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 2c6t_1_A DATA FIRST_RESID 1 DATA SEQUENCE MENFQKVEKI GEGTYGVVYK ARNKLTGEVV ALKKIRLDTE TEGVPSTAIR DATA SEQUENCE EISLLKELNH PNIVKLLDVI HTENKLYLVF EFLHQDLKKF MDASALTGIP DATA SEQUENCE LPLIKSYLFQ LLQGLAFCHS HRVLHRDLKP QNLLINTEGA IKLADFGLAR DATA SEQUENCE AFGVPVRTYX HEVVTLWYRA PEILLGCKYY STAVDIWSLG CIFAEMVTRR DATA SEQUENCE ALFPGDSEID QLFRIFRTLG TPDEVVWPGV TSMPDYKPSF PKWARQDFSK DATA SEQUENCE VVPPLDEDGR SLLSQMLHYD PNKRISAKAA LAHPFFQDVT KPVPHL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.332 176.300 0.053 0.000 1.140 1 M CA 0.000 55.351 55.300 0.085 0.000 0.988 1 M CB 0.000 32.619 32.600 0.032 0.000 1.302 2 E N -0.259 119.940 120.200 -0.002 0.000 2.371 2 E HA 0.159 4.509 4.350 -0.000 0.000 0.194 2 E C 0.995 177.541 176.600 -0.090 0.000 1.012 2 E CA 0.950 57.330 56.400 -0.033 0.000 0.860 2 E CB -0.313 29.367 29.700 -0.033 0.000 0.811 2 E HN 0.422 nan 8.360 nan 0.000 0.502 3 N N 0.255 118.842 118.700 -0.187 0.000 2.550 3 N HA -0.017 4.723 4.740 -0.000 0.000 0.186 3 N C -0.719 174.493 175.510 -0.496 0.000 1.110 3 N CA 0.521 53.350 53.050 -0.368 0.000 0.912 3 N CB 0.024 38.191 38.487 -0.534 0.000 0.968 3 N HN 0.115 nan 8.380 nan 0.000 0.448 4 F N 0.707 120.599 119.950 -0.097 0.000 2.415 4 F HA 0.292 4.819 4.527 -0.000 0.000 0.348 4 F C 0.611 176.349 175.800 -0.104 0.000 1.119 4 F CA -1.016 56.921 58.000 -0.106 0.000 1.069 4 F CB 1.324 40.236 39.000 -0.148 0.000 1.124 4 F HN -0.256 nan 8.300 nan 0.000 0.472 5 Q N 4.321 124.173 119.800 0.086 0.000 2.398 5 Q HA 0.258 4.598 4.340 -0.000 0.000 0.251 5 Q C -0.691 175.324 176.000 0.025 0.000 0.999 5 Q CA -0.461 55.356 55.803 0.022 0.000 0.874 5 Q CB 0.665 29.398 28.738 -0.010 0.000 1.215 5 Q HN 0.433 nan 8.270 nan 0.000 0.470 6 K N 2.500 122.884 120.400 -0.027 0.000 2.451 6 K HA 0.048 4.368 4.320 -0.000 0.000 0.280 6 K C 0.186 176.773 176.600 -0.020 0.000 1.020 6 K CA -0.092 56.158 56.287 -0.061 0.000 1.008 6 K CB 0.947 33.306 32.500 -0.235 0.000 0.917 6 K HN 0.478 nan 8.250 nan 0.000 0.478 7 V N 1.989 121.916 119.914 0.023 0.000 2.599 7 V HA -0.040 4.080 4.120 -0.000 0.000 0.237 7 V C 0.575 176.706 176.094 0.062 0.000 1.081 7 V CA 0.988 63.303 62.300 0.025 0.000 1.107 7 V CB -0.186 31.639 31.823 0.003 0.000 0.808 7 V HN 0.965 nan 8.190 nan 0.000 0.486 8 E N -0.268 120.008 120.200 0.127 0.000 2.447 8 E HA 0.321 4.671 4.350 -0.000 0.000 0.279 8 E C -1.170 175.602 176.600 0.287 0.000 1.053 8 E CA -0.901 55.601 56.400 0.170 0.000 0.840 8 E CB 1.799 31.568 29.700 0.114 0.000 1.409 8 E HN 0.062 nan 8.360 nan 0.000 0.461 9 K N 1.277 121.820 120.400 0.240 0.000 2.298 9 K HA 0.256 4.576 4.320 -0.000 0.000 0.280 9 K C 0.724 177.348 176.600 0.039 0.000 1.032 9 K CA 0.005 56.346 56.287 0.089 0.000 0.958 9 K CB 0.422 32.936 32.500 0.023 0.000 0.978 9 K HN 0.603 nan 8.250 nan 0.000 0.472 10 I N -0.349 120.212 120.570 -0.015 0.000 4.403 10 I HA 0.417 4.587 4.170 -0.000 0.000 0.331 10 I C 0.495 176.572 176.117 -0.066 0.000 1.327 10 I CA -0.562 60.740 61.300 0.004 0.000 1.175 10 I CB 1.157 39.210 38.000 0.087 0.000 1.165 10 I HN 0.597 nan 8.210 nan 0.000 0.413 11 G N 1.320 110.048 108.800 -0.119 0.000 2.466 11 G HA2 0.446 4.406 3.960 -0.000 0.000 0.291 11 G HA3 0.446 4.406 3.960 -0.000 0.000 0.291 11 G C -2.021 172.774 174.900 -0.174 0.000 1.460 11 G CA -0.437 44.580 45.100 -0.138 0.000 0.791 11 G HN 0.174 nan 8.290 nan 0.000 0.505 12 E N 0.043 120.152 120.200 -0.152 0.000 2.432 12 E HA 0.527 4.877 4.350 -0.000 0.000 0.272 12 E C 0.356 176.876 176.600 -0.132 0.000 0.937 12 E CA -0.327 55.982 56.400 -0.151 0.000 0.812 12 E CB 0.721 30.350 29.700 -0.118 0.000 1.377 12 E HN 0.821 nan 8.360 nan 0.000 0.399 13 G N 1.260 109.967 108.800 -0.155 0.000 3.022 13 G HA2 0.089 4.049 3.960 -0.000 0.000 0.157 13 G HA3 0.089 4.049 3.960 -0.000 0.000 0.157 13 G C 1.039 175.893 174.900 -0.077 0.000 1.468 13 G CA 0.555 45.579 45.100 -0.126 0.000 1.058 13 G HN 0.520 nan 8.290 nan 0.000 0.581 14 T N -1.958 112.576 114.554 -0.032 0.000 2.720 14 T HA -0.028 4.322 4.350 -0.000 0.000 0.268 14 T C 0.734 175.524 174.700 0.151 0.000 1.037 14 T CA 1.672 63.809 62.100 0.061 0.000 1.144 14 T CB -0.595 68.341 68.868 0.114 0.000 0.864 14 T HN 0.784 nan 8.240 nan 0.000 0.444 15 Y N -0.804 119.473 120.300 -0.039 0.000 2.588 15 Y HA 0.617 5.167 4.550 -0.000 0.000 0.343 15 Y C 0.372 176.250 175.900 -0.038 0.000 1.065 15 Y CA -1.151 56.929 58.100 -0.033 0.000 1.038 15 Y CB 1.110 39.556 38.460 -0.023 0.000 1.297 15 Y HN 0.525 nan 8.280 nan 0.000 0.467 16 G N 0.525 109.271 108.800 -0.091 0.000 2.804 16 G HA2 0.007 3.967 3.960 -0.000 0.000 0.230 16 G HA3 0.007 3.967 3.960 -0.000 0.000 0.230 16 G C -1.630 173.149 174.900 -0.202 0.000 1.386 16 G CA -0.366 44.633 45.100 -0.168 0.000 0.875 16 G HN 1.228 nan 8.290 nan 0.000 0.557 17 V N -0.657 119.133 119.914 -0.206 0.000 2.823 17 V HA 0.695 4.815 4.120 -0.000 0.000 0.312 17 V C 0.278 176.137 176.094 -0.393 0.000 1.072 17 V CA -0.670 61.451 62.300 -0.298 0.000 0.937 17 V CB 1.964 33.601 31.823 -0.311 0.000 1.013 17 V HN 1.066 nan 8.190 nan 0.000 0.430 18 V N 3.738 123.383 119.914 -0.448 0.000 2.540 18 V HA 0.556 4.676 4.120 -0.000 0.000 0.302 18 V C -1.211 174.641 176.094 -0.404 0.000 1.035 18 V CA -0.765 61.340 62.300 -0.324 0.000 0.873 18 V CB 1.526 33.243 31.823 -0.176 0.000 0.992 18 V HN 0.759 nan 8.190 nan 0.000 0.428 19 Y N 1.866 122.207 120.300 0.069 0.000 2.487 19 Y HA 0.527 5.077 4.550 -0.000 0.000 0.337 19 Y C 0.324 176.292 175.900 0.113 0.000 1.076 19 Y CA -0.957 57.190 58.100 0.078 0.000 1.115 19 Y CB 1.598 40.097 38.460 0.065 0.000 1.235 19 Y HN 0.516 nan 8.280 nan 0.000 0.468 20 K N 1.840 122.412 120.400 0.286 0.000 2.297 20 K HA 0.719 5.039 4.320 -0.000 0.000 0.286 20 K C -1.005 175.653 176.600 0.096 0.000 1.053 20 K CA -0.108 56.292 56.287 0.189 0.000 0.940 20 K CB 0.334 32.897 32.500 0.104 0.000 1.019 20 K HN 0.824 nan 8.250 nan 0.000 0.475 21 A N 4.544 127.393 122.820 0.048 0.000 2.527 21 A HA 0.646 4.966 4.320 -0.000 0.000 0.293 21 A C -1.254 176.369 177.584 0.065 0.000 1.117 21 A CA -0.992 51.085 52.037 0.065 0.000 0.723 21 A CB 1.436 20.497 19.000 0.102 0.000 1.313 21 A HN 0.804 nan 8.150 nan 0.000 0.411 22 R N 1.326 121.884 120.500 0.098 0.000 2.534 22 R HA 0.295 4.635 4.340 -0.000 0.000 0.301 22 R C -0.867 175.470 176.300 0.062 0.000 0.961 22 R CA -0.930 55.206 56.100 0.060 0.000 0.871 22 R CB 1.611 31.902 30.300 -0.014 0.000 1.170 22 R HN 0.778 nan 8.270 nan 0.000 0.446 23 N N 2.738 121.435 118.700 -0.006 0.000 2.429 23 N HA -0.061 4.678 4.740 -0.000 0.000 0.271 23 N C 0.381 175.781 175.510 -0.183 0.000 1.272 23 N CA 0.508 53.400 53.050 -0.262 0.000 0.921 23 N CB 0.868 39.225 38.487 -0.215 0.000 1.128 23 N HN 0.488 nan 8.380 nan 0.000 0.481 24 K N 2.982 123.255 120.400 -0.212 0.000 2.113 24 K HA -0.105 4.214 4.320 -0.000 0.000 0.208 24 K C 1.561 178.089 176.600 -0.121 0.000 1.047 24 K CA 1.398 57.602 56.287 -0.137 0.000 0.928 24 K CB 0.151 32.571 32.500 -0.134 0.000 0.716 24 K HN 0.550 nan 8.250 nan 0.000 0.446 25 L N -0.768 120.365 121.223 -0.149 0.000 2.221 25 L HA -0.033 4.307 4.340 -0.000 0.000 0.202 25 L C 2.334 179.151 176.870 -0.088 0.000 1.074 25 L CA 1.263 56.036 54.840 -0.112 0.000 0.795 25 L CB -0.343 41.644 42.059 -0.120 0.000 0.960 25 L HN 0.280 nan 8.230 nan 0.000 0.458 26 T N -4.103 110.394 114.554 -0.095 0.000 3.044 26 T HA 0.221 4.571 4.350 -0.000 0.000 0.250 26 T C 1.541 176.214 174.700 -0.046 0.000 1.081 26 T CA 0.546 62.609 62.100 -0.061 0.000 1.040 26 T CB 0.667 69.504 68.868 -0.051 0.000 0.962 26 T HN 0.429 nan 8.240 nan 0.000 0.506 27 G N 1.604 110.371 108.800 -0.055 0.000 2.212 27 G HA2 -0.330 3.629 3.960 -0.000 0.000 0.266 27 G HA3 -0.330 3.629 3.960 -0.000 0.000 0.266 27 G C -0.080 174.807 174.900 -0.022 0.000 0.978 27 G CA 0.431 45.508 45.100 -0.039 0.000 0.632 27 G HN 0.939 nan 8.290 nan 0.000 0.537 28 E N 0.392 120.587 120.200 -0.008 0.000 2.452 28 E HA 0.312 4.662 4.350 -0.000 0.000 0.261 28 E C 0.132 176.755 176.600 0.038 0.000 0.987 28 E CA -0.204 56.211 56.400 0.025 0.000 0.926 28 E CB 0.520 30.250 29.700 0.050 0.000 0.934 28 E HN 0.172 nan 8.360 nan 0.000 0.452 29 V N 6.188 126.115 119.914 0.023 0.000 2.407 29 V HA 0.336 4.456 4.120 -0.000 0.000 0.278 29 V C 0.183 176.319 176.094 0.071 0.000 1.037 29 V CA -0.273 62.008 62.300 -0.032 0.000 0.900 29 V CB 0.985 32.696 31.823 -0.186 0.000 0.983 29 V HN 0.583 nan 8.190 nan 0.000 0.459 30 V N 2.595 122.569 119.914 0.100 0.000 3.160 30 V HA 1.039 5.159 4.120 -0.000 0.000 0.310 30 V C -0.287 175.972 176.094 0.276 0.000 1.181 30 V CA -0.915 61.517 62.300 0.219 0.000 1.047 30 V CB 2.148 34.080 31.823 0.182 0.000 1.068 30 V HN 1.017 nan 8.190 nan 0.000 0.441 31 A N 2.271 125.286 122.820 0.325 0.000 2.288 31 A HA 0.837 5.157 4.320 -0.000 0.000 0.320 31 A C -0.776 176.952 177.584 0.240 0.000 1.217 31 A CA -0.633 51.593 52.037 0.315 0.000 0.840 31 A CB 0.851 20.014 19.000 0.271 0.000 1.179 31 A HN 1.015 nan 8.150 nan 0.000 0.504 32 L N 2.656 123.995 121.223 0.193 0.000 2.298 32 L HA 0.428 4.768 4.340 -0.000 0.000 0.284 32 L C 0.026 177.051 176.870 0.258 0.000 1.013 32 L CA -0.461 54.475 54.840 0.159 0.000 0.824 32 L CB 1.588 43.696 42.059 0.082 0.000 1.221 32 L HN 0.828 nan 8.230 nan 0.000 0.418 33 K N 4.849 125.402 120.400 0.255 0.000 2.185 33 K HA 0.309 4.629 4.320 -0.000 0.000 0.269 33 K C -0.686 176.000 176.600 0.144 0.000 0.987 33 K CA -0.663 55.715 56.287 0.153 0.000 0.865 33 K CB 1.202 33.794 32.500 0.152 0.000 1.090 33 K HN 0.300 nan 8.250 nan 0.000 0.450 34 K N 6.118 126.542 120.400 0.039 0.000 2.293 34 K HA 0.314 4.634 4.320 -0.000 0.000 0.267 34 K C -1.139 175.374 176.600 -0.146 0.000 1.010 34 K CA -0.601 55.599 56.287 -0.146 0.000 0.875 34 K CB 0.680 33.222 32.500 0.071 0.000 1.106 34 K HN 0.632 nan 8.250 nan 0.000 0.450 35 I N 4.305 124.774 120.570 -0.169 0.000 2.382 35 I HA 0.336 4.505 4.170 -0.000 0.000 0.286 35 I C 0.019 176.098 176.117 -0.064 0.000 1.002 35 I CA -0.948 60.335 61.300 -0.028 0.000 1.135 35 I CB 1.605 39.676 38.000 0.119 0.000 1.288 35 I HN 0.327 nan 8.210 nan 0.000 0.448 36 R N 4.658 125.144 120.500 -0.024 0.000 2.543 36 R HA 0.362 4.702 4.340 -0.000 0.000 0.277 36 R C 0.582 176.885 176.300 0.005 0.000 1.074 36 R CA 0.065 