q CB -0.386 27.971 28.738 -0.635 0.000 1.064 190 Q HN 0.777 nan 8.270 nan 0.000 0.511 191 Y N 1.592 121.846 120.300 -0.076 0.000 2.916 191 Y HA -0.012 4.538 4.550 -0.000 0.000 0.344 191 Y C 1.438 177.306 175.900 -0.052 0.000 1.282 191 Y CA 1.823 59.923 58.100 -0.000 0.000 1.604 191 Y CB 0.122 38.634 38.460 0.087 0.000 1.207 191 Y HN 0.492 nan 8.280 nan 0.000 0.561 192 G N 3.288 111.697 108.800 -0.651 0.000 2.184 192 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.264 192 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.264 192 G C 0.043 174.782 174.900 -0.269 0.000 0.975 192 G CA 0.125 44.909 45.100 -0.527 0.000 0.642 192 G HN 0.668 nan 8.290 nan 0.000 0.536 193 N N 1.054 119.642 118.700 -0.187 0.000 2.503 193 N HA 0.331 5.071 4.740 -0.000 0.000 0.267 193 N C 0.290 175.800 175.510 -0.000 0.000 1.214 193 N CA -0.230 52.775 53.050 -0.075 0.000 0.959 193 N CB 0.554 39.003 38.487 -0.064 0.000 1.142 193 N HN 0.579 nan 8.380 nan 0.000 0.455 194 N N 1.276 120.013 118.700 0.062 0.000 2.518 194 N HA -0.007 4.733 4.740 -0.000 0.000 0.283 194 N C 0.871 176.514 175.510 0.221 0.000 1.119 194 N CA -0.331 52.825 53.050 0.176 0.000 0.983 194 N CB 0.577 39.142 38.487 0.130 0.000 1.139 194 N HN 0.410 nan 8.380 nan 0.000 0.465 195 F N 3.847 123.882 119.950 0.141 0.000 2.043 195 F HA -0.269 4.258 4.527 -0.000 0.000 0.297 195 F C 1.926 177.644 175.800 -0.136 0.000 1.118 195 F CA 1.774 59.699 58.000 -0.126 0.000 1.202 195 F CB -0.606 38.076 39.000 -0.530 0.000 0.965 195 F HN 0.346 nan 8.300 nan 0.000 0.482 196 V N 0.612 120.348 119.914 -0.297 0.000 2.324 196 V HA -0.359 3.761 4.120 -0.000 0.000 0.250 196 V C 2.155 178.096 176.094 -0.254 0.000 1.060 196 V CA 2.363 64.458 62.300 -0.342 0.000 1.042 196 V CB -0.814 30.954 31.823 -0.091 0.000 0.650 196 V HN 0.385 nan 8.190 nan 0.000 0.450 197 D N -0.796 119.525 120.400 -0.130 0.000 2.234 197 D HA -0.042 4.597 4.640 -0.000 0.000 0.205 197 D C 2.149 178.394 176.300 -0.092 0.000 0.962 197 D CA 1.034 54.985 54.000 -0.082 0.000 0.855 197 D CB -0.006 40.776 40.800 -0.030 0.000 0.951 197 D HN 0.421 nan 8.370 nan 0.000 0.500 198 M N -0.234 119.296 119.600 -0.117 0.000 2.200 198 M HA -0.094 4.386 4.480 -0.000 0.000 0.265 198 M C 2.430 178.662 176.300 -0.113 0.000 1.066 198 M CA 0.708 55.963 55.300 -0.075 0.000 1.127 198 M CB -0.025 32.563 32.600 -0.019 0.000 1.379 198 M HN 0.050 nan 8.290 nan 0.000 0.420 199 C N 0.350 119.461 119.300 -0.316 0.000 2.429 199 C HA -0.099 4.361 4.460 -0.000 0.000 0.277 199 C C 3.086 177.966 174.990 -0.184 0.000 1.262 199 C CA 1.143 59.963 59.018 -0.331 0.000 1.733 199 C CB -1.225 26.165 27.740 -0.583 0.000 2.010 199 C HN 0.640 nan 8.230 nan 0.000 0.483 200 A N 0.090 122.816 122.820 -0.158 0.000 1.902 200 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 200 A C 2.277 179.825 177.584 -0.060 0.000 1.181 200 A CA 1.614 53.595 52.037 -0.093 0.000 0.623 200 A CB -0.605 18.351 19.000 -0.073 0.000 0.818 200 A HN 0.645 nan 8.150 nan 0.000 0.443 201 R N -0.787 119.690 120.500 -0.038 0.000 2.081 201 R HA -0.016 4.324 4.340 -0.000 0.000 0.235 201 R C 2.083 178.377 176.300 -0.010 0.000 1.131 201 R CA 1.340 57.439 56.100 -0.001 0.000 0.960 201 R CB -0.357 29.968 30.300 0.040 0.000 0.856 201 R HN 0.548 nan 8.270 nan 0.000 0.436 202 L N -0.282 120.934 121.223 -0.012 0.000 2.046 202 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 202 L C 2.269 179.048 176.870 -0.152 0.000 1.077 202 L CA 1.472 56.270 54.840 -0.070 0.000 0.747 202 L CB -0.351 41.680 42.059 -0.045 0.000 0.896 202 L HN 0.280 nan 8.230 nan 0.000 0.432 203 T N -1.357 113.128 114.554 -0.115 0.000 2.720 203 T HA -0.287 4.063 4.350 -0.000 0.000 0.268 203 T C 1.753 176.388 174.700 -0.109 0.000 1.037 203 T CA 1.568 63.602 62.100 -0.109 0.000 1.144 203 T CB -0.121 68.701 68.868 -0.077 0.000 0.864 203 T HN 0.217 nan 8.240 nan 0.000 0.444 204 Q N 1.468 121.217 119.800 -0.085 0.000 2.046 204 Q HA -0.050 4.290 4.340 -0.000 0.000 0.200 204 Q C 2.296 178.237 176.000 -0.098 0.000 0.975 204 Q CA 1.874 57.636 55.803 -0.067 0.000 0.836 204 Q CB -0.408 28.309 28.738 -0.036 0.000 0.896 204 Q HN 0.569 nan 8.270 nan 0.000 0.428 205 S N -1.909 113.714 115.700 -0.128 0.000 2.660 205 S HA 0.006 4.476 4.470 -0.000 0.000 0.223 205 S C 1.329 175.657 174.600 -0.453 0.000 0.963 205 S CA 0.348 58.442 58.200 -0.178 0.000 0.932 205 S CB -0.417 62.741 63.200 -0.071 0.000 0.775 205 S HN 0.451 nan 8.310 nan 0.000 0.531 206 C N 2.043 121.089 119.300 -0.423 0.000 3.038 206 C HA 0.361 4.821 4.460 -0.000 0.000 0.279 206 C C 2.638 177.483 174.990 -0.240 0.000 1.276 206 C CA 0.146 58.879 59.018 -0.475 0.000 1.697 206 C CB -1.207 26.292 27.740 -0.402 0.000 2.032 206 C HN 0.838 nan 8.230 nan 0.000 0.636 207 S N 2.354 117.955 115.700 -0.164 0.000 2.489 207 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 207 S C 1.618 176.172 174.600 -0.076 0.000 0.995 207 S CA 1.352 59.496 58.200 -0.094 0.000 0.934 207 S CB -0.484 62.682 63.200 -0.056 0.000 0.771 207 S HN 0.760 nan 8.310 nan 0.000 0.522 208 N N 1.960 120.613 118.700 -0.079 0.000 2.043 208 N HA -0.141 4.599 4.740 -0.000 0.000 0.193 208 N C 1.019 176.497 175.510 -0.054 0.000 1.037 208 N CA 1.557 54.577 53.050 -0.049 0.000 0.851 208 N CB -0.810 37.667 38.487 -0.018 0.000 1.027 208 N HN 0.406 nan 8.380 nan 0.000 0.422 209 M N -2.387 117.172 119.600 -0.068 0.000 2.965 209 M HA -0.091 4.389 4.480 -0.000 0.000 0.213 209 M C -2.596 173.690 176.300 -0.023 0.000 0.564 209 M CA -0.015 55.250 55.300 -0.058 0.000 0.784 209 M CB -1.907 30.651 32.600 -0.069 0.000 2.816 209 M HN 0.168 nan 8.290 nan 0.000 0.409 210 P HA 0.421 nan 4.420 nan 0.000 0.268 210 P C -0.853 176.492 177.300 0.074 0.000 1.541 210 P CA -0.004 63.113 63.100 0.029 0.000 1.093 210 P CB 0.376 32.097 31.700 0.035 0.000 1.551 211 V N 3.945 123.885 119.914 0.043 0.000 2.325 211 V HA 0.203 4.323 4.120 -0.000 0.000 0.280 211 V C 0.282 176.386 176.094 0.017 0.000 1.016 211 V CA -0.617 61.720 62.300 0.062 0.000 0.818 211 V CB 1.329 33.167 31.823 0.025 0.000 1.019 211 V HN 0.312 nan 8.190 nan 0.000 0.434 212 E N 5.447 125.650 120.200 0.006 0.000 2.313 212 E HA 0.329 4.679 4.350 -0.000 0.000 0.272 212 E C -2.121 174.454 176.600 -0.042 0.000 1.038 212 E CA -2.523 53.863 56.400 -0.024 0.000 0.863 212 E CB 1.471 31.151 29.700 -0.033 0.000 1.060 212 E HN 0.283 nan 8.360 nan 0.000 0.402 213 P HA 0.018 nan 4.420 nan 0.000 0.299 213 P C -0.347 176.894 177.300 -0.098 0.000 1.515 213 P CA 0.878 63.931 63.100 -0.078 0.000 0.770 213 P CB 0.164 31.819 31.700 -0.076 0.000 1.614 214 D N -2.919 117.423 120.400 -0.096 0.000 3.007 214 D HA 0.031 4.671 4.640 -0.000 0.000 0.345 214 D C 0.868 177.106 176.300 -0.103 0.000 1.445 214 D CA 0.029 53.953 54.000 -0.125 0.000 0.940 214 D CB 0.092 40.809 40.800 -0.139 0.000 1.707 214 D HN 0.087 nan 8.370 nan 0.000 0.377 215 G N 0.292 109.041 108.800 -0.085 0.000 2.570 215 G HA2 0.054 4.014 3.960 -0.000 0.000 0.276 215 G HA3 0.054 4.014 3.960 -0.000 0.000 0.276 215 G C 1.061 175.888 174.900 -0.121 0.000 1.346 215 G CA -0.133 44.909 45.100 -0.097 0.000 1.034 215 G HN 0.080 nan 8.290 nan 0.000 0.512 216 N N -1.344 117.235 118.700 -0.201 0.000 2.069 216 N HA -0.173 4.567 4.740 -0.000 0.000 0.191 216 N C 1.887 177.235 175.510 -0.270 0.000 1.031 216 N CA 1.524 54.413 53.050 -0.268 0.000 0.852 216 N CB -0.211 38.042 38.487 -0.389 0.000 1.018 216 N HN 0.503 nan 8.380 nan 0.000 0.423 217 Y N 1.074 121.264 120.300 -0.183 0.000 2.145 217 Y HA -0.172 4.378 4.550 -0.000 0.000 0.286 217 Y C 2.295 178.092 175.900 -0.173 0.000 1.145 217 Y CA 1.025 58.997 58.100 -0.212 0.000 1.148 217 Y CB -0.881 37.486 38.460 -0.155 0.000 0.981 217 Y HN 0.117 nan 8.280 nan 0.000 0.507 218 D N -0.381 120.045 120.400 0.042 0.000 2.123 218 D HA -0.185 4.455 4.640 -0.000 0.000 0.196 218 D C 1.909 178.205 176.300 -0.006 0.000 0.992 218 D CA 1.619 55.608 54.000 -0.018 0.000 0.833 218 D CB -0.099 40.668 40.800 -0.056 0.000 0.954 218 D HN 0.396 nan 8.370 nan 0.000 0.455 219 Q N -0.672 119.125 119.800 -0.005 0.000 2.083 219 Q HA -0.139 4.201 4.340 -0.000 0.000 0.198 219 Q C 2.420 178.532 176.000 0.187 0.000 0.969 219 Q CA 1.042 56.916 55.803 0.118 0.000 0.838 219 Q CB -0.039 28.770 28.738 0.118 0.000 0.900 219 Q HN 0.488 nan 8.270 nan 0.000 0.436 220 Q N 0.058 119.827 119.800 -0.051 0.000 2.050 220 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 220 Q C 2.096 178.076 176.000 -0.033 