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 1fvv_1_C 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 AFGVPVRTYT HEVVTLWYRA PEILLGCKYY STAVDIWSLG CIFAEMVTRR DATA SEQUENCE ALFPGDSEID QLFRIFRTLG TPDEVVWPGV TSMPDYKPSF PKWARQDFSK DATA SEQUENCE VVPPLDEDGR SLLSQMLHYD PNKRISAKAA LAHPFFQDVT KPVPHLRL 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 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.315 55.300 0.025 0.000 0.988 1 M CB 0.000 32.520 32.600 -0.133 0.000 1.302 2 E N -0.131 120.046 120.200 -0.038 0.000 2.358 2 E HA 0.048 4.398 4.350 -0.000 0.000 0.195 2 E C 0.578 177.112 176.600 -0.110 0.000 1.010 2 E CA 0.831 57.195 56.400 -0.060 0.000 0.856 2 E CB -0.497 29.170 29.700 -0.055 0.000 0.795 2 E HN 0.455 nan 8.360 nan 0.000 0.504 3 N N 0.364 118.932 118.700 -0.219 0.000 2.362 3 N HA 0.093 4.833 4.740 -0.000 0.000 0.204 3 N C -0.893 174.292 175.510 -0.541 0.000 1.166 3 N CA 0.185 53.010 53.050 -0.375 0.000 0.831 3 N CB -0.061 38.140 38.487 -0.478 0.000 1.008 3 N HN 0.053 nan 8.380 nan 0.000 0.472 4 F N 0.408 120.296 119.950 -0.105 0.000 2.495 4 F HA 0.323 4.850 4.527 -0.000 0.000 0.327 4 F C 0.393 176.127 175.800 -0.111 0.000 1.103 4 F CA -1.123 56.810 58.000 -0.111 0.000 0.949 4 F CB 1.761 40.672 39.000 -0.149 0.000 1.142 4 F HN -0.237 nan 8.300 nan 0.000 0.457 5 Q N 3.689 123.557 119.800 0.114 0.000 2.368 5 Q HA 0.341 4.681 4.340 -0.000 0.000 0.263 5 Q C -1.070 174.938 176.000 0.014 0.000 1.009 5 Q CA -0.555 55.266 55.803 0.029 0.000 0.818 5 Q CB 0.991 29.734 28.738 0.007 0.000 1.239 5 Q HN 0.481 nan 8.270 nan 0.000 0.464 6 K N 2.512 122.892 120.400 -0.033 0.000 2.350 6 K HA 0.163 4.483 4.320 -0.000 0.000 0.279 6 K C -0.023 176.571 176.600 -0.009 0.000 1.027 6 K CA -0.239 56.016 56.287 -0.054 0.000 0.969 6 K CB 1.232 33.632 32.500 -0.167 0.000 0.954 6 K HN 0.473 nan 8.250 nan 0.000 0.474 7 V N 1.494 121.414 119.914 0.011 0.000 2.784 7 V HA -0.004 4.116 4.120 -0.000 0.000 0.231 7 V C 0.152 176.276 176.094 0.051 0.000 1.128 7 V CA 0.710 63.015 62.300 0.009 0.000 1.178 7 V CB 0.144 31.940 31.823 -0.046 0.000 0.943 7 V HN 0.937 nan 8.190 nan 0.000 0.500 8 E N 0.632 120.874 120.200 0.070 0.000 2.335 8 E HA 0.267 4.617 4.350 -0.000 0.000 0.280 8 E C -1.069 175.593 176.600 0.104 0.000 0.918 8 E CA -0.791 55.664 56.400 0.092 0.000 0.765 8 E CB 1.930 31.664 29.700 0.057 0.000 1.218 8 E HN 0.202 nan 8.360 nan 0.000 0.425 9 K N 4.100 124.544 120.400 0.073 0.000 2.395 9 K HA 0.070 4.390 4.320 -0.000 0.000 0.283 9 K C 0.908 177.483 176.600 -0.041 0.000 1.068 9 K CA 0.072 56.305 56.287 -0.090 0.000 1.039 9 K CB -0.027 32.371 32.500 -0.169 0.000 0.924 9 K HN 0.644 nan 8.250 nan 0.000 0.468 10 I N 0.917 121.475 120.570 -0.020 0.000 3.928 10 I HA 0.384 4.554 4.170 -0.000 0.000 0.335 10 I C 0.437 176.554 176.117 0.000 0.000 1.325 10 I CA -0.496 60.831 61.300 0.044 0.000 1.107 10 I CB 0.440 38.538 38.000 0.163 0.000 1.014 10 I HN 0.585 nan 8.210 nan 0.000 0.400 11 G N 1.586 110.345 108.800 -0.067 0.000 2.402 11 G HA2 0.447 4.407 3.960 -0.000 0.000 0.301 11 G HA3 0.447 4.407 3.960 -0.000 0.000 0.301 11 G C -1.520 173.306 174.900 -0.122 0.000 1.615 11 G CA -0.374 44.681 45.100 -0.074 0.000 0.889 11 G HN 0.531 nan 8.290 nan 0.000 0.647 12 E N -0.400 119.742 120.200 -0.098 0.000 2.415 12 E HA 0.838 5.188 4.350 -0.000 0.000 0.271 12 E C 0.326 176.886 176.600 -0.067 0.000 1.094 12 E CA -0.407 55.932 56.400 -0.102 0.000 0.881 12 E CB 1.426 31.052 29.700 -0.124 0.000 1.581 12 E HN 2.211 nan 8.360 nan 0.000 0.460 13 G N -0.121 108.646 108.800 -0.056 0.000 2.350 13 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.085 13 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.085 13 G C 0.551 175.433 174.900 -0.030 0.000 1.159 13 G CA 0.316 45.392 45.100 -0.040 0.000 1.146 13 G HN 0.676 nan 8.290 nan 0.000 0.449 14 T N -0.483 114.055 114.554 -0.025 0.000 2.732 14 T HA 0.065 4.415 4.350 -0.000 0.000 0.261 14 T C 2.430 177.123 174.700 -0.011 0.000 1.040 14 T CA 3.177 65.267 62.100 -0.016 0.000 1.145 14 T CB -0.743 68.118 68.868 -0.013 0.000 0.866 14 T HN 1.472 nan 8.240 nan 0.000 0.427 15 Y N 0.542 120.836 120.300 -0.011 0.000 2.632 15 Y HA 0.443 4.993 4.550 -0.000 0.000 0.301 15 Y C 1.388 177.285 175.900 -0.005 0.000 1.172 15 Y CA 0.340 58.438 58.100 -0.002 0.000 1.328 15 Y CB -1.145 37.317 38.460 0.004 0.000 1.016 15 Y HN 0.849 nan 8.280 nan 0.000 0.529 16 G N -1.463 107.328 108.800 -0.016 0.000 2.619 16 G HA2 0.203 4.163 3.960 -0.000 0.000 0.686 16 G HA3 0.203 4.163 3.960 -0.000 0.000 0.686 16 G C -0.369 174.510 174.900 -0.035 0.000 1.256 16 G CA -0.379 44.710 45.100 -0.018 0.000 0.826 16 G HN 1.525 nan 8.290 nan 0.000 0.619 17 V N -0.171 119.710 119.914 -0.055 0.000 2.963 17 V HA 0.592 4.712 4.120 -0.000 0.000 0.306 17 V C 0.530 176.536 176.094 -0.147 0.000 1.077 17 V CA 0.293 62.493 62.300 -0.168 0.000 1.124 17 V CB 1.367 32.996 31.823 -0.323 0.000 0.987 17 V HN 1.398 nan 8.190 nan 0.000 0.487 18 V N 7.187 126.961 119.914 -0.233 0.000 2.380 18 V HA 0.447 4.567 4.120 -0.000 0.000 0.286 18 V C -0.963 175.057 176.094 -0.123 0.000 1.015 18 V CA -0.571 61.685 62.300 -0.073 0.000 0.834 18 V CB 0.961 32.764 31.823 -0.034 0.000 1.009 18 V HN 0.849 nan 8.190 nan 0.000 0.428 19 Y N 2.369 122.699 120.300 0.050 0.000 2.403 19 Y HA 0.543 5.093 4.550 -0.000 0.000 0.323 19 Y C 0.509 176.401 175.900 -0.013 0.000 1.226 19 Y CA -1.128 56.986 58.100 0.023 0.000 1.235 19 Y CB 0.972 39.444 38.460 0.020 0.000 1.248 19 Y HN 0.355 nan 8.280 nan 0.000 0.489 20 K N 1.977 122.429 120.400 0.087 0.000 2.234 20 K HA 0.761 5.081 4.320 -0.000 0.000 0.277 20 K C -1.154 175.365 176.600 -0.135 0.000 1.038 20 K CA -0.053 56.124 56.287 -0.183 0.000 0.888 20 K CB 0.629 32.870 32.500 -0.431 0.000 1.091 20 K HN 0.906 nan 8.250 nan 0.000 0.467 21 A N 4.289 127.027 122.820 -0.138 0.000 2.486 21 A HA 0.743 5.063 4.320 -0.000 0.000 0.289 21 A C -1.114 176.465 177.584 -0.008 0.000 1.176 21 A CA -0.959 51.047 52.037 -0.053 0.000 0.757 21 A CB 1.201 20.184 19.000 -0.027 0.000 1.337 21 A HN 0.872 nan 8.150 nan 0.000 0.423 22 R N 0.808 121.354 120.500 0.077 0.000 2.750 22 R HA 0.502 4.842 4.340 -0.000 0.000 0.281 22 R C -1.228 175.166 176.300 0.157 0.000 0.972 22 R CA -0.770 55.385 56.100 0.092 0.000 0.912 22 R CB 1.313 31.627 30.300 0.023 0.000 1.187 22 R HN 0.562 nan 8.270 nan 0.000 0.464 23 N N 2.407 121.163 118.700 0.093 0.000 2.402 23 N HA 0.041 4.781 4.740 -0.000 0.000 0.252 23 N C -0.080 175.355 175.510 -0.124 0.000 1.118 23 N CA -0.042 52.940 53.050 -0.113 0.000 0.945 23 N CB 1.122 39.553 38.487 -0.094 0.000 1.147 23 N HN 0.653 nan 8.380 nan 0.000 0.495 24 K N 2.918 123.219 120.400 -0.165 0.000 2.519 24 K HA -0.047 4.273 4.320 -0.000 0.000 0.196 24 K C 1.086 177.621 176.600 -0.109 0.000 1.041 24 K CA 0.797 57.017 56.287 -0.112 0.000 0.954 24 K CB 0.479 32.914 32.500 -0.109 0.000 0.774 24 K HN 0.547 nan 8.250 nan 0.000 0.480 25 L N -0.675 120.464 121.223 -0.139 0.000 2.435 25 L HA -0.029 4.311 4.340 -0.000 0.000 0.195 25 L C 2.411 179.236 176.870 -0.076 0.000 1.072 25 L CA 0.856 55.632 54.840 -0.106 0.000 0.833 25 L CB -0.175 41.808 42.059 -0.127 0.000 1.081 25 L HN 0.158 nan 8.230 nan 0.000 0.485 26 T N -3.518 110.990 114.554 -0.077 0.000 3.067 26 T HA 0.159 4.509 4.350 -0.000 0.000 0.257 26 T C 1.500 176.187 174.700 -0.022 0.000 1.105 26 T CA 0.635 62.710 62.100 -0.042 0.000 1.104 26 T CB 0.466 69.316 68.868 -0.031 0.000 0.925 26 T HN 0.447 nan 8.240 nan 0.000 0.498 27 G N 1.471 110.255 108.800 -0.026 0.000 2.162 27 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.260 27 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.260 27 G C -0.137 174.775 174.900 0.020 0.000 0.976 27 G CA 0.373 45.470 45.100 -0.005 0.000 0.655 27 G HN 0.924 nan 8.290 nan 0.000 0.533 28 E N 0.026 120.244 120.200 0.030 0.000 2.398 28 E HA 0.408 4.758 4.350 -0.000 0.000 0.263 28 E C -0.073 176.578 176.600 0.086 0.000 1.046 28 E CA -0.437 56.001 56.400 0.063 0.000 0.908 28 E CB 0.799 30.543 29.700 0.073 0.000 0.963 28 E HN 0.130 nan 8.360 nan 0.000 0.431 29 V N 5.773 125.744 119.914 0.094 0.000 2.370 29 V HA 0.267 4.387 4.120 -0.000 0.000 0.279 29 V C 0.209 176.377 176.094 0.123 0.000 1.029 29 V CA -0.363 61.980 62.300 0.071 0.000 0.870 29 V CB 0.944 32.802 31.823 0.059 0.000 0.984 29 V HN 0.576 nan 8.190 nan 0.000 0.451 30 V N 2.682 122.646 119.914 0.084 0.000 3.181 30 V HA 1.052 5.172 4.120 -0.000 0.000 0.314 30 V C -0.103 176.047 176.094 0.093 0.000 1.173 30 V CA -0.971 61.407 62.300 0.131 0.000 1.052 30 V CB 2.087 33.966 31.823 0.094 0.000 1.123 30 V HN 0.953 nan 8.190 nan 0.000 0.454 31 A N 1.622 124.558 122.820 0.193 0.000 2.319 31 A HA 0.813 5.133 4.320 -0.000 0.000 0.310 31 A C -0.787 176.925 177.584 0.215 0.000 1.152 31 A CA -0.600 51.573 52.037 0.225 0.000 0.783 31 A CB 0.680 19.865 19.000 0.309 0.000 1.184 31 A HN 0.898 nan 8.150 nan 0.000 0.474 32 L N 2.628 123.951 121.223 0.165 0.000 2.265 32 L HA 0.412 4.752 4.340 -0.000 0.000 0.289 32 L C 0.371 177.427 176.870 0.309 0.000 1.033 32 L CA -0.424 54.530 54.840 0.190 0.000 0.814 32 L CB 1.416 43.532 42.059 0.096 0.000 1.203 32 L HN 0.761 nan 8.230 nan 0.000 0.423 33 K N 4.982 125.585 120.400 0.339 0.000 2.264 33 K HA 0.239 4.559 4.320 -0.000 0.000 0.277 33 K C -0.464 176.246 176.600 0.184 0.000 1.067 33 K CA -0.549 55.898 56.287 0.267 0.000 0.900 33 K CB 0.831 33.553 32.500 0.370 0.000 1.124 33 K HN 0.398 nan 8.250 nan 0.000 0.469 34 K N 5.532 126.014 120.400 0.138 0.000 2.201 34 K HA 0.305 4.625 4.320 -0.000 0.000 0.278 34 K C -0.874 175.664 176.600 -0.103 0.000 1.027 34 K CA -0.532 55.709 56.287 -0.077 0.000 0.909 34 K CB 0.715 33.266 32.500 0.085 0.000 1.062 34 K HN 0.599 nan 8.250 nan 0.000 0.465 35 I N 4.790 125.233 120.570 -0.212 0.000 2.439 35 I HA 0.185 4.355 4.170 -0.000 0.000 0.283 35 I C 0.739 176.770 176.117 -0.143 0.000 1.023 35 I CA -0.733 60.495 61.300 -0.121 0.000 1.100 35 I CB 1.662 39.612 38.000 -0.085 0.000 1.238 35 I HN 0.610 nan 8.210 nan 0.000 0.445 36 R N 5.160 125.608 120.500 -0.086 0.000 2.120 36 R HA 0.162 4.502 4.340 -0.000 0.000 0.234 36 R C 0.109 176.387 176.300 -0.037 0.000 1.123 36 R CA 1.217 57.280 56.100 -0.061 0.000 0.975 36 R CB -0.191 30.095 30.300 -0.023 0.000 0.866 36 R HN 0.643 nan 8.270 nan 0.000 0.446 37 L N -0.378 120.829 121.223 -0.027 0.000 0.589 37 L HA -0.192 4.148 4.340 -0.000 0.000 0.356 37 L C -0.928 175.944 176.870 0.004 0.000 1.004 37 L CA 0.541 55.377 54.840 -0.007 0.000 1.223 37 L CB -0.322 41.741 42.059 0.007 0.000 0.059 37 L HN 0.291 nan 8.230 nan 0.000 0.097 38 D N 1.778 122.184 120.400 0.010 0.000 2.736 38 D HA 0.201 4.841 4.640 -0.000 0.000 0.293 38 D C 0.905 177.216 176.300 0.018 0.000 1.241 38 D CA -0.153 53.854 54.000 0.012 0.000 0.965 38 D CB 0.552 41.358 40.800 0.011 0.000 0.992 38 D HN 0.555 nan 8.370 nan 0.000 0.510 39 T N 0.593 115.160 114.554 0.020 0.000 3.438 39 T HA -0.120 4.230 4.350 -0.000 0.000 0.263 39 T C 1.212 175.923 174.700 0.019 0.000 1.199 39 T CA 0.730 62.845 62.100 0.024 0.000 1.019 39 T CB 0.260 69.142 68.868 0.024 0.000 0.942 39 T HN 0.307 nan 8.240 nan 0.000 0.562 40 E N 0.515 120.725 120.200 0.016 0.000 2.576 40 E HA 0.033 4.383 4.350 -0.000 0.000 0.214 40 E C 1.387 177.995 176.600 0.013 0.000 0.859 40 E CA 0.474 56.882 56.400 0.014 0.000 1.399 40 E CB 0.548 30.255 29.700 0.012 0.000 1.374 40 E HN 0.382 nan 8.360 nan 0.000 0.718 41 T N -2.560 112.002 114.554 0.013 0.000 3.403 41 T HA 0.372 4.722 4.350 -0.000 0.000 0.308 41 T C 0.640 175.348 174.700 0.013 0.000 0.952 41 T CA 0.045 62.152 62.100 0.012 0.000 0.970 41 T CB 0.309 69.183 68.868 0.010 0.000 1.189 41 T HN 0.102 nan 8.240 nan 0.000 0.528 42 E N 0.259 120.468 120.200 0.015 0.000 2.521 42 E HA 0.376 4.726 4.350 -0.000 0.000 0.199 42 E C 1.196 177.808 176.600 0.019 0.000 1.006 42 E CA 0.578 56.987 56.400 0.016 0.000 1.630 42 E CB 0.350 30.058 29.700 0.014 0.000 2.725 42 E HN 0.501 nan 8.360 nan 0.000 1.103 43 G N 1.290 110.104 108.800 0.023 0.000 2.547 43 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.271 43 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.271 43 G C -0.168 174.749 174.900 0.028 0.000 1.209 43 G CA -0.045 45.075 45.100 0.033 0.000 0.959 43 G HN 0.295 nan 8.290 nan 0.000 0.563 44 V N 3.667 123.598 119.914 0.028 0.000 2.479 44 V HA 0.351 4.471 4.120 -0.000 0.000 0.281 44 V C -1.309 174.784 176.094 -0.002 0.000 1.031 44 V CA -0.288 62.012 62.300 -0.001 0.000 1.038 44 V CB 0.971 32.775 31.823 -0.030 0.000 0.981 44 V HN 0.599 nan 8.190 nan 0.000 0.478 45 P HA 0.002 nan 4.420 nan 0.000 0.262 45 P C 0.863 178.169 177.300 0.010 0.000 1.182 45 P CA 0.244 63.348 63.100 0.006 0.000 0.761 45 P CB 0.493 32.195 31.700 0.004 0.000 0.795 46 S N 0.858 116.571 115.700 0.021 0.000 2.507 46 S HA -0.124 4.346 4.470 -0.000 0.000 0.235 46 S C 1.276 175.899 174.600 0.038 0.000 0.988 46 S CA 1.557 59.774 58.200 0.028 0.000 0.944 46 S CB -1.072 62.148 63.200 0.033 0.000 0.762 46 S HN 0.458 nan 8.310 nan 0.000 0.526 47 T N 2.024 116.600 114.554 0.037 0.000 2.809 47 T HA 0.262 4.612 4.350 -0.000 0.000 0.260 47 T C 2.250 176.978 174.700 0.045 0.000 1.039 47 T CA 0.917 63.044 62.100 0.046 0.000 1.141 47 T CB -0.754 68.138 68.868 0.040 0.000 0.869 47 T HN 0.577 nan 8.240 nan 0.000 0.437 48 A N 1.789 124.626 122.820 0.029 0.000 1.933 48 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 48 A C 2.263 179.853 177.584 0.011 0.000 1.175 48 A CA 0.924 52.974 52.037 0.022 0.000 0.628 48 A CB -0.736 18.257 19.000 -0.011 0.000 0.814 48 A HN 0.350 nan 8.150 nan 0.000 0.444 49 I N 0.046 120.620 120.570 0.005 0.000 2.163 49 I HA -0.240 3.930 4.170 -0.000 0.000 0.243 49 I C 2.591 178.720 176.117 0.019 0.000 1.085 49 I CA 1.633 62.935 61.300 0.003 0.000 1.347 49 I CB -1.159 36.847 38.000 0.010 0.000 1.044 49 I HN 0.398 nan 8.210 nan 0.000 0.408 50 R N 0.106 120.629 120.500 0.038 0.000 2.075 50 R HA -0.134 4.206 4.340 -0.000 0.000 0.226 50 R C 2.127 178.464 176.300 0.061 0.000 1.114 50 R CA 0.994 57.126 56.100 0.053 0.000 0.972 50 R CB -0.309 30.033 30.300 0.070 0.000 0.869 50 R HN 0.439 nan 8.270 nan 0.000 0.437 51 E N 1.444 121.690 120.200 0.077 0.000 2.038 51 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 51 E C 1.974 178.604 176.600 0.051 0.000 1.000 51 E CA 1.296 57.761 56.400 0.108 0.000 0.803 51 E CB -0.028 29.768 29.700 0.159 0.000 0.750 51 E HN 0.217 nan 8.360 nan 0.000 0.448 52 I N 1.024 121.609 120.570 0.025 0.000 2.090 52 I HA -0.300 3.870 4.170 -0.000 0.000 0.236 52 I C 2.843 178.940 176.117 -0.033 0.000 1.064 52 I CA 1.469 62.754 61.300 -0.026 0.000 1.324 52 I CB -0.719 37.252 38.000 -0.049 0.000 1.044 52 I HN 0.241 nan 8.210 nan 0.000 0.399 53 S N 1.303 116.992 115.700 -0.018 0.000 2.400 53 S HA -0.150 4.320 4.470 -0.000 0.000 0.232 53 S C 1.943 176.533 174.600 -0.017 0.000 1.025 53 S CA 1.196 59.387 58.200 -0.015 0.000 0.993 53 S CB -0.698 62.499 63.200 -0.003 0.000 0.808 53 S HN 0.420 nan 8.310 nan 0.000 0.478 54 L N 0.027 121.240 121.223 -0.017 0.000 2.145 54 L HA 0.211 4.551 4.340 -0.000 0.000 0.201 54 L C 2.701 179.513 176.870 -0.096 0.000 1.075 54 L CA 0.606 55.429 54.840 -0.028 0.000 0.773 54 L CB -0.460 41.609 42.059 0.016 0.000 0.936 54 L HN 0.271 nan 8.230 nan 0.000 0.451 55 L N 0.743 121.869 121.223 -0.161 0.000 2.046 55 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 55 L C 2.390 179.194 176.870 -0.110 0.000 1.077 55 L CA 1.465 56.162 54.840 -0.239 0.000 0.747 55 L CB -0.446 41.486 42.059 -0.212 0.000 0.896 55 L HN 0.373 nan 8.230 nan 0.000 0.432 56 K N 0.187 120.545 120.400 -0.070 0.000 2.643 56 K HA -0.181 4.139 4.320 -0.000 0.000 0.193 56 K C 1.284 177.882 176.600 -0.003 0.000 1.027 56 K CA 1.168 57.432 56.287 -0.039 0.000 1.033 56 K CB -0.044 32.429 32.500 -0.044 0.000 0.827 56 K HN 0.421 nan 8.250 nan 0.000 0.500 57 E N 0.759 120.963 120.200 0.006 0.000 2.572 57 E HA 0.122 4.472 4.350 -0.000 0.000 0.220 57 E C -0.227 176.454 176.600 0.135 0.000 0.945 57 E CA -0.194 56.237 56.400 0.052 0.000 1.070 57 E CB 0.544 30.256 29.700 0.020 0.000 1.090 57 E HN 0.295 nan 8.360 nan 0.000 0.506 58 L N 2.522 123.809 121.223 0.108 0.000 2.603 58 L HA 0.394 4.734 4.340 -0.000 0.000 0.242 58 L C -0.522 176.490 176.870 0.237 0.000 1.169 58 L CA -0.408 54.588 54.840 0.259 0.000 1.029 58 L CB 0.670 42.765 42.059 0.061 0.000 1.361 58 L HN 0.028 nan 8.230 nan 0.000 0.439 59 N N 1.689 120.542 118.700 0.254 0.000 2.420 59 N HA 0.270 5.010 4.740 -0.000 0.000 0.249 59 N C -1.057 174.340 175.510 -0.190 0.000 1.033 59 N CA -0.208 52.864 53.050 0.037 0.000 0.944 59 N CB 1.123 39.628 38.487 0.030 0.000 1.113 59 N HN 0.455 nan 8.380 nan 0.000 0.502 60 H N 1.770 120.625 119.070 -0.358 0.000 3.046 60 H HA 0.249 4.805 4.556 -0.000 0.000 0.363 60 H C -1.943 173.219 175.328 -0.278 0.000 1.203 60 H CA -1.196 54.526 56.048 -0.544 