56.155 56.100 -0.018 0.000 1.076 36 R CB 0.647 30.948 30.300 0.003 0.000 0.993 36 R HN 0.656 nan 8.270 nan 0.000 0.459 37 L N 0.969 122.198 121.223 0.009 0.000 2.701 37 L HA 0.177 4.517 4.340 -0.000 0.000 0.238 37 L C -0.316 176.567 176.870 0.021 0.000 1.106 37 L CA -0.261 54.592 54.840 0.022 0.000 0.898 37 L CB 0.131 42.214 42.059 0.041 0.000 1.188 37 L HN 0.622 nan 8.230 nan 0.000 0.508 38 D N 1.974 122.386 120.400 0.019 0.000 3.025 38 D HA -0.183 4.457 4.640 -0.000 0.000 0.201 38 D C 1.383 177.693 176.300 0.017 0.000 1.267 38 D CA 1.046 55.056 54.000 0.018 0.000 0.736 38 D CB -0.245 40.564 40.800 0.016 0.000 0.883 38 D HN 0.366 nan 8.370 nan 0.000 0.388 39 T N 0.819 115.384 114.554 0.019 0.000 2.616 39 T HA -0.338 4.012 4.350 -0.000 0.000 0.261 39 T C 1.660 176.369 174.700 0.014 0.000 1.105 39 T CA 1.869 63.980 62.100 0.018 0.000 1.159 39 T CB -0.246 68.632 68.868 0.016 0.000 0.856 39 T HN 0.525 nan 8.240 nan 0.000 0.449 40 E N 0.844 121.051 120.200 0.012 0.000 2.324 40 E HA -0.214 4.136 4.350 -0.000 0.000 0.205 40 E C 2.327 178.932 176.600 0.009 0.000 1.031 40 E CA 1.664 58.070 56.400 0.010 0.000 0.836 40 E CB -0.382 29.324 29.700 0.009 0.000 0.742 40 E HN 0.869 nan 8.360 nan 0.000 0.491 41 T N -1.959 112.600 114.554 0.009 0.000 3.523 41 T HA 0.068 4.418 4.350 -0.000 0.000 0.216 41 T C 1.574 176.278 174.700 0.006 0.000 0.922 41 T CA 0.330 62.434 62.100 0.007 0.000 1.558 41 T CB -0.000 68.872 68.868 0.007 0.000 1.424 41 T HN -0.114 nan 8.240 nan 0.000 0.452 42 E N 0.413 120.616 120.200 0.005 0.000 2.641 42 E HA 0.462 4.811 4.350 -0.000 0.000 0.224 42 E C 0.619 177.220 176.600 0.001 0.000 0.951 42 E CA 0.562 56.963 56.400 0.001 0.000 1.102 42 E CB 0.767 30.465 29.700 -0.003 0.000 1.091 42 E HN 0.988 nan 8.360 nan 0.000 0.507 43 G N -0.205 108.599 108.800 0.006 0.000 2.615 43 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 43 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 43 G C -0.494 174.409 174.900 0.005 0.000 1.339 43 G CA -0.489 44.619 45.100 0.012 0.000 0.884 43 G HN 0.181 nan 8.290 nan 0.000 0.559 44 V N 2.820 122.737 119.914 0.005 0.000 2.521 44 V HA 0.378 4.498 4.120 -0.000 0.000 0.286 44 V C -1.221 174.841 176.094 -0.053 0.000 1.034 44 V CA -0.251 62.039 62.300 -0.018 0.000 1.045 44 V CB 0.831 32.645 31.823 -0.015 0.000 0.974 44 V HN 0.669 nan 8.190 nan 0.000 0.480 45 P HA 0.156 nan 4.420 nan 0.000 0.271 45 P C 0.822 178.018 177.300 -0.173 0.000 1.218 45 P CA -0.215 62.803 63.100 -0.136 0.000 0.780 45 P CB 0.645 32.226 31.700 -0.198 0.000 0.901 46 S N -0.085 115.530 115.700 -0.141 0.000 2.423 46 S HA -0.160 4.310 4.470 -0.000 0.000 0.231 46 S C 1.923 176.421 174.600 -0.169 0.000 1.014 46 S CA 1.539 59.668 58.200 -0.118 0.000 0.965 46 S CB -1.349 61.808 63.200 -0.071 0.000 0.785 46 S HN 0.544 nan 8.310 nan 0.000 0.495 47 T N 1.611 115.998 114.554 -0.277 0.000 2.803 47 T HA -0.013 4.337 4.350 -0.000 0.000 0.269 47 T C 1.770 176.184 174.700 -0.476 0.000 1.052 47 T CA 1.545 63.406 62.100 -0.398 0.000 1.136 47 T CB -0.663 67.877 68.868 -0.547 0.000 0.864 47 T HN 0.619 nan 8.240 nan 0.000 0.467 48 A N 0.078 122.595 122.820 -0.504 0.000 1.911 48 A HA 0.224 4.544 4.320 -0.000 0.000 0.212 48 A C 2.105 179.647 177.584 -0.070 0.000 1.189 48 A CA 0.662 52.571 52.037 -0.214 0.000 0.639 48 A CB -0.576 18.344 19.000 -0.133 0.000 0.839 48 A HN 0.488 nan 8.150 nan 0.000 0.449 49 I N 0.271 120.785 120.570 -0.093 0.000 2.087 49 I HA -0.345 3.824 4.170 -0.000 0.000 0.240 49 I C 2.671 178.771 176.117 -0.029 0.000 1.054 49 I CA 1.935 63.203 61.300 -0.053 0.000 1.311 49 I CB -0.323 37.647 38.000 -0.050 0.000 1.024 49 I HN 0.261 nan 8.210 nan 0.000 0.402 50 R N -0.141 120.340 120.500 -0.032 0.000 2.080 50 R HA -0.234 4.105 4.340 -0.000 0.000 0.236 50 R C 2.316 178.642 176.300 0.044 0.000 1.137 50 R CA 1.904 58.005 56.100 0.002 0.000 0.943 50 R CB -0.515 29.783 30.300 -0.003 0.000 0.846 50 R HN 0.503 nan 8.270 nan 0.000 0.431 51 E N 0.955 121.202 120.200 0.079 0.000 2.051 51 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 51 E C 1.909 178.570 176.600 0.102 0.000 0.991 51 E CA 1.320 57.818 56.400 0.163 0.000 0.799 51 E CB -0.057 29.822 29.700 0.298 0.000 0.748 51 E HN 0.295 nan 8.360 nan 0.000 0.449 52 I N 1.305 121.916 120.570 0.068 0.000 2.202 52 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 52 I C 2.769 178.879 176.117 -0.011 0.000 1.091 52 I CA 1.378 62.686 61.300 0.013 0.000 1.368 52 I CB -0.321 37.672 38.000 -0.012 0.000 1.058 52 I HN 0.221 nan 8.210 nan 0.000 0.410 53 S N 1.238 116.934 115.700 -0.006 0.000 2.368 53 S HA -0.086 4.383 4.470 -0.000 0.000 0.224 53 S C 2.013 176.603 174.600 -0.015 0.000 1.029 53 S CA 0.800 58.993 58.200 -0.012 0.000 0.988 53 S CB -0.880 62.315 63.200 -0.009 0.000 0.838 53 S HN 0.375 nan 8.310 nan 0.000 0.462 54 L N 0.159 121.376 121.223 -0.010 0.000 2.017 54 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 54 L C 2.580 179.392 176.870 -0.097 0.000 1.073 54 L CA 0.836 55.661 54.840 -0.026 0.000 0.745 54 L CB -0.675 41.398 42.059 0.023 0.000 0.894 54 L HN 0.295 nan 8.230 nan 0.000 0.432 55 L N -0.018 121.127 121.223 -0.130 0.000 2.141 55 L HA -0.147 4.192 4.340 -0.000 0.000 0.209 55 L C 2.538 179.349 176.870 -0.098 0.000 1.094 55 L CA 1.541 56.272 54.840 -0.181 0.000 0.763 55 L CB -0.933 41.062 42.059 -0.108 0.000 0.908 55 L HN 0.159 nan 8.230 nan 0.000 0.437 56 K N 0.397 120.760 120.400 -0.061 0.000 2.152 56 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 56 K C 1.206 177.798 176.600 -0.014 0.000 1.048 56 K CA 1.466 57.731 56.287 -0.038 0.000 0.933 56 K CB -0.054 32.430 32.500 -0.026 0.000 0.721 56 K HN 0.639 nan 8.250 nan 0.000 0.447 57 E N 0.011 120.205 120.200 -0.010 0.000 2.558 57 E HA 0.119 4.469 4.350 -0.000 0.000 0.205 57 E C 0.152 176.777 176.600 0.043 0.000 1.006 57 E CA -0.117 56.301 56.400 0.030 0.000 0.961 57 E CB 0.097 29.823 29.700 0.044 0.000 1.044 57 E HN 0.052 nan 8.360 nan 0.000 0.465 58 L N 2.227 123.449 121.223 -0.002 0.000 2.843 58 L HA 0.280 4.620 4.340 -0.000 0.000 0.234 58 L C -0.153 176.745 176.870 0.048 0.000 1.264 58 L CA -0.363 54.501 54.840 0.040 0.000 1.052 58 L CB 0.150 42.113 42.059 -0.161 0.000 1.372 58 L HN 0.221 nan 8.230 nan 0.000 0.466 59 N N 1.580 120.342 118.700 0.103 0.000 2.469 59 N HA 0.150 4.890 4.740 -0.000 0.000 0.239 59 N C -1.023 174.385 175.510 -0.170 0.000 1.053 59 N CA -0.186 52.859 53.050 -0.008 0.000 0.937 59 N CB 0.493 38.989 38.487 0.015 0.000 1.163 59 N HN 0.458 nan 8.380 nan 0.000 0.509 60 H N 2.842 121.678 119.070 -0.390 0.000 3.046 60 H HA 0.297 4.853 4.556 -0.000 0.000 0.363 60 H C -2.161 172.974 175.328 -0.321 0.000 1.203 60 H CA -1.258 54.428 56.048 -0.604 0.000 1.169 60 H CB 1.953 31.000 29.762 -1.192 0.000 1.851 60 H HN 0.265 nan 8.280 nan 0.000 0.546 61 P HA -0.089 nan 4.420 nan 0.000 0.218 61 P C -0.152 177.084 177.300 -0.107 0.000 1.146 61 P CA 1.417 64.334 63.100 -0.305 0.000 0.813 61 P CB 0.173 31.642 31.700 -0.385 0.000 0.778 62 N N -1.358 117.405 118.700 0.105 0.000 2.235 62 N HA 0.206 4.945 4.740 -0.000 0.000 0.209 62 N C -0.038 175.522 175.510 0.083 0.000 1.122 62 N CA -0.068 53.045 53.050 0.106 0.000 0.845 62 N CB 0.203 38.758 38.487 0.114 0.000 1.004 62 N HN 0.144 nan 8.380 nan 0.000 0.499 63 I N 0.582 121.205 120.570 0.088 0.000 2.509 63 I HA 0.283 4.453 4.170 -0.000 0.000 0.293 63 I C -0.166 175.988 176.117 0.061 0.000 1.020 63 I CA -1.294 60.060 61.300 0.090 0.000 1.088 63 I CB 2.237 40.274 38.000 0.061 0.000 1.267 63 I HN -0.263 nan 8.210 nan 0.000 0.430 64 V N 5.150 125.120 119.914 0.092 0.000 2.599 64 V HA -0.002 4.118 4.120 -0.000 0.000 0.300 64 V C 0.504 176.700 176.094 0.169 0.000 1.034 64 V CA -0.105 62.251 62.300 0.093 0.000 1.115 64 V CB 0.487 32.327 31.823 0.029 0.000 0.934 64 V HN 0.661 nan 8.190 nan 0.000 0.485 65 K N 4.072 124.567 120.400 0.157 0.000 2.276 65 K HA 0.382 4.701 4.320 -0.000 0.000 0.283 65 K C -0.689 176.003 176.600 0.153 0.000 1.044 65 K CA -0.741 55.615 56.287 0.115 0.000 0.944 65 K CB 0.896 33.426 32.500 0.051 0.000 1.012 65 K HN 0.524 nan 8.250 nan 0.000 0.472 66 L N 6.286 127.509 121.223 -0.000 0.000 2.281 66 L HA 0.187 4.527 4.340 -0.000 0.000 0.285 66 L C 0.088 176.857 176.870 -0.169 0.000 1.074 66 L CA 0.360 55.038 54.840 -0.270 0.000 0.817 66 L CB 0.787 42.657 42.059 -0.316 0.000 1.168 66 L HN 0.851 nan 8.230 nan 0.000 0.434 67 L N 2.777 123.894 121.223 -0.176 0.000 2.316 67 L HA 0.368 4.708 4.340 -0.000 0.000 0.207 67 L C -0.113 176.716 176.870 -0.068 0.000 1.070 67 L CA 0.240 55.037 54.840 -0.071 0.000 0.820 67 L CB 0.160 42.212 42.059 -0.011 0.000 0.992 67 L HN 0.639 nan 8.230 nan 0.000 0.466 68 D N -1.878 118.452 120.400 -0.116 0.000 2.663 68 D HA 0.337 4.977 4.640 -0.000 0.000 0.233 68 D C -1.429 174.813 176.300 -0.097 0.000 1.240 68 D CA -0.195 53.766 54.000 -0.065 0.000 0.774 68 D CB 2.626 43.429 40.800 0.005 0.000 1.443 68 D HN -0.345 nan 8.370 nan 0.000 0.441 69 V N 2.937 122.826 119.914 -0.042 0.000 2.376 69 V HA 0.482 4.602 4.120 -0.000 0.000 0.287 69 V C 0.035 176.162 176.094 0.055 0.000 1.015 69 V CA -0.581 61.706 62.300 -0.022 0.000 0.834 69 V CB 1.120 32.922 31.823 -0.035 0.000 1.001 69 V HN 0.434 nan 8.190 nan 0.000 0.428 70 I N 4.400 125.030 120.570 0.099 0.000 2.312 70 I HA 0.360 4.529 4.170 -0.000 0.000 0.290 70 I C 0.152 176.418 176.117 0.248 0.000 1.008 70 I CA -0.141 61.259 61.300 0.167 0.000 1.226 70 I CB 0.689 38.782 38.000 0.156 0.000 1.371 70 I HN 0.666 nan 8.210 nan 0.000 0.468 71 H N 5.989 125.119 119.070 0.100 0.000 2.539 71 H HA 0.249 4.804 4.556 -0.000 0.000 0.247 71 H C 0.306 175.681 175.328 0.077 0.000 1.363 71 H CA -0.701 55.394 56.048 0.078 0.000 1.371 71 H CB 0.572 30.362 29.762 0.048 0.000 1.438 71 H HN 0.738 nan 8.280 nan 0.000 0.523 72 T N -0.632 114.074 114.554 0.252 0.000 2.689 72 T HA -0.033 4.317 4.350 -0.000 0.000 0.308 72 T C 1.159 175.900 174.700 0.068 0.000 1.021 72 T CA -0.474 61.703 62.100 0.128 0.000 0.973 72 T CB 1.359 70.319 68.868 0.152 0.000 1.113 72 T HN 0.646 nan 8.240 nan 0.000 0.522 73 E N -0.017 120.197 120.200 0.024 0.000 2.276 73 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 73 E C 1.849 178.474 176.600 0.043 0.000 0.983 73 E CA 0.879 57.282 56.400 0.006 0.000 0.861 73 E CB -0.080 29.611 29.700 -0.015 0.000 0.817 73 E HN 0.867 nan 8.360 nan 0.000 0.485 74 N N -0.376 118.354 118.700 0.051 0.000 2.251 74 N HA -0.035 4.705 4.740 -0.000 0.000 0.181 74 N C 0.406 175.937 175.510 0.036 0.000 1.019 74 N CA 0.371 53.447 53.050 0.044 0.000 0.862 74 N CB 0.246 38.759 38.487 0.043 0.000 0.992 74 N HN -0.176 nan 8.380 nan 0.000 0.429 75 K N -0.469 119.955 120.400 0.039 0.000 2.395 75 K HA 0.509 4.829 4.320 -0.000 0.000 0.245 75 K C -1.862 174.731 176.600 -0.012 0.000 1.017 75 K CA -0.931 55.325 56.287 -0.052 0.000 0.852 75 K CB 2.475 34.851 32.500 -0.206 0.000 1.311 75 K HN -0.048 nan 8.250 nan 0.000 0.452 76 L N 1.421 122.567 121.223 -0.128 0.000 2.362 76 L HA 0.507 4.847 4.340 -0.000 0.000 0.275 76 L C -1.912 174.845 176.870 -0.189 0.000 0.998 76 L CA -0.344 54.451 54.840 -0.075 0.000 0.820 76 L CB 1.118 43.120 42.059 -0.094 0.000 1.270 76 L HN 0.508 nan 8.230 nan 0.000 0.415 77 Y N 4.858 125.168 120.300 0.017 0.000 2.391 77 Y HA 0.624 5.174 4.550 -0.000 0.000 0.341 77 Y C -0.726 175.137 175.900 -0.061 0.000 0.965 77 Y CA -0.684 57.411 58.100 -0.009 0.000 1.067 77 Y CB 2.010 40.456 38.460 -0.024 0.000 1.199 77 Y HN 0.370 nan 8.280 nan 0.000 0.450 78 L N 4.636 125.917 121.223 0.097 0.000 2.313 78 L HA 0.625 4.965 4.340 -0.000 0.000 0.283 78 L C -0.906 175.866 176.870 -0.163 0.000 1.013 78 L CA -1.190 53.586 54.840 -0.106 0.000 0.816 78 L CB 1.546 43.523 42.059 -0.135 0.000 1.236 78 L HN 0.286 nan 8.230 nan 0.000 0.419 79 V N 3.605 123.342 119.914 -0.296 0.000 2.370 79 V HA 0.433 4.553 4.120 -0.000 0.000 0.279 79 V C -0.324 175.605 176.094 -0.275 0.000 1.029 79 V CA -0.250 61.922 62.300 -0.214 0.000 0.870 79 V CB 1.117 32.840 31.823 -0.167 0.000 0.984 79 V HN 0.404 nan 8.190 nan 0.000 0.451 80 F N 2.063 122.021 119.950 0.013 0.000 2.556 80 F HA 0.473 5.000 4.527 -0.000 0.000 0.327 80 F C 0.740 176.580 175.800 0.066 0.000 1.059 80 F CA -1.039 56.980 58.000 0.031 0.000 0.953 80 F CB 1.402 40.416 39.000 0.023 0.000 1.227 80 F HN 0.631 nan 8.300 nan 0.000 0.478 81 E N 1.191 121.553 120.200 0.271 0.000 2.442 81 E HA 0.010 4.360 4.350 -0.000 0.000 0.262 81 E C -1.097 175.640 176.600 0.229 0.000 1.004 81 E CA -0.287 56.235 56.400 0.204 0.000 0.928 81 E CB 0.602 30.382 29.700 0.133 0.000 0.937 81 E HN 0.473 nan 8.360 nan 0.000 0.446 82 F N 3.590 123.593 119.950 0.088 0.000 2.427 82 F HA 0.339 4.866 4.527 -0.000 0.000 0.352 82 F C -1.097 174.739 175.800 0.059 0.000 1.100 82 F CA -0.584 57.460 58.000 0.074 0.000 1.191 82 F CB 0.506 39.552 39.000 0.075 0.000 1.128 82 F HN 0.401 nan 8.300 nan 0.000 0.533 83 L N 6.682 127.443 121.223 -0.770 0.000 2.346 83 L HA 0.256 4.596 4.340 -0.000 0.000 0.276 83 L C 1.051 177.339 176.870 -0.971 0.000 1.006 83 L CA -0.605 53.869 54.840 -0.610 0.000 0.817 83 L CB 1.596 43.466 42.059 -0.315 0.000 1.272 83 L HN 0.676 nan 8.230 nan 0.000 0.421 84 H N 1.307 120.045 119.070 -0.553 0.000 2.535 84 H HA 0.144 4.700 4.556 -0.000 0.000 0.273 84 H C -0.096 175.138 175.328 -0.157 0.000 0.983 84 H CA 0.255 56.135 56.048 -0.280 0.000 1.238 84 H CB 0.706 30.529 29.762 0.102 0.000 1.412 84 H HN 0.656 nan 8.280 nan 0.000 0.562 85 Q N 1.125 120.620 119.800 -0.507 0.000 2.426 85 Q HA 0.236 4.576 4.340 -0.000 0.000 0.278 85 Q C -1.831 173.997 176.000 -0.287 0.000 1.007 85 Q CA -0.877 54.658 55.803 -0.446 0.000 0.850 85 Q CB 2.264 30.612 28.738 -0.650 0.000 1.427 85 Q HN 0.377 nan 8.270 nan 0.000 0.391 86 D N 1.380 121.661 120.400 -0.199 0.000 2.326 86 D HA 0.140 4.780 4.640 -0.000 0.000 0.251 86 D C 0.607 176.848 176.300 -0.098 0.000 1.023 86 D CA -0.681 53.219 54.000 -0.165 0.000 0.966 86 D CB 0.924 41.637 40.800 -0.145 0.000 1.156 86 D HN 0.511 nan 8.370 nan 0.000 0.494 87 L N 0.456 121.615 121.223 -0.107 0.000 2.191 87 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 87 L C 2.096 179.018 176.870 0.087 0.000 1.103 87 L CA 1.697 56.528 54.840 -0.014 0.000 0.769 87 L CB -0.558 41.455 42.059 -0.077 0.000 0.908 87 L HN 0.589 nan 8.230 nan 0.000 0.438 88 K N -0.339 120.076 120.400 0.025 0.000 2.002 88 K HA -0.262 4.058 4.320 -0.000 0.000 0.209 88 K C 2.293 178.928 176.600 0.059 0.000 1.048 88 K CA 1.785 58.099 56.287 0.044 0.000 0.930 88 K CB -0.122 32.386 32.500 0.014 0.000 0.714 88 K HN 0.262 nan 8.250 nan 0.000 0.438 89 K N -0.320 120.106 120.400 0.043 0.000 2.147 89 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 89 K C 1.999 178.656 176.600 0.095 0.000 1.049 89 K CA 1.215 57.528 56.287 0.043 0.000 0.936 89 K CB -0.159 32.346 32.500 0.009 0.000 0.722 89 K HN 0.106 nan 8.250 nan 0.000 0.446 90 F N 0.994 120.934 119.950 -0.018 0.000 2.206 90 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 90 F C 1.939 177.764 175.800 0.042 0.000 1.090 90 F CA 1.260 59.272 58.000 0.021 0.000 1.323 90 F CB 0.000 39.029 39.000 0.049 0.000 1.028 90 F HN -0.038 nan 8.300 nan 0.000 0.492 91 M N -0.236 119.423 119.600 0.099 0.000 2.254 91 M HA -0.160 4.320 4.480 -0.000 0.000 0.265 91 M C 1.469 177.742 176.300 -0.045 0.000 1.066 91 M CA 1.369 56.675 55.300 0.010 0.000 1.123 91 M CB -0.367 32.286 32.600 0.089 0.000 1.388 91 M HN -0.000 nan 8.290 nan 0.000 0.425 92 D N 0.643 121.032 120.400 -0.019 0.000 2.123 92 D HA -0.050 4.589 4.640 -0.000 0.000 0.200 92 D C 1.863 178.127 176.300 -0.060 0.000 0.976 92 D CA 1.377 55.361 54.000 -0.026 0.000 0.831 92 D CB -0.186 40.614 40.800 0.000 0.000 0.974 92 D HN 0.295 nan 8.370 nan 0.000 0.469 93 A N 0.176 122.943 122.820 -0.087 0.000 2.172 93 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 93 A C 1.204 178.690 177.584 -0.164 0.000 1.154 93 A CA 0.941 52.915 52.037 -0.106 0.000 0.701 93 A CB -0.014 18.934 19.000 -0.086 0.000 0.789 93 A HN 0.172 nan 8.150 nan 0.000 0.465 94 S N -1.253 114.315 115.700 -0.220 0.000 2.740 94 S HA 0.570 5.040 4.470 -0.000 0.000 0.244 94 S C 1.068 175.592 174.600 -0.127 0.000 1.101 94 S CA 0.107 58.187 58.200 -0.200 0.000 1.123 94 S CB 0.473 63.483 63.200 -0.316 0.000 1.012 94 S HN 0.601 nan 8.310 nan 0.000 0.491 95 A N 2.079 124.846 122.820 -0.088 0.000 1.883 95 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 95 A C 1.889 179.441 177.584 -0.054 0.000 1.186 95 A CA 1.324 53.326 52.037 -0.059 0.000 0.624 95 A CB -0.633 18.342 19.000 -0.043 0.000 0.822 95 A HN 0.559 nan 8.150 nan 0.000 0.444 96 L N -0.773 120.420 121.223 -0.050 0.000 1.993 96 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 96 L C 2.844 179.689 176.870 -0.041 0.000 1.074 96 L CA 1.853 56.669 54.840 -0.041 0.000 0.746 96 L CB -0.910 41.130 42.059 -0.033 0.000 0.896 96 L HN 0.493 nan 8.230 nan 0.000 0.435 97 T N -1.230 113.297 114.554 -0.045 0.000 2.995 97 T HA 0.172 4.522 4.350 -0.000 0.000 0.269 97 T C 1.019 175.693 174.700 -0.043 0.000 1.091 97 T CA 0.474 62.551 62.100 -0.039 0.000 1.128 97 T CB -0.518 68.329 68.868 -0.035 0.000 0.891 97 T HN 0.551 nan 8.240 nan 0.000 0.492 98 G N 1.547 110.313 108.800 -0.056 0.000 2.801 98 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 98 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 98 G C -0.450 174.420 174.900 -0.050 0.000 1.507 98 G CA -0.770 44.301 45.100 -0.048 0.000 0.980 98 G HN 0.590 nan 8.290 nan 0.000 0.589 99 I N 3.162 123.717 120.570 -0.024 0.000 2.556 99 I HA 0.210 4.380 4.170 -0.000 0.000 0.284 99 I C -1.200 174.938 176.117 0.035 0.000 1.114 99 I CA -1.493 59.818 61.300 0.019 0.000 1.418 99 I CB 0.723 38.807 38.000 0.139 0.000 1.394 99 I HN 0.337 nan 8.210 nan 0.000 0.552 100 P HA -0.090 nan 4.420 nan 0.000 0.264 100 P C 0.608 177.920 177.300 0.020 0.000 1.183 100 P CA -0.281 62.824 63.100 0.009 0.000 0.763 100 P CB 0.818 32.511 31.700 -0.010 0.000 0.807 101 L N 6.725 127.965 121.223 0.028 0.000 2.043 101 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 101 L C -0.885 175.991 176.870 0.009 0.000 1.075 101 L CA 2.471 57.343 54.840 0.054 0.000 0.752 101 L CB -2.485 39.610 42.059 0.060 0.000 0.891 101 L HN 0.312 nan 8.230 nan 0.000 0.432 102 P HA -0.186 nan 4.420 nan 0.000 0.216 102 P C 1.947 179.193 177.300 -0.089 0.000 1.150 102 P CA 1.162 64.216 63.100 -0.076 0.000 0.843 102 P CB -0.081 31.573 31.700 -0.077 0.000 0.787 103 L N -1.204 119.960 121.223 -0.098 0.000 2.156 103 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 103 L C 2.095 178.841 176.870 -0.208 0.000 1.095 103 L CA 1.399 56.098 54.840 -0.234 0.000 0.770 103 L CB -1.055 40.874 42.059 -0.217 0.000 0.914 103 L HN -0.107 nan 8.230 nan 0.000 0.439 104 I N -0.703 119.871 120.570 0.006 0.000 2.142 104 I HA -0.335 3.835 4.170 -0.000 0.000 0.240 104 I C 2.496 178.721 176.117 0.181 0.000 1.078 104 I CA 1.328 62.722 61.300 0.157 0.000 1.343 104 I CB -0.362 37.787 38.000 0.249 0.000 1.046 104 I HN 0.216 nan 8.210 nan 0.000 0.405 105 K N 0.548 121.024 120.400 0.126 0.000 2.034 105 K HA -0.273 4.047 4.320 -0.000 0.000 0.214 105 K C 2.398 179.133 176.600 0.225 0.000 1.051 105 K CA 2.281 58.630 56.287 0.103 0.000 0.931 105 K CB -0.213 32.172 32.500 -0.192 0.000 0.715 105 K HN 0.225 nan 8.250 nan 0.000 0.446 106 S N -0.685 115.065 115.700 0.084 0.000 2.355 106 S HA -0.149 4.321 4.470 -0.000 0.000 0.222 106 S C 1.979 176.724 174.600 0.241 0.000 1.031 106 S CA 0.875 59.141 58.200 0.110 0.000 0.993 106 S CB -0.415 62.776 63.200 -0.014 0.000 0.859 106 S HN 0.337 nan 8.310 nan 0.000 0.453 107 Y N 1.301 121.649 120.300 0.079 0.000 2.114 107 Y HA -0.062 4.488 4.550 -0.000 0.000 0.282 107 Y C 2.417 178.344 175.900 0.044 0.000 1.165 107 Y CA 0.774 58.897 58.100 0.039 0.000 1.148 107 Y CB -1.385 37.090 38.460 0.025 0.000 0.972 107 Y HN 0.295 nan 8.280 nan 0.000 0.504 108 L N -0.842 120.537 121.223 0.261 0.000 2.012 108 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 108 L C 2.330 179.256 176.870 0.093 0.000 1.073 108 L CA 1.593 56.531 54.840 0.164 0.000 0.748 108 L CB -1.198 40.939 42.059 0.129 0.000 0.891 108 L HN 0.150 nan 8.230 nan 0.000 0.431 109 F N 0.103 119.989 119.950 -0.107 0.000 2.065 109 F HA -0.316 4.211 4.527 -0.000 0.000 0.298 109 F C 2.563 178.213 175.800 -0.251 0.000 1.112 109 F CA 2.167 59.850 58.000 -0.529 0.000 1.212 109 F CB -0.423 38.288 39.000 -0.481 0.000 0.975 109 F HN 0.222 nan 8.300 nan 0.000 0.476 110 Q N -0.088 119.696 119.800 -0.028 0.000 2.084 110 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 110 Q C 2.371 178.292 176.000 -0.131 0.000 0.978 