0.000 0.980 220 Q CA 1.465 57.105 55.803 -0.271 0.000 0.840 220 Q CB -0.085 28.117 28.738 -0.894 0.000 0.898 220 Q HN 0.404 nan 8.270 nan 0.000 0.424 221 M N -0.159 119.439 119.600 -0.004 0.000 2.086 221 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 221 M C 2.223 178.636 176.300 0.189 0.000 1.067 221 M CA 1.545 56.885 55.300 0.067 0.000 1.116 221 M CB -0.254 32.351 32.600 0.008 0.000 1.348 221 M HN 0.110 nan 8.290 nan 0.000 0.407 222 R N -0.003 120.638 120.500 0.235 0.000 2.081 222 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 222 R C 2.298 178.880 176.300 0.469 0.000 1.131 222 R CA 1.540 57.865 56.100 0.375 0.000 0.960 222 R CB -0.400 30.163 30.300 0.437 0.000 0.856 222 R HN 0.381 nan 8.270 nan 0.000 0.436 223 A N 0.862 123.985 122.820 0.505 0.000 1.930 223 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 223 A C 1.995 179.911 177.584 0.553 0.000 1.176 223 A CA 0.650 52.939 52.037 0.421 0.000 0.632 223 A CB -0.326 18.922 19.000 0.414 0.000 0.819 223 A HN 0.218 nan 8.150 nan 0.000 0.445 224 L N 0.314 121.915 121.223 0.630 0.000 2.042 224 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 224 L C 2.156 179.374 176.870 0.579 0.000 1.076 224 L CA 1.810 57.068 54.840 0.697 0.000 0.749 224 L CB -0.581 41.776 42.059 0.497 0.000 0.893 224 L HN 0.438 nan 8.230 nan 0.000 0.432 225 I N -0.678 120.146 120.570 0.423 0.000 2.142 225 I HA -0.307 3.863 4.170 -0.000 0.000 0.240 225 I C 2.513 178.799 176.117 0.283 0.000 1.078 225 I CA 1.666 63.173 61.300 0.344 0.000 1.343 225 I CB -0.572 37.581 38.000 0.256 0.000 1.046 225 I HN 0.450 nan 8.210 nan 0.000 0.405 226 S N 0.666 116.520 115.700 0.257 0.000 2.414 226 S HA -0.088 4.382 4.470 -0.000 0.000 0.227 226 S C 1.932 176.603 174.600 0.118 0.000 1.022 226 S CA 0.341 58.638 58.200 0.161 0.000 0.958 226 S CB -0.643 62.681 63.200 0.206 0.000 0.797 226 S HN 0.286 nan 8.310 nan 0.000 0.493 227 L N 1.334 122.683 121.223 0.210 0.000 1.970 227 L HA 0.007 4.347 4.340 -0.000 0.000 0.212 227 L C 2.252 179.258 176.870 0.227 0.000 1.071 227 L CA 2.101 57.084 54.840 0.238 0.000 0.751 227 L CB -1.420 40.851 42.059 0.353 0.000 0.889 227 L HN 0.590 nan 8.230 nan 0.000 0.432 228 W N -0.211 121.079 121.300 -0.017 0.000 2.333 228 W HA -0.287 4.373 4.660 -0.000 0.000 0.316 228 W C 2.362 178.557 176.519 -0.540 0.000 1.215 228 W CA 2.090 59.083 57.345 -0.588 0.000 1.278 228 W CB -0.708 27.778 29.460 -1.623 0.000 1.154 228 W HN 0.274 nan 8.180 nan 0.000 0.486 229 L N 1.093 121.934 121.223 -0.637 0.000 2.013 229 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 229 L C 2.420 178.928 176.870 -0.604 0.000 1.073 229 L CA 2.203 56.486 54.840 -0.929 0.000 0.753 229 L CB -1.265 40.517 42.059 -0.461 0.000 0.890 229 L HN 0.200 nan 8.230 nan 0.000 0.432 230 L N -1.505 119.523 121.223 -0.326 0.000 2.141 230 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 230 L C 2.445 179.216 176.870 -0.165 0.000 1.094 230 L CA 1.142 55.861 54.840 -0.201 0.000 0.763 230 L CB -0.713 41.293 42.059 -0.088 0.000 0.908 230 L HN 0.207 nan 8.230 nan 0.000 0.437 231 S N -0.906 114.687 115.700 -0.178 0.000 2.370 231 S HA -0.253 4.217 4.470 -0.000 0.000 0.226 231 S C 1.919 176.337 174.600 -0.303 0.000 1.033 231 S CA 1.392 59.535 58.200 -0.095 0.000 1.011 231 S CB -0.451 62.747 63.200 -0.004 0.000 0.852 231 S HN 0.408 nan 8.310 nan 0.000 0.457 232 Y N 2.482 122.178 120.300 -1.006 0.000 2.274 232 Y HA -0.062 4.488 4.550 -0.000 0.000 0.290 232 Y C 1.833 177.482 175.900 -0.417 0.000 1.145 232 Y CA 1.388 58.894 58.100 -0.990 0.000 1.203 232 Y CB -0.228 37.275 38.460 -1.594 0.000 0.984 232 Y HN 0.387 nan 8.280 nan 0.000 0.533 233 I N -3.536 116.873 120.570 -0.268 0.000 3.793 233 I HA 0.383 4.553 4.170 -0.000 0.000 0.315 233 I C 1.651 177.657 176.117 -0.187 0.000 1.275 233 I CA 0.817 61.984 61.300 -0.222 0.000 1.214 233 I CB -0.285 37.614 38.000 -0.167 0.000 1.018 233 I HN 0.220 nan 8.210 nan 0.000 0.439 234 G N 1.907 110.639 108.800 -0.112 0.000 2.205 234 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.261 234 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.261 234 G C 0.936 175.874 174.900 0.064 0.000 0.980 234 G CA 0.833 45.939 45.100 0.009 0.000 0.632 234 G HN 0.687 nan 8.290 nan 0.000 0.533 235 V N -1.729 118.179 119.914 -0.009 0.000 2.427 235 V HA 0.286 4.405 4.120 -0.000 0.000 0.248 235 V C 1.564 177.673 176.094 0.025 0.000 1.051 235 V CA 1.494 63.791 62.300 -0.005 0.000 1.048 235 V CB -0.339 31.454 31.823 -0.049 0.000 0.666 235 V HN 0.562 nan 8.190 nan 0.000 0.456 236 V N 3.896 123.834 119.914 0.041 0.000 2.385 236 V HA 0.507 4.627 4.120 -0.000 0.000 0.269 236 V C -0.130 176.058 176.094 0.158 0.000 1.043 236 V CA 0.361 62.709 62.300 0.080 0.000 0.906 236 V CB 0.080 31.954 31.823 0.085 0.000 0.995 236 V HN 1.035 nan 8.190 nan 0.000 0.467 237 N N 2.538 121.286 118.700 0.081 0.000 3.243 237 N HA 0.202 4.942 4.740 -0.000 0.000 0.280 237 N C 0.457 175.745 175.510 -0.370 0.000 1.545 237 N CA -0.888 52.166 53.050 0.006 0.000 0.854 237 N CB 0.833 39.375 38.487 0.092 0.000 1.612 237 N HN 0.252 nan 8.380 nan 0.000 0.577 238 Q N -0.932 118.409 119.800 -0.766 0.000 2.308 238 Q HA -0.158 4.182 4.340 -0.000 0.000 0.209 238 Q C 0.592 176.295 176.000 -0.494 0.000 0.985 238 Q CA 2.153 57.309 55.803 -1.077 0.000 0.881 238 Q CB -0.277 27.963 28.738 -0.830 0.000 0.917 238 Q HN 0.842 nan 8.270 nan 0.000 0.443 239 T N -3.208 111.169 114.554 -0.295 0.000 3.086 239 T HA 0.100 4.450 4.350 -0.000 0.000 0.250 239 T C 0.191 174.813 174.700 -0.129 0.000 1.074 239 T CA 0.112 62.105 62.100 -0.178 0.000 0.988 239 T CB 0.235 69.032 68.868 -0.118 0.000 0.988 239 T HN 0.073 nan 8.240 nan 0.000 0.530 240 N N 1.818 120.441 118.700 -0.129 0.000 2.751 240 N HA 0.238 4.978 4.740 -0.000 0.000 0.238 240 N C -0.633 174.851 175.510 -0.043 0.000 1.351 240 N CA -0.205 52.804 53.050 -0.068 0.000 0.751 240 N CB 1.318 39.784 38.487 -0.036 0.000 1.342 240 N HN 0.437 nan 8.380 nan 0.000 0.540 241 T N -0.817 113.712 114.554 -0.042 0.000 2.881 241 T HA 0.596 4.946 4.350 -0.000 0.000 0.278 241 T C 0.406 175.132 174.700 0.043 0.000 0.982 241 T CA -0.593 61.526 62.100 0.033 0.000 0.989 241 T CB 0.893 69.778 68.868 0.027 0.000 1.058 241 T HN 0.199 nan 8.240 nan 0.000 0.529 242 I N 1.964 122.586 120.570 0.086 0.000 2.330 242 I HA 0.244 4.414 4.170 -0.000 0.000 0.286 242 I C 0.386 176.571 176.117 0.113 0.000 1.025 242 I CA -0.517 60.816 61.300 0.054 0.000 1.197 242 I CB 1.129 39.132 38.000 0.006 0.000 1.358 242 I HN 0.938 nan 8.210 nan 0.000 0.467 243 S N 4.548 120.302 115.700 0.090 0.000 3.533 243 S HA -0.232 4.238 4.470 -0.000 0.000 0.347 243 S C 1.251 175.954 174.600 0.171 0.000 1.101 243 S CA 0.855 59.146 58.200 0.151 0.000 1.009 243 S CB -1.335 61.995 63.200 0.216 0.000 0.916 243 S HN 1.299 nan 8.310 nan 0.000 0.496 244 G N -1.124 107.687 108.800 0.018 0.000 2.217 244 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.246 244 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.246 244 G C -0.032 174.766 174.900 -0.170 0.000 0.990 244 G CA 0.173 45.120 45.100 -0.256 0.000 0.627 244 G HN 0.619 nan 8.290 nan 0.000 0.522 245 F N 0.783 120.869 119.950 0.226 0.000 2.377 245 F HA 0.738 5.265 4.527 -0.000 0.000 0.328 245 F C 0.508 176.414 175.800 0.177 0.000 1.094 245 F CA -0.216 57.878 58.000 0.158 0.000 1.093 245 F CB 1.136 40.084 39.000 -0.087 0.000 1.214 245 F HN 0.404 nan 8.300 nan 0.000 0.518 246 Y N -0.502 119.890 120.300 0.154 0.000 2.620 246 Y HA 0.602 5.152 4.550 -0.000 0.000 0.331 246 Y C -2.110 173.800 175.900 0.017 0.000 1.173 246 Y CA -2.493 55.670 58.100 0.104 0.000 1.076 246 Y CB 0.358 38.895 38.460 0.129 0.000 1.336 246 Y HN 0.370 nan 8.280 nan 0.000 0.459 247 F N 1.683 121.808 119.950 0.291 0.000 2.397 247 F HA 0.670 5.197 4.527 -0.000 0.000 0.331 247 F C 0.591 176.786 175.800 0.659 0.000 1.090 247 F CA -0.329 57.879 58.000 0.346 0.000 1.065 247 F CB 2.023 41.250 39.000 0.378 0.000 1.184 247 F HN 0.608 nan 8.300 nan 0.000 0.499 248 S N 1.650 117.803 115.700 0.754 0.000 2.521 248 S HA 0.623 5.093 4.470 -0.000 0.000 0.295 248 S C -1.055 173.700 174.600 0.257 0.000 1.098 248 S CA -0.467 58.081 58.200 0.580 0.000 0.999 248 S CB 1.462 64.987 63.200 0.541 0.000 1.034 248 S HN 0.569 nan 8.310 nan 0.000 0.483 249 S N 2.925 118.546 115.700 -0.131 0.000 2.561 249 S HA 0.415 4.884 4.470 -0.000 0.000 0.303 249 S C 0.726 175.220 174.600 -0.177 0.000 1.110 249 S CA -0.723 