0.000 1.169 60 H CB 2.204 31.469 29.762 -0.827 0.000 1.851 60 H HN 0.258 nan 8.280 nan 0.000 0.546 61 P HA -0.057 nan 4.420 nan 0.000 0.226 61 P C -0.284 177.005 177.300 -0.018 0.000 1.153 61 P CA 1.047 64.035 63.100 -0.185 0.000 0.777 61 P CB 0.322 31.867 31.700 -0.259 0.000 0.794 62 N N -0.391 118.436 118.700 0.213 0.000 2.273 62 N HA 0.252 4.992 4.740 -0.000 0.000 0.231 62 N C -0.111 175.434 175.510 0.058 0.000 1.134 62 N CA -0.162 52.959 53.050 0.118 0.000 0.856 62 N CB 0.292 38.839 38.487 0.100 0.000 1.068 62 N HN 0.135 nan 8.380 nan 0.000 0.510 63 I N 1.166 121.781 120.570 0.076 0.000 2.517 63 I HA 0.122 4.292 4.170 -0.000 0.000 0.280 63 I C -0.070 176.092 176.117 0.076 0.000 1.061 63 I CA -0.847 60.516 61.300 0.104 0.000 1.091 63 I CB 1.880 39.939 38.000 0.098 0.000 1.205 63 I HN -0.171 nan 8.210 nan 0.000 0.459 64 V N 6.742 126.708 119.914 0.086 0.000 2.839 64 V HA -0.173 3.947 4.120 -0.000 0.000 0.296 64 V C 0.548 176.713 176.094 0.117 0.000 1.239 64 V CA 0.977 63.321 62.300 0.072 0.000 1.349 64 V CB 0.491 32.343 31.823 0.047 0.000 0.852 64 V HN 0.773 nan 8.190 nan 0.000 0.504 65 K N 5.700 126.166 120.400 0.111 0.000 2.234 65 K HA 0.402 4.722 4.320 -0.000 0.000 0.282 65 K C -0.611 176.083 176.600 0.157 0.000 1.039 65 K CA -0.871 55.477 56.287 0.100 0.000 0.928 65 K CB 1.127 33.651 32.500 0.041 0.000 1.039 65 K HN 0.660 nan 8.250 nan 0.000 0.470 66 L N 6.700 127.952 121.223 0.048 0.000 2.283 66 L HA 0.165 4.505 4.340 -0.000 0.000 0.287 66 L C 0.173 176.953 176.870 -0.150 0.000 1.073 66 L CA 0.366 55.093 54.840 -0.187 0.000 0.822 66 L CB 0.499 42.411 42.059 -0.246 0.000 1.186 66 L HN 0.843 nan 8.230 nan 0.000 0.436 67 L N 2.946 124.076 121.223 -0.155 0.000 2.307 67 L HA 0.313 4.653 4.340 -0.000 0.000 0.211 67 L C 0.035 176.864 176.870 -0.069 0.000 1.099 67 L CA 0.319 55.120 54.840 -0.066 0.000 0.816 67 L CB -0.065 41.994 42.059 0.000 0.000 0.952 67 L HN 0.694 nan 8.230 nan 0.000 0.455 68 D N -2.160 118.162 120.400 -0.131 0.000 2.783 68 D HA 0.280 4.920 4.640 -0.000 0.000 0.253 68 D C -1.575 174.658 176.300 -0.112 0.000 1.206 68 D CA -0.248 53.706 54.000 -0.076 0.000 0.740 68 D CB 1.957 42.763 40.800 0.009 0.000 1.313 68 D HN -0.322 nan 8.370 nan 0.000 0.427 69 V N 2.331 122.213 119.914 -0.053 0.000 2.443 69 V HA 0.490 4.610 4.120 -0.000 0.000 0.293 69 V C -0.316 175.804 176.094 0.043 0.000 1.021 69 V CA -0.605 61.673 62.300 -0.037 0.000 0.848 69 V CB 1.324 33.111 31.823 -0.059 0.000 0.998 69 V HN 0.460 nan 8.190 nan 0.000 0.424 70 I N 4.040 124.666 120.570 0.093 0.000 2.282 70 I HA 0.275 4.445 4.170 -0.000 0.000 0.290 70 I C 0.433 176.679 176.117 0.214 0.000 1.090 70 I CA 0.155 61.546 61.300 0.152 0.000 1.231 70 I CB 0.258 38.356 38.000 0.163 0.000 1.434 70 I HN 0.604 nan 8.210 nan 0.000 0.487 71 H N 5.747 124.856 119.070 0.066 0.000 2.914 71 H HA 0.271 4.827 4.556 -0.000 0.000 0.264 71 H C 0.336 175.697 175.328 0.055 0.000 1.433 71 H CA -0.522 55.557 56.048 0.052 0.000 1.342 71 H CB 0.291 30.070 29.762 0.029 0.000 1.582 71 H HN 0.668 nan 8.280 nan 0.000 0.525 72 T N -0.274 114.412 114.554 0.219 0.000 2.814 72 T HA 0.046 4.396 4.350 -0.000 0.000 0.284 72 T C 1.060 175.792 174.700 0.053 0.000 0.998 72 T CA -0.804 61.357 62.100 0.101 0.000 0.935 72 T CB 1.481 70.430 68.868 0.134 0.000 1.167 72 T HN 0.626 nan 8.240 nan 0.000 0.545 73 E N -0.069 120.141 120.200 0.017 0.000 2.474 73 E HA -0.025 4.325 4.350 -0.000 0.000 0.194 73 E C 1.476 178.098 176.600 0.037 0.000 1.041 73 E CA 0.052 56.453 56.400 0.002 0.000 0.874 73 E CB 0.069 29.759 29.700 -0.017 0.000 0.914 73 E HN 0.631 nan 8.360 nan 0.000 0.498 74 N N 1.127 119.861 118.700 0.057 0.000 2.258 74 N HA -0.053 4.687 4.740 -0.000 0.000 0.183 74 N C 0.788 176.327 175.510 0.049 0.000 1.029 74 N CA 0.724 53.808 53.050 0.055 0.000 0.857 74 N CB 0.085 38.613 38.487 0.069 0.000 1.008 74 N HN -0.009 nan 8.380 nan 0.000 0.433 75 K N -0.179 120.259 120.400 0.064 0.000 2.428 75 K HA 0.404 4.724 4.320 -0.000 0.000 0.279 75 K C -1.661 174.950 176.600 0.019 0.000 1.041 75 K CA -0.723 55.559 56.287 -0.009 0.000 0.887 75 K CB 1.433 33.850 32.500 -0.139 0.000 1.535 75 K HN 0.059 nan 8.250 nan 0.000 0.417 76 L N 1.687 122.846 121.223 -0.107 0.000 2.343 76 L HA 0.464 4.804 4.340 -0.000 0.000 0.278 76 L C -1.561 175.208 176.870 -0.169 0.000 0.996 76 L CA -0.924 53.877 54.840 -0.064 0.000 0.831 76 L CB 0.999 42.994 42.059 -0.107 0.000 1.232 76 L HN 0.562 nan 8.230 nan 0.000 0.413 77 Y N 4.813 125.116 120.300 0.004 0.000 2.330 77 Y HA 0.431 4.981 4.550 -0.000 0.000 0.336 77 Y C -0.079 175.785 175.900 -0.060 0.000 1.036 77 Y CA -0.528 57.562 58.100 -0.016 0.000 1.125 77 Y CB 1.752 40.188 38.460 -0.041 0.000 1.194 77 Y HN 0.347 nan 8.280 nan 0.000 0.469 78 L N 5.096 126.376 121.223 0.095 0.000 2.295 78 L HA 0.407 4.747 4.340 -0.000 0.000 0.281 78 L C -0.890 175.882 176.870 -0.163 0.000 1.018 78 L CA -0.908 53.873 54.840 -0.099 0.000 0.841 78 L CB 0.906 42.946 42.059 -0.031 0.000 1.218 78 L HN 0.357 nan 8.230 nan 0.000 0.424 79 V N 4.287 124.039 119.914 -0.270 0.000 2.408 79 V HA 0.295 4.415 4.120 -0.000 0.000 0.267 79 V C -0.029 175.900 176.094 -0.277 0.000 1.047 79 V CA 0.114 62.288 62.300 -0.209 0.000 0.937 79 V CB 0.427 32.144 31.823 -0.177 0.000 0.999 79 V HN 0.370 nan 8.190 nan 0.000 0.472 80 F N 2.277 122.229 119.950 0.004 0.000 2.575 80 F HA 0.489 5.016 4.527 -0.000 0.000 0.330 80 F C 0.673 176.505 175.800 0.053 0.000 1.056 80 F CA -1.068 56.950 58.000 0.029 0.000 0.964 80 F CB 1.232 40.256 39.000 0.040 0.000 1.258 80 F HN 0.577 nan 8.300 nan 0.000 0.484 81 E N 0.929 121.294 120.200 0.276 0.000 2.390 81 E HA 0.182 4.532 4.350 -0.000 0.000 0.261 81 E C -1.465 175.256 176.600 0.201 0.000 1.076 81 E CA -0.391 56.115 56.400 0.178 0.000 0.905 81 E CB 1.004 30.763 29.700 0.099 0.000 0.984 81 E HN 0.457 nan 8.360 nan 0.000 0.427 82 F N 2.884 122.836 119.950 0.003 0.000 2.422 82 F HA 0.509 5.036 4.527 -0.000 0.000 0.333 82 F C -1.503 174.194 175.800 -0.172 0.000 1.095 82 F CA -0.961 57.007 58.000 -0.055 0.000 1.038 82 F CB 0.982 39.961 39.000 -0.036 0.000 1.156 82 F HN 0.428 nan 8.300 nan 0.000 0.483 83 L N 5.430 125.906 121.223 -1.245 0.000 2.370 83 L HA 0.354 4.694 4.340 -0.000 0.000 0.266 83 L C 0.958 176.877 176.870 -1.585 0.000 1.002 83 L CA -0.572 53.554 54.840 -1.190 0.000 0.818 83 L CB 1.916 43.629 42.059 -0.576 0.000 1.325 83 L HN 0.616 nan 8.230 nan 0.000 0.418 84 H N 0.404 119.038 119.070 -0.727 0.000 2.423 84 H HA 0.022 4.578 4.556 -0.000 0.000 0.297 84 H C 0.172 175.384 175.328 -0.193 0.000 1.075 84 H CA 0.774 56.588 56.048 -0.390 0.000 1.342 84 H CB 0.492 30.161 29.762 -0.155 0.000 1.395 84 H HN 0.510 nan 8.280 nan 0.000 0.530 85 Q N 1.113 120.856 119.800 -0.096 0.000 2.527 85 Q HA 0.169 4.509 4.340 -0.000 0.000 0.280 85 Q C -1.800 174.160 176.000 -0.067 0.000 0.977 85 Q CA -0.808 54.978 55.803 -0.027 0.000 0.837 85 Q CB 2.143 30.913 28.738 0.053 0.000 1.454 85 Q HN 0.209 nan 8.270 nan 0.000 0.387 86 D N 1.302 121.687 120.400 -0.025 0.000 2.340 86 D HA 0.131 4.771 4.640 -0.000 0.000 0.251 86 D C 0.807 177.125 176.300 0.029 0.000 1.080 86 D CA -0.655 53.323 54.000 -0.038 0.000 0.971 86 D CB 0.797 41.576 40.800 -0.036 0.000 1.137 86 D HN 0.479 nan 8.370 nan 0.000 0.475 87 L N 0.108 121.339 121.223 0.013 0.000 2.353 87 L HA -0.062 4.278 4.340 -0.000 0.000 0.220 87 L C 1.884 178.862 176.870 0.181 0.000 1.133 87 L CA 1.666 56.581 54.840 0.124 0.000 0.798 87 L CB -0.755 41.340 42.059 0.061 0.000 0.922 87 L HN 0.626 nan 8.230 nan 0.000 0.445 88 K N -0.136 120.329 120.400 0.109 0.000 1.980 88 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 88 K C 2.203 178.880 176.600 0.128 0.000 1.043 88 K CA 1.415 57.767 56.287 0.109 0.000 0.938 88 K CB -0.216 32.327 32.500 0.071 0.000 0.724 88 K HN 0.214 nan 8.250 nan 0.000 0.438 89 K N -0.376 120.098 120.400 0.123 0.000 2.360 89 K HA -0.172 4.148 4.320 -0.000 0.000 0.201 89 K C 1.737 178.452 176.600 0.192 0.000 1.046 89 K CA 1.047 57.411 56.287 0.128 0.000 0.940 89 K CB -0.089 32.480 32.500 0.114 0.000 0.748 89 K HN 0.171 nan 8.250 nan 0.000 0.465 90 F N 0.528 120.516 119.950 0.063 0.000 2.317 90 F HA 0.110 4.637 4.527 -0.000 0.000 0.290 90 F C 1.792 177.640 175.800 0.080 0.000 1.075 90 F CA 0.764 58.814 58.000 0.083 0.000 1.380 90 F CB -0.029 39.041 39.000 0.115 0.000 1.093 90 F HN -0.085 nan 8.300 nan 0.000 0.524 91 M N 0.016 119.663 119.600 0.079 