110 Q CA 1.884 57.641 55.803 -0.076 0.000 0.844 110 Q CB -0.346 28.425 28.738 0.054 0.000 0.898 110 Q HN 0.467 nan 8.270 nan 0.000 0.426 111 L N 0.206 121.367 121.223 -0.103 0.000 2.083 111 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 111 L C 2.249 179.020 176.870 -0.165 0.000 1.083 111 L CA 0.885 55.649 54.840 -0.126 0.000 0.752 111 L CB -0.294 41.705 42.059 -0.099 0.000 0.899 111 L HN 0.251 nan 8.230 nan 0.000 0.433 112 L N -0.949 120.157 121.223 -0.195 0.000 2.083 112 L HA -0.247 4.092 4.340 -0.000 0.000 0.209 112 L C 2.674 179.384 176.870 -0.267 0.000 1.083 112 L CA 1.270 55.980 54.840 -0.215 0.000 0.752 112 L CB -0.382 41.538 42.059 -0.231 0.000 0.899 112 L HN 0.336 nan 8.230 nan 0.000 0.433 113 Q N -0.565 119.022 119.800 -0.356 0.000 2.079 113 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 113 Q C 2.279 178.119 176.000 -0.266 0.000 0.974 113 Q CA 1.483 57.112 55.803 -0.290 0.000 0.840 113 Q CB -0.366 28.203 28.738 -0.282 0.000 0.898 113 Q HN 0.599 nan 8.270 nan 0.000 0.430 114 G N 0.610 109.256 108.800 -0.257 0.000 2.422 114 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 114 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 114 G C 1.315 176.076 174.900 -0.232 0.000 1.140 114 G CA 0.441 45.329 45.100 -0.353 0.000 0.775 114 G HN 0.224 nan 8.290 nan 0.000 0.545 115 L N 0.906 121.998 121.223 -0.218 0.000 2.179 115 L HA 0.368 4.708 4.340 -0.000 0.000 0.208 115 L C 2.986 179.645 176.870 -0.352 0.000 1.096 115 L CA 1.623 56.287 54.840 -0.293 0.000 0.779 115 L CB -0.407 41.463 42.059 -0.315 0.000 0.922 115 L HN 0.198 nan 8.230 nan 0.000 0.443 116 A N -0.980 121.724 122.820 -0.193 0.000 1.933 116 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 116 A C 2.224 179.827 177.584 0.031 0.000 1.175 116 A CA 1.720 53.720 52.037 -0.061 0.000 0.628 116 A CB -1.054 17.931 19.000 -0.024 0.000 0.814 116 A HN 0.478 nan 8.150 nan 0.000 0.444 117 F N 0.543 120.376 119.950 -0.195 0.000 2.102 117 F HA -0.253 4.274 4.527 -0.000 0.000 0.298 117 F C 2.562 178.327 175.800 -0.058 0.000 1.105 117 F CA 1.629 59.521 58.000 -0.180 0.000 1.239 117 F CB -0.621 38.066 39.000 -0.522 0.000 0.991 117 F HN 0.335 nan 8.300 nan 0.000 0.474 118 C N 0.202 119.550 119.300 0.080 0.000 2.396 118 C HA -0.275 4.185 4.460 -0.000 0.000 0.281 118 C C 2.712 177.879 174.990 0.295 0.000 1.208 118 C CA 1.479 60.597 59.018 0.168 0.000 1.754 118 C CB -1.700 26.191 27.740 0.252 0.000 2.044 118 C HN 0.524 nan 8.230 nan 0.000 0.449 119 H N 1.202 120.404 119.070 0.220 0.000 2.321 119 H HA -0.127 4.429 4.556 -0.000 0.000 0.295 119 H C 2.553 178.022 175.328 0.236 0.000 1.102 119 H CA 2.199 58.425 56.048 0.297 0.000 1.266 119 H CB -1.063 28.825 29.762 0.211 0.000 1.363 119 H HN 0.638 nan 8.280 nan 0.000 0.492 120 S N 0.395 116.248 115.700 0.255 0.000 2.507 120 S HA -0.126 4.344 4.470 -0.000 0.000 0.235 120 S C 0.912 175.489 174.600 -0.038 0.000 0.988 120 S CA 0.658 58.922 58.200 0.107 0.000 0.944 120 S CB -0.231 63.013 63.200 0.073 0.000 0.762 120 S HN 0.460 nan 8.310 nan 0.000 0.526 121 H N 1.751 120.723 119.070 -0.165 0.000 2.503 121 H HA 0.398 4.954 4.556 -0.000 0.000 0.296 121 H C 0.563 175.791 175.328 -0.168 0.000 1.097 121 H CA 0.085 56.006 56.048 -0.211 0.000 1.055 121 H CB -0.088 29.491 29.762 -0.304 0.000 1.580 121 H HN 0.551 nan 8.280 nan 0.000 0.546 122 R N -1.631 118.783 120.500 -0.143 0.000 3.484 122 R HA -0.158 4.182 4.340 -0.000 0.000 0.260 122 R C -1.485 174.663 176.300 -0.253 0.000 1.053 122 R CA 0.614 56.354 56.100 -0.600 0.000 0.703 122 R CB -3.200 26.611 30.300 -0.815 0.000 1.089 122 R HN 0.110 nan 8.270 nan 0.000 0.459 123 V N 1.042 121.098 119.914 0.237 0.000 2.459 123 V HA 0.500 4.620 4.120 -0.000 0.000 0.295 123 V C 0.549 176.996 176.094 0.589 0.000 1.029 123 V CA -0.897 61.625 62.300 0.370 0.000 0.874 123 V CB 1.839 33.835 31.823 0.289 0.000 0.985 123 V HN 0.297 nan 8.190 nan 0.000 0.438 124 L N 3.925 125.444 121.223 0.492 0.000 2.295 124 L HA 0.480 4.820 4.340 -0.000 0.000 0.285 124 L C 1.279 178.339 176.870 0.315 0.000 1.035 124 L CA -0.596 54.471 54.840 0.379 0.000 0.806 124 L CB 1.234 43.431 42.059 0.230 0.000 1.214 124 L HN 0.749 nan 8.230 nan 0.000 0.426 125 H N 4.414 123.588 119.070 0.173 0.000 2.355 125 H HA 0.057 4.613 4.556 -0.000 0.000 0.303 125 H C 0.729 176.029 175.328 -0.046 0.000 1.061 125 H CA 1.190 57.213 56.048 -0.042 0.000 1.368 125 H CB 0.559 30.188 29.762 -0.222 0.000 1.412 125 H HN 0.614 nan 8.280 nan 0.000 0.523 126 R N -0.112 120.519 120.500 0.217 0.000 3.989 126 R HA -0.178 4.162 4.340 -0.000 0.000 0.377 126 R C -0.646 175.713 176.300 0.099 0.000 1.158 126 R CA 1.062 57.234 56.100 0.120 0.000 1.035 126 R CB -1.589 28.762 30.300 0.086 0.000 1.557 126 R HN 0.335 nan 8.270 nan 0.000 0.551 127 D N 0.155 120.696 120.400 0.235 0.000 3.007 127 D HA 0.212 4.851 4.640 -0.000 0.000 0.363 127 D C -0.570 175.775 176.300 0.074 0.000 1.474 127 D CA -0.186 53.889 54.000 0.126 0.000 0.767 127 D CB 0.358 41.176 40.800 0.032 0.000 1.227 127 D HN 0.109 nan 8.370 nan 0.000 0.471 128 L N 1.800 122.999 121.223 -0.040 0.000 2.360 128 L HA 0.361 4.701 4.340 -0.000 0.000 0.276 128 L C 0.599 177.284 176.870 -0.309 0.000 1.121 128 L CA 0.273 54.960 54.840 -0.255 0.000 0.845 128 L CB 0.475 42.371 42.059 -0.272 0.000 1.143 128 L HN 0.070 nan 8.230 nan 0.000 0.452 129 K N 2.229 122.373 120.400 -0.427 0.000 2.615 129 K HA 0.437 4.757 4.320 -0.000 0.000 0.291 129 K C -2.835 173.497 176.600 -0.448 0.000 1.017 129 K CA -1.541 54.300 56.287 -0.745 0.000 0.882 129 K CB 1.438 33.502 32.500 -0.727 0.000 1.522 129 K HN -0.098 nan 8.250 nan 0.000 0.412 130 P HA -0.221 nan 4.420 nan 0.000 0.216 130 P C 0.775 177.984 177.300 -0.151 0.000 1.150 130 P CA 1.308 64.302 63.100 -0.178 0.000 0.837 130 P CB 0.118 31.787 31.700 -0.052 0.000 0.786 131 Q N -1.572 118.139 119.800 -0.148 0.000 2.472 131 Q HA 0.012 4.352 4.340 -0.000 0.000 0.208 131 Q C 0.653 176.561 176.000 -0.153 0.000 0.958 131 Q CA 1.036 56.762 55.803 -0.129 0.000 0.932 131 Q CB -0.962 27.715 28.738 -0.102 0.000 1.007 131 Q HN 0.268 nan 8.270 nan 0.000 0.508 132 N N 0.419 119.013 118.700 -0.176 0.000 2.236 132 N HA 0.236 4.976 4.740 -0.000 0.000 0.196 132 N C -0.514 174.883 175.510 -0.188 0.000 1.114 132 N CA 0.093 53.042 53.050 -0.167 0.000 0.859 132 N CB 0.648 39.050 38.487 -0.141 0.000 0.982 132 N HN 0.227 nan 8.380 nan 0.000 0.493 133 L N 1.314 122.414 121.223 -0.204 0.000 2.280 133 L HA 0.483 4.823 4.340 -0.000 0.000 0.287 133 L C -0.411 176.319 176.870 -0.232 0.000 1.023 133 L CA -0.454 54.253 54.840 -0.222 0.000 0.819 133 L CB 1.583 43.499 42.059 -0.239 0.000 1.212 133 L HN -0.260 nan 8.230 nan 0.000 0.420 134 L N 5.313 126.398 121.223 -0.230 0.000 2.317 134 L HA 0.642 4.982 4.340 -0.000 0.000 0.281 134 L C -0.149 176.567 176.870 -0.256 0.000 1.024 134 L CA -0.729 53.968 54.840 -0.238 0.000 0.810 134 L CB 2.077 44.004 42.059 -0.221 0.000 1.240 134 L HN 0.597 nan 8.230 nan 0.000 0.427 135 I N -0.166 120.251 120.570 -0.256 0.000 2.603 135 I HA 0.585 4.755 4.170 -0.000 0.000 0.300 135 I C -0.653 175.438 176.117 -0.043 0.000 1.017 135 I CA -0.759 60.408 61.300 -0.221 0.000 1.098 135 I CB 2.002 39.798 38.000 -0.339 0.000 1.279 135 I HN 0.585 nan 8.210 nan 0.000 0.437 136 N N 1.457 120.160 118.700 0.007 0.000 2.671 136 N HA 0.364 5.104 4.740 -0.000 0.000 0.303 136 N C 0.619 176.167 175.510 0.064 0.000 1.277 136 N CA -0.114 52.982 53.050 0.078 0.000 0.933 136 N CB 0.393 38.887 38.487 0.011 0.000 1.190 136 N HN 0.736 nan 8.380 nan 0.000 0.600 137 T N -3.579 110.940 114.554 -0.058 0.000 3.067 137 T HA 0.069 4.419 4.350 -0.000 0.000 0.261 137 T C 0.601 175.302 174.700 0.003 0.000 1.110 137 T CA 0.541 62.604 62.100 -0.061 0.000 1.113 137 T CB -0.250 68.513 68.868 -0.174 0.000 0.917 137 T HN 0.533 nan 8.240 nan 0.000 0.499 138 E N 1.209 121.412 120.200 0.005 0.000 2.489 138 E HA 0.234 4.584 4.350 -0.000 0.000 0.193 138 E C 1.610 178.227 176.600 0.029 0.000 1.057 138 E CA 0.516 56.924 56.400 0.013 0.000 0.866 138 E CB 0.051 29.753 29.700 0.005 0.000 0.916 138 E HN 0.723 nan 8.360 nan 0.000 0.500 139 G N 1.173 110.006 108.800 0.055 0.000 2.179 139 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 139 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 139 G C 0.457 175.456 174.900 0.166 0.000 0.990 139 G CA 0.007 45.164 45.100 0.094 0.000 0.646 139 G HN 0.501 nan 8.290 nan 0.000 0.517 140 A N -0.235 122.635 122.820 0.084 0.000 2.322 140 A HA 0.827 5.147 4.320 -0.000 0.000 0.269 140 A C 0.034 177.586 177.584 -0.053 0.000 1.094 140 A CA 0.266 52.327 52.037 0.039 0.000 0.807 140 A CB 0.881 19.876 19.000 -0.008 0.000 1.047 140 A HN 1.389 nan 8.150 nan 0.000 0.487 141 I N 0.157 120.648 120.570 -0.132 0.000 2.647 141 I HA 0.592 4.762 4.170 -0.000 0.000 0.295 141 I C -0.947 175.063 176.117 -0.179 0.000 1.078 141 I CA -0.674 60.441 61.300 -0.307 0.000 1.048 141 I CB 1.920 39.531 38.000 -0.648 0.000 1.239 141 I HN 0.713 nan 8.210 nan 0.000 0.421 142 K N 6.900 127.196 120.400 -0.173 0.000 2.464 142 K HA 0.554 4.874 4.320 -0.000 0.000 0.253 142 K C -1.417 175.128 176.600 -0.093 0.000 0.933 142 K CA -0.686 55.544 56.287 -0.095 0.000 0.801 142 K CB 2.324 34.790 32.500 -0.057 0.000 1.271 142 K HN 0.468 nan 8.250 nan 0.000 0.430 143 L N 2.228 123.432 121.223 -0.031 0.000 2.416 143 L HA 0.470 4.809 4.340 -0.000 0.000 0.272 143 L C 0.226 177.183 176.870 0.144 0.000 1.161 143 L CA -0.164 54.667 54.840 -0.016 0.000 0.845 143 L CB 0.521 42.587 42.059 0.012 0.000 1.119 143 L HN 0.756 nan 8.230 nan 0.000 0.464 144 A N 1.961 124.812 122.820 0.053 0.000 2.483 144 A HA 0.549 4.868 4.320 -0.000 0.000 0.286 144 A C -0.551 177.074 177.584 0.069 0.000 1.207 144 A CA -0.441 51.642 52.037 0.076 0.000 0.764 144 A CB 1.202 20.132 19.000 -0.117 0.000 1.341 144 A HN 0.746 nan 8.150 nan 0.000 0.428 145 D N -1.478 118.925 120.400 0.005 0.000 3.508 145 D HA -0.159 4.481 4.640 -0.000 0.000 0.232 145 D C -0.707 175.506 176.300 -0.145 0.000 1.131 145 D CA 0.703 54.677 54.000 -0.043 0.000 1.040 145 D CB -1.072 39.666 40.800 -0.104 0.000 0.879 145 D HN 0.425 nan 8.370 nan 0.000 0.407 146 F N 0.557 120.448 119.950 -0.098 0.000 2.645 146 F HA 0.326 4.853 4.527 -0.000 0.000 0.300 146 F C 2.280 178.041 175.800 -0.065 0.000 1.115 146 F CA 0.274 