57.237 58.200 -0.399 0.000 1.034 249 S CB 1.015 63.537 63.200 -1.129 0.000 1.010 249 S HN 0.795 nan 8.310 nan 0.000 0.482 250 K N 1.360 121.695 120.400 -0.108 0.000 2.063 250 K HA -0.053 4.267 4.320 -0.000 0.000 0.208 250 K C 0.964 177.561 176.600 -0.006 0.000 1.048 250 K CA 1.455 57.705 56.287 -0.062 0.000 0.928 250 K CB -0.307 32.174 32.500 -0.031 0.000 0.713 250 K HN 0.782 nan 8.250 nan 0.000 0.442 251 T N -0.845 113.696 114.554 -0.020 0.000 2.952 251 T HA 0.568 4.918 4.350 -0.000 0.000 0.286 251 T C -0.681 174.038 174.700 0.031 0.000 1.024 251 T CA -1.103 61.010 62.100 0.021 0.000 1.029 251 T CB 2.158 71.002 68.868 -0.040 0.000 1.094 251 T HN -0.068 nan 8.240 nan 0.000 0.515 252 R N -0.205 120.312 120.500 0.029 0.000 2.502 252 R HA 0.578 4.918 4.340 -0.000 0.000 0.298 252 R C 0.494 176.749 176.300 -0.075 0.000 1.018 252 R CA 0.522 56.582 56.100 -0.066 0.000 0.899 252 R CB 0.711 30.849 30.300 -0.271 0.000 1.181 252 R HN 1.409 nan 8.270 nan 0.000 0.444 253 G N 2.919 111.692 108.800 -0.045 0.000 2.142 253 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.225 253 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.225 253 G C -0.474 174.413 174.900 -0.022 0.000 1.015 253 G CA 0.523 45.623 45.100 0.000 0.000 0.716 253 G HN 0.783 nan 8.290 nan 0.000 0.508 254 Q N -3.041 116.628 119.800 -0.219 0.000 2.854 254 Q HA 0.847 5.187 4.340 -0.000 0.000 0.331 254 Q C 1.283 176.773 176.000 -0.851 0.000 0.859 254 Q CA 0.118 55.519 55.803 -0.671 0.000 0.787 254 Q CB 0.409 28.953 28.738 -0.324 0.000 1.410 254 Q HN 1.075 nan 8.270 nan 0.000 0.510 255 A N 0.030 122.227 122.820 -1.039 0.000 1.969 255 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 255 A C 1.469 178.915 177.584 -0.231 0.000 1.169 255 A CA 1.213 52.884 52.037 -0.610 0.000 0.635 255 A CB -0.721 18.120 19.000 -0.266 0.000 0.810 255 A HN 0.544 nan 8.150 nan 0.000 0.445 256 L N 0.284 121.392 121.223 -0.191 0.000 2.653 256 L HA 0.142 4.482 4.340 -0.000 0.000 0.232 256 L C -0.693 176.126 176.870 -0.086 0.000 1.169 256 L CA -0.527 54.258 54.840 -0.091 0.000 0.951 256 L CB -0.315 41.705 42.059 -0.066 0.000 1.181 256 L HN 0.060 nan 8.230 nan 0.000 0.460 257 D N 0.727 121.069 120.400 -0.097 0.000 2.450 257 D HA 0.184 4.824 4.640 -0.000 0.000 0.247 257 D C 0.107 176.375 176.300 -0.054 0.000 1.162 257 D CA 0.706 54.646 54.000 -0.099 0.000 0.879 257 D CB 1.038 41.844 40.800 0.009 0.000 1.163 257 D HN -0.074 nan 8.370 nan 0.000 0.472 258 S N 2.040 117.633 115.700 -0.179 0.000 2.546 258 S HA 0.527 4.997 4.470 -0.000 0.000 0.272 258 S C -1.839 172.672 174.600 -0.148 0.000 1.140 258 S CA -0.817 57.361 58.200 -0.036 0.000 0.920 258 S CB 0.467 63.677 63.200 0.018 0.000 1.083 258 S HN 0.379 nan 8.310 nan 0.000 0.476 259 W N 2.619 124.080 121.300 0.268 0.000 2.362 259 W HA 0.470 5.130 4.660 -0.000 0.000 0.316 259 W C -0.080 176.660 176.519 0.368 0.000 1.024 259 W CA -0.446 57.108 57.345 0.349 0.000 1.270 259 W CB 1.896 31.574 29.460 0.364 0.000 1.273 259 W HN 0.418 nan 8.180 nan 0.000 0.424 260 T N 4.137 118.960 114.554 0.447 0.000 2.823 260 T HA 0.356 4.706 4.350 -0.000 0.000 0.279 260 T C -0.870 173.703 174.700 -0.212 0.000 0.998 260 T CA -0.711 61.423 62.100 0.056 0.000 0.994 260 T CB 1.209 69.899 68.868 -0.297 0.000 0.960 260 T HN 0.221 nan 8.240 nan 0.000 0.448 261 L N 4.441 125.395 121.223 -0.448 0.000 2.369 261 L HA 0.527 4.867 4.340 -0.000 0.000 0.279 261 L C -1.398 174.829 176.870 -1.071 0.000 1.108 261 L CA 0.282 54.599 54.840 -0.872 0.000 0.852 261 L CB -0.646 41.002 42.059 -0.684 0.000 1.169 261 L HN 0.449 nan 8.230 nan 0.000 0.452 262 F N 4.645 124.160 119.950 -0.726 0.000 2.631 262 F HA 0.550 5.077 4.527 -0.000 0.000 0.350 262 F C -0.838 174.777 175.800 -0.308 0.000 1.080 262 F CA -0.611 56.960 58.000 -0.716 0.000 1.026 262 F CB 1.249 39.834 39.000 -0.691 0.000 1.347 262 F HN 0.349 nan 8.300 nan 0.000 0.501 263 Y N 0.550 121.005 120.300 0.258 0.000 2.401 263 Y HA 0.471 5.021 4.550 -0.000 0.000 0.330 263 Y C -0.549 175.459 175.900 0.181 0.000 1.071 263 Y CA -0.968 57.194 58.100 0.103 0.000 1.049 263 Y CB 1.362 39.786 38.460 -0.059 0.000 1.239 263 Y HN 0.679 nan 8.280 nan 0.000 0.437 264 T N 0.566 114.788 114.554 -0.552 0.000 2.945 264 T HA 0.487 4.837 4.350 -0.000 0.000 0.286 264 T C 0.239 174.409 174.700 -0.882 0.000 1.025 264 T CA -0.114 61.680 62.100 -0.510 0.000 1.039 264 T CB 1.896 70.626 68.868 -0.229 0.000 1.068 264 T HN 0.619 nan 8.240 nan 0.000 0.497 265 T N 1.167 115.461 114.554 -0.435 0.000 3.046 265 T HA 0.051 4.401 4.350 -0.000 0.000 0.242 265 T C 1.890 176.483 174.700 -0.178 0.000 1.018 265 T CA 0.455 62.395 62.100 -0.268 0.000 1.131 265 T CB -0.198 68.605 68.868 -0.109 0.000 0.904 265 T HN 0.805 nan 8.240 nan 0.000 0.459 266 N N 2.470 121.079 118.700 -0.152 0.000 2.354 266 N HA -0.029 4.711 4.740 -0.000 0.000 0.179 266 N C 0.998 176.440 175.510 -0.113 0.000 1.021 266 N CA 0.556 53.540 53.050 -0.110 0.000 0.887 266 N CB -0.943 37.490 38.487 -0.090 0.000 0.974 266 N HN 0.501 nan 8.380 nan 0.000 0.437 267 T N -1.726 112.741 114.554 -0.145 0.000 2.918 267 T HA 0.243 4.593 4.350 -0.000 0.000 0.283 267 T C 0.192 174.820 174.700 -0.120 0.000 1.001 267 T CA -0.998 61.021 62.100 -0.136 0.000 1.041 267 T CB 1.144 69.908 68.868 -0.172 0.000 1.028 267 T HN 0.082 nan 8.240 nan 0.000 0.511 268 N N 0.825 119.467 118.700 -0.096 0.000 2.292 268 N HA 0.020 4.760 4.740 -0.000 0.000 0.242 268 N C -0.585 174.885 175.510 -0.067 0.000 1.243 268 N CA 0.304 53.312 53.050 -0.071 0.000 0.851 268 N CB 0.118 38.571 38.487 -0.058 0.000 1.093 268 N HN 0.582 nan 8.380 nan 0.000 0.450 269 R N 1.450 121.923 120.500 -0.045 0.000 2.561 269 R HA 0.366 4.706 4.340 -0.000 0.000 0.297 269 R C -0.685 175.606 176.300 -0.016 0.000 0.969 269 R CA -1.100 54.983 56.100 -0.028 0.000 0.879 269 R CB 1.359 31.646 30.300 -0.022 0.000 1.178 269 R HN 0.472 nan 8.270 nan 0.000 0.445 270 V N 0.499 120.407 119.914 -0.010 0.000 3.051 270 V HA 0.201 4.321 4.120 -0.000 0.000 0.306 270 V C -0.171 175.921 176.094 -0.003 0.000 1.083 270 V CA -0.391 61.905 62.300 -0.007 0.000 1.104 270 V CB 0.849 32.668 31.823 -0.007 0.000 1.027 270 V HN 0.749 nan 8.190 nan 0.000 0.483 271 Q N 3.039 122.840 119.800 0.001 0.000 2.558 271 Q HA 0.557 4.897 4.340 -0.000 0.000 0.252 271 Q C -0.915 175.095 176.000 0.017 0.000 1.015 271 Q CA -0.288 55.519 55.803 0.007 0.000 0.720 271 Q CB 1.515 30.258 28.738 0.008 0.000 1.215 271 Q HN 0.782 nan 8.270 nan 0.000 0.500 272 I N 0.721 121.300 120.570 0.015 0.000 2.556 272 I HA 0.020 4.190 4.170 -0.000 0.000 0.284 272 I C 1.049 177.190 176.117 0.040 0.000 1.114 272 I CA 0.539 61.865 61.300 0.044 0.000 1.418 272 I CB 0.978 38.994 38.000 0.026 0.000 1.394 272 I HN 0.541 nan 8.210 nan 0.000 0.552 273 T N 4.088 118.673 114.554 0.052 0.000 2.958 273 T HA 0.112 4.462 4.350 -0.000 0.000 0.256 273 T C 0.027 174.711 174.700 -0.027 0.000 0.983 273 T CA -0.013 62.098 62.100 0.018 0.000 0.924 273 T CB 0.232 69.116 68.868 0.026 0.000 1.136 273 T HN 0.800 nan 8.240 nan 0.000 0.506 274 Q N -0.228 119.529 119.800 -0.072 0.000 2.648 274 Q HA 0.535 4.875 4.340 -0.000 0.000 0.300 274 Q C -1.069 174.750 176.000 -0.302 0.000 0.954 274 Q CA -1.150 54.535 55.803 -0.197 0.000 0.757 274 Q CB 1.525 30.105 28.738 -0.263 0.000 1.482 274 Q HN -0.022 nan 8.270 nan 0.000 0.437 275 R N 0.617 120.941 120.500 -0.293 0.000 2.543 275 R HA 0.240 4.580 4.340 -0.000 0.000 0.277 275 R C -0.959 175.009 176.300 -0.554 0.000 1.074 275 R CA 0.051 56.010 56.100 -0.235 0.000 1.076 275 R CB 0.549 30.773 30.300 -0.126 0.000 0.993 275 R HN 0.597 nan 8.270 nan 0.000 0.459 276 H N 3.816 122.743 119.070 -0.240 0.000 2.589 276 H HA 0.277 4.833 4.556 -0.000 0.000 0.351 276 H C -1.464 173.549 175.328 -0.525 0.000 1.074 276 H CA -0.505 55.161 56.048 -0.637 0.000 1.203 276 H CB 1.673 30.627 29.762 -1.346 0.000 1.558 276 H HN 0.479 nan 8.280 nan 0.000 0.522 277 F N 1.976 121.698 119.950 -0.380 0.000 2.561 277 F HA 0.633 5.160 4.527 -0.000 0.000 0.313 277 F C -1.483 174.408 175.800 0.152 0.000 1.126 277 F CA -0.464 57.450 58.000 -0.142 0.000 0.918 277 F CB 1.465 40.314 39.000 -0.251 0.000 1.199 277 F HN 0.627 nan 8.300 nan 0.000 0.444 278 A N 4.388 126.658 122.820 -0.918 0.000 2.486 278 A HA 0.659 4.979 4.320 -0.000 0.000 0.300 278 A C -2.354 174.616 177.584 -1.022 0.000 1.048 278 A CA -0.504 51.133 52.037 -0.667 0.000 0.696 278 A CB 0.783 19.736 19.000 -0.078 0.000 