0.000 2.159 91 M HA -0.202 4.278 4.480 -0.000 0.000 0.263 91 M C 1.566 177.825 176.300 -0.069 0.000 1.063 91 M CA 1.645 56.929 55.300 -0.027 0.000 1.110 91 M CB -0.502 32.146 32.600 0.080 0.000 1.374 91 M HN 0.018 nan 8.290 nan 0.000 0.411 92 D N 0.516 120.909 120.400 -0.011 0.000 2.183 92 D HA -0.028 4.612 4.640 -0.000 0.000 0.203 92 D C 1.494 177.764 176.300 -0.050 0.000 0.969 92 D CA 1.114 55.106 54.000 -0.013 0.000 0.842 92 D CB -0.008 40.807 40.800 0.025 0.000 0.957 92 D HN 0.308 nan 8.370 nan 0.000 0.484 93 A N -0.144 122.631 122.820 -0.075 0.000 2.291 93 A HA 0.170 4.490 4.320 -0.000 0.000 0.220 93 A C 1.188 178.650 177.584 -0.204 0.000 1.262 93 A CA 0.246 52.228 52.037 -0.092 0.000 0.867 93 A CB 0.184 19.175 19.000 -0.016 0.000 0.888 93 A HN -0.007 nan 8.150 nan 0.000 0.487 94 S N -1.924 113.639 115.700 -0.228 0.000 3.051 94 S HA 0.348 4.818 4.470 -0.000 0.000 0.250 94 S C 1.444 175.955 174.600 -0.149 0.000 0.906 94 S CA 0.157 58.211 58.200 -0.244 0.000 1.234 94 S CB 0.259 63.203 63.200 -0.426 0.000 1.175 94 S HN 0.674 nan 8.310 nan 0.000 0.635 95 A N 1.683 124.440 122.820 -0.104 0.000 1.851 95 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 95 A C 1.980 179.524 177.584 -0.066 0.000 1.195 95 A CA 1.751 53.746 52.037 -0.071 0.000 0.622 95 A CB -0.664 18.308 19.000 -0.047 0.000 0.831 95 A HN 0.441 nan 8.150 nan 0.000 0.444 96 L N -0.794 120.393 121.223 -0.061 0.000 1.993 96 L HA -0.048 4.292 4.340 -0.000 0.000 0.206 96 L C 2.640 179.475 176.870 -0.059 0.000 1.074 96 L CA 3.082 57.890 54.840 -0.053 0.000 0.746 96 L CB -1.371 40.662 42.059 -0.044 0.000 0.896 96 L HN 0.459 nan 8.230 nan 0.000 0.435 97 T N -0.811 113.704 114.554 -0.065 0.000 2.635 97 T HA 0.156 4.506 4.350 -0.000 0.000 0.267 97 T C 0.993 175.651 174.700 -0.070 0.000 1.040 97 T CA 1.760 63.821 62.100 -0.066 0.000 1.156 97 T CB -0.818 68.006 68.868 -0.073 0.000 0.863 97 T HN 1.056 nan 8.240 nan 0.000 0.430 98 G N -0.314 108.432 108.800 -0.091 0.000 2.592 98 G HA2 0.012 3.972 3.960 -0.000 0.000 0.684 98 G HA3 0.012 3.972 3.960 -0.000 0.000 0.684 98 G C -0.962 173.875 174.900 -0.104 0.000 1.291 98 G CA -0.384 44.665 45.100 -0.086 0.000 0.891 98 G HN 0.620 nan 8.290 nan 0.000 0.544 99 I N 2.296 122.823 120.570 -0.073 0.000 2.418 99 I HA 0.327 4.497 4.170 -0.000 0.000 0.287 99 I C -1.782 174.329 176.117 -0.010 0.000 1.008 99 I CA -2.050 59.218 61.300 -0.053 0.000 1.104 99 I CB 2.366 40.355 38.000 -0.019 0.000 1.264 99 I HN 0.367 nan 8.210 nan 0.000 0.438 100 P HA -0.016 nan 4.420 nan 0.000 0.258 100 P C 0.988 178.293 177.300 0.008 0.000 1.172 100 P CA 0.178 63.276 63.100 -0.003 0.000 0.762 100 P CB 0.729 32.426 31.700 -0.005 0.000 0.764 101 L N 5.298 126.536 121.223 0.025 0.000 2.051 101 L HA -0.166 4.174 4.340 -0.000 0.000 0.214 101 L C -0.161 176.731 176.870 0.036 0.000 1.076 101 L CA 2.034 56.911 54.840 0.062 0.000 0.758 101 L CB -2.426 39.674 42.059 0.068 0.000 0.890 101 L HN 0.367 nan 8.230 nan 0.000 0.433 102 P HA -0.220 nan 4.420 nan 0.000 0.216 102 P C 1.872 179.148 177.300 -0.039 0.000 1.150 102 P CA 1.431 64.508 63.100 -0.039 0.000 0.837 102 P CB 0.009 31.683 31.700 -0.043 0.000 0.786 103 L N -0.194 120.991 121.223 -0.064 0.000 2.005 103 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 103 L C 2.694 179.451 176.870 -0.189 0.000 1.072 103 L CA 1.574 56.304 54.840 -0.184 0.000 0.744 103 L CB -1.394 40.523 42.059 -0.237 0.000 0.895 103 L HN -0.212 nan 8.230 nan 0.000 0.433 104 I N -0.196 120.349 120.570 -0.042 0.000 2.113 104 I HA -0.433 3.737 4.170 -0.000 0.000 0.242 104 I C 2.627 178.909 176.117 0.274 0.000 1.064 104 I CA 2.063 63.451 61.300 0.147 0.000 1.320 104 I CB -0.488 37.661 38.000 0.248 0.000 1.028 104 I HN 0.389 nan 8.210 nan 0.000 0.406 105 K N 0.499 121.049 120.400 0.250 0.000 2.044 105 K HA -0.257 4.063 4.320 -0.000 0.000 0.210 105 K C 2.358 179.197 176.600 0.398 0.000 1.049 105 K CA 2.092 58.563 56.287 0.308 0.000 0.927 105 K CB -0.184 32.297 32.500 -0.031 0.000 0.713 105 K HN 0.170 nan 8.250 nan 0.000 0.443 106 S N -0.620 115.215 115.700 0.226 0.000 2.359 106 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 106 S C 1.915 176.772 174.600 0.428 0.000 1.035 106 S CA 1.125 59.479 58.200 0.257 0.000 1.018 106 S CB -0.409 62.878 63.200 0.145 0.000 0.876 106 S HN 0.385 nan 8.310 nan 0.000 0.448 107 Y N 1.204 121.613 120.300 0.183 0.000 2.097 107 Y HA -0.052 4.498 4.550 -0.000 0.000 0.282 107 Y C 2.381 178.360 175.900 0.133 0.000 1.152 107 Y CA 0.919 59.099 58.100 0.134 0.000 1.136 107 Y CB -1.385 37.152 38.460 0.129 0.000 0.975 107 Y HN 0.317 nan 8.280 nan 0.000 0.498 108 L N -0.706 120.736 121.223 0.364 0.000 2.131 108 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 108 L C 2.240 179.202 176.870 0.154 0.000 1.092 108 L CA 1.422 56.389 54.840 0.212 0.000 0.759 108 L CB -1.031 41.084 42.059 0.094 0.000 0.903 108 L HN 0.171 nan 8.230 nan 0.000 0.435 109 F N -0.240 119.727 119.950 0.028 0.000 2.084 109 F HA -0.240 4.287 4.527 -0.000 0.000 0.296 109 F C 2.463 178.112 175.800 -0.252 0.000 1.111 109 F CA 1.820 59.540 58.000 -0.466 0.000 1.224 109 F CB -0.138 38.647 39.000 -0.358 0.000 0.991 109 F HN 0.150 nan 8.300 nan 0.000 0.471 110 Q N 0.485 120.313 119.800 0.048 0.000 2.002 110 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 110 Q C 2.369 178.280 176.000 -0.149 0.000 0.988 110 Q CA 2.213 57.986 55.803 -0.049 0.000 0.843 110 Q CB -0.569 28.200 28.738 0.052 0.000 0.908 110 Q HN 0.481 nan 8.270 nan 0.000 0.420 111 L N 0.519 121.678 121.223 -0.106 0.000 2.051 111 L HA -0.267 4.073 4.340 -0.000 0.000 0.214 111 L C 2.414 179.169 176.870 -0.192 0.000 1.076 111 L CA 1.170 55.927 54.840 -0.138 0.000 0.758 111 L CB -0.578 41.423 42.059 -0.097 0.000 0.890 111 L HN 0.311 nan 8.230 nan 0.000 0.433 112 L N -1.040 120.043 121.223 -0.234 0.000 2.141 112 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 112 L C 2.687 179.363 176.870 -0.323 0.000 1.094 112 L CA 1.070 55.746 54.840 -0.274 0.000 0.763 112 L CB -0.373 41.498 42.059 -0.313 0.000 0.908 112 L HN 0.353 nan 8.230 nan 0.000 0.437 113 Q N -0.317 119.252 119.800 -0.385 0.000 2.016 113 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 113 Q C 2.316 178.073 176.000 -0.404 0.000 0.978 113 Q CA 1.529 57.129 55.803 -0.337 0.000 0.833 113 Q CB -0.459 28.119 28.738 -0.268 0.000 0.895 113 Q HN 0.576 nan 8.270 nan 0.000 0.427 114 G N 0.813 109.372 108.800 -0.401 0.000 2.462 114 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 114 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 114 G C 1.321 176.055 174.900 -0.276 0.000 1.121 114 G CA 0.599 45.411 45.100 -0.480 0.000 0.758 114 G HN 0.220 nan 8.290 nan 0.000 0.559 115 L N 0.625 121.692 121.223 -0.259 0.000 2.270 115 L HA 0.435 4.775 4.340 -0.000 0.000 0.210 115 L C 2.913 179.548 176.870 -0.392 0.000 1.104 115 L CA 1.537 56.193 54.840 -0.306 0.000 0.804 115 L CB -0.310 41.542 42.059 -0.344 0.000 0.937 115 L HN 0.169 nan 8.230 nan 0.000 0.450 116 A N -1.009 121.654 122.820 -0.262 0.000 1.969 116 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 116 A C 2.120 179.683 177.584 -0.035 0.000 1.169 116 A CA 1.448 53.404 52.037 -0.134 0.000 0.635 116 A CB -0.904 18.041 19.000 -0.091 0.000 0.810 116 A HN 0.457 nan 8.150 nan 0.000 0.445 117 F N 0.516 120.293 119.950 -0.290 0.000 2.031 117 F HA -0.222 4.305 4.527 -0.000 0.000 0.295 117 F C 2.629 178.301 175.800 -0.212 0.000 1.133 117 F CA 1.423 59.221 58.000 -0.337 0.000 1.188 117 F CB -0.956 37.726 39.000 -0.529 0.000 0.974 117 F HN 0.320 nan 8.300 nan 0.000 0.473 118 C N 0.179 119.465 119.300 -0.024 0.000 2.375 118 C HA -0.290 4.170 4.460 -0.000 0.000 0.274 118 C C 2.735 177.878 174.990 0.255 0.000 1.190 118 C CA 1.606 60.693 59.018 0.114 0.000 1.775 118 C CB -1.755 26.152 27.740 0.278 0.000 2.067 118 C HN 0.537 nan 8.230 nan 0.000 0.463 119 H N 1.075 120.216 119.070 0.118 0.000 2.389 119 H HA -0.055 4.501 4.556 -0.000 0.000 0.299 119 H C 2.511 177.923 175.328 0.140 0.000 1.081 119 H CA 1.907 58.093 56.048 0.230 0.000 1.345 119 H CB -0.737 29.140 29.762 0.193 0.000 1.393 119 H HN 0.645 nan 8.280 nan 0.000 0.520 120 S N -0.110 115.707 115.700 0.194 0.000 2.522 120 S HA -0.079 4.391 4.470 -0.000 0.000 0.227 120 S C 0.662 175.333 174.600 0.118 0.000 0.986 120 S CA 0.529 58.815 58.200 0.144 0.000 0.929 120 S CB -0.180 63.113 63.200 0.155 0.000 0.769 120 S HN 0.403 nan 8.310 nan 0.000 0.529 