58.166 58.000 -0.181 0.000 1.355 146 F CB 0.398 39.374 39.000 -0.039 0.000 1.026 146 F HN 0.385 nan 8.300 nan 0.000 0.536 147 G N -0.052 108.832 108.800 0.140 0.000 2.469 147 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 147 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 147 G C 1.448 176.391 174.900 0.070 0.000 1.136 147 G CA 0.704 45.950 45.100 0.242 0.000 0.759 147 G HN 0.310 nan 8.290 nan 0.000 0.562 148 L N 0.839 122.042 121.223 -0.034 0.000 2.628 148 L HA 0.586 4.926 4.340 -0.000 0.000 0.229 148 L C 1.612 178.449 176.870 -0.054 0.000 1.137 148 L CA -0.313 54.500 54.840 -0.046 0.000 0.909 148 L CB -0.152 41.877 42.059 -0.051 0.000 1.137 148 L HN 0.234 nan 8.230 nan 0.000 0.470 149 A N 0.530 123.314 122.820 -0.060 0.000 2.366 149 A HA 0.601 4.921 4.320 -0.000 0.000 0.249 149 A C 0.350 177.969 177.584 0.059 0.000 1.084 149 A CA -0.205 51.846 52.037 0.022 0.000 0.794 149 A CB 0.284 19.389 19.000 0.174 0.000 1.034 149 A HN 0.461 nan 8.150 nan 0.000 0.491 150 R N -0.432 120.115 120.500 0.079 0.000 2.764 150 R HA 0.703 5.043 4.340 -0.000 0.000 0.270 150 R C -0.912 175.419 176.300 0.051 0.000 1.014 150 R CA -0.302 55.808 56.100 0.016 0.000 0.904 150 R CB 1.418 31.660 30.300 -0.097 0.000 1.236 150 R HN 1.006 nan 8.270 nan 0.000 0.466 151 A N 2.235 125.047 122.820 -0.014 0.000 2.276 151 A HA 0.537 4.857 4.320 -0.000 0.000 0.300 151 A C -0.447 177.101 177.584 -0.060 0.000 1.235 151 A CA -0.740 51.276 52.037 -0.034 0.000 0.867 151 A CB -0.194 18.768 19.000 -0.063 0.000 1.137 151 A HN 0.553 nan 8.150 nan 0.000 0.527 152 F N 1.758 121.667 119.950 -0.069 0.000 2.461 152 F HA 0.885 5.412 4.527 -0.000 0.000 0.332 152 F C 0.522 176.361 175.800 0.065 0.000 1.073 152 F CA -0.880 57.104 58.000 -0.026 0.000 1.017 152 F CB 0.710 39.750 39.000 0.067 0.000 1.301 152 F HN 0.613 nan 8.300 nan 0.000 0.492 153 G N -0.402 108.587 108.800 0.315 0.000 2.511 153 G HA2 0.581 4.541 3.960 -0.000 0.000 0.318 153 G HA3 0.581 4.541 3.960 -0.000 0.000 0.318 153 G C -2.029 172.984 174.900 0.189 0.000 1.210 153 G CA -1.056 44.121 45.100 0.127 0.000 0.969 153 G HN 0.663 nan 8.290 nan 0.000 0.484 154 V N 2.949 122.905 119.914 0.070 0.000 2.313 154 V HA 0.399 4.519 4.120 -0.000 0.000 0.278 154 V C -1.335 174.774 176.094 0.025 0.000 1.017 154 V CA -0.933 61.408 62.300 0.067 0.000 0.823 154 V CB 0.713 32.557 31.823 0.035 0.000 1.010 154 V HN 0.785 nan 8.190 nan 0.000 0.443 155 P HA 0.542 nan 4.420 nan 0.000 0.279 155 P C -0.109 177.195 177.300 0.007 0.000 1.276 155 P CA -0.385 62.711 63.100 -0.007 0.000 0.801 155 P CB 1.171 32.820 31.700 -0.086 0.000 1.127 156 V N -1.650 118.246 119.914 -0.030 0.000 3.611 156 V HA 0.430 4.550 4.120 -0.000 0.000 0.296 156 V C 0.476 176.441 176.094 -0.215 0.000 1.091 156 V CA -0.375 61.899 62.300 -0.042 0.000 1.103 156 V CB -0.166 31.595 31.823 -0.105 0.000 1.157 156 V HN 0.691 nan 8.190 nan 0.000 0.471 157 R N -1.019 119.223 120.500 -0.429 0.000 2.836 157 R HA 0.488 4.828 4.340 -0.000 0.000 0.269 157 R C -0.616 175.320 176.300 -0.607 0.000 1.010 157 R CA -0.597 55.318 56.100 -0.308 0.000 0.930 157 R CB 2.083 32.294 30.300 -0.148 0.000 1.218 157 R HN 0.924 nan 8.270 nan 0.000 0.473 158 T N 2.671 117.084 114.554 -0.235 0.000 2.871 158 T HA 0.073 4.423 4.350 -0.000 0.000 0.296 158 T C -0.742 173.788 174.700 -0.284 0.000 0.998 158 T CA 0.811 62.735 62.100 -0.294 0.000 1.162 158 T CB -0.161 68.609 68.868 -0.164 0.000 0.947 158 T HN 0.181 nan 8.240 nan 0.000 0.536 162 E N 2.689 122.915 120.200 0.042 0.000 1.896 162 E HA 0.345 4.695 4.350 -0.000 0.000 0.276 162 E C -0.766 175.803 176.600 -0.053 0.000 1.171 162 E CA 0.228 56.606 56.400 -0.038 0.000 1.118 162 E CB 0.635 30.360 29.700 0.043 0.000 1.077 162 E HN 0.133 nan 8.360 nan 0.000 0.452 163 V N 1.882 121.715 119.914 -0.135 0.000 2.888 163 V HA 0.384 4.504 4.120 -0.000 0.000 0.309 163 V C -0.943 175.080 176.094 -0.118 0.000 1.114 163 V CA -0.966 61.275 62.300 -0.097 0.000 0.940 163 V CB 2.176 33.957 31.823 -0.070 0.000 1.021 163 V HN 0.361 nan 8.190 nan 0.000 0.426 164 V N 2.708 122.589 119.914 -0.054 0.000 3.576 164 V HA -0.166 3.954 4.120 -0.000 0.000 0.511 164 V C 0.197 176.301 176.094 0.015 0.000 0.682 164 V CA 0.606 62.903 62.300 -0.006 0.000 2.064 164 V CB -1.215 30.608 31.823 0.000 0.000 2.487 164 V HN 1.047 nan 8.190 nan 0.000 0.511 165 T N 5.333 119.929 114.554 0.071 0.000 2.916 165 T HA 0.244 4.594 4.350 -0.000 0.000 0.303 165 T C 1.306 176.079 174.700 0.121 0.000 1.025 165 T CA 0.286 62.431 62.100 0.076 0.000 1.142 165 T CB 0.930 69.872 68.868 0.122 0.000 0.947 165 T HN 0.715 nan 8.240 nan 0.000 0.544 166 L N 2.484 123.727 121.223 0.033 0.000 2.010 166 L HA -0.179 4.161 4.340 -0.000 0.000 0.219 166 L C 1.933 178.927 176.870 0.206 0.000 1.077 166 L CA 2.084 56.966 54.840 0.071 0.000 0.773 166 L CB -0.290 41.788 42.059 0.031 0.000 0.892 166 L HN 0.793 nan 8.230 nan 0.000 0.436 167 W N -0.774 120.487 121.300 -0.066 0.000 2.421 167 W HA -0.163 4.497 4.660 -0.000 0.000 0.270 167 W C 1.842 178.117 176.519 -0.406 0.000 1.233 167 W CA 0.472 57.635 57.345 -0.302 0.000 1.226 167 W CB -0.879 28.231 29.460 -0.582 0.000 1.121 167 W HN 0.283 nan 8.180 nan 0.000 0.579 168 Y N -0.622 119.887 120.300 0.349 0.000 2.584 168 Y HA 0.230 4.780 4.550 -0.000 0.000 0.254 168 Y C 1.095 177.200 175.900 0.342 0.000 1.177 168 Y CA -0.527 57.766 58.100 0.322 0.000 1.216 168 Y CB -0.242 38.340 38.460 0.204 0.000 1.172 168 Y HN -0.299 nan 8.280 nan 0.000 0.529 169 R N 1.558 122.239 120.500 0.302 0.000 2.229 169 R HA 0.678 5.018 4.340 -0.000 0.000 0.328 169 R C -0.029 176.163 176.300 -0.181 0.000 1.009 169 R CA -0.468 55.680 56.100 0.079 0.000 0.864 169 R CB 0.646 30.945 30.300 -0.002 0.000 1.085 169 R HN 0.159 nan 8.270 nan 0.000 0.453 170 A N 5.983 128.555 122.820 -0.413 0.000 2.466 170 A HA 0.196 4.516 4.320 -0.000 0.000 0.238 170 A C -1.559 175.612 177.584 -0.689 0.000 1.074 170 A CA -1.219 50.192 52.037 -1.044 0.000 0.774 170 A CB 0.074 18.731 19.000 -0.572 0.000 1.015 170 A HN 0.813 nan 8.150 nan 0.000 0.498 171 P HA -0.195 nan 4.420 nan 0.000 0.218 171 P C 1.051 178.432 177.300 0.135 0.000 1.149 171 P CA 1.488 64.464 63.100 -0.208 0.000 0.817 171 P CB 0.012 31.699 31.700 -0.022 0.000 0.785 172 E N 0.677 120.969 120.200 0.152 0.000 2.209 172 E HA -0.155 4.194 4.350 -0.000 0.000 0.196 172 E C 2.045 178.760 176.600 0.191 0.000 0.993 172 E CA 1.028 57.631 56.400 0.338 0.000 0.819 172 E CB -1.152 28.755 29.700 0.345 0.000 0.745 172 E HN 0.318 nan 8.360 nan 0.000 0.477 173 I N 0.901 121.490 120.570 0.031 0.000 2.206 173 I HA -0.208 3.962 4.170 -0.000 0.000 0.239 173 I C 2.739 178.896 176.117 0.067 0.000 1.078 173 I CA 0.633 61.921 61.300 -0.019 0.000 1.367 173 I CB -0.316 37.538 38.000 -0.243 0.000 1.078 173 I HN -0.014 nan 8.210 nan 0.000 0.413 174 L N 0.392 121.621 121.223 0.009 0.000 2.051 174 L HA -0.247 4.093 4.340 -0.000 0.000 0.214 174 L C 2.306 179.272 176.870 0.160 0.000 1.076 174 L CA 1.534 56.408 54.840 0.057 0.000 0.758 174 L CB -0.499 41.550 42.059 -0.017 0.000 0.890 174 L HN 0.296 nan 8.230 nan 0.000 0.433 175 L N -0.870 120.474 121.223 0.202 0.000 2.558 175 L HA 0.160 4.500 4.340 -0.000 0.000 0.225 175 L C 1.225 178.200 176.870 0.176 0.000 1.128 175 L CA 0.488 55.468 54.840 0.233 0.000 0.868 175 L CB -0.132 42.089 42.059 0.270 0.000 1.006 175 L HN 0.449 nan 8.230 nan 0.000 0.454 176 G N -0.208 108.711 108.800 0.198 0.000 2.203 176 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.231 176 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.231 176 G C 0.169 175.132 174.900 0.105 0.000 1.058 176 G CA -0.067 45.122 45.100 0.150 0.000 0.781 176 G HN 0.288 nan 8.290 nan 0.000 0.496 177 C N 0.508 119.901 119.300 0.156 0.000 2.642 177 C HA 0.369 4.828 4.460 -0.000 0.000 0.420 177 C C 2.364 177.388 174.990 0.058 0.000 1.349 177 C CA 0.392 59.483 59.018 0.120 0.000 1.821 177 C CB 0.259 28.128 27.740 0.216 0.000 2.637 177 C HN 0.606 nan 8.230 nan 0.000 0.605 178 K N 2.403 122.739 120.400 -0.107 0.000 2.144 178 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 178 K C -0.413 175.941 176.600 -0.408 0.000 1.047 178 K CA 1.926 57.983 56.287 -0.384 0.000 0.927 178 K CB -0.084 31.963 32.500 -0.755 0.000 0.716 178 K HN 0.764 nan 8.250 nan 0.000 0.454 179 Y N -1.199 119.114 120.300 0.023 0.000 2.492 179 Y HA 0.296 4.846 4.550 -0.000 0.000 0.346 179 Y C -0.473 175.473 175.900 0.078 0.000 0.997 179 Y CA -1.569 56.487 58.100 -0.073 0.000 1.025 179 Y CB 1.659 40.071 38.460 -0.080 0.000 1.263 179 Y HN 0.007 nan 8.280 nan 0.000 0.454 180 Y N -1.304 119.092 120.300 0.161 0.000 2.597 180 Y HA 0.853 5.403 4.550 -0.000 0.000 0.340 180 Y C -0.656 175.272 175.900 0.048 0.000 1.097 180 Y CA -1.072 57.089 58.100 0.102 0.000 1.037 180 Y CB 1.691 40.211 38.460 0.099 0.000 1.305 180 Y HN 0.550 nan 8.280 nan 0.000 0.463 181 S N -0.565 115.237 115.700 0.170 0.000 3.923 181 S HA 0.272 4.742 4.470 -0.000 0.000 0.280 181 S C 1.053 175.561 174.600 -0.153 0.000 1.070 181 S CA 0.065 58.203 58.200 -0.103 0.000 1.300 181 S CB 0.373 63.429 63.200 -0.239 0.000 1.322 181 S HN 1.093 nan 8.310 nan 0.000 0.762 182 T N 0.830 115.121 114.554 -0.438 0.000 2.897 182 T HA 0.017 4.366 4.350 -0.000 0.000 0.271 182 T C 1.715 176.307 174.700 -0.181 0.000 1.084 182 T CA 1.511 63.263 62.100 -0.579 0.000 1.123 182 T CB -0.837 67.522 68.868 -0.848 0.000 0.865 182 T HN 0.651 nan 8.240 nan 0.000 0.496 183 A N 1.829 124.620 122.820 -0.049 0.000 2.019 183 A HA 0.055 4.375 4.320 -0.000 0.000 0.219 183 A C 2.691 180.349 177.584 0.125 0.000 1.164 183 A CA 1.681 53.755 52.037 0.063 0.000 0.644 183 A CB -1.094 17.942 19.000 0.060 0.000 0.805 183 A HN 0.856 nan 8.150 nan 0.000 0.449 184 V N -2.086 117.887 119.914 0.097 0.000 2.515 184 V HA -0.183 3.937 4.120 -0.000 0.000 0.250 184 V C 1.644 177.838 176.094 0.168 0.000 1.058 184 V CA 2.457 64.810 62.300 0.089 0.000 1.064 184 V CB -0.697 31.093 31.823 -0.055 0.000 0.675 184 V HN 0.394 nan 8.190 nan 0.000 0.461 185 D N 0.556 121.066 120.400 0.182 0.000 2.149 185 D HA -0.013 4.627 4.640 -0.000 0.000 0.201 185 D C 2.247 178.675 176.300 0.213 0.000 0.972 185 D CA 1.395 55.525 54.000 0.217 0.000 0.835 185 D CB -0.043 40.959 40.800 0.335 0.000 0.966 185 D HN 0.430 nan 8.370 nan 0.000 0.476 186 I N 0.511 