1.278 278 A HN 0.637 nan 8.150 nan 0.000 0.405 279 Y N 1.085 121.158 120.300 -0.377 0.000 2.350 279 Y HA 0.471 5.021 4.550 -0.000 0.000 0.340 279 Y C 0.067 176.005 175.900 0.065 0.000 1.006 279 Y CA -0.383 57.683 58.100 -0.056 0.000 1.166 279 Y CB 1.577 40.149 38.460 0.187 0.000 1.168 279 Y HN 0.354 nan 8.280 nan 0.000 0.502 280 V N 4.238 124.298 119.914 0.244 0.000 2.443 280 V HA 0.331 4.451 4.120 -0.000 0.000 0.293 280 V C -0.141 176.176 176.094 0.373 0.000 1.021 280 V CA -1.145 61.306 62.300 0.252 0.000 0.848 280 V CB 0.881 32.794 31.823 0.149 0.000 0.998 280 V HN 0.976 nan 8.190 nan 0.000 0.424 281 C N 2.956 122.449 119.300 0.320 0.000 2.335 281 C HA 0.950 5.410 4.460 -0.000 0.000 0.363 281 C C 0.748 175.847 174.990 0.182 0.000 1.198 281 C CA -0.745 58.456 59.018 0.304 0.000 2.279 281 C CB 0.949 28.730 27.740 0.068 0.000 2.334 281 C HN 1.077 nan 8.230 nan 0.000 0.559 282 A N 1.742 124.472 122.820 -0.151 0.000 2.354 282 A HA 0.460 4.780 4.320 -0.000 0.000 0.281 282 A C 1.345 178.705 177.584 -0.373 0.000 1.174 282 A CA -0.424 51.192 52.037 -0.703 0.000 0.828 282 A CB 0.071 18.320 19.000 -1.252 0.000 1.099 282 A HN 1.085 nan 8.150 nan 0.000 0.516 283 R N 2.283 122.621 120.500 -0.271 0.000 2.062 283 R HA -0.038 4.302 4.340 -0.000 0.000 0.226 283 R C 0.899 177.057 176.300 -0.238 0.000 1.125 283 R CA 1.557 57.541 56.100 -0.193 0.000 0.966 283 R CB -0.112 30.111 30.300 -0.128 0.000 0.861 283 R HN 0.768 nan 8.270 nan 0.000 0.433 284 S N -0.214 115.311 115.700 -0.291 0.000 2.616 284 S HA 0.331 4.801 4.470 -0.000 0.000 0.277 284 S C -2.132 172.118 174.600 -0.584 0.000 1.234 284 S CA -1.582 56.309 58.200 -0.516 0.000 1.028 284 S CB 1.825 64.760 63.200 -0.442 0.000 0.988 284 S HN -0.004 nan 8.310 nan 0.000 0.522 285 P HA -0.055 nan 4.420 nan 0.000 0.225 285 P C 0.448 177.210 177.300 -0.897 0.000 1.148 285 P CA 0.927 63.332 63.100 -1.158 0.000 0.779 285 P CB -0.251 30.251 31.700 -1.996 0.000 0.780 286 D N -0.781 119.247 120.400 -0.619 0.000 2.354 286 D HA -0.221 4.419 4.640 -0.000 0.000 0.216 286 D C 1.728 177.922 176.300 -0.177 0.000 0.970 286 D CA 0.462 54.317 54.000 -0.241 0.000 0.905 286 D CB -1.674 39.161 40.800 0.059 0.000 0.903 286 D HN 0.441 nan 8.370 nan 0.000 0.508 287 W N 1.772 122.900 121.300 -0.286 0.000 2.331 287 W HA -0.183 4.476 4.660 -0.000 0.000 0.291 287 W C 0.909 177.371 176.519 -0.096 0.000 1.214 287 W CA 0.635 57.841 57.345 -0.232 0.000 1.228 287 W CB -1.030 28.204 29.460 -0.376 0.000 1.135 287 W HN -0.091 nan 8.180 nan 0.000 0.537 288 N N 1.261 119.388 118.700 -0.956 0.000 2.430 288 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 288 N C 1.550 176.858 175.510 -0.337 0.000 1.032 288 N CA 1.605 54.084 53.050 -0.951 0.000 0.893 288 N CB 0.051 37.893 38.487 -1.075 0.000 0.957 288 N HN 0.204 nan 8.380 nan 0.000 0.442 289 V N -0.002 119.799 119.914 -0.188 0.000 3.645 289 V HA 0.047 4.167 4.120 -0.000 0.000 0.275 289 V C -0.095 176.115 176.094 0.195 0.000 1.356 289 V CA -0.002 62.324 62.300 0.043 0.000 1.051 289 V CB 0.343 32.179 31.823 0.021 0.000 0.828 289 V HN -0.014 nan 8.190 nan 0.000 0.441 290 D N 0.965 121.503 120.400 0.230 0.000 2.402 290 D HA 0.085 4.725 4.640 -0.000 0.000 0.235 290 D C 1.166 177.669 176.300 0.338 0.000 1.226 290 D CA 0.138 54.345 54.000 0.345 0.000 0.918 290 D CB 1.132 42.196 40.800 0.441 0.000 1.043 290 D HN 0.262 nan 8.370 nan 0.000 0.506 291 K N 0.984 121.550 120.400 0.276 0.000 2.280 291 K HA -0.075 4.244 4.320 -0.000 0.000 0.202 291 K C 1.825 178.526 176.600 0.169 0.000 1.047 291 K CA 0.692 57.104 56.287 0.208 0.000 0.942 291 K CB 0.342 32.941 32.500 0.166 0.000 0.739 291 K HN 0.188 nan 8.250 nan 0.000 0.457 292 S N 0.059 115.896 115.700 0.227 0.000 2.348 292 S HA -0.104 4.366 4.470 -0.000 0.000 0.219 292 S C 1.267 175.697 174.600 -0.283 0.000 1.033 292 S CA 0.372 58.591 58.200 0.032 0.000 0.974 292 S CB -0.244 63.054 63.200 0.163 0.000 0.868 292 S HN 0.466 nan 8.310 nan 0.000 0.459 293 W N 2.370 123.576 121.300 -0.157 0.000 2.305 293 W HA -0.160 4.500 4.660 -0.000 0.000 0.308 293 W C 1.665 178.159 176.519 -0.041 0.000 1.226 293 W CA 1.276 58.572 57.345 -0.082 0.000 1.253 293 W CB -0.530 29.025 29.460 0.158 0.000 1.146 293 W HN 0.278 nan 8.180 nan 0.000 0.507 294 I N 0.399 121.141 120.570 0.288 0.000 2.353 294 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 294 I C 2.664 178.798 176.117 0.029 0.000 1.119 294 I CA 1.150 62.588 61.300 0.230 0.000 1.417 294 I CB -0.964 37.211 38.000 0.293 0.000 1.078 294 I HN -0.143 nan 8.210 nan 0.000 0.421 295 A N 1.124 123.896 122.820 -0.080 0.000 1.841 295 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 295 A C 2.582 180.012 177.584 -0.257 0.000 1.199 295 A CA 2.198 54.095 52.037 -0.234 0.000 0.621 295 A CB -1.125 17.604 19.000 -0.452 0.000 0.835 295 A HN 0.410 nan 8.150 nan 0.000 0.445 296 A N -0.408 122.234 122.820 -0.297 0.000 1.948 296 A HA 0.056 4.376 4.320 -0.000 0.000 0.220 296 A C 2.452 179.932 177.584 -0.173 0.000 1.177 296 A CA 2.475 54.372 52.037 -0.232 0.000 0.636 296 A CB -1.003 17.725 19.000 -0.452 0.000 0.815 296 A HN 1.232 nan 8.150 nan 0.000 0.449 297 A N -0.497 122.219 122.820 -0.173 0.000 2.014 297 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 297 A C 1.951 179.541 177.584 0.010 0.000 1.163 297 A CA 1.302 53.311 52.037 -0.047 0.000 0.652 297 A CB -0.507 18.514 19.000 0.034 0.000 0.808 297 A HN 0.646 nan 8.150 nan 0.000 0.449 298 N N -0.002 118.691 118.700 -0.012 0.000 2.207 298 N HA -0.017 4.722 4.740 -0.000 0.000 0.182 298 N C 1.715 177.214 175.510 -0.020 0.000 1.020 298 N CA 1.072 54.122 53.050 -0.001 0.000 0.858 298 N CB -0.185 38.295 38.487 -0.012 0.000 0.991 298 N HN 0.413 nan 8.380 nan 0.000 0.427 299 L N 1.118 122.311 121.223 -0.050 0.000 2.046 299 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 299 L C 2.302 179.166 176.870 -0.010 0.000 1.077 299 L CA 1.175 55.990 54.840 -0.042 0.000 0.747 299 L CB -1.063 40.968 42.059 -0.046 0.000 0.896 299 L HN 0.168 nan 8.230 nan 0.000 0.432 300 T N 0.214 114.783 114.554 0.024 0.000 2.680 300 T HA -0.299 4.051 4.350 -0.000 0.000 0.268 300 T C 1.829 176.570 174.700 0.068 0.000 1.033 300 T CA 1.806 63.954 62.100 0.081 0.000 1.152 300 T CB -0.244 68.710 68.868 0.144 0.000 0.859 300 T HN 0.518 nan 8.240 nan 0.000 0.452 301 A N 0.215 123.068 122.820 0.055 0.000 2.016 301 A HA 0.168 4.488 4.320 -0.000 0.000 0.217 301 A C 2.235 179.830 177.584 0.019 0.000 1.162 301 A CA 0.636 52.706 52.037 0.054 0.000 0.662 301 A CB -0.451 18.577 19.000 0.046 0.000 0.812 301 A HN 0.559 nan 8.150 nan 0.000 0.450 302 I N -0.748 119.819 120.570 -0.006 0.000 2.333 302 I HA -0.145 4.025 4.170 -0.000 0.000 0.246 302 I C 2.267 178.358 176.117 -0.044 0.000 1.106 302 I CA 0.742 62.028 61.300 -0.024 0.000 1.411 302 I CB -0.436 37.535 38.000 -0.049 0.000 1.082 302 I HN 0.102 nan 8.210 nan 0.000 0.420 303 V N 1.023 120.887 119.914 -0.083 0.000 2.287 303 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 303 V C 2.465 178.433 176.094 -0.211 0.000 1.053 303 V CA 2.095 64.277 62.300 -0.196 0.000 1.027 303 V CB -0.464 31.166 31.823 -0.322 0.000 0.646 303 V HN 0.404 nan 8.190 nan 0.000 0.447 304 M N -0.671 118.870 119.600 -0.099 0.000 2.419 304 M HA -0.012 4.468 4.480 -0.000 0.000 0.264 304 M C 2.221 178.576 176.300 0.092 0.000 1.082 304 M CA 1.389 56.706 55.300 0.027 0.000 1.119 304 M CB -0.406 32.311 32.600 0.195 0.000 1.398 304 M HN 0.388 nan 8.290 nan 0.000 0.453 305 A N 0.125 123.003 122.820 0.097 0.000 1.969 305 A HA -0.170 4.149 4.320 -0.000 0.000 0.218 305 A C 2.284 179.961 177.584 0.154 0.000 1.169 305 A CA 1.688 53.858 52.037 0.220 0.000 0.635 305 A CB -1.023 18.094 19.000 0.196 0.000 0.810 305 A HN 0.761 nan 8.150 nan 0.000 0.445 306 C N -0.661 118.667 119.300 0.046 0.000 2.563 306 C HA 0.457 4.917 4.460 -0.000 0.000 0.268 306 C C 1.230 176.202 174.990 -0.030 0.000 1.365 306 C CA -0.011 59.012 59.018 0.008 0.000 1.754 306 C CB -1.262 26.468 27.740 -0.017 0.000 1.932 306 C HN 0.635 nan 8.230 nan 0.000 0.536 307 R N -0.358 120.120 120.500 -0.036 0.000 2.939 307 R HA 0.604 4.944 4.340 -0.000 0.000 0.254 307 R C -1.031 175.238 176.300 -0.051 0.000 1.123 307 R CA -0.594 55.473 56.100 -0.055 0.000 1.020 307 R CB 0.271 30.534 30.300 -0.061 0.000 1.206 307 R HN 0.024 nan 8.270 nan 0.000 0.491 308 Q N 1.873 121.635 119.800 -0.063 0.000 2.377 308 Q HA 0.327 4.667 4.340 -0.000 0.000 0.249 308 Q C -2.086 