121 H N 1.962 120.876 119.070 -0.260 0.000 2.472 121 H HA 0.394 4.950 4.556 -0.000 0.000 0.287 121 H C 0.207 175.342 175.328 -0.323 0.000 1.112 121 H CA -0.455 55.399 56.048 -0.323 0.000 1.021 121 H CB -0.236 29.252 29.762 -0.457 0.000 1.635 121 H HN 0.495 nan 8.280 nan 0.000 0.559 122 R N -1.225 119.038 120.500 -0.395 0.000 3.184 122 R HA -0.139 4.201 4.340 -0.000 0.000 0.242 122 R C -1.513 174.396 176.300 -0.651 0.000 0.907 122 R CA 0.445 55.878 56.100 -1.111 0.000 0.618 122 R CB -3.073 26.665 30.300 -0.937 0.000 1.016 122 R HN 0.088 nan 8.270 nan 0.000 0.469 123 V N 1.529 121.457 119.914 0.023 0.000 2.525 123 V HA 0.431 4.551 4.120 -0.000 0.000 0.299 123 V C 0.148 176.576 176.094 0.556 0.000 1.034 123 V CA -0.831 61.662 62.300 0.322 0.000 0.863 123 V CB 1.917 33.877 31.823 0.228 0.000 0.999 123 V HN 0.346 nan 8.190 nan 0.000 0.423 124 L N 4.007 125.504 121.223 0.457 0.000 2.307 124 L HA 0.496 4.836 4.340 -0.000 0.000 0.282 124 L C 1.344 178.313 176.870 0.165 0.000 1.051 124 L CA -0.601 54.396 54.840 0.262 0.000 0.804 124 L CB 1.307 43.394 42.059 0.046 0.000 1.197 124 L HN 0.746 nan 8.230 nan 0.000 0.431 125 H N 4.046 123.144 119.070 0.047 0.000 2.343 125 H HA 0.030 4.586 4.556 -0.000 0.000 0.303 125 H C 0.996 176.215 175.328 -0.182 0.000 1.068 125 H CA 1.478 57.425 56.048 -0.168 0.000 1.359 125 H CB 0.542 30.121 29.762 -0.306 0.000 1.402 125 H HN 0.614 nan 8.280 nan 0.000 0.515 126 R N -0.630 119.897 120.500 0.045 0.000 3.953 126 R HA -0.203 4.137 4.340 -0.000 0.000 0.448 126 R C -0.333 175.952 176.300 -0.026 0.000 1.016 126 R CA 1.407 57.445 56.100 -0.102 0.000 1.398 126 R CB -1.499 28.610 30.300 -0.318 0.000 2.021 126 R HN 0.358 nan 8.270 nan 0.000 0.538 127 D N 0.322 120.830 120.400 0.180 0.000 2.837 127 D HA 0.228 4.868 4.640 -0.000 0.000 0.340 127 D C -0.509 175.745 176.300 -0.076 0.000 1.451 127 D CA -0.196 53.846 54.000 0.070 0.000 0.798 127 D CB 0.345 41.172 40.800 0.044 0.000 1.169 127 D HN 0.100 nan 8.370 nan 0.000 0.449 128 L N 2.177 123.266 121.223 -0.223 0.000 2.530 128 L HA 0.195 4.535 4.340 -0.000 0.000 0.273 128 L C 0.433 177.082 176.870 -0.369 0.000 1.141 128 L CA 0.557 55.134 54.840 -0.438 0.000 0.905 128 L CB 0.034 41.895 42.059 -0.329 0.000 1.202 128 L HN 0.137 nan 8.230 nan 0.000 0.473 129 K N 2.601 122.744 120.400 -0.428 0.000 2.568 129 K HA 0.445 4.765 4.320 -0.000 0.000 0.273 129 K C -2.790 173.582 176.600 -0.380 0.000 0.951 129 K CA -1.678 54.254 56.287 -0.591 0.000 0.854 129 K CB 1.641 33.854 32.500 -0.479 0.000 1.424 129 K HN -0.129 nan 8.250 nan 0.000 0.427 130 P HA -0.264 nan 4.420 nan 0.000 0.217 130 P C 0.670 177.912 177.300 -0.097 0.000 1.158 130 P CA 1.712 64.733 63.100 -0.131 0.000 0.887 130 P CB 0.115 31.804 31.700 -0.018 0.000 0.792 131 Q N -1.548 118.198 119.800 -0.090 0.000 2.364 131 Q HA -0.091 4.249 4.340 -0.000 0.000 0.209 131 Q C 1.362 177.305 176.000 -0.095 0.000 0.977 131 Q CA 1.073 56.835 55.803 -0.067 0.000 0.885 131 Q CB -0.802 27.904 28.738 -0.053 0.000 0.941 131 Q HN 0.337 nan 8.270 nan 0.000 0.464 132 N N -0.617 118.001 118.700 -0.137 0.000 2.280 132 N HA 0.108 4.848 4.740 -0.000 0.000 0.192 132 N C -0.586 174.825 175.510 -0.165 0.000 1.109 132 N CA 0.204 53.167 53.050 -0.144 0.000 0.855 132 N CB 0.636 39.023 38.487 -0.168 0.000 0.974 132 N HN 0.238 nan 8.380 nan 0.000 0.482 133 L N 1.757 122.878 121.223 -0.170 0.000 2.265 133 L HA 0.436 4.776 4.340 -0.000 0.000 0.289 133 L C -0.143 176.624 176.870 -0.173 0.000 1.033 133 L CA -0.418 54.314 54.840 -0.180 0.000 0.814 133 L CB 1.321 43.266 42.059 -0.190 0.000 1.203 133 L HN -0.236 nan 8.230 nan 0.000 0.423 134 L N 5.239 126.351 121.223 -0.184 0.000 2.343 134 L HA 0.656 4.996 4.340 -0.000 0.000 0.275 134 L C -0.145 176.570 176.870 -0.258 0.000 1.056 134 L CA -0.747 53.971 54.840 -0.205 0.000 0.804 134 L CB 1.809 43.745 42.059 -0.205 0.000 1.203 134 L HN 0.573 nan 8.230 nan 0.000 0.440 135 I N -0.497 119.916 120.570 -0.261 0.000 2.686 135 I HA 0.557 4.727 4.170 -0.000 0.000 0.295 135 I C -1.083 174.928 176.117 -0.177 0.000 1.114 135 I CA -0.787 60.348 61.300 -0.275 0.000 1.038 135 I CB 2.190 39.970 38.000 -0.367 0.000 1.238 135 I HN 0.589 nan 8.210 nan 0.000 0.420 136 N N 1.945 120.587 118.700 -0.097 0.000 2.592 136 N HA 0.283 5.023 4.740 -0.000 0.000 0.292 136 N C 0.623 176.211 175.510 0.131 0.000 1.260 136 N CA -0.144 52.975 53.050 0.115 0.000 0.910 136 N CB 0.936 39.430 38.487 0.011 0.000 1.257 136 N HN 0.773 nan 8.380 nan 0.000 0.569 137 T N -3.637 111.022 114.554 0.176 0.000 3.163 137 T HA 0.046 4.396 4.350 -0.000 0.000 0.260 137 T C 0.440 175.135 174.700 -0.008 0.000 1.156 137 T CA 0.817 62.886 62.100 -0.052 0.000 1.072 137 T CB -0.229 68.496 68.868 -0.239 0.000 0.937 137 T HN 0.467 nan 8.240 nan 0.000 0.528 138 E N 0.995 121.216 120.200 0.035 0.000 2.479 138 E HA 0.371 4.721 4.350 -0.000 0.000 0.193 138 E C 1.443 178.067 176.600 0.039 0.000 1.049 138 E CA 0.446 56.864 56.400 0.029 0.000 0.870 138 E CB -0.191 29.528 29.700 0.032 0.000 0.944 138 E HN 0.627 nan 8.360 nan 0.000 0.492 139 G N -0.079 108.752 108.800 0.053 0.000 2.165 139 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.226 139 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.226 139 G C 0.130 175.131 174.900 0.169 0.000 1.035 139 G CA 0.060 45.231 45.100 0.119 0.000 0.744 139 G HN 0.471 nan 8.290 nan 0.000 0.501 140 A N -0.463 122.394 122.820 0.061 0.000 2.355 140 A HA 0.906 5.226 4.320 -0.000 0.000 0.324 140 A C -0.248 177.226 177.584 -0.183 0.000 1.117 140 A CA -0.552 51.477 52.037 -0.013 0.000 0.785 140 A CB 1.655 20.638 19.000 -0.027 0.000 1.254 140 A HN 1.305 nan 8.150 nan 0.000 0.453 141 I N 0.971 121.382 120.570 -0.264 0.000 2.545 141 I HA 0.537 4.707 4.170 -0.000 0.000 0.292 141 I C -1.012 174.971 176.117 -0.224 0.000 1.040 141 I CA -0.589 60.470 61.300 -0.402 0.000 1.068 141 I CB 1.774 39.315 38.000 -0.766 0.000 1.251 141 I HN 0.739 nan 8.210 nan 0.000 0.424 142 K N 7.186 127.473 120.400 -0.189 0.000 2.435 142 K HA 0.551 4.871 4.320 -0.000 0.000 0.251 142 K C -1.331 175.220 176.600 -0.082 0.000 0.954 142 K CA -0.842 55.383 56.287 -0.103 0.000 0.820 142 K CB 2.558 35.018 32.500 -0.067 0.000 1.292 142 K HN 0.496 nan 8.250 nan 0.000 0.436 143 L N 2.048 123.265 121.223 -0.010 0.000 2.416 143 L HA 0.420 4.760 4.340 -0.000 0.000 0.272 143 L C 0.175 177.152 176.870 0.178 0.000 1.161 143 L CA -0.105 54.750 54.840 0.024 0.000 0.845 143 L CB 0.787 42.916 42.059 0.117 0.000 1.119 143 L HN 0.795 nan 8.230 nan 0.000 0.464 144 A N 2.076 124.953 122.820 0.095 0.000 2.530 144 A HA 0.480 4.800 4.320 -0.000 0.000 0.288 144 A C -0.657 177.019 177.584 0.153 0.000 1.172 144 A CA -0.472 51.657 52.037 0.152 0.000 0.733 144 A CB 1.292 20.274 19.000 -0.030 0.000 1.320 144 A HN 0.790 nan 8.150 nan 0.000 0.419 145 D N -1.119 119.347 120.400 0.110 0.000 3.617 145 D HA -0.152 4.488 4.640 -0.000 0.000 0.226 145 D C -1.002 175.277 176.300 -0.035 0.000 1.125 145 D CA 0.683 54.712 54.000 0.047 0.000 1.083 145 D CB -0.621 40.165 40.800 -0.025 0.000 0.833 145 D HN 0.419 nan 8.370 nan 0.000 0.399 146 F N 1.044 120.917 119.950 -0.129 0.000 2.730 146 F HA 0.309 4.836 4.527 -0.000 0.000 0.295 146 F C 2.197 177.906 175.800 -0.151 0.000 1.143 146 F CA 0.149 57.998 58.000 -0.252 0.000 1.367 146 F CB 0.535 39.456 39.000 -0.131 0.000 0.970 146 F HN 0.366 nan 8.300 nan 0.000 0.514 147 G N 0.134 108.944 108.800 0.015 0.000 2.450 147 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 147 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 147 G C 1.394 176.293 174.900 -0.003 0.000 1.130 147 G CA 0.661 45.775 45.100 0.022 0.000 0.760 147 G HN 0.416 nan 8.290 nan 0.000 0.557 148 L N 0.663 121.838 121.223 -0.080 0.000 2.700 148 L HA 0.430 4.770 4.340 -0.000 0.000 0.234 148 L C 1.369 178.184 176.870 -0.093 0.000 1.156 148 L CA -0.618 54.175 54.840 -0.079 0.000 0.946 148 L CB 0.208 42.186 42.059 -0.135 0.000 1.216 148 L HN 0.187 nan 8.230 nan 0.000 0.493 149 A N 0.994 123.771 122.820 -0.072 0.000 2.407 149 A HA 0.595 4.915 4.320 -0.000 0.000 0.248 149 A C 0.089 177.723 177.584 0.082 0.000 1.082 149 A CA 0.076 52.115 52.037 0.004 0.000 0.785 149 A CB 0.348 19.461 19.000 0.188 0.000 1.020 149 A HN 0.246 nan 8.150 nan 0.000 0.489 150 R N 0.002 120.574 120.500 0.120 0.000 2.626 150 R HA 0.577 4.917 4.340 -0.000 0.000 0.274 150 R C -0.910 175.524 176.300 0.223 0.000 1.031 150 R CA -0.379 55.814 