121.224 120.570 0.239 0.000 2.226 186 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 186 I C 2.429 178.673 176.117 0.212 0.000 1.100 186 I CA 0.742 62.162 61.300 0.200 0.000 1.374 186 I CB -0.988 37.125 38.000 0.189 0.000 1.057 186 I HN 0.279 nan 8.210 nan 0.000 0.413 187 W N 2.327 123.676 121.300 0.082 0.000 2.321 187 W HA -0.250 4.410 4.660 -0.000 0.000 0.306 187 W C 2.539 179.133 176.519 0.124 0.000 1.217 187 W CA 1.980 59.377 57.345 0.087 0.000 1.257 187 W CB -0.312 29.184 29.460 0.059 0.000 1.145 187 W HN 0.114 nan 8.180 nan 0.000 0.509 188 S N 1.195 117.111 115.700 0.360 0.000 2.368 188 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 188 S C 1.989 176.674 174.600 0.142 0.000 1.030 188 S CA 1.403 59.779 58.200 0.294 0.000 0.999 188 S CB -0.773 62.564 63.200 0.228 0.000 0.844 188 S HN 0.245 nan 8.310 nan 0.000 0.459 189 L N 1.049 122.322 121.223 0.083 0.000 2.083 189 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 189 L C 2.715 179.627 176.870 0.070 0.000 1.083 189 L CA 1.282 56.152 54.840 0.050 0.000 0.752 189 L CB -1.294 40.786 42.059 0.034 0.000 0.899 189 L HN 0.451 nan 8.230 nan 0.000 0.433 190 G N -0.585 108.225 108.800 0.016 0.000 2.476 190 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 190 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 190 G C 1.643 176.456 174.900 -0.144 0.000 1.164 190 G CA 1.070 46.135 45.100 -0.059 0.000 0.768 190 G HN 0.421 nan 8.290 nan 0.000 0.560 191 C N 0.150 119.343 119.300 -0.177 0.000 2.413 191 C HA 0.018 4.478 4.460 -0.000 0.000 0.276 191 C C 2.859 177.851 174.990 0.004 0.000 1.248 191 C CA 0.625 59.554 59.018 -0.150 0.000 1.742 191 C CB -1.006 26.763 27.740 0.050 0.000 2.017 191 C HN 0.480 nan 8.230 nan 0.000 0.481 192 I N -0.134 120.509 120.570 0.121 0.000 2.252 192 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 192 I C 2.432 178.642 176.117 0.154 0.000 1.102 192 I CA 1.235 62.612 61.300 0.128 0.000 1.385 192 I CB -0.550 37.479 38.000 0.048 0.000 1.064 192 I HN 0.230 nan 8.210 nan 0.000 0.414 193 F N 2.293 122.220 119.950 -0.038 0.000 2.063 193 F HA -0.337 4.190 4.527 -0.000 0.000 0.298 193 F C 2.469 178.211 175.800 -0.097 0.000 1.109 193 F CA 1.600 59.574 58.000 -0.045 0.000 1.212 193 F CB -1.035 37.915 39.000 -0.083 0.000 0.973 193 F HN 0.074 nan 8.300 nan 0.000 0.480 194 A N -0.198 122.496 122.820 -0.210 0.000 1.908 194 A HA -0.259 4.060 4.320 -0.000 0.000 0.218 194 A C 2.286 179.729 177.584 -0.236 0.000 1.181 194 A CA 1.798 53.592 52.037 -0.406 0.000 0.627 194 A CB -1.103 17.585 19.000 -0.520 0.000 0.818 194 A HN 0.581 nan 8.150 nan 0.000 0.445 195 E N -0.773 119.352 120.200 -0.124 0.000 2.110 195 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 195 E C 2.021 178.620 176.600 -0.001 0.000 0.988 195 E CA 1.226 57.589 56.400 -0.061 0.000 0.804 195 E CB -0.187 29.535 29.700 0.036 0.000 0.745 195 E HN 0.644 nan 8.360 nan 0.000 0.458 196 M N -0.131 119.511 119.600 0.070 0.000 2.279 196 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 196 M C 2.003 178.355 176.300 0.087 0.000 1.062 196 M CA 0.841 56.220 55.300 0.132 0.000 1.099 196 M CB 0.255 32.998 32.600 0.239 0.000 1.394 196 M HN 0.112 nan 8.290 nan 0.000 0.426 197 V N -0.745 119.179 119.914 0.016 0.000 2.599 197 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 197 V C 2.235 178.283 176.094 -0.075 0.000 1.046 197 V CA 2.001 64.281 62.300 -0.033 0.000 1.065 197 V CB -0.496 31.241 31.823 -0.145 0.000 0.703 197 V HN 0.574 nan 8.190 nan 0.000 0.464 198 T N -2.249 112.238 114.554 -0.111 0.000 3.023 198 T HA 0.161 4.511 4.350 -0.000 0.000 0.253 198 T C 1.382 176.026 174.700 -0.093 0.000 1.038 198 T CA 0.558 62.585 62.100 -0.122 0.000 0.962 198 T CB 0.265 69.025 68.868 -0.179 0.000 1.018 198 T HN 0.501 nan 8.240 nan 0.000 0.521 199 R N 1.062 121.523 120.500 -0.066 0.000 3.621 199 R HA -0.215 4.124 4.340 -0.000 0.000 0.410 199 R C -0.048 176.220 176.300 -0.053 0.000 0.541 199 R CA 1.500 57.570 56.100 -0.049 0.000 1.518 199 R CB -1.922 28.346 30.300 -0.053 0.000 2.022 199 R HN 0.613 nan 8.270 nan 0.000 0.356 200 R N 1.685 122.128 120.500 -0.095 0.000 2.664 200 R HA 0.784 5.124 4.340 -0.000 0.000 0.286 200 R C -0.236 175.960 176.300 -0.173 0.000 0.967 200 R CA -0.210 55.817 56.100 -0.121 0.000 0.933 200 R CB 1.642 31.854 30.300 -0.147 0.000 1.146 200 R HN 0.266 nan 8.270 nan 0.000 0.468 201 A N 2.373 125.078 122.820 -0.191 0.000 2.587 201 A HA -0.047 4.273 4.320 -0.000 0.000 0.233 201 A C 0.966 178.279 177.584 -0.452 0.000 1.049 201 A CA -0.313 51.547 52.037 -0.295 0.000 0.754 201 A CB 0.139 18.835 19.000 -0.506 0.000 0.977 201 A HN 0.791 nan 8.150 nan 0.000 0.509 202 L N 1.536 122.432 121.223 -0.545 0.000 2.049 202 L HA 0.235 4.575 4.340 -0.000 0.000 0.203 202 L C 0.168 176.532 176.870 -0.844 0.000 1.074 202 L CA 1.750 56.106 54.840 -0.806 0.000 0.749 202 L CB -0.258 41.127 42.059 -1.123 0.000 0.907 202 L HN 0.596 nan 8.230 nan 0.000 0.439 203 F N 1.239 120.938 119.950 -0.419 0.000 2.564 203 F HA 0.428 4.955 4.527 -0.000 0.000 0.361 203 F C -2.211 173.205 175.800 -0.641 0.000 1.161 203 F CA -2.892 54.872 58.000 -0.394 0.000 1.198 203 F CB 0.316 39.195 39.000 -0.201 0.000 1.424 203 F HN 0.021 nan 8.300 nan 0.000 0.517 204 P HA 0.246 nan 4.420 nan 0.000 0.213 204 P C 0.532 177.502 177.300 -0.549 0.000 1.861 204 P CA 0.094 62.252 63.100 -1.570 0.000 1.076 204 P CB 0.807 31.539 31.700 -1.614 0.000 1.867 205 G N 1.812 110.529 108.800 -0.137 0.000 2.599 205 G HA2 0.307 4.267 3.960 -0.000 0.000 0.264 205 G HA3 0.307 4.267 3.960 -0.000 0.000 0.264 205 G C 0.061 175.118 174.900 0.261 0.000 1.200 205 G CA -0.498 44.639 45.100 0.062 0.000 0.896 205 G HN 0.303 nan 8.290 nan 0.000 0.536 206 D N -2.540 117.938 120.400 0.130 0.000 2.503 206 D HA 0.230 4.870 4.640 -0.000 0.000 0.218 206 D C 0.630 176.955 176.300 0.042 0.000 1.183 206 D CA 0.241 54.312 54.000 0.119 0.000 0.827 206 D CB 0.485 41.345 40.800 0.099 0.000 1.034 206 D HN 0.521 nan 8.370 nan 0.000 0.510 207 S N -1.393 114.312 115.700 0.008 0.000 2.643 207 S HA 0.320 4.789 4.470 -0.000 0.000 0.270 207 S C 0.309 174.871 174.600 -0.063 0.000 1.166 207 S CA -0.793 57.390 58.200 -0.030 0.000 0.815 207 S CB 1.476 64.646 63.200 -0.050 0.000 1.139 207 S HN -0.150 nan 8.310 nan 0.000 0.472 208 E N -0.100 120.058 120.200 -0.070 0.000 2.077 208 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 208 E C 1.586 178.072 176.600 -0.190 0.000 0.989 208 E CA 1.423 57.770 56.400 -0.088 0.000 0.800 208 E CB -0.228 29.450 29.700 -0.037 0.000 0.746 208 E HN 0.586 nan 8.360 nan 0.000 0.452 209 I N 1.066 121.483 120.570 -0.255 0.000 2.500 209 I HA -0.178 3.992 4.170 -0.000 0.000 0.252 209 I C 1.752 177.424 176.117 -0.743 0.000 1.142 209 I CA 1.225 62.220 61.300 -0.509 0.000 1.451 209 I CB 0.108 37.837 38.000 -0.450 0.000 1.093 209 I HN -0.049 nan 8.210 nan 0.000 0.430 210 D N -0.396 119.750 120.400 -0.424 0.000 2.117 210 D HA -0.259 4.381 4.640 -0.000 0.000 0.198 210 D C 2.141 178.313 176.300 -0.213 0.000 0.982 210 D CA 1.086 54.922 54.000 -0.273 0.000 0.828 210 D CB 0.015 40.742 40.800 -0.121 0.000 0.967 210 D HN 0.299 nan 8.370 nan 0.000 0.464 211 Q N -0.022 119.663 119.800 -0.192 0.000 2.050 211 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 211 Q C 2.163 177.974 176.000 -0.315 0.000 0.980 211 Q CA 1.289 56.991 55.803 -0.168 0.000 0.840 211 Q CB -0.419 28.268 28.738 -0.086 0.000 0.898 211 Q HN 0.388 nan 8.270 nan 0.000 0.424 212 L N -0.734 120.222 121.223 -0.444 0.000 1.989 212 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 212 L C 2.149 178.403 176.870 -1.028 0.000 1.071 212 L CA 1.149 55.505 54.840 -0.807 0.000 0.749 212 L CB -0.524 41.017 42.059 -0.862 0.000 0.890 212 L HN 0.267 nan 8.230 nan 0.000 0.431 213 F N 0.206 119.699 119.950 -0.762 0.000 2.161 213 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 213 F C 2.721 178.211 175.800 -0.517 0.000 1.089 213 F CA 1.235 58.950 58.000 -0.476 0.000 1.282 213 F CB -0.925 37.962 39.000 -0.188 0.000 1.010 213 F HN -0.012 nan 8.300 nan 0.000 0.485 214 R N 0.019 120.386 120.500 -0.222 0.000 2.075 214 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 214 R C 2.304 178.457 176.300 -0.245 0.000 1.126 214 R CA 1.254 57.233 56.100 -0.203 0.000 0.963 214 R CB -0.461 29.770 30.300 -0.114 0.000 0.858 214 R HN 0.231 nan 8.270 nan 0.000 0.435 215 I N -0.182 120.099 120.570 -0.483 0.000 2.179 215 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 215 I C 1.634 177.730 176.117 -0.035 0.000 1.088 215 I CA 1.069 61.955 61.300 -0.690 0.000 1.357 215 I CB -0.273 37.370 38.000 -0.596 0.000 1.051 215 I HN 0.063 nan 8.210 nan 0.000 0.409 216 F N 1.040 120.986 119.950 -0.007 0.000 2.069 216 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 216 F C 2.678 178.497 175.800 0.031 0.000 1.113 216 F CA 1.299 59.389 58.000 0.150 0.000 1.214 216 F CB -1.309 37.837 39.000 0.243 0.000 0.978 216 F HN -0.014 nan 8.300 nan 0.000 0.474 217 R N -0.650 119.767 120.500 -0.137 0.000 2.200 217 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 217 R C 1.922 178.167 176.300 -0.091 0.000 1.127 217 R CA 1.736 57.571 56.100 -0.442 0.000 0.989 217 R CB -0.273 29.552 30.300 -0.791 0.000 0.869 217 R HN 0.268 nan 8.270 nan 0.000 0.459 218 T N -0.142 114.439 114.554 0.046 0.000 3.004 218 T HA 0.126 4.476 4.350 -0.000 0.000 0.243 218 T C 1.434 176.260 174.700 0.209 0.000 1.020 218 T CA 0.415 62.596 62.100 0.135 0.000 1.145 218 T CB 0.254 69.288 68.868 0.278 0.000 0.876 218 T HN 0.099 nan 8.240 nan 0.000 0.449 219 L N 0.739 122.121 121.223 0.264 0.000 2.592 219 L HA 0.363 4.703 4.340 -0.000 0.000 0.227 219 L C 1.073 178.176 176.870 0.388 0.000 1.127 219 L CA -0.229 54.797 54.840 0.310 0.000 0.884 219 L CB -0.419 41.764 42.059 0.207 0.000 1.065 219 L HN 0.435 nan 8.230 nan 0.000 0.457 220 G N 0.422 109.431 108.800 0.348 0.000 2.777 220 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.686 220 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.686 220 G C -0.189 174.859 174.900 0.247 0.000 1.177 220 G CA -0.786 44.489 45.100 0.291 0.000 0.775 220 G HN -0.020 nan 8.290 nan 0.000 0.613 221 T N 5.058 119.662 114.554 0.083 0.000 2.867 221 T HA 0.430 4.780 4.350 -0.000 0.000 0.297 221 T C -1.285 173.215 174.700 -0.335 0.000 0.989 221 T CA 