173.891 176.000 -0.038 0.000 1.005 308 Q CA -1.828 53.944 55.803 -0.052 0.000 0.912 308 Q CB 1.425 30.120 28.738 -0.072 0.000 1.223 308 Q HN 0.465 nan 8.270 nan 0.000 0.459 309 P HA 0.370 nan 4.420 nan 0.000 0.279 309 P C -2.540 174.699 177.300 -0.101 0.000 1.276 309 P CA -1.847 61.271 63.100 0.030 0.000 0.801 309 P CB -0.188 31.628 31.700 0.194 0.000 1.127 310 P HA 0.017 nan 4.420 nan 0.000 0.266 310 P C -0.504 176.684 177.300 -0.186 0.000 1.195 310 P CA 0.185 63.123 63.100 -0.270 0.000 0.768 310 P CB 0.038 31.427 31.700 -0.518 0.000 0.838 311 V N 4.600 124.408 119.914 -0.177 0.000 2.470 311 V HA 0.050 4.170 4.120 -0.000 0.000 0.276 311 V C 0.522 176.507 176.094 -0.182 0.000 1.040 311 V CA -0.015 62.163 62.300 -0.203 0.000 1.008 311 V CB -1.095 30.672 31.823 -0.093 0.000 0.990 311 V HN 0.341 nan 8.190 nan 0.000 0.477 312 F N 2.987 122.817 119.950 -0.201 0.000 2.607 312 F HA 0.303 4.830 4.527 -0.000 0.000 0.374 312 F C 1.208 176.952 175.800 -0.095 0.000 1.104 312 F CA 0.247 58.129 58.000 -0.198 0.000 1.296 312 F CB 0.228 38.981 39.000 -0.412 0.000 1.085 312 F HN 0.630 nan 8.300 nan 0.000 0.584 313 A N 3.604 126.517 122.820 0.154 0.000 2.567 313 A HA -0.027 4.292 4.320 -0.000 0.000 0.240 313 A C 1.472 179.098 177.584 0.070 0.000 1.053 313 A CA -0.416 51.673 52.037 0.087 0.000 0.755 313 A CB -0.072 18.966 19.000 0.062 0.000 0.978 313 A HN 0.832 nan 8.150 nan 0.000 0.507 314 N N 1.362 120.092 118.700 0.050 0.000 2.192 314 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 314 N C 1.642 177.160 175.510 0.014 0.000 1.013 314 N CA 1.927 55.000 53.050 0.038 0.000 0.863 314 N CB -0.178 38.332 38.487 0.038 0.000 0.990 314 N HN 0.835 nan 8.380 nan 0.000 0.430 315 Q N -0.790 119.016 119.800 0.010 0.000 2.224 315 Q HA 0.023 4.363 4.340 -0.000 0.000 0.203 315 Q C 1.854 177.838 176.000 -0.026 0.000 0.970 315 Q CA 1.103 56.904 55.803 -0.004 0.000 0.865 315 Q CB -0.092 28.645 28.738 -0.001 0.000 0.922 315 Q HN 0.366 nan 8.270 nan 0.000 0.445 316 G N 0.601 109.380 108.800 -0.035 0.000 2.813 316 G HA2 0.105 4.065 3.960 -0.000 0.000 0.209 316 G HA3 0.105 4.065 3.960 -0.000 0.000 0.209 316 G C 0.512 175.306 174.900 -0.177 0.000 1.150 316 G CA 0.411 45.462 45.100 -0.082 0.000 0.785 316 G HN 0.206 nan 8.290 nan 0.000 0.535 317 V N -1.310 118.515 119.914 -0.148 0.000 3.046 317 V HA 0.727 4.847 4.120 -0.000 0.000 0.316 317 V C 0.375 176.426 176.094 -0.070 0.000 1.104 317 V CA -2.013 60.188 62.300 -0.164 0.000 1.006 317 V CB 1.729 33.457 31.823 -0.158 0.000 1.058 317 V HN 0.276 nan 8.190 nan 0.000 0.440 318 I N 0.174 120.712 120.570 -0.053 0.000 2.938 318 I HA 0.350 4.520 4.170 -0.000 0.000 0.285 318 I C 1.243 177.370 176.117 0.018 0.000 1.182 318 I CA -0.041 61.258 61.300 -0.001 0.000 1.388 318 I CB 0.160 38.183 38.000 0.038 0.000 1.390 318 I HN 0.648 nan 8.210 nan 0.000 0.600 319 N N 2.586 121.309 118.700 0.038 0.000 2.094 319 N HA -0.209 4.530 4.740 -0.000 0.000 0.191 319 N C 1.461 177.019 175.510 0.080 0.000 1.023 319 N CA 1.681 54.762 53.050 0.051 0.000 0.857 319 N CB -0.522 37.993 38.487 0.047 0.000 1.013 319 N HN 0.680 nan 8.380 nan 0.000 0.426 320 Q N -0.384 119.481 119.800 0.110 0.000 2.436 320 Q HA 0.204 4.544 4.340 -0.000 0.000 0.209 320 Q C 1.235 177.344 176.000 0.182 0.000 0.965 320 Q CA 1.024 56.935 55.803 0.179 0.000 0.910 320 Q CB 0.115 28.989 28.738 0.227 0.000 0.980 320 Q HN 0.408 nan 8.270 nan 0.000 0.491 321 A N -0.345 122.472 122.820 -0.005 0.000 2.390 321 A HA 0.109 4.429 4.320 -0.000 0.000 0.232 321 A C 0.280 177.969 177.584 0.175 0.000 1.233 321 A CA -0.297 51.642 52.037 -0.164 0.000 0.907 321 A CB 0.311 18.962 19.000 -0.581 0.000 0.967 321 A HN 0.205 nan 8.150 nan 0.000 0.512 322 Q N 0.632 120.511 119.800 0.133 0.000 2.340 322 Q HA 0.183 4.523 4.340 -0.000 0.000 0.249 322 Q C -0.314 175.747 176.000 0.102 0.000 0.957 322 Q CA -0.480 55.391 55.803 0.114 0.000 0.882 322 Q CB 0.323 29.106 28.738 0.075 0.000 1.235 322 Q HN 0.455 nan 8.270 nan 0.000 0.439 323 N N 0.667 119.408 118.700 0.069 0.000 2.714 323 N HA -0.186 4.554 4.740 -0.000 0.000 0.250 323 N C -0.745 174.731 175.510 -0.057 0.000 1.117 323 N CA 0.791 53.852 53.050 0.019 0.000 0.719 323 N CB -0.781 37.719 38.487 0.021 0.000 1.081 323 N HN 0.452 nan 8.380 nan 0.000 0.557 324 R N 1.605 122.033 120.500 -0.120 0.000 2.296 324 R HA 0.263 4.603 4.340 -0.000 0.000 0.323 324 R C -2.398 173.782 176.300 -0.200 0.000 1.067 324 R CA -1.579 54.278 56.100 -0.405 0.000 0.946 324 R CB 0.406 30.087 30.300 -1.032 0.000 0.991 324 R HN -0.017 nan 8.270 nan 0.000 0.448 325 P HA 0.131 nan 4.420 nan 0.000 0.265 325 P C 0.243 177.502 177.300 -0.069 0.000 1.222 325 P CA 0.699 63.742 63.100 -0.095 0.000 0.767 325 P CB 0.961 32.607 31.700 -0.089 0.000 0.801 326 G N 2.171 110.955 108.800 -0.026 0.000 2.175 326 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.244 326 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.244 326 G C 0.363 175.301 174.900 0.063 0.000 0.982 326 G CA 0.211 45.308 45.100 -0.005 0.000 0.641 326 G HN 0.521 nan 8.290 nan 0.000 0.527 327 F N 1.572 121.470 119.950 -0.087 0.000 2.495 327 F HA 0.493 5.020 4.527 -0.000 0.000 0.272 327 F C 0.979 176.836 175.800 0.095 0.000 0.919 327 F CA 1.429 59.430 58.000 0.001 0.000 1.178 327 F CB 0.680 39.633 39.000 -0.078 0.000 1.030 327 F HN 0.483 nan 8.300 nan 0.000 0.777 328 S N 1.574 117.370 115.700 0.160 0.000 2.564 328 S HA 0.750 5.220 4.470 -0.000 0.000 0.274 328 S C -0.791 173.846 174.600 0.062 0.000 1.124 328 S CA -0.650 57.620 58.200 0.116 0.000 0.869 328 S CB 2.253 65.589 63.200 0.226 0.000 1.105 328 S HN 0.385 nan 8.310 nan 0.000 0.472 329 M N 0.255 119.884 119.600 0.048 0.000 2.643 329 M HA 0.559 5.038 4.480 -0.000 0.000 0.276 329 M C -2.001 174.317 176.300 0.031 0.000 1.200 329 M CA -0.835 54.481 55.300 0.027 0.000 0.863 329 M CB 1.443 34.050 32.600 0.010 0.000 1.711 329 M HN 0.427 nan 8.290 nan 0.000 0.492 330 N N 1.013 119.727 118.700 0.024 0.000 2.483 330 N HA 0.330 5.070 4.740 -0.000 0.000 0.264 330 N C 0.800 176.322 175.510 0.020 0.000 1.197 330 N CA 1.690 54.754 53.050 0.023 0.000 0.927 330 N CB 1.086 39.584 38.487 0.019 0.000 1.065 330 N HN 1.061 nan 8.380 nan 0.000 0.461 331 G N 0.860 109.674 108.800 0.023 0.000 2.225 331 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.264 331 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.264 331 G C 0.557 175.472 174.900 0.025 0.000 1.060 331 G CA 0.157 45.270 45.100 0.023 0.000 0.833 331 G HN 0.837 nan 8.290 nan 0.000 0.498 332 G N -1.179 107.641 108.800 0.034 0.000 2.543 332 G HA2 0.643 4.603 3.960 -0.000 0.000 0.267 332 G HA3 0.643 4.603 3.960 -0.000 0.000 0.267 332 G C 0.257 175.195 174.900 0.063 0.000 1.406 332 G CA 0.268 45.391 45.100 0.038 0.000 1.048 332 G HN 0.631 nan 8.290 nan 0.000 0.548 333 T N 2.792 117.401 114.554 0.092 0.000 2.814 333 T HA 0.372 4.722 4.350 -0.000 0.000 0.297 333 T C -2.208 172.604 174.700 0.187 0.000 0.956 333 T CA -0.468 61.730 62.100 0.162 0.000 1.123 333 T CB 1.261 70.275 68.868 0.243 0.000 0.902 333 T HN 0.153 nan 8.240 nan 0.000 0.528 334 P HA 0.131 nan 4.420 nan 0.000 0.267 334 P C -0.777 176.511 177.300 -0.019 0.000 1.200 334 P CA -0.346 62.721 63.100 -0.055 0.000 0.772 334 P CB 0.410 31.945 31.700 -0.276 0.000 0.855 335 V N 3.643 123.531 119.914 -0.043 0.000 2.328 335 V HA 0.186 4.306 4.120 -0.000 0.000 0.278 335 V C 0.244 176.279 176.094 -0.098 0.000 1.021 335 V CA -0.364 61.962 62.300 0.042 0.000 0.838 335 V CB -0.223 31.625 31.823 0.042 0.000 0.999 335 V HN 0.547 nan 8.190 nan 0.000 0.447 336 H N 2.837 121.976 119.070 0.114 0.000 2.551 336 H HA 0.496 5.052 4.556 -0.000 0.000 0.358 336 H C 0.281 175.649 175.328 0.067 0.000 1.151 336 H CA -0.372 55.715 56.048 0.064 0.000 1.374 336 H CB 0.927 30.707 29.762 0.029 0.000 1.473 336 H HN 0.784 nan 8.280 nan 0.000 0.574 337 E N 2.470 122.765 120.200 0.159 0.000 2.238 337 E HA 0.501 4.851 4.350 -0.000 0.000 0.267 337 E C -1.321 175.315 176.600 0.060 0.000 0.887 337 E CA -0.836 55.610 56.400 0.076 0.000 0.769 337 E CB 1.877 31.587 29.700 0.017 0.000 1.187 337 E HN 0.352 nan 8.360 nan 0.000 0.416 338 L N 2.738 123.971 121.223 0.017 0.000 2.356 338 L HA 0.364 4.704 4.340 -0.000 0.000 0.277 338 L C -0.208 176.605 176.870 -0.094 0.000 0.996 338 L CA -1.095 53.738 54.840 -0.011 0.000 0.822 338 L CB 1.796 43.894 42.059 0.065 0.000 1.256 338 L HN 0.654 nan 8.230 nan 0.000 0.413 339 N N 3.736 122.403 