56.100 0.155 0.000 0.898 150 R CB 2.053 32.448 30.300 0.159 0.000 1.222 150 R HN 0.901 nan 8.270 nan 0.000 0.455 151 A N 3.075 126.004 122.820 0.181 0.000 2.309 151 A HA 0.618 4.938 4.320 -0.000 0.000 0.298 151 A C 0.036 177.760 177.584 0.234 0.000 1.165 151 A CA -0.497 51.628 52.037 0.146 0.000 0.821 151 A CB 0.125 19.143 19.000 0.031 0.000 1.102 151 A HN 0.536 nan 8.150 nan 0.000 0.500 152 F N 1.010 120.981 119.950 0.035 0.000 2.513 152 F HA 0.724 5.251 4.527 -0.000 0.000 0.184 152 F C 1.721 177.526 175.800 0.008 0.000 0.900 152 F CA -0.347 57.669 58.000 0.027 0.000 1.005 152 F CB -0.952 38.057 39.000 0.015 0.000 2.250 152 F HN 1.056 nan 8.300 nan 0.000 0.682 153 G N -0.781 108.086 108.800 0.113 0.000 2.383 153 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.229 153 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.229 153 G C -0.419 174.507 174.900 0.043 0.000 1.089 153 G CA 0.112 45.208 45.100 -0.007 0.000 0.640 153 G HN 0.730 nan 8.290 nan 0.000 0.510 154 V N 2.967 122.930 119.914 0.081 0.000 2.525 154 V HA 0.561 4.681 4.120 -0.000 0.000 0.299 154 V C -2.084 174.072 176.094 0.104 0.000 1.034 154 V CA -1.433 60.903 62.300 0.061 0.000 0.863 154 V CB 2.091 33.948 31.823 0.057 0.000 0.999 154 V HN 0.198 nan 8.190 nan 0.000 0.423 155 P HA 0.025 nan 4.420 nan 0.000 0.266 155 P C -0.700 176.715 177.300 0.193 0.000 1.186 155 P CA 0.144 63.243 63.100 -0.002 0.000 0.767 155 P CB 0.361 31.795 31.700 -0.444 0.000 0.820 156 V N 4.705 124.786 119.914 0.279 0.000 2.383 156 V HA 0.235 4.355 4.120 -0.000 0.000 0.275 156 V C 0.928 177.281 176.094 0.432 0.000 1.036 156 V CA -0.410 62.103 62.300 0.355 0.000 0.889 156 V CB 0.559 32.601 31.823 0.364 0.000 0.985 156 V HN 0.445 nan 8.190 nan 0.000 0.459 157 R N 2.634 123.310 120.500 0.292 0.000 2.438 157 R HA 0.299 4.639 4.340 -0.000 0.000 0.287 157 R C 0.507 176.797 176.300 -0.016 0.000 1.077 157 R CA -0.252 55.855 56.100 0.012 0.000 1.034 157 R CB 0.891 31.144 30.300 -0.077 0.000 0.993 157 R HN 0.867 nan 8.270 nan 0.000 0.459 158 T N 0.635 115.016 114.554 -0.288 0.000 2.870 158 T HA 0.053 4.403 4.350 -0.000 0.000 0.300 158 T C 0.157 174.842 174.700 -0.025 0.000 0.989 158 T CA -0.499 61.354 62.100 -0.412 0.000 1.139 158 T CB 0.195 68.709 68.868 -0.591 0.000 0.920 158 T HN 0.234 nan 8.240 nan 0.000 0.537 159 Y N 2.305 122.602 120.300 -0.005 0.000 2.904 159 Y HA 0.041 4.591 4.550 -0.000 0.000 0.336 159 Y C 2.224 178.079 175.900 -0.074 0.000 1.263 159 Y CA 0.533 58.650 58.100 0.029 0.000 1.547 159 Y CB 0.141 38.677 38.460 0.128 0.000 1.272 159 Y HN 0.971 nan 8.280 nan 0.000 0.596 160 T N 2.437 116.965 114.554 -0.042 0.000 2.929 160 T HA -0.141 4.209 4.350 -0.000 0.000 0.271 160 T C 0.166 174.637 174.700 -0.382 0.000 1.085 160 T CA 1.192 63.141 62.100 -0.251 0.000 1.125 160 T CB -0.346 68.304 68.868 -0.363 0.000 0.874 160 T HN 0.532 nan 8.240 nan 0.000 0.494 161 H N 1.198 120.349 119.070 0.135 0.000 3.036 161 H HA 0.444 5.000 4.556 -0.000 0.000 0.295 161 H C 0.067 175.486 175.328 0.153 0.000 1.124 161 H CA -0.409 55.709 56.048 0.116 0.000 1.507 161 H CB 0.330 30.149 29.762 0.095 0.000 1.591 161 H HN 0.505 nan 8.280 nan 0.000 0.510 162 E N 1.739 122.057 120.200 0.196 0.000 2.653 162 E HA 0.159 4.509 4.350 -0.000 0.000 0.264 162 E C 1.104 177.728 176.600 0.040 0.000 0.949 162 E CA 0.830 57.295 56.400 0.110 0.000 0.953 162 E CB 0.285 30.033 29.700 0.081 0.000 0.925 162 E HN 0.482 nan 8.360 nan 0.000 0.475 163 V N 0.020 119.878 119.914 -0.092 0.000 3.484 163 V HA 0.214 4.334 4.120 -0.000 0.000 0.252 163 V C 1.208 177.241 176.094 -0.103 0.000 1.282 163 V CA 0.289 62.512 62.300 -0.128 0.000 1.104 163 V CB -0.173 31.481 31.823 -0.281 0.000 0.868 163 V HN 0.606 nan 8.190 nan 0.000 0.457 164 V N 2.502 122.360 119.914 -0.094 0.000 2.752 164 V HA 0.025 4.145 4.120 -0.000 0.000 0.306 164 V C 1.120 177.222 176.094 0.012 0.000 1.099 164 V CA 1.397 63.677 62.300 -0.034 0.000 1.240 164 V CB 0.264 32.099 31.823 0.021 0.000 0.887 164 V HN 0.626 nan 8.190 nan 0.000 0.499 165 T N 5.463 120.039 114.554 0.037 0.000 2.792 165 T HA 0.018 4.368 4.350 -0.000 0.000 0.286 165 T C 0.978 175.731 174.700 0.089 0.000 0.970 165 T CA -0.287 61.839 62.100 0.042 0.000 1.187 165 T CB -0.184 68.744 68.868 0.101 0.000 0.915 165 T HN 0.604 nan 8.240 nan 0.000 0.529 166 L N 7.126 128.348 121.223 -0.003 0.000 2.030 166 L HA -0.139 4.201 4.340 -0.000 0.000 0.222 166 L C 1.786 178.760 176.870 0.172 0.000 1.082 166 L CA 2.233 57.101 54.840 0.047 0.000 0.785 166 L CB -0.807 41.253 42.059 0.001 0.000 0.895 166 L HN 0.799 nan 8.230 nan 0.000 0.439 167 W N -0.751 120.513 121.300 -0.061 0.000 2.335 167 W HA -0.219 4.441 4.660 -0.000 0.000 0.311 167 W C 2.483 178.857 176.519 -0.242 0.000 1.213 167 W CA 1.229 58.430 57.345 -0.241 0.000 1.274 167 W CB -1.588 27.541 29.460 -0.552 0.000 1.148 167 W HN 0.282 nan 8.180 nan 0.000 0.498 168 Y N -0.261 120.281 120.300 0.404 0.000 2.462 168 Y HA 0.173 4.723 4.550 -0.000 0.000 0.293 168 Y C 1.376 177.498 175.900 0.369 0.000 1.195 168 Y CA -0.165 58.158 58.100 0.372 0.000 1.276 168 Y CB -0.795 37.816 38.460 0.252 0.000 1.082 168 Y HN -0.269 nan 8.280 nan 0.000 0.514 169 R N 1.649 122.341 120.500 0.320 0.000 2.438 169 R HA 0.499 4.839 4.340 -0.000 0.000 0.287 169 R C 0.078 176.325 176.300 -0.088 0.000 1.077 169 R CA -0.177 56.015 56.100 0.153 0.000 1.034 169 R CB 0.454 30.806 30.300 0.086 0.000 0.993 169 R HN 0.235 nan 8.270 nan 0.000 0.459 170 A N 5.972 128.615 122.820 -0.295 0.000 2.351 170 A HA 0.263 4.583 4.320 -0.000 0.000 0.257 170 A C -1.567 175.624 177.584 -0.655 0.000 1.087 170 A CA -1.426 50.051 52.037 -0.933 0.000 0.798 170 A CB 0.317 19.029 19.000 -0.479 0.000 1.033 170 A HN 0.740 nan 8.150 nan 0.000 0.488 171 P HA -0.245 nan 4.420 nan 0.000 0.215 171 P C 1.027 178.398 177.300 0.118 0.000 1.153 171 P CA 1.769 64.737 63.100 -0.220 0.000 0.853 171 P CB 0.045 31.728 31.700 -0.028 0.000 0.788 172 E N 0.688 120.994 120.200 0.177 0.000 2.204 172 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 172 E C 2.180 178.851 176.600 0.118 0.000 0.989 172 E CA 0.959 57.548 56.400 0.316 0.000 0.824 172 E CB -1.216 28.682 29.700 0.330 0.000 0.756 172 E HN 0.323 nan 8.360 nan 0.000 0.477 173 I N 0.918 121.505 120.570 0.028 0.000 2.252 173 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 173 I C 2.683 178.803 176.117 0.005 0.000 1.102 173 I CA 0.781 62.079 61.300 -0.003 0.000 1.385 173 I CB -0.272 37.745 38.000 0.028 0.000 1.064 173 I HN 0.020 nan 8.210 nan 0.000 0.414 174 L N 0.323 121.551 121.223 0.008 0.000 2.046 174 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 174 L C 2.193 179.097 176.870 0.057 0.000 1.077 174 L CA 1.273 56.122 54.840 0.016 0.000 0.747 174 L CB -0.442 41.608 42.059 -0.015 0.000 0.896 174 L HN 0.252 nan 8.230 nan 0.000 0.432 175 L N 0.359 121.641 121.223 0.099 0.000 2.675 175 L HA 0.058 4.398 4.340 -0.000 0.000 0.238 175 L C 0.937 177.845 176.870 0.064 0.000 1.155 175 L CA 0.231 55.146 54.840 0.125 0.000 0.881 175 L CB -1.069 41.060 42.059 0.118 0.000 1.008 175 L HN 0.461 nan 8.230 nan 0.000 0.443 176 G N 0.932 109.750 108.800 0.030 0.000 2.370 176 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.295 176 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.295 176 G C 0.168 175.047 174.900 -0.035 0.000 1.045 176 G CA 0.015 45.106 45.100 -0.014 0.000 1.199 176 G HN 0.498 nan 8.290 nan 0.000 0.513 177 C N -0.014 119.260 119.300 -0.042 0.000 2.398 177 C HA 0.762 5.222 4.460 -0.000 0.000 0.364 177 C C 1.912 176.813 174.990 -0.149 0.000 1.219 177 C CA -0.398 58.594 59.018 -0.043 0.000 2.312 177 C CB 1.678 29.434 27.740 0.027 0.000 2.428 177 C HN 0.699 nan 8.230 nan 0.000 0.564 178 K N 0.413 120.707 120.400 -0.178 0.000 2.057 178 K HA -0.042 4.278 4.320 -0.000 0.000 0.207 178 K C -0.302 175.893 176.600 -0.674 0.000 1.049 178 K CA 1.510 57.529 56.287 -0.447 0.000 0.931 178 K CB -0.021 32.170 32.500 -0.516 0.000 0.714 178 K HN 0.814 nan 8.250 nan 0.000 0.440 179 Y N -1.903 118.330 120.300 -0.112 0.000 2.576 179 Y HA 0.304 4.854 4.550 -0.000 0.000 0.346 179 Y C -0.447 175.364 175.900 -0.148 0.000 1.018 179 Y CA -1.446 56.582 58.100 -0.120 0.000 1.050 179 Y CB 0.683 39.127 38.460 -0.026 0.000 1.280 179 Y HN -0.184 nan 8.280 nan 0.000 0.474 180 Y N 0.614 121.010 120.300 0.160 0.000 2.295 180 Y HA 0.524 5.074 4.550 -0.000 0.000 0.331 180 Y C 0.748 176.625 175.900 -0.039 0.000 1.311 