0.318 62.223 62.100 -0.325 0.000 1.159 221 T CB 0.934 69.637 68.868 -0.275 0.000 0.928 221 T HN 0.636 nan 8.240 nan 0.000 0.538 222 P HA 0.332 nan 4.420 nan 0.000 0.272 222 P C -0.863 176.291 177.300 -0.243 0.000 1.223 222 P CA -0.360 62.431 63.100 -0.515 0.000 0.784 222 P CB 0.734 31.993 31.700 -0.736 0.000 0.923 223 D N -0.840 119.474 120.400 -0.144 0.000 2.752 223 D HA 0.175 4.815 4.640 -0.000 0.000 0.313 223 D C 0.767 177.011 176.300 -0.093 0.000 1.225 223 D CA -0.608 53.311 54.000 -0.134 0.000 0.976 223 D CB 0.079 40.832 40.800 -0.078 0.000 1.443 223 D HN 0.045 nan 8.370 nan 0.000 0.515 224 E N -0.243 119.894 120.200 -0.105 0.000 2.118 224 E HA -0.100 4.250 4.350 -0.000 0.000 0.195 224 E C 2.118 178.723 176.600 0.009 0.000 0.992 224 E CA 0.936 57.295 56.400 -0.067 0.000 0.804 224 E CB -0.385 29.270 29.700 -0.075 0.000 0.741 224 E HN 0.398 nan 8.360 nan 0.000 0.458 225 V N 0.762 120.685 119.914 0.014 0.000 2.255 225 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 225 V C 2.487 178.633 176.094 0.088 0.000 1.051 225 V CA 1.616 63.941 62.300 0.042 0.000 1.018 225 V CB -0.606 31.235 31.823 0.029 0.000 0.641 225 V HN 0.094 nan 8.190 nan 0.000 0.445 226 V N -2.234 117.746 119.914 0.109 0.000 2.788 226 V HA -0.016 4.103 4.120 -0.000 0.000 0.251 226 V C 0.513 176.788 176.094 0.301 0.000 1.068 226 V CA 0.971 63.379 62.300 0.180 0.000 1.090 226 V CB 0.391 32.315 31.823 0.168 0.000 0.710 226 V HN 0.767 nan 8.190 nan 0.000 0.467 227 W N 1.990 123.303 121.300 0.022 0.000 2.258 227 W HA 0.436 5.096 4.660 -0.000 0.000 0.287 227 W C -3.117 173.392 176.519 -0.016 0.000 1.024 227 W CA -3.399 53.968 57.345 0.035 0.000 1.377 227 W CB 0.489 29.969 29.460 0.032 0.000 1.351 227 W HN 0.067 nan 8.180 nan 0.000 0.334 228 P HA 0.197 nan 4.420 nan 0.000 0.258 228 P C 0.926 178.187 177.300 -0.066 0.000 1.172 228 P CA 2.616 65.754 63.100 0.065 0.000 0.762 228 P CB 0.540 32.300 31.700 0.100 0.000 0.764 229 G N 1.776 110.454 108.800 -0.202 0.000 2.259 229 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.217 229 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.217 229 G C 0.954 175.529 174.900 -0.541 0.000 1.001 229 G CA 0.165 45.083 45.100 -0.303 0.000 0.627 229 G HN 0.405 nan 8.290 nan 0.000 0.501 230 V N 0.121 119.549 119.914 -0.810 0.000 2.231 230 V HA -0.188 3.932 4.120 -0.000 0.000 0.250 230 V C 3.036 178.546 176.094 -0.973 0.000 1.058 230 V CA 3.565 65.260 62.300 -1.009 0.000 1.022 230 V CB -2.104 29.165 31.823 -0.925 0.000 0.640 230 V HN 1.279 nan 8.190 nan 0.000 0.445 231 T N -0.332 113.620 114.554 -1.003 0.000 3.025 231 T HA -0.085 4.265 4.350 -0.000 0.000 0.270 231 T C 1.479 175.930 174.700 -0.415 0.000 1.126 231 T CA 1.427 62.865 62.100 -1.104 0.000 1.105 231 T CB -0.641 67.890 68.868 -0.561 0.000 0.884 231 T HN 0.913 nan 8.240 nan 0.000 0.522 232 S N -0.295 115.205 115.700 -0.333 0.000 2.568 232 S HA 0.437 4.907 4.470 -0.000 0.000 0.232 232 S C 0.460 174.978 174.600 -0.136 0.000 0.975 232 S CA -0.865 57.233 58.200 -0.169 0.000 0.949 232 S CB -0.446 62.670 63.200 -0.140 0.000 0.829 232 S HN 0.424 nan 8.310 nan 0.000 0.479 233 M N 1.949 121.451 119.600 -0.163 0.000 2.250 233 M HA 0.293 4.773 4.480 -0.000 0.000 0.344 233 M C -1.660 174.642 176.300 0.003 0.000 1.150 233 M CA -2.029 53.216 55.300 -0.090 0.000 1.147 233 M CB 0.650 33.167 32.600 -0.138 0.000 1.498 233 M HN -0.045 nan 8.290 nan 0.000 0.461 234 P HA -0.165 nan 4.420 nan 0.000 0.216 234 P C 0.163 177.473 177.300 0.016 0.000 1.153 234 P CA 1.490 64.586 63.100 -0.007 0.000 0.858 234 P CB 0.156 31.840 31.700 -0.027 0.000 0.789 235 D N -3.181 117.256 120.400 0.062 0.000 2.368 235 D HA 0.033 4.673 4.640 -0.000 0.000 0.218 235 D C 0.151 176.529 176.300 0.130 0.000 1.112 235 D CA -0.254 53.796 54.000 0.083 0.000 0.834 235 D CB -0.398 40.472 40.800 0.116 0.000 0.953 235 D HN 0.224 nan 8.370 nan 0.000 0.505 236 Y N 2.006 122.300 120.300 -0.010 0.000 2.359 236 Y HA 0.184 4.734 4.550 -0.000 0.000 0.330 236 Y C -0.018 175.643 175.900 -0.399 0.000 1.143 236 Y CA 0.070 58.108 58.100 -0.103 0.000 1.318 236 Y CB 0.531 38.943 38.460 -0.080 0.000 1.234 236 Y HN -0.366 nan 8.280 nan 0.000 0.522 237 K N 7.391 126.705 120.400 -1.809 0.000 2.378 237 K HA 0.291 4.611 4.320 -0.000 0.000 0.252 237 K C -2.237 173.542 176.600 -1.369 0.000 0.931 237 K CA -1.912 53.580 56.287 -1.325 0.000 0.794 237 K CB 2.070 33.914 32.500 -1.093 0.000 1.181 237 K HN 0.341 nan 8.250 nan 0.000 0.425 238 P HA -0.152 nan 4.420 nan 0.000 0.223 238 P C 0.717 177.874 177.300 -0.238 0.000 1.151 238 P CA 0.968 63.903 63.100 -0.274 0.000 0.787 238 P CB 0.246 31.875 31.700 -0.118 0.000 0.788 239 S N -2.457 113.080 115.700 -0.271 0.000 2.593 239 S HA 0.043 4.513 4.470 -0.000 0.000 0.217 239 S C 0.628 175.235 174.600 0.011 0.000 0.966 239 S CA -0.359 57.771 58.200 -0.117 0.000 0.914 239 S CB -1.080 62.073 63.200 -0.078 0.000 0.776 239 S HN -0.173 nan 8.310 nan 0.000 0.523 240 F N 3.901 123.778 119.950 -0.122 0.000 2.604 240 F HA 0.257 4.784 4.527 -0.000 0.000 0.393 240 F C -1.993 173.657 175.800 -0.251 0.000 1.043 240 F CA -2.433 55.528 58.000 -0.064 0.000 1.227 240 F CB -0.884 38.087 39.000 -0.047 0.000 1.016 240 F HN 0.096 nan 8.300 nan 0.000 0.556 241 P HA 0.001 nan 4.420 nan 0.000 0.266 241 P C -0.801 176.144 177.300 -0.592 0.000 1.193 241 P CA 0.051 62.716 63.100 -0.724 0.000 0.770 241 P CB 0.369 31.073 31.700 -1.659 0.000 0.836 242 K N 2.647 122.752 120.400 -0.492 0.000 2.231 242 K HA 0.190 4.510 4.320 -0.000 0.000 0.255 242 K C -0.421 176.041 176.600 -0.229 0.000 1.108 242 K CA -0.285 55.840 56.287 -0.269 0.000 0.997 242 K CB 0.371 32.775 32.500 -0.159 0.000 1.549 242 K HN 0.470 nan 8.250 nan 0.000 0.419 243 W N 1.434 122.705 121.300 -0.048 0.000 2.261 243 W HA 0.322 4.982 4.660 -0.000 0.000 0.323 243 W C 0.563 177.089 176.519 0.011 0.000 1.243 243 W CA -1.063 56.277 57.345 -0.009 0.000 1.210 243 W CB 0.891 30.365 29.460 0.023 0.000 1.149 243 W HN 0.415 nan 8.180 nan 0.000 0.562 244 A N 3.509 126.481 122.820 0.253 0.000 2.340 244 A HA 0.334 4.654 4.320 -0.000 0.000 0.268 244 A C 0.388 178.077 177.584 0.175 0.000 1.100 244 A CA -0.584 51.550 52.037 0.162 0.000 0.803 244 A CB 0.270 19.338 19.000 0.112 0.000 1.043 244 A HN 0.685 nan 8.150 nan 0.000 0.488 245 R N 1.313 121.900 120.500 0.145 0.000 2.502 245 R HA 0.039 4.379 4.340 -0.000 0.000 0.292 245 R C 0.044 176.419 176.300 0.125 0.000 0.998 245 R CA 0.341 56.530 56.100 0.149 0.000 1.056 245 R CB 0.093 30.465 30.300 0.121 0.000 0.939 245 R HN 0.846 nan 8.270 nan 0.000 0.411 246 Q N 2.084 121.966 119.800 0.136 0.000 2.340 246 Q HA -0.006 4.334 4.340 -0.000 0.000 0.249 246 Q C -0.603 175.486 176.000 0.149 0.000 0.957 246 Q CA -0.003 55.867 55.803 0.113 0.000 0.882 246 Q CB 0.927 29.716 28.738 0.085 0.000 1.235 246 Q HN 0.533 nan 8.270 nan 0.000 0.439 247 D N 1.897 122.365 120.400 0.114 0.000 2.390 247 D HA -0.030 4.610 4.640 -0.000 0.000 0.249 247 D C 0.250 176.678 176.300 0.213 0.000 1.144 247 D CA 0.349 54.427 54.000 0.129 0.000 0.880 247 D CB 0.572 41.413 40.800 0.069 0.000 1.182 247 D HN 0.633 nan 8.370 nan 0.000 0.451 248 F N 1.158 121.073 119.950 -0.058 0.000 2.333 248 F HA -0.221 4.305 4.527 -0.000 0.000 0.300 248 F C 2.556 178.298 175.800 -0.097 0.000 1.083 248 F CA 0.550 58.494 58.000 -0.092 0.000 1.395 248 F CB 0.280 39.215 39.000 -0.109 0.000 1.056 248 F HN 0.368 nan 8.300 nan 0.000 0.529 249 S N -0.898 114.858 115.700 0.093 0.000 2.603 249 S HA -0.037 4.433 4.470 -0.000 0.000 0.229 249 S C 1.419 176.003 174.600 -0.027 0.000 0.972 249 S CA 0.345 58.553 58.200 0.014 0.000 0.935 249 S CB -0.097 63.115 63.200 0.021 0.000 0.769 249 S HN 0.314 nan 8.310 nan 0.000 0.536 250 K N 0.470 120.851 120.400 -0.031 0.000 2.399 250 K HA 0.312 4.632 4.320 -0.000 0.000 0.196 250 K C 1.790 178.321 176.600 -0.116 0.000 1.117 250 K CA 0.439 56.691 56.287 -0.058 0.000 0.965 250 K CB -0.190 32.294 32.500 -0.028 0.000 0.983 250 K HN 0.290 nan 8.250 nan 0.000 0.531 251 V N 1.041 120.858 119.914 -0.161 0.000 2.307 251 V HA -0.072 4.048 4.120 -0.000 0.000 0.245 251 V C 1.464 177.353 176.094 -0.342 0.000 1.045 251 V CA 1.262 63.390 62.300 -0.287 0.000 1.024 251 V CB 0.088 31.631 31.823 -0.466 0.000 0.651 251 V HN -0.006 nan 8.190 nan 0.000 0.449 252 V N 1.494 121.196 119.914 -0.354 0.000 2.468 252 V HA 0.318 4.438 4.120 -0.000 0.000 0.256 252 V C -1.718 174.246 176.094 -0.218 0.000 0.998 252 V CA -1.094 60.997 62.300 -0.349 0.000 1.114 252 V CB 1.062 32.565 31.823 -0.534 0.000 1.378 252 V HN 0.352 nan 8.190 nan 0.000 0.573 253 P HA -0.066 nan 4.420 nan 0.000 0.216 253 P C -1.313 175.943 177.300 -0.074 0.000 1.153 253 P CA 1.550 64.593 63.100 -0.095 0.000 0.858 253 P CB -0.736 30.917 31.700 -0.079 0.000 0.789 254 P HA -0.061 nan 4.420 nan 0.000 0.223 254 P C 0.271 177.557 177.300 -0.023 0.000 1.144 254 P CA 0.652 63.727 63.100 -0.042 0.000 0.783 254 P CB -0.197 31.480 31.700 -0.039 0.000 0.771 255 L N 1.168 122.356 121.223 -0.058 0.000 2.397 255 L HA 0.123 4.463 4.340 -0.000 0.000 0.271 255 L C 0.802 177.680 176.870 0.014 0.000 1.148 255 L CA -0.371 54.451 54.840 -0.030 0.000 0.825 255 L CB -0.049 41.920 42.059 -0.151 0.000 1.117 255 L HN 0.000 nan 8.230 nan 0.000 0.456 256 D N 1.614 122.059 120.400 0.076 0.000 2.440 256 D HA 0.021 4.661 4.640 -0.000 0.000 0.269 256 D C 0.914 177.257 176.300 0.072 0.000 1.249 256 D CA -0.095 53.952 54.000 0.079 0.000 1.055 256 D CB 0.100 40.967 40.800 0.111 0.000 1.104 256 D HN 0.652 nan 8.370 nan 0.000 0.561 257 E N -0.246 119.999 120.200 0.075 0.000 2.085 257 E HA -0.298 4.052 4.350 -0.000 0.000 0.194 257 E C 0.767 177.428 176.600 0.102 0.000 0.994 257 E CA 1.395 57.838 56.400 0.072 0.000 0.801 257 E CB -0.234 29.502 29.700 0.060 0.000 0.743 257 E HN 0.390 nan 8.360 nan 0.000 0.453 258 D N 0.536 121.032 120.400 0.159 0.000 2.117 258 D HA -0.084 4.556 4.640 -0.000 0.000 0.197 258 D C 1.986 178.344 176.300 0.095 0.000 0.987 258 D CA 1.605 55.759 54.000 0.258 0.000 0.829 258 D CB -0.644 40.380 40.800 0.373 0.000 0.961 258 D HN 0.423 nan 8.370 nan 0.000 0.460 259 G N 0.456 109.226 108.800 -0.049 0.000 2.408 259 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 259 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 259 G C 1.719 176.481 174.900 -0.229 0.000 