118.700 -0.055 0.000 2.430 339 N HA 0.151 4.890 4.740 -0.000 0.000 0.265 339 N C 0.777 176.266 175.510 -0.035 0.000 1.100 339 N CA -0.134 52.882 53.050 -0.056 0.000 0.961 339 N CB 1.422 39.902 38.487 -0.012 0.000 1.075 339 N HN 0.650 nan 8.380 nan 0.000 0.478 340 L N 3.036 124.236 121.223 -0.039 0.000 2.141 340 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 340 L C 2.073 178.965 176.870 0.036 0.000 1.094 340 L CA 0.621 55.476 54.840 0.024 0.000 0.763 340 L CB -0.268 41.829 42.059 0.063 0.000 0.908 340 L HN 0.517 nan 8.230 nan 0.000 0.437 341 L N -0.439 120.818 121.223 0.058 0.000 2.023 341 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 341 L C 2.442 179.310 176.870 -0.002 0.000 1.073 341 L CA 2.018 56.888 54.840 0.050 0.000 0.745 341 L CB -0.886 41.225 42.059 0.087 0.000 0.900 341 L HN 0.053 nan 8.230 nan 0.000 0.435 342 T N -0.480 114.075 114.554 0.001 0.000 2.685 342 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 342 T C 1.706 176.369 174.700 -0.062 0.000 1.034 342 T CA 2.171 64.257 62.100 -0.024 0.000 1.149 342 T CB -0.686 68.175 68.868 -0.012 0.000 0.860 342 T HN 0.501 nan 8.240 nan 0.000 0.449 343 T N 1.867 116.379 114.554 -0.070 0.000 2.708 343 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 343 T C 2.406 176.973 174.700 -0.221 0.000 1.037 343 T CA 1.192 63.217 62.100 -0.125 0.000 1.146 343 T CB -0.596 68.223 68.868 -0.081 0.000 0.865 343 T HN 0.468 nan 8.240 nan 0.000 0.435 344 A N 1.259 123.950 122.820 -0.215 0.000 2.019 344 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 344 A C 2.266 179.710 177.584 -0.233 0.000 1.164 344 A CA 1.435 53.318 52.037 -0.255 0.000 0.644 344 A CB -0.598 18.307 19.000 -0.158 0.000 0.805 344 A HN 0.571 nan 8.150 nan 0.000 0.449 345 Q N -0.677 119.030 119.800 -0.155 0.000 2.079 345 Q HA -0.156 4.184 4.340 -0.000 0.000 0.200 345 Q C 1.878 177.784 176.000 -0.156 0.000 0.974 345 Q CA 1.362 57.087 55.803 -0.129 0.000 0.840 345 Q CB -0.133 28.560 28.738 -0.075 0.000 0.898 345 Q HN 0.599 nan 8.270 nan 0.000 0.430 346 E N 0.279 120.381 120.200 -0.163 0.000 2.106 346 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 346 E C 2.128 178.582 176.600 -0.244 0.000 0.984 346 E CA 0.675 56.976 56.400 -0.164 0.000 0.806 346 E CB -0.745 28.873 29.700 -0.136 0.000 0.750 346 E HN 0.339 nan 8.360 nan 0.000 0.458 347 C N 1.041 120.128 119.300 -0.356 0.000 2.413 347 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 347 C C 2.757 177.234 174.990 -0.856 0.000 1.228 347 C CA 0.612 59.285 59.018 -0.576 0.000 1.731 347 C CB -1.160 26.195 27.740 -0.642 0.000 2.042 347 C HN 0.352 nan 8.230 nan 0.000 0.468 348 I N 0.668 120.812 120.570 -0.710 0.000 2.208 348 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 348 I C 2.886 178.916 176.117 -0.146 0.000 1.097 348 I CA 2.085 63.123 61.300 -0.438 0.000 1.363 348 I CB -0.655 37.206 38.000 -0.232 0.000 1.051 348 I HN 0.418 nan 8.210 nan 0.000 0.413 349 R N 0.563 120.977 120.500 -0.144 0.000 2.096 349 R HA -0.190 4.150 4.340 -0.000 0.000 0.235 349 R C 2.286 178.572 176.300 -0.023 0.000 1.127 349 R CA 1.268 57.332 56.100 -0.060 0.000 0.968 349 R CB -0.035 30.224 30.300 -0.068 0.000 0.861 349 R HN 0.364 nan 8.270 nan 0.000 0.440 350 Q N -0.190 119.574 119.800 -0.059 0.000 2.046 350 Q HA -0.184 4.156 4.340 -0.000 0.000 0.200 350 Q C 1.893 178.000 176.000 0.179 0.000 0.975 350 Q CA 1.316 57.132 55.803 0.022 0.000 0.836 350 Q CB -0.372 28.361 28.738 -0.009 0.000 0.896 350 Q HN 0.458 nan 8.270 nan 0.000 0.428 351 W N 0.471 121.767 121.300 -0.006 0.000 2.321 351 W HA -0.134 4.525 4.660 -0.000 0.000 0.306 351 W C 2.285 178.796 176.519 -0.014 0.000 1.217 351 W CA 0.477 57.819 57.345 -0.005 0.000 1.257 351 W CB -1.208 28.257 29.460 0.008 0.000 1.145 351 W HN -0.054 nan 8.180 nan 0.000 0.509 352 V N 0.172 120.212 119.914 0.211 0.000 2.323 352 V HA -0.291 3.829 4.120 -0.000 0.000 0.244 352 V C 2.307 178.442 176.094 0.068 0.000 1.041 352 V CA 1.806 64.172 62.300 0.110 0.000 1.025 352 V CB -0.804 31.064 31.823 0.074 0.000 0.656 352 V HN 0.058 nan 8.190 nan 0.000 0.451 353 M N -0.237 119.398 119.600 0.058 0.000 2.267 353 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 353 M C 1.981 178.300 176.300 0.032 0.000 1.063 353 M CA 1.917 57.238 55.300 0.034 0.000 1.090 353 M CB -0.322 32.291 32.600 0.022 0.000 1.392 353 M HN 0.412 nan 8.290 nan 0.000 0.422 354 A N -0.996 121.856 122.820 0.052 0.000 2.178 354 A HA 0.367 4.687 4.320 -0.000 0.000 0.211 354 A C 1.620 179.207 177.584 0.005 0.000 1.157 354 A CA 0.801 52.854 52.037 0.027 0.000 0.780 354 A CB -0.401 18.623 19.000 0.040 0.000 0.828 354 A HN 0.599 nan 8.150 nan 0.000 0.476 355 G N -1.103 107.708 108.800 0.018 0.000 2.136 355 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.242 355 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.242 355 G C 0.689 175.577 174.900 -0.020 0.000 0.989 355 G CA 0.483 45.583 45.100 -0.001 0.000 0.682 355 G HN 0.412 nan 8.290 nan 0.000 0.522 356 L N -0.424 120.789 121.223 -0.017 0.000 2.313 356 L HA 0.304 4.644 4.340 -0.000 0.000 0.214 356 L C 1.513 178.343 176.870 -0.066 0.000 1.119 356 L CA 1.328 56.116 54.840 -0.088 0.000 0.809 356 L CB 0.095 42.038 42.059 -0.194 0.000 0.933 356 L HN 0.512 nan 8.230 nan 0.000 0.449 357 V N -6.055 113.871 119.914 0.021 0.000 3.102 357 V HA 0.565 4.685 4.120 -0.000 0.000 0.312 357 V C 0.137 176.254 176.094 0.037 0.000 1.135 357 V CA -1.152 61.170 62.300 0.036 0.000 1.022 357 V CB 1.436 33.324 31.823 0.109 0.000 1.056 357 V HN -0.006 nan 8.190 nan 0.000 0.436 358 S N 1.114 116.830 115.700 0.027 0.000 2.572 358 S HA 0.422 4.892 4.470 -0.000 0.000 0.267 358 S C 1.506 176.126 174.600 0.033 0.000 1.361 358 S CA 0.102 58.316 58.200 0.022 0.000 1.009 358 S CB 0.849 64.058 63.200 0.015 0.000 0.888 358 S HN 1.660 nan 8.310 nan 0.000 0.553 359 A N 1.132 123.966 122.820 0.023 0.000 1.972 359 A HA 0.089 4.409 4.320 -0.000 0.000 0.219 359 A C 2.249 179.846 177.584 0.022 0.000 1.169 359 A CA 1.589 53.640 52.037 0.022 0.000 0.635 359 A CB -1.357 17.651 19.000 0.014 0.000 0.810 359 A HN 0.971 nan 8.150 nan 0.000 0.446 360 A N 0.297 123.129 122.820 0.019 0.000 1.832 360 A HA -0.162 4.158 4.320 -0.000 0.000 0.214 360 A C 2.077 179.676 177.584 0.025 0.000 1.200 360 A CA 2.103 54.151 52.037 0.017 0.000 0.610 360 A CB -0.603 18.405 19.000 0.012 0.000 0.842 360 A HN 0.499 nan 8.150 nan 0.000 0.444 361 K N -0.221 120.197 120.400 0.030 0.000 2.286 361 K HA -0.098 4.222 4.320 -0.000 0.000 0.203 361 K C 1.681 178.318 176.600 0.062 0.000 1.045 361 K CA 1.557 57.869 56.287 0.042 0.000 0.935 361 K CB -0.552 31.972 32.500 0.040 0.000 0.737 361 K HN 0.393 nan 8.250 nan 0.000 0.460 362 G N -0.034 108.803 108.800 0.061 0.000 2.421 362 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.217 362 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.217 362 G C 1.265 176.185 174.900 0.035 0.000 1.143 362 G CA 0.237 45.375 45.100 0.063 0.000 0.784 362 G HN 0.343 nan 8.290 nan 0.000 0.541 363 Q N -0.013 119.803 119.800 0.026 0.000 2.096 363 Q HA 0.080 4.420 4.340 -0.000 0.000 0.197 363 Q C 3.044 179.055 176.000 0.018 0.000 0.964 363 Q CA 1.012 56.824 55.803 0.016 0.000 0.838 363 Q CB -0.156 28.590 28.738 0.013 0.000 0.906 363 Q HN 0.449 nan 8.270 nan 0.000 0.444 364 A N 1.008 123.842 122.820 0.023 0.000 1.902 364 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 364 A C 2.093 179.694 177.584 0.028 0.000 1.181 364 A CA 1.010 53.061 52.037 0.024 0.000 0.623 364 A CB -0.692 18.322 19.000 0.025 0.000 0.818 364 A HN 0.266 nan 8.150 nan 0.000 0.443 365 L N -0.672 120.574 121.223 0.039 0.000 2.046 365 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 365 L C 2.732 179.611 176.870 0.014 0.000 1.077 365 L CA 1.818 56.682 54.840 0.041 0.000 0.747 365 L CB -0.709 41.399 42.059 0.082 0.000 0.896 365 L HN 0.352 nan 8.230 nan 0.000 0.432 366 T N -1.651 112.906 114.554 0.005 0.000 2.915 366 T HA -0.214 4.136 4.350 -0.000 0.000 0.269 366 T C 1.729 176.432 174.700 0.005 0.000 1.071 366 T CA 1.036 63.131 62.100 -0.008 0.000 1.132 366 T CB -0.054 68.805 68.868 -0.014 0.000 0.878 366 T HN 0.196 nan 8.240 nan 0.000 0.479 367 Q N 1.695 121.503 119.800 0.012 0.000 1.994 367 Q HA -0.062 4.278 4.340 -0.000 0.000 0.198 367 Q C 2.063 178.081 176.000 0.029 0.000 0.976 367 Q CA 1.704 57.517 55.803 0.017 0.000 0.828 367 Q CB -0.418 28.329 28.738 0.015 0.000 0.894 367 Q HN 0.540 nan 8.270 