180 Y CA -0.143 57.985 58.100 0.047 0.000 1.430 180 Y CB 1.309 39.786 38.460 0.028 0.000 1.339 180 Y HN 0.675 nan 8.280 nan 0.000 0.552 181 S N -2.222 113.525 115.700 0.078 0.000 2.819 181 S HA 0.288 4.758 4.470 -0.000 0.000 0.299 181 S C 0.420 174.873 174.600 -0.244 0.000 1.192 181 S CA -0.177 57.940 58.200 -0.138 0.000 0.847 181 S CB 0.938 64.101 63.200 -0.061 0.000 1.224 181 S HN 0.593 nan 8.310 nan 0.000 0.537 182 T N -1.509 112.839 114.554 -0.344 0.000 3.023 182 T HA 0.219 4.569 4.350 -0.000 0.000 0.266 182 T C 1.918 176.587 174.700 -0.053 0.000 1.093 182 T CA 0.784 62.633 62.100 -0.417 0.000 1.129 182 T CB -0.767 67.776 68.868 -0.542 0.000 0.899 182 T HN 0.944 nan 8.240 nan 0.000 0.491 183 A N 2.240 125.059 122.820 -0.003 0.000 1.972 183 A HA 0.045 4.365 4.320 -0.000 0.000 0.219 183 A C 2.657 180.336 177.584 0.158 0.000 1.169 183 A CA 1.613 53.705 52.037 0.092 0.000 0.635 183 A CB -1.132 17.904 19.000 0.061 0.000 0.810 183 A HN 0.684 nan 8.150 nan 0.000 0.446 184 V N -1.796 118.193 119.914 0.125 0.000 2.407 184 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 184 V C 1.765 177.984 176.094 0.209 0.000 1.055 184 V CA 2.533 64.935 62.300 0.169 0.000 1.049 184 V CB -0.892 31.029 31.823 0.163 0.000 0.662 184 V HN 0.379 nan 8.190 nan 0.000 0.455 185 D N 0.377 120.884 120.400 0.179 0.000 2.144 185 D HA -0.035 4.605 4.640 -0.000 0.000 0.200 185 D C 2.141 178.551 176.300 0.183 0.000 0.978 185 D CA 1.289 55.401 54.000 0.187 0.000 0.833 185 D CB -0.125 40.843 40.800 0.281 0.000 0.961 185 D HN 0.409 nan 8.370 nan 0.000 0.470 186 I N 0.324 121.024 120.570 0.216 0.000 2.315 186 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 186 I C 2.297 178.528 176.117 0.191 0.000 1.117 186 I CA 0.634 62.036 61.300 0.169 0.000 1.404 186 I CB -1.002 37.096 38.000 0.164 0.000 1.071 186 I HN 0.283 nan 8.210 nan 0.000 0.419 187 W N 2.011 123.361 121.300 0.084 0.000 2.332 187 W HA -0.263 4.397 4.660 -0.000 0.000 0.321 187 W C 2.591 179.194 176.519 0.141 0.000 1.219 187 W CA 2.029 59.431 57.345 0.095 0.000 1.277 187 W CB -0.448 29.056 29.460 0.073 0.000 1.161 187 W HN 0.093 nan 8.180 nan 0.000 0.476 188 S N 1.392 117.314 115.700 0.370 0.000 2.372 188 S HA -0.246 4.224 4.470 -0.000 0.000 0.227 188 S C 1.958 176.643 174.600 0.142 0.000 1.044 188 S CA 1.846 60.221 58.200 0.291 0.000 1.050 188 S CB -0.874 62.441 63.200 0.192 0.000 0.901 188 S HN 0.284 nan 8.310 nan 0.000 0.447 189 L N 0.729 121.999 121.223 0.078 0.000 2.083 189 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 189 L C 2.719 179.640 176.870 0.085 0.000 1.083 189 L CA 1.207 56.075 54.840 0.046 0.000 0.752 189 L CB -1.147 40.919 42.059 0.011 0.000 0.899 189 L HN 0.448 nan 8.230 nan 0.000 0.433 190 G N -0.775 108.044 108.800 0.030 0.000 2.433 190 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 190 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 190 G C 1.632 176.539 174.900 0.013 0.000 1.186 190 G CA 0.908 46.018 45.100 0.016 0.000 0.779 190 G HN 0.401 nan 8.290 nan 0.000 0.543 191 C N 0.551 119.825 119.300 -0.044 0.000 2.413 191 C HA 0.010 4.470 4.460 -0.000 0.000 0.276 191 C C 2.824 177.924 174.990 0.183 0.000 1.248 191 C CA 0.505 59.567 59.018 0.074 0.000 1.742 191 C CB -0.980 26.913 27.740 0.256 0.000 2.017 191 C HN 0.462 nan 8.230 nan 0.000 0.481 192 I N -0.157 120.549 120.570 0.226 0.000 2.546 192 I HA -0.135 4.035 4.170 -0.000 0.000 0.255 192 I C 2.404 178.655 176.117 0.224 0.000 1.163 192 I CA 1.074 62.494 61.300 0.201 0.000 1.457 192 I CB -0.539 37.511 38.000 0.084 0.000 1.092 192 I HN 0.262 nan 8.210 nan 0.000 0.434 193 F N 2.525 122.490 119.950 0.026 0.000 2.039 193 F HA -0.172 4.355 4.527 -0.000 0.000 0.294 193 F C 2.548 178.339 175.800 -0.015 0.000 1.130 193 F CA 1.385 59.393 58.000 0.014 0.000 1.189 193 F CB -0.954 38.027 39.000 -0.031 0.000 0.983 193 F HN 0.011 nan 8.300 nan 0.000 0.471 194 A N 0.137 122.830 122.820 -0.211 0.000 1.892 194 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 194 A C 2.287 179.748 177.584 -0.205 0.000 1.188 194 A CA 2.037 53.852 52.037 -0.370 0.000 0.631 194 A CB -1.302 17.491 19.000 -0.346 0.000 0.822 194 A HN 0.612 nan 8.150 nan 0.000 0.447 195 E N -0.774 119.379 120.200 -0.079 0.000 2.097 195 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 195 E C 2.024 178.624 176.600 0.000 0.000 1.000 195 E CA 1.598 57.980 56.400 -0.029 0.000 0.804 195 E CB -0.200 29.552 29.700 0.088 0.000 0.740 195 E HN 0.697 nan 8.360 nan 0.000 0.454 196 M N -0.299 119.338 119.600 0.061 0.000 2.296 196 M HA -0.127 4.353 4.480 -0.000 0.000 0.265 196 M C 2.084 178.398 176.300 0.023 0.000 1.064 196 M CA 0.687 56.043 55.300 0.094 0.000 1.109 196 M CB 0.233 32.961 32.600 0.212 0.000 1.396 196 M HN 0.081 nan 8.290 nan 0.000 0.430 197 V N -0.378 119.503 119.914 -0.056 0.000 2.331 197 V HA -0.135 3.985 4.120 -0.000 0.000 0.242 197 V C 2.250 178.276 176.094 -0.114 0.000 1.034 197 V CA 2.113 64.350 62.300 -0.105 0.000 1.027 197 V CB -0.643 31.039 31.823 -0.235 0.000 0.667 197 V HN 0.551 nan 8.190 nan 0.000 0.457 198 T N -2.355 112.111 114.554 -0.147 0.000 3.235 198 T HA 0.117 4.467 4.350 -0.000 0.000 0.251 198 T C 0.956 175.585 174.700 -0.118 0.000 1.060 198 T CA -0.285 61.727 62.100 -0.147 0.000 0.949 198 T CB -0.380 68.368 68.868 -0.199 0.000 1.020 198 T HN 0.352 nan 8.240 nan 0.000 0.564 199 R N -0.181 120.268 120.500 -0.085 0.000 3.679 199 R HA -0.176 4.164 4.340 -0.000 0.000 0.268 199 R C 0.079 176.336 176.300 -0.072 0.000 1.129 199 R CA 1.046 57.108 56.100 -0.065 0.000 0.747 199 R CB -1.551 28.709 30.300 -0.066 0.000 1.116 199 R HN 0.485 nan 8.270 nan 0.000 0.488 200 R N -0.537 119.901 120.500 -0.103 0.000 2.643 200 R HA 0.650 4.990 4.340 -0.000 0.000 0.269 200 R C -1.279 174.907 176.300 -0.190 0.000 1.037 200 R CA -0.324 55.693 56.100 -0.138 0.000 0.894 200 R CB 1.200 31.398 30.300 -0.171 0.000 1.238 200 R HN 0.109 nan 8.270 nan 0.000 0.459 201 A N 4.070 126.741 122.820 -0.249 0.000 2.546 201 A HA 0.120 4.440 4.320 -0.000 0.000 0.243 201 A C 1.073 178.377 177.584 -0.467 0.000 1.063 201 A CA 0.004 51.824 52.037 -0.361 0.000 0.757 201 A CB -0.059 18.498 19.000 -0.739 0.000 0.991 201 A HN 0.858 nan 8.150 nan 0.000 0.503 202 L N 1.326 122.278 121.223 -0.451 0.000 2.005 202 L HA 0.009 4.349 4.340 -0.000 0.000 0.207 202 L C 0.021 176.307 176.870 -0.974 0.000 1.072 202 L CA 1.290 55.693 54.840 -0.730 0.000 0.744 202 L CB -0.101 41.513 42.059 -0.741 0.000 0.895 202 L HN 0.761 nan 8.230 nan 0.000 0.433 203 F N -0.711 119.029 119.950 -0.350 0.000 2.564 203 F HA 0.329 4.856 4.527 -0.000 0.000 0.361 203 F C -2.164 173.299 175.800 -0.562 0.000 1.161 203 F CA -1.809 55.999 58.000 -0.320 0.000 1.198 203 F CB 0.453 39.388 39.000 -0.109 0.000 1.424 203 F HN -0.153 nan 8.300 nan 0.000 0.517 204 P HA 0.094 nan 4.420 nan 0.000 0.237 204 P C 0.962 178.065 177.300 -0.328 0.000 1.723 204 P CA 0.020 62.308 63.100 -1.352 0.000 0.882 204 P CB 0.096 31.137 31.700 -1.098 0.000 1.810 205 G N 0.762 109.561 108.800 -0.001 0.000 2.707 205 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.231 205 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.231 205 G C 0.440 175.480 174.900 0.234 0.000 1.246 205 G CA -0.083 45.096 45.100 0.132 0.000 0.852 205 G HN 0.193 nan 8.290 nan 0.000 0.584 206 D N -1.229 119.232 120.400 0.101 0.000 2.449 206 D HA 0.145 4.785 4.640 -0.000 0.000 0.210 206 D C 1.060 177.380 176.300 0.032 0.000 1.094 206 D CA 0.878 54.928 54.000 0.084 0.000 0.846 206 D CB 0.672 41.496 40.800 0.040 0.000 1.003 206 D HN 0.518 nan 8.370 nan 0.000 0.504 207 S N -0.953 114.749 115.700 0.003 0.000 2.615 207 S HA 0.265 4.735 4.470 -0.000 0.000 0.269 207 S C 0.691 175.261 174.600 -0.050 0.000 1.161 207 S CA -0.769 57.413 58.200 -0.031 0.000 0.817 207 S CB 2.315 65.477 63.200 -0.063 0.000 1.131 207 S HN -0.181 nan 8.310 nan 0.000 0.467 208 E N 0.163 120.330 120.200 -0.055 0.000 2.038 208 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 208 E C 1.778 178.293 176.600 -0.141 0.000 1.000 208 E CA 1.609 57.970 56.400 -0.065 0.000 0.803 208 E CB -0.373 29.301 29.700 -0.043 0.000 0.750 208 E HN 0.598 nan 8.360 nan 0.000 0.448 209 I N 2.056 122.508 120.570 -0.197 0.000 2.264 209 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 209 I C 1.895 177.709 176.117 -0.505 0.000 1.111 209 I CA 1.817 62.888 61.300 -0.383 0.000 1.382 209 I CB -0.241 37.520 38.000 -0.399 0.000 1.060 209 