1.150 259 G CA 0.227 45.061 45.100 -0.443 0.000 0.776 259 G HN 0.222 nan 8.290 nan 0.000 0.542 260 R N 0.427 120.886 120.500 -0.068 0.000 2.075 260 R HA 0.008 4.348 4.340 -0.000 0.000 0.232 260 R C 2.884 179.221 176.300 0.063 0.000 1.126 260 R CA 1.195 57.340 56.100 0.076 0.000 0.963 260 R CB -0.500 29.889 30.300 0.148 0.000 0.858 260 R HN 0.390 nan 8.270 nan 0.000 0.435 261 S N 1.242 116.962 115.700 0.034 0.000 2.359 261 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 261 S C 1.928 176.539 174.600 0.019 0.000 1.039 261 S CA 1.322 59.564 58.200 0.071 0.000 1.042 261 S CB -0.214 63.117 63.200 0.218 0.000 0.915 261 S HN 0.226 nan 8.310 nan 0.000 0.439 262 L N 1.262 122.368 121.223 -0.196 0.000 2.017 262 L HA 0.093 4.433 4.340 -0.000 0.000 0.208 262 L C 2.297 179.143 176.870 -0.040 0.000 1.073 262 L CA 1.928 56.558 54.840 -0.349 0.000 0.745 262 L CB -1.156 40.490 42.059 -0.688 0.000 0.894 262 L HN 0.503 nan 8.230 nan 0.000 0.432 263 L N -0.578 120.660 121.223 0.024 0.000 2.079 263 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 263 L C 2.677 179.636 176.870 0.148 0.000 1.081 263 L CA 2.111 56.978 54.840 0.045 0.000 0.752 263 L CB -0.740 41.174 42.059 -0.243 0.000 0.896 263 L HN 0.579 nan 8.230 nan 0.000 0.433 264 S N -1.829 113.976 115.700 0.176 0.000 2.423 264 S HA -0.194 4.276 4.470 -0.000 0.000 0.231 264 S C 1.832 176.436 174.600 0.007 0.000 1.014 264 S CA 0.988 59.170 58.200 -0.030 0.000 0.965 264 S CB -0.511 62.427 63.200 -0.436 0.000 0.785 264 S HN 0.679 nan 8.310 nan 0.000 0.495 265 Q N 0.143 120.025 119.800 0.137 0.000 2.245 265 Q HA 0.233 4.573 4.340 -0.000 0.000 0.201 265 Q C 2.051 178.194 176.000 0.239 0.000 0.955 265 Q CA 0.974 56.962 55.803 0.308 0.000 0.870 265 Q CB -0.256 28.604 28.738 0.204 0.000 0.945 265 Q HN 0.614 nan 8.270 nan 0.000 0.461 266 M N -0.188 119.489 119.600 0.130 0.000 2.388 266 M HA -0.017 4.463 4.480 -0.000 0.000 0.265 266 M C 0.879 177.205 176.300 0.043 0.000 1.088 266 M CA 0.992 56.347 55.300 0.093 0.000 1.134 266 M CB 0.441 33.078 32.600 0.062 0.000 1.384 266 M HN 0.098 nan 8.290 nan 0.000 0.447 267 L N -0.870 120.337 121.223 -0.027 0.000 2.984 267 L HA 0.215 4.555 4.340 -0.000 0.000 0.246 267 L C -0.333 176.539 176.870 0.003 0.000 1.268 267 L CA -0.484 54.237 54.840 -0.198 0.000 1.054 267 L CB -0.640 41.198 42.059 -0.368 0.000 1.393 267 L HN 0.116 nan 8.230 nan 0.000 0.532 268 H N -1.534 117.563 119.070 0.045 0.000 2.732 268 H HA 0.035 4.591 4.556 -0.000 0.000 0.351 268 H C 0.595 175.925 175.328 0.004 0.000 1.090 268 H CA 0.655 56.718 56.048 0.026 0.000 1.431 268 H CB 0.821 30.592 29.762 0.015 0.000 1.447 268 H HN 0.056 nan 8.280 nan 0.000 0.582 269 Y N 0.336 120.662 120.300 0.044 0.000 2.145 269 Y HA -0.193 4.356 4.550 -0.000 0.000 0.286 269 Y C 1.377 176.610 175.900 -1.112 0.000 1.145 269 Y CA 1.244 59.138 58.100 -0.343 0.000 1.148 269 Y CB 0.244 38.634 38.460 -0.117 0.000 0.981 269 Y HN 0.628 nan 8.280 nan 0.000 0.507 270 D N 0.510 120.502 120.400 -0.680 0.000 2.363 270 D HA 0.005 4.645 4.640 -0.000 0.000 0.263 270 D C -1.973 174.125 176.300 -0.336 0.000 1.258 270 D CA -1.664 51.850 54.000 -0.811 0.000 0.907 270 D CB 1.235 41.925 40.800 -0.185 0.000 1.107 270 D HN 0.061 nan 8.370 nan 0.000 0.495 271 P HA -0.107 nan 4.420 nan 0.000 0.218 271 P C 0.521 177.815 177.300 -0.011 0.000 1.148 271 P CA 1.150 64.215 63.100 -0.057 0.000 0.822 271 P CB 0.221 31.944 31.700 0.039 0.000 0.784 272 N N -0.822 117.883 118.700 0.007 0.000 2.396 272 N HA -0.082 4.658 4.740 -0.000 0.000 0.180 272 N C 1.362 176.850 175.510 -0.037 0.000 1.028 272 N CA 0.665 53.720 53.050 0.009 0.000 0.893 272 N CB -0.189 38.323 38.487 0.041 0.000 0.967 272 N HN 0.110 nan 8.380 nan 0.000 0.440 273 K N 0.554 120.900 120.400 -0.091 0.000 2.379 273 K HA 0.078 4.398 4.320 -0.000 0.000 0.194 273 K C 0.330 176.769 176.600 -0.268 0.000 1.031 273 K CA -0.010 56.136 56.287 -0.236 0.000 1.037 273 K CB 0.341 32.602 32.500 -0.399 0.000 0.824 273 K HN 0.155 nan 8.250 nan 0.000 0.516 274 R N 1.894 122.340 120.500 -0.089 0.000 2.421 274 R HA 0.126 4.466 4.340 -0.000 0.000 0.305 274 R C 0.292 176.610 176.300 0.031 0.000 1.039 274 R CA -0.114 55.998 56.100 0.020 0.000 1.003 274 R CB 0.153 30.510 30.300 0.095 0.000 0.959 274 R HN 0.072 nan 8.270 nan 0.000 0.427 275 I N 2.856 123.462 120.570 0.060 0.000 3.003 275 I HA -0.146 4.024 4.170 -0.000 0.000 0.294 275 I C 0.461 176.639 176.117 0.103 0.000 1.237 275 I CA 0.771 62.121 61.300 0.083 0.000 1.417 275 I CB 0.677 38.748 38.000 0.118 0.000 1.340 275 I HN 0.761 nan 8.210 nan 0.000 0.594 276 S N 5.381 121.145 115.700 0.108 0.000 2.672 276 S HA 0.523 4.993 4.470 -0.000 0.000 0.276 276 S C 0.889 175.572 174.600 0.138 0.000 1.207 276 S CA -0.226 58.051 58.200 0.129 0.000 1.002 276 S CB 1.681 64.951 63.200 0.117 0.000 0.998 276 S HN 0.806 nan 8.310 nan 0.000 0.542 277 A N 1.817 124.731 122.820 0.156 0.000 1.877 277 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 277 A C 2.229 179.849 177.584 0.059 0.000 1.186 277 A CA 1.347 53.435 52.037 0.085 0.000 0.620 277 A CB -0.879 18.134 19.000 0.021 0.000 0.822 277 A HN 0.854 nan 8.150 nan 0.000 0.443 278 K N -0.547 119.900 120.400 0.078 0.000 2.057 278 K HA -0.112 4.207 4.320 -0.000 0.000 0.207 278 K C 2.316 178.974 176.600 0.096 0.000 1.049 278 K CA 1.260 57.589 56.287 0.069 0.000 0.931 278 K CB -0.366 32.183 32.500 0.082 0.000 0.714 278 K HN 0.449 nan 8.250 nan 0.000 0.440 279 A N 1.180 124.068 122.820 0.114 0.000 1.930 279 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 279 A C 2.323 180.022 177.584 0.192 0.000 1.175 279 A CA 1.766 53.885 52.037 0.136 0.000 0.627 279 A CB -0.508 18.564 19.000 0.121 0.000 0.815 279 A HN 0.345 nan 8.150 nan 0.000 0.443 280 A N -0.092 122.847 122.820 0.199 0.000 1.978 280 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 280 A C 2.069 179.894 177.584 0.400 0.000 1.170 280 A CA 1.490 53.701 52.037 0.290 0.000 0.636 280 A CB -0.634 18.507 19.000 0.235 0.000 0.810 280 A HN 0.494 nan 8.150 nan 0.000 0.448 281 L N -1.130 120.226 121.223 0.222 0.000 2.265 281 L HA -0.166 4.174 4.340 -0.000 0.000 0.215 281 L C 2.680 179.774 176.870 0.373 0.000 1.117 281 L CA 0.855 55.803 54.840 0.180 0.000 0.782 281 L CB -0.339 41.705 42.059 -0.024 0.000 0.914 281 L HN 0.446 nan 8.230 nan 0.000 0.441 282 A N -2.344 120.666 122.820 0.317 0.000 2.251 282 A HA -0.044 4.276 4.320 -0.000 0.000 0.209 282 A C 0.917 178.677 177.584 0.293 0.000 1.187 282 A CA -0.102 52.094 52.037 0.265 0.000 0.823 282 A CB -0.549 18.555 19.000 0.173 0.000 0.846 282 A HN 0.288 nan 8.150 nan 0.000 0.486 283 H N 1.138 120.404 119.070 0.327 0.000 2.764 283 H HA 0.100 4.656 4.556 -0.000 0.000 0.341 283 H C -1.487 173.969 175.328 0.214 0.000 1.072 283 H CA -1.123 55.075 56.048 0.250 0.000 1.444 283 H CB 1.295 31.205 29.762 0.247 0.000 1.458 283 H HN 0.089 nan 8.280 nan 0.000 0.572 284 P HA -0.205 nan 4.420 nan 0.000 0.220 284 P C 1.500 178.907 177.300 0.178 0.000 1.144 284 P CA 0.836 63.969 63.100 0.055 0.000 0.800 284 P CB -0.209 31.457 31.700 -0.056 0.000 0.772 285 F N 0.354 120.416 119.950 0.188 0.000 2.250 285 F HA -0.140 4.387 4.527 -0.000 0.000 0.301 285 F C 1.414 177.046 175.800 -0.279 0.000 1.077 285 F CA 1.314 59.234 58.000 -0.134 0.000 1.348 285 F CB -0.616 38.141 39.000 -0.405 0.000 1.040 285 F HN -0.245 nan 8.300 nan 0.000 0.509 286 F N 0.430 120.418 119.950 0.064 0.000 2.693 286 F HA 0.109 4.636 4.527 -0.000 0.000 0.303 286 F C 2.107 177.789 175.800 -0.196 0.000 1.097 286 F CA 0.247 58.162 58.000 -0.142 0.000 1.330 286 F CB -0.991 38.029 39.000 0.033 0.000 1.067 286 F HN 0.117 nan 8.300 nan 0.000 0.565 287 Q N 0.448 120.255 119.800 0.012 0.000 2.124 287 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 287 Q C 0.606 176.557 176.000 -0.081 0.000 0.977 287 Q CA 1.869 57.660 55.803 -0.020 0.000 0.850 287 Q CB -0.614 28.122 28.738 -0.003 0.000 0.901 287 Q HN 0.363 nan 8.270 nan 0.000 0.429 288 D N 0.827 121.157 120.400 -0.117 0.000 2.587 288 D HA 0.080 4.719 4.640 -0.000 0.000 0.233 288 D C -0.302 175.899 176.300 -0.165 0.000 1.213 288 D CA -0.456 53.468 54.000 -0.126 0.000 0.827 288 D CB 0.173 40.906 40.800 -0.112 0.000 1.006 288 D HN 0.132 nan 8.370 nan 0.000 0.490 289 V N 1.613 121.400 119.914 -0.212 0.000 2.555 289 V HA 0.314 4.434 4.120 -0.000 0.000 0.286 289 V C 0.493 176.458 176.094 -0.215 0.000 1.044 289 V CA 0.329 62.475 62.300 -0.257 0.000 1.026 289 V CB 0.842 32.402 31.823 -0.439 0.000 0.981 289 V HN 0.542 nan 8.190 nan 0.000 0.480 290 T N 3.760 118.220 114.554 -0.156 0.000 2.768 290 T HA 0.502 4.852 4.350 -0.000 0.000 0.268 290 T C -0.147 174.502 174.700 -0.084 0.000 0.969 290 T CA -0.779 61.254 62.100 -0.112 0.000 1.008 290 T CB 1.397 70.213 68.868 -0.088 0.000 1.371 290 T HN 0.501 nan 8.240 nan 0.000 0.587 291 K N 2.237 122.603 120.400 -0.058 0.000 2.682 291 K HA 0.341 4.661 4.320 -0.000 0.000 0.189 291 K C -2.624 173.950 176.600 -0.043 0.000 1.062 291 K CA -1.648 54.618 56.287 -0.035 0.000 0.997 291 K CB 0.479 32.972 32.500 -0.011 0.000 1.405 291 K HN 0.443 nan 8.250 nan 0.000 0.588 292 P HA 0.049 nan 4.420 nan 0.000 0.268 292 P C -0.550 176.717 177.300 -0.055 0.000 1.205 292 P CA -0.415 62.643 63.100 -0.070 0.000 0.771 292 P CB 0.872 32.514 31.700 -0.097 0.000 0.858 293 V N 5.359 125.260 119.914 -0.022 0.000 2.370 293 V HA 0.257 4.377 4.120 -0.000 0.000 0.279 293 V C -1.894 174.229 176.094 0.047 0.000 1.029 293 V CA -1.535 60.773 62.300 0.014 0.000 0.870 293 V CB 0.775 32.612 31.823 0.024 0.000 0.984 293 V HN 0.598 nan 8.190 nan 0.000 0.451 294 P HA 0.079 nan 4.420 nan 0.000 0.266 294 P C 0.688 178.135 177.300 0.245 0.000 1.195 294 P CA -0.153 63.075 63.100 0.214 0.000 0.768 294 P CB 0.388 32.274 31.700 0.311 0.000 0.838 295 H N 1.661 120.812 119.070 0.135 0.000 2.554 295 H HA -0.048 4.508 4.556 -0.000 0.000 0.290 295 H C 0.970 176.367 175.328 0.115 0.000 1.058 295 H CA 0.232 56.338 56.048 0.096 0.000 1.224 295 H CB -0.864 28.939 29.762 0.069 0.000 1.359 295 H HN 0.307 nan 8.280 nan 0.000 0.589 296 L N 0.000 121.388 121.223 0.276 0.000 2.949 296 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 296 L CA 0.000 54.984 54.840 0.239 0.000 0.813 296 L CB 0.000 42.219 42.059 0.267 0.000 0.961 296 L HN 0.000 nan 8.230 nan 0.000 0.502