nan 0.000 0.432 368 E N -0.288 119.931 120.200 0.032 0.000 2.208 368 E HA -0.276 4.074 4.350 -0.000 0.000 0.202 368 E C 1.701 178.344 176.600 0.072 0.000 1.014 368 E CA 1.385 57.812 56.400 0.045 0.000 0.819 368 E CB -0.260 29.456 29.700 0.027 0.000 0.735 368 E HN 0.495 nan 8.360 nan 0.000 0.469 369 A N 1.209 124.061 122.820 0.053 0.000 1.874 369 A HA -0.144 4.176 4.320 -0.000 0.000 0.214 369 A C 1.814 179.458 177.584 0.100 0.000 1.189 369 A CA 1.146 53.228 52.037 0.075 0.000 0.615 369 A CB -0.292 18.721 19.000 0.021 0.000 0.830 369 A HN 0.138 nan 8.150 nan 0.000 0.443 370 N N 1.078 119.809 118.700 0.051 0.000 2.104 370 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 370 N C 0.949 176.473 175.510 0.025 0.000 1.024 370 N CA 1.625 54.691 53.050 0.027 0.000 0.853 370 N CB -0.533 37.956 38.487 0.005 0.000 1.008 370 N HN 0.439 nan 8.380 nan 0.000 0.424 371 D N 0.048 120.478 120.400 0.050 0.000 2.178 371 D HA -0.094 4.546 4.640 -0.000 0.000 0.202 371 D C 1.650 177.994 176.300 0.074 0.000 0.974 371 D CA 0.406 54.433 54.000 0.044 0.000 0.841 371 D CB -0.334 40.498 40.800 0.053 0.000 0.953 371 D HN 0.218 nan 8.370 nan 0.000 0.478 372 F N 1.000 120.942 119.950 -0.013 0.000 2.234 372 F HA -0.063 4.464 4.527 -0.000 0.000 0.296 372 F C 2.469 178.258 175.800 -0.018 0.000 1.089 372 F CA 0.864 58.862 58.000 -0.003 0.000 1.343 372 F CB -0.117 38.894 39.000 0.018 0.000 1.040 372 F HN -0.199 nan 8.300 nan 0.000 0.498 373 S N 0.344 116.049 115.700 0.007 0.000 2.382 373 S HA -0.195 4.275 4.470 -0.000 0.000 0.228 373 S C 1.955 176.387 174.600 -0.280 0.000 1.027 373 S CA 1.604 59.739 58.200 -0.107 0.000 0.991 373 S CB -0.491 62.716 63.200 0.012 0.000 0.823 373 S HN 0.455 nan 8.310 nan 0.000 0.469 374 N N 1.441 120.010 118.700 -0.218 0.000 2.120 374 N HA -0.058 4.682 4.740 -0.000 0.000 0.188 374 N C 1.751 177.101 175.510 -0.266 0.000 1.024 374 N CA 1.147 54.049 53.050 -0.246 0.000 0.852 374 N CB -0.664 37.733 38.487 -0.149 0.000 1.003 374 N HN 0.437 nan 8.380 nan 0.000 0.424 375 L N 0.241 121.310 121.223 -0.257 0.000 2.027 375 L HA -0.080 4.260 4.340 -0.000 0.000 0.206 375 L C 1.956 178.634 176.870 -0.320 0.000 1.074 375 L CA 1.024 55.716 54.840 -0.247 0.000 0.745 375 L CB -0.160 41.770 42.059 -0.215 0.000 0.898 375 L HN 0.042 nan 8.230 nan 0.000 0.433 376 I N 0.056 120.317 120.570 -0.515 0.000 2.252 376 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 376 I C 2.514 178.465 176.117 -0.277 0.000 1.102 376 I CA 1.509 62.544 61.300 -0.442 0.000 1.385 376 I CB -0.988 36.630 38.000 -0.636 0.000 1.064 376 I HN 0.533 nan 8.210 nan 0.000 0.414 377 Q N 0.605 120.123 119.800 -0.469 0.000 2.135 377 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 377 Q C 2.215 177.999 176.000 -0.360 0.000 0.981 377 Q CA 2.182 57.522 55.803 -0.771 0.000 0.856 377 Q CB 0.021 27.969 28.738 -1.316 0.000 0.902 377 Q HN 0.485 nan 8.270 nan 0.000 0.425 378 A N 0.941 123.605 122.820 -0.261 0.000 1.855 378 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 378 A C 1.648 179.209 177.584 -0.040 0.000 1.191 378 A CA 1.676 53.633 52.037 -0.133 0.000 0.613 378 A CB -0.570 18.358 19.000 -0.121 0.000 0.829 378 A HN 0.492 nan 8.150 nan 0.000 0.442 379 D N 0.077 120.461 120.400 -0.027 0.000 2.178 379 D HA -0.070 4.570 4.640 -0.000 0.000 0.202 379 D C 1.842 178.227 176.300 0.141 0.000 0.974 379 D CA 0.818 54.856 54.000 0.063 0.000 0.841 379 D CB -0.301 40.561 40.800 0.103 0.000 0.953 379 D HN 0.444 nan 8.370 nan 0.000 0.478 380 L N 0.382 121.679 121.223 0.124 0.000 2.179 380 L HA 0.062 4.402 4.340 -0.000 0.000 0.208 380 L C 2.500 179.595 176.870 0.375 0.000 1.096 380 L CA 0.911 55.881 54.840 0.216 0.000 0.779 380 L CB -0.472 41.644 42.059 0.095 0.000 0.922 380 L HN 0.070 nan 8.230 nan 0.000 0.443 381 G N -0.825 108.154 108.800 0.297 0.000 2.422 381 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 381 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 381 G C 1.497 176.470 174.900 0.121 0.000 1.146 381 G CA 0.248 45.490 45.100 0.237 0.000 0.769 381 G HN 0.238 nan 8.290 nan 0.000 0.547 382 Q N 0.324 120.183 119.800 0.097 0.000 2.002 382 Q HA -0.056 4.284 4.340 -0.000 0.000 0.204 382 Q C 2.785 178.831 176.000 0.076 0.000 0.988 382 Q CA 1.077 56.919 55.803 0.066 0.000 0.843 382 Q CB -0.485 28.288 28.738 0.058 0.000 0.908 382 Q HN 0.561 nan 8.270 nan 0.000 0.420 383 I N 0.926 121.569 120.570 0.122 0.000 2.163 383 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 383 I C 2.641 178.811 176.117 0.089 0.000 1.085 383 I CA 1.340 62.718 61.300 0.129 0.000 1.347 383 I CB -0.406 37.712 38.000 0.197 0.000 1.044 383 I HN 0.255 nan 8.210 nan 0.000 0.408 384 K N 1.593 122.032 120.400 0.065 0.000 2.001 384 K HA -0.246 4.074 4.320 -0.000 0.000 0.214 384 K C 2.242 178.791 176.600 -0.085 0.000 1.050 384 K CA 1.979 58.196 56.287 -0.117 0.000 0.934 384 K CB -0.239 31.997 32.500 -0.439 0.000 0.718 384 K HN 0.266 nan 8.250 nan 0.000 0.443 385 A N 1.007 123.797 122.820 -0.050 0.000 1.908 385 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 385 A C 2.116 179.683 177.584 -0.029 0.000 1.181 385 A CA 1.781 53.794 52.037 -0.042 0.000 0.627 385 A CB -0.648 18.339 19.000 -0.022 0.000 0.818 385 A HN 0.563 nan 8.150 nan 0.000 0.445 386 Q N -0.663 119.131 119.800 -0.011 0.000 2.020 386 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 386 Q C 1.736 177.717 176.000 -0.030 0.000 0.982 386 Q CA 1.609 57.399 55.803 -0.022 0.000 0.838 386 Q CB -0.301 28.443 28.738 0.010 0.000 0.899 386 Q HN 0.598 nan 8.270 nan 0.000 0.423 387 D N 0.573 121.010 120.400 0.061 0.000 2.104 387 D HA -0.154 4.486 4.640 -0.000 0.000 0.194 387 D C 1.461 177.840 176.300 0.132 0.000 0.994 387 D CA 1.223 55.335 54.000 0.188 0.000 0.830 387 D CB -0.266 40.635 40.800 0.169 0.000 0.959 387 D HN 0.161 nan 8.370 nan 0.000 0.452 388 D N 0.173 120.600 120.400 0.044 0.000 2.087 388 D HA -0.136 4.504 4.640 -0.000 0.000 0.192 388 D C 2.024 178.362 176.300 0.064 0.000 0.993 388 D CA 1.655 55.689 54.000 0.057 0.000 0.828 388 D CB -0.651 40.141 40.800 -0.013 0.000 0.968 388 D HN 0.151 nan 8.370 nan 0.000 0.448 389 A N 0.740 123.552 122.820 -0.014 0.000 1.869 389 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 389 A C 2.480 179.998 177.584 -0.110 0.000 1.203 389 A CA 1.656 53.661 52.037 -0.054 0.000 0.638 389 A CB -1.105 17.851 19.000 -0.074 0.000 0.831 389 A HN 0.250 nan 8.150 nan 0.000 0.450 390 L N -2.499 118.581 121.223 -0.239 0.000 2.046 390 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 390 L C 2.607 179.289 176.870 -0.313 0.000 1.077 390 L CA 1.857 56.402 54.840 -0.491 0.000 0.747 390 L CB -0.642 40.724 42.059 -1.156 0.000 0.896 390 L HN 0.630 nan 8.230 nan 0.000 0.432 391 Y N 0.930 121.151 120.300 -0.131 0.000 2.207 391 Y HA -0.338 4.212 4.550 -0.000 0.000 0.287 391 Y C 2.439 178.368 175.900 0.047 0.000 1.156 391 Y CA 2.082 60.269 58.100 0.144 0.000 1.182 391 Y CB -0.146 38.439 38.460 0.208 0.000 0.979 391 Y HN 0.243 nan 8.280 nan 0.000 0.521 392 N N -0.408 118.265 118.700 -0.044 0.000 2.354 392 N HA -0.117 4.623 4.740 -0.000 0.000 0.179 392 N C 1.345 176.767 175.510 -0.147 0.000 1.021 392 N CA 1.631 54.610 53.050 -0.118 0.000 0.887 392 N CB 0.008 38.499 38.487 0.007 0.000 0.974 392 N HN 0.588 nan 8.380 nan 0.000 0.437 393 Q N -1.648 118.072 119.800 -0.132 0.000 2.422 393 Q HA 0.111 4.451 4.340 -0.000 0.000 0.255 393 Q C -0.223 175.713 176.000 -0.106 0.000 0.864 393 Q CA 0.004 55.743 55.803 -0.107 0.000 0.968 393 Q CB 0.699 29.383 28.738 -0.091 0.000 1.130 393 Q HN 0.197 nan 8.270 nan 0.000 0.556 394 Q N 2.068 121.797 119.800 -0.118 0.000 2.431 394 Q HA 0.288 4.628 4.340 -0.000 0.000 0.249 394 Q C -2.645 173.340 176.000 -0.025 0.000 1.025 394 Q CA -2.331 53.428 55.803 -0.073 0.000 0.835 394 Q CB 1.277 29.955 28.738 -0.100 0.000 1.207 394 Q HN -0.165 nan 8.270 nan 0.000 0.490 395 P HA 0.216 nan 4.420 nan 0.000 0.268 395 P C 0.383 177.701 177.300 0.030 0.000 1.205 395 P CA 0.774 63.859 63.100 -0.025 0.000 0.771 395 P CB 1.015 32.696 31.700 -0.032 0.000 0.858 396 G N 0.998 109.823 108.800 0.042 0.000 2.176 396 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.253 396 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.253 396 G C -0.136 174.801 174.900 0.062 0.000 0.979 396 G CA -0.339 44.790 45.100 0.048 0.000 0.641 396 G HN 0.561 nan 8.290 nan 0.000 0.530 397 Y N 1.725 122.023 120.300 -0.003 0.000 2.526 397 Y HA 0.480 5.030 4.550 -0.000 0.000 0.330 397 Y C 0.561 176.493 175.900 0.054 0.000 1.156 397 Y CA -0.337 57.780 58.100 0.028 0.000 1.419 397 Y CB 0.680 39.171 38.460 0.052 0.000 1.250 397 Y HN 0.631 nan 8.280 nan 0.000 0.540 398 A N 8.124 130.484 122.820 -0.767 0.000 2.252 398 A HA 0.476 4.795 4.320 -0.000 0.000 0.309 398 A C -0.029 177.090 177.584 -0.776 0.000 1.285 398 A CA -0.820 50.860 52.037 -0.595 0.000 0.900 398 A CB 0.138 18.903 19.000 -0.392 0.000 1.157 398 A HN 0.910 nan 8.150 nan 0.000 0.536 399 R N 1.307 121.607 120.500 -0.333 0.000 2.594 399 R HA 0.218 4.558 4.340 -0.000 0.000 0.272 399 R C 0.698 176.980 176.300 -0.030 0.000 1.074 399 R CA -0.057 55.982 56.100 -0.101 0.000 1.105 399 R CB 0.786 31.123 30.300 0.062 0.000 1.008 399 R HN 0.804 nan 8.270 nan 0.000 0.472 400 R N 1.362 121.867 120.500 0.009 0.000 2.206 400 R HA 0.195 4.535 4.340 -0.000 0.000 0.198 400 R C 0.588 176.926 176.300 0.063 0.000 0.986 400 R CA 0.621 56.741 56.100 0.033 0.000 1.029 400 R CB 0.243 30.568 30.300 0.041 0.000 0.966 400 R HN 0.548 nan 8.270 nan 0.000 0.487 401 I N -3.168 117.397 120.570 -0.009 0.000 3.095 401 I HA 0.381 4.551 4.170 -0.000 0.000 0.310 401 I C -0.924 174.884 176.117 -0.515 0.000 1.196 401 I CA -1.425 59.805 61.300 -0.117 0.000 0.985 401 I CB 1.928 39.895 38.000 -0.055 0.000 1.250 401 I HN -0.291 nan 8.210 nan 0.000 0.446 402 K N 2.643 122.626 120.400 -0.695 0.000 2.484 402 K HA 0.230 4.550 4.320 -0.000 0.000 0.280 402 K C -2.250 174.135 176.600 -0.358 0.000 1.013 402 K CA -0.948 54.755 56.287 -0.973 0.000 1.029 402 K CB 0.245 32.635 32.500 -0.183 0.000 0.902 402 K HN 0.378 nan 8.250 nan 0.000 0.481 403 P HA -0.065 nan 4.420 nan 0.000 0.265 403 P C -0.975 176.347 177.300 0.036 0.000 1.187 403 P CA 0.411 63.426 63.100 -0.142 0.000 0.766 403 P CB 0.186 31.814 31.700 -0.120 0.000 0.820 404 F N 1.268 121.170 119.950 -0.081 0.000 2.650 404 F HA 0.764 5.291 4.527 -0.000 0.000 0.320 404 F C -0.979 174.795 175.800 -0.043 0.000 1.091 404 F CA -1.558 56.401 58.000 -0.069 0.000 0.962 404 F CB 0.829 39.759 39.000 -0.117 0.000 1.363 404 F HN 0.209 nan 8.300 nan 0.000 0.482 405 V N -0.501 119.523 119.914 0.183 0.000 2.815 405 V HA 0.501 4.621 4.120 -0.000 0.000 0.314 405 V C 0.059 176.301 176.094 0.245 0.000 1.064 405 V CA -0.802 61.556 62.300 0.097 0.000 0.952 405 V CB 1.610 33.468 31.823 0.059 0.000 1.020 405 V HN 0.911 nan 8.190 nan 0.000 0.439 406 N N 2.635 121.462 118.700 0.213 0.000 2.396 406 N HA -0.034 4.706 4.740 -0.000 0.000 0.180 406 N C 1.756 177.448 175.510 0.304 0.000 1.028 406 N CA 1.515 54.778 53.050 0.355 0.000 0.893 406 N CB -0.039 38.606 38.487 0.263 0.000 0.967 406 N HN 1.005 nan 8.380 nan 0.000 0.440 407 G N 0.645 109.546 108.800 0.169 0.000 2.509 407 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 407 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 407 G C 0.989 175.939 174.900 0.083 0.000 1.124 407 G CA 0.325 45.498 45.100 0.122 0.000 0.776 407 G HN 0.196 nan 8.290 nan 0.000 0.547 408 D N -0.156 120.253 120.400 0.016 0.000 2.351 408 D HA -0.060 4.580 4.640 -0.000 0.000 0.216 408 D C 1.503 177.678 176.300 -0.208 0.000 0.968 408 D CA 0.396 54.310 54.000 -0.143 0.000 0.899 408 D CB -0.175 40.462 40.800 -0.272 0.000 0.907 408 D HN 0.661 nan 8.370 nan 0.000 0.514 409 W N 1.129 122.426 121.300 -0.004 0.000 3.003 409 W HA 0.015 4.675 4.660 -0.000 0.000 0.257 409 W C 1.230 177.736 176.519 -0.023 0.000 1.308 409 W CA 0.070 57.396 57.345 -0.032 0.000 1.529 409 W CB -0.079 29.367 29.460 -0.023 0.000 1.115 409 W HN -0.176 nan 8.180 nan 0.000 0.659 410 T N -2.107 112.556 114.554 0.181 0.000 2.813 410 T HA 0.100 4.450 4.350 -0.000 0.000 0.297 410 T C -1.502 173.237 174.700 0.064 0.000 1.036 410 T CA -1.313 60.851 62.100 0.107 0.000 1.044 410 T CB 1.309 70.222 68.868 0.075 0.000 0.993 410 T HN -0.267 nan 8.240 nan 0.000 0.535 411 P HA 0.083 nan 4.420 nan 0.000 0.217 411 P C 1.366 178.675 177.300 0.015 0.000 1.150 411 P CA 1.695 64.810 63.100 0.025 0.000 0.832 411 P CB -0.682 31.029 31.700 0.019 0.000 0.787 412 G N -0.370 108.441 108.800 0.019 0.000 2.611 412 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.301 412 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.301 412 G C 0.469 175.380 174.900 0.018 0.000 1.233 412 G CA 0.613 45.723 45.100 0.016 0.000 0.993 412 G HN 0.277 nan 8.290 nan 0.000 0.553 413 M N 1.850 121.463 119.600 0.023 0.000 2.719 413 M HA 0.304 4.784 4.480 -0.000 0.000 0.247 413 M C 2.081 178.403 176.300 0.037 0.000 1.287 413 M CA 1.193 56.515 55.300 0.036 0.000 1.004 413 M CB -0.047 32.586 32.600 0.056 0.000 1.514 413 M HN 0.524 nan 8.290 nan 0.000 0.462 414 T N -0.362 114.203 114.554 0.018 0.000 2.684 414 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 414 T C 1.973 176.667 174.700 -0.009 0.000 1.036 414 T CA 1.673 63.776 62.100 0.005 0.000 1.148 414 T CB -0.211 68.653 68.868 -0.006 0.000 0.863 414 T HN 0.586 nan 8.240 nan 0.000 0.436 415 A N 1.487 124.302 122.820 -0.009 0.000 1.883 415 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 415 A C 2.319 179.888 177.584 -0.025 0.000 1.186 415 A CA 1.915 53.940 52.037 -0.020 0.000 0.624 415 A CB -0.826 18.168 19.000 -0.011 0.000 0.822 415 A HN 0.442 nan 8.150 nan 0.000 0.444 416 Q N -0.171 119.628 119.800 -0.002 0.000 2.077 416 Q HA -0.107 4.233 4.340 -0.000 0.000 0.206 416 Q C 2.293 178.254 176.000 -0.066 0.000 0.989 416 Q CA 2.152 57.957 55.803 0.003 0.000 0.853 416 Q CB -0.685 28.093 28.738 0.067 0.000 0.907 416 Q HN 0.679 nan 8.270 nan 0.000 0.418 417 A N -0.128 122.660 122.820 -0.054 0.000 1.969 417 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 417 A C 2.016 179.477 177.584 -0.205 0.000 1.169 417 A CA 0.989 52.930 52.037 -0.160 0.000 0.635 417 A CB -0.510 18.483 19.000 -0.012 0.000 0.810 417 A HN 0.336 nan 8.150 nan 0.000 0.445 418 L N -1.063 120.080 121.223 -0.132 0.000 2.179 418 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 418 L C 3.012 179.794 176.870 -0.146 0.000 1.096 418 L CA 0.828 55.584 54.840 -0.140 0.000 0.779 418 L CB -0.392 41.608 42.059 -0.098 0.000 0.922 418 L HN 0.415 nan 8.230 nan 0.000 0.443 419 A N -0.321 122.428 122.820 -0.119 0.000 1.897 419 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 419 A C 2.325 179.842 177.584 -0.112 0.000 1.181 419 A CA 1.393 53.374 52.037 -0.093 0.000 0.620 419 A CB -0.743 18.223 19.000 -0.057 0.000 0.821 419 A HN 0.139 nan 8.150 nan 0.000 0.443 420 V N 0.247 120.061 119.914 -0.166 0.000 2.287 420 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 420 V C 2.573 178.513 176.094 -0.257 0.000 1.053 420 V CA 2.153 64.341 62.300 -0.186 0.000 1.027 420 V CB -0.790 30.804 31.823 -0.382 0.000 0.646 420 V HN 0.570 nan 8.190 nan 0.000 0.447 421 L N -0.069 120.888 121.223 -0.443 0.000 2.141 421 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 421 L C 2.694 179.360 176.870 -0.340 0.000 1.094 421 L CA 1.276 55.713 54.840 -0.671 0.000 0.763 421 L CB -0.789 40.929 42.059 -0.570 0.000 0.908 421 L HN 0.346 nan 8.230 nan 0.000 0.437 422 A N 0.263 122.968 122.820 -0.191 0.000 1.940 422 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 422 A C 2.392 179.938 177.584 -0.062 0.000 1.176 422 A CA 2.298 54.270 52.037 -0.108 0.000 0.631 422 A CB -1.057 17.895 19.000 -0.081 0.000 0.814 422 A HN 0.525 nan 8.150 nan 0.000 0.446 423 T N -4.081 110.456 114.554 -0.028 0.000 3.098 423 T HA -0.011 4.339 4.350 -0.000 0.000 0.266 423 T C 1.014 175.565 174.700 -0.249 0.000 1.145 423 T CA 0.725 62.803 62.100 -0.037 0.000 1.092 423 T CB -0.587 68.302 68.868 0.035 0.000 0.908 423 T HN 0.193 nan 8.240 nan 0.000 0.526 424 F N 1.539 121.180 119.950 -0.515 0.000 2.816 424 F HA 0.296 4.823 4.527 -0.000 0.000 0.302 424 F C 2.119 177.651 175.800 -0.446 0.000 1.178 424 F CA -0.142 57.437 58.000 -0.702 0.000 1.421 424 F CB -0.436 38.380 39.000 -0.308 0.000 1.114 424 F HN 0.226 nan 8.300 nan 0.000 0.573 425 T N -1.162 113.294 114.554 -0.163 0.000 3.040 425 T HA 0.538 4.888 4.350 -0.000 0.000 0.266 425 T C 0.689 175.378 174.700 -0.019 0.000 1.005 425 T CA 0.223 62.293 62.100 -0.050 0.000 0.906 425 T CB -0.116 68.735 68.868 -0.029 0.000 1.082 425 T HN 0.098 nan 8.240 nan 0.000 0.531 426 A N 0.000 122.811 122.820 -0.015 0.000 2.254 426 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 426 A CA 0.000 52.079 52.037 0.070 0.000 0.836 426 A CB 0.000 19.038 19.000 0.063 0.000 0.831 426 A HN 0.000 nan 8.150 nan 0.000 0.486