I HN -0.003 nan 8.210 nan 0.000 0.418 210 D N -0.696 119.516 120.400 -0.313 0.000 2.117 210 D HA -0.249 4.391 4.640 -0.000 0.000 0.198 210 D C 2.146 178.346 176.300 -0.166 0.000 0.982 210 D CA 1.172 55.028 54.000 -0.241 0.000 0.828 210 D CB -0.147 40.579 40.800 -0.124 0.000 0.967 210 D HN 0.413 nan 8.370 nan 0.000 0.464 211 Q N -0.032 119.699 119.800 -0.115 0.000 2.014 211 Q HA -0.158 4.182 4.340 -0.000 0.000 0.207 211 Q C 2.079 177.987 176.000 -0.154 0.000 0.993 211 Q CA 1.478 57.243 55.803 -0.063 0.000 0.850 211 Q CB -0.851 27.874 28.738 -0.022 0.000 0.916 211 Q HN 0.399 nan 8.270 nan 0.000 0.417 212 L N -0.446 120.629 121.223 -0.246 0.000 1.944 212 L HA -0.186 4.154 4.340 -0.000 0.000 0.218 212 L C 2.081 178.605 176.870 -0.577 0.000 1.075 212 L CA 2.027 56.610 54.840 -0.429 0.000 0.767 212 L CB -1.074 40.688 42.059 -0.495 0.000 0.890 212 L HN 0.326 nan 8.230 nan 0.000 0.434 213 F N 0.309 119.761 119.950 -0.831 0.000 2.184 213 F HA -0.230 4.297 4.527 -0.000 0.000 0.301 213 F C 2.668 178.140 175.800 -0.547 0.000 1.076 213 F CA 1.319 58.854 58.000 -0.775 0.000 1.295 213 F CB -0.976 37.682 39.000 -0.570 0.000 1.026 213 F HN 0.179 nan 8.300 nan 0.000 0.494 214 R N -0.005 120.418 120.500 -0.127 0.000 2.096 214 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 214 R C 2.304 178.712 176.300 0.180 0.000 1.127 214 R CA 1.499 57.597 56.100 -0.004 0.000 0.968 214 R CB -0.735 29.632 30.300 0.112 0.000 0.861 214 R HN 0.325 nan 8.270 nan 0.000 0.440 215 I N 0.175 120.788 120.570 0.071 0.000 2.202 215 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 215 I C 2.034 178.392 176.117 0.402 0.000 1.091 215 I CA 1.138 62.494 61.300 0.093 0.000 1.368 215 I CB -0.338 37.607 38.000 -0.091 0.000 1.058 215 I HN -0.025 nan 8.210 nan 0.000 0.410 216 F N 1.480 121.454 119.950 0.040 0.000 2.091 216 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 216 F C 2.717 178.462 175.800 -0.091 0.000 1.103 216 F CA 1.354 59.369 58.000 0.026 0.000 1.228 216 F CB -1.320 37.591 39.000 -0.148 0.000 0.984 216 F HN 0.007 nan 8.300 nan 0.000 0.477 217 R N -0.764 119.593 120.500 -0.239 0.000 2.105 217 R HA -0.135 4.205 4.340 -0.000 0.000 0.239 217 R C 2.021 178.296 176.300 -0.041 0.000 1.135 217 R CA 1.989 57.849 56.100 -0.400 0.000 0.967 217 R CB -0.728 29.239 30.300 -0.555 0.000 0.861 217 R HN 0.241 nan 8.270 nan 0.000 0.442 218 T N 0.238 114.835 114.554 0.072 0.000 3.031 218 T HA 0.135 4.485 4.350 -0.000 0.000 0.254 218 T C 1.513 176.300 174.700 0.145 0.000 1.060 218 T CA 0.615 62.759 62.100 0.073 0.000 1.135 218 T CB 0.271 69.158 68.868 0.031 0.000 0.896 218 T HN 0.103 nan 8.240 nan 0.000 0.472 219 L N 0.346 121.732 121.223 0.272 0.000 2.693 219 L HA 0.430 4.770 4.340 -0.000 0.000 0.235 219 L C 1.052 178.150 176.870 0.379 0.000 1.127 219 L CA -0.344 54.685 54.840 0.315 0.000 0.914 219 L CB -0.055 42.167 42.059 0.271 0.000 1.193 219 L HN 0.372 nan 8.230 nan 0.000 0.502 220 G N 0.433 109.429 108.800 0.326 0.000 2.719 220 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.686 220 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.686 220 G C -0.294 174.687 174.900 0.134 0.000 1.201 220 G CA -0.841 44.412 45.100 0.254 0.000 0.768 220 G HN -0.066 nan 8.290 nan 0.000 0.629 221 T N 4.973 119.512 114.554 -0.026 0.000 2.769 221 T HA 0.480 4.830 4.350 -0.000 0.000 0.293 221 T C -1.204 173.215 174.700 -0.468 0.000 0.931 221 T CA 0.071 61.903 62.100 -0.447 0.000 1.139 221 T CB 1.090 69.822 68.868 -0.225 0.000 0.881 221 T HN 0.659 nan 8.240 nan 0.000 0.532 222 P HA 0.179 nan 4.420 nan 0.000 0.267 222 P C -0.879 176.215 177.300 -0.344 0.000 1.200 222 P CA -0.240 62.479 63.100 -0.634 0.000 0.772 222 P CB 0.691 31.862 31.700 -0.883 0.000 0.855 223 D N -0.320 119.957 120.400 -0.205 0.000 2.614 223 D HA 0.216 4.856 4.640 -0.000 0.000 0.264 223 D C 0.709 176.930 176.300 -0.130 0.000 1.092 223 D CA -0.721 53.183 54.000 -0.160 0.000 1.071 223 D CB 0.224 40.972 40.800 -0.086 0.000 1.443 223 D HN 0.102 nan 8.370 nan 0.000 0.528 224 E N -0.685 119.436 120.200 -0.130 0.000 2.265 224 E HA -0.075 4.275 4.350 -0.000 0.000 0.196 224 E C 1.467 178.062 176.600 -0.007 0.000 0.996 224 E CA 0.731 57.076 56.400 -0.092 0.000 0.832 224 E CB -0.125 29.520 29.700 -0.093 0.000 0.756 224 E HN 0.377 nan 8.360 nan 0.000 0.491 225 V N -0.930 118.986 119.914 0.004 0.000 2.331 225 V HA -0.121 3.999 4.120 -0.000 0.000 0.242 225 V C 2.085 178.224 176.094 0.075 0.000 1.034 225 V CA 1.428 63.749 62.300 0.035 0.000 1.027 225 V CB 0.040 31.878 31.823 0.025 0.000 0.667 225 V HN 0.256 nan 8.190 nan 0.000 0.457 226 V N -1.173 118.787 119.914 0.077 0.000 3.041 226 V HA -0.033 4.087 4.120 -0.000 0.000 0.260 226 V C 0.373 176.591 176.094 0.207 0.000 1.105 226 V CA 0.973 63.341 62.300 0.113 0.000 1.125 226 V CB 0.189 32.061 31.823 0.081 0.000 0.730 226 V HN 0.721 nan 8.190 nan 0.000 0.479 227 W N 1.987 123.257 121.300 -0.049 0.000 2.183 227 W HA 0.463 5.123 4.660 -0.000 0.000 0.289 227 W C -3.253 173.231 176.519 -0.058 0.000 1.029 227 W CA -3.109 54.215 57.345 -0.035 0.000 1.264 227 W CB 0.418 29.825 29.460 -0.088 0.000 1.232 227 W HN 0.122 nan 8.180 nan 0.000 0.311 228 P HA 0.184 nan 4.420 nan 0.000 0.260 228 P C 0.929 178.306 177.300 0.130 0.000 1.172 228 P CA 2.973 66.164 63.100 0.152 0.000 0.760 228 P CB 0.608 32.388 31.700 0.133 0.000 0.773 229 G N 2.128 110.899 108.800 -0.048 0.000 2.217 229 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.246 229 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.246 229 G C 1.098 175.788 174.900 -0.350 0.000 0.990 229 G CA 0.150 45.177 45.100 -0.122 0.000 0.627 229 G HN 0.499 nan 8.290 nan 0.000 0.522 230 V N 1.003 120.520 119.914 -0.661 0.000 2.453 230 V HA -0.150 3.970 4.120 -0.000 0.000 0.252 230 V C 2.760 178.230 176.094 -1.040 0.000 1.068 230 V CA 3.485 65.100 62.300 -1.141 0.000 1.070 230 V CB -0.502 30.392 31.823 -1.548 0.000 0.664 230 V HN 0.537 nan 8.190 nan 0.000 0.461 231 T N -0.599 113.408 114.554 -0.912 0.000 2.915 231 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 231 T C 1.878 176.311 174.700 -0.447 0.000 1.071 231 T CA 1.687 63.196 62.100 -0.986 0.000 1.132 231 T CB -0.129 68.438 68.868 -0.502 0.000 0.878 231 T HN 0.596 nan 8.240 nan 0.000 0.479 232 S N 0.634 116.149 115.700 -0.308 0.000 2.501 232 S HA 0.276 4.746 4.470 -0.000 0.000 0.220 232 S C 0.822 175.352 174.600 -0.116 0.000 0.997 232 S CA 0.004 58.115 58.200 -0.148 0.000 0.919 232 S CB -0.159 62.977 63.200 -0.108 0.000 0.778 232 S HN 0.468 nan 8.310 nan 0.000 0.523 233 M N 1.953 121.444 119.600 -0.183 0.000 2.246 233 M HA 0.022 4.502 4.480 -0.000 0.000 0.327 233 M C -1.520 174.769 176.300 -0.018 0.000 1.090 233 M CA -1.023 54.214 55.300 -0.105 0.000 1.087 233 M CB -0.249 32.249 32.600 -0.171 0.000 1.587 233 M HN -0.063 nan 8.290 nan 0.000 0.444 234 P HA -0.206 nan 4.420 nan 0.000 0.209 234 P C 0.164 177.477 177.300 0.021 0.000 1.167 234 P CA 1.480 64.579 63.100 -0.002 0.000 0.941 234 P CB 0.068 31.758 31.700 -0.017 0.000 0.787 235 D N -2.307 118.120 120.400 0.045 0.000 2.413 235 D HA 0.004 4.644 4.640 -0.000 0.000 0.237 235 D C 0.193 176.569 176.300 0.126 0.000 1.171 235 D CA 0.075 54.117 54.000 0.069 0.000 0.839 235 D CB -0.841 40.005 40.800 0.076 0.000 0.950 235 D HN 0.277 nan 8.370 nan 0.000 0.499 236 Y N 1.378 121.643 120.300 -0.059 0.000 2.301 236 Y HA 0.317 4.867 4.550 -0.000 0.000 0.325 236 Y C -0.224 175.406 175.900 -0.450 0.000 1.203 236 Y CA -0.440 57.554 58.100 -0.177 0.000 1.255 236 Y CB 0.853 39.195 38.460 -0.196 0.000 1.232 236 Y HN -0.356 nan 8.280 nan 0.000 0.501 237 K N 6.547 125.732 120.400 -2.024 0.000 2.443 237 K HA 0.287 4.607 4.320 -0.000 0.000 0.252 237 K C -2.394 173.219 176.600 -1.646 0.000 0.933 237 K CA -1.931 53.472 56.287 -1.473 0.000 0.792 237 K CB 2.230 34.176 32.500 -0.924 0.000 1.185 237 K HN 0.367 nan 8.250 nan 0.000 0.425 238 P HA -0.145 nan 4.420 nan 0.000 0.225 238 P C 0.277 177.407 177.300 -0.282 0.000 1.148 238 P CA 0.917 63.780 63.100 -0.395 0.000 0.779 238 P CB 0.215 31.825 31.700 -0.150 0.000 0.780 239 S N -1.377 114.147 115.700 -0.292 0.000 2.699 239 S HA 0.190 4.660 4.470 -0.000 0.000 0.251 239 S C -0.021 174.656 174.600 0.129 0.000 1.179 239 S CA -0.513 57.642 58.200 -0.075 0.000 1.200 239 S CB -1.195 61.985 63.200 -0.033 0.000 0.848 239 S HN -0.182 nan 8.310 nan 0.000 0.472 240 F N 2.687 122.577 119.950 -0.099 0.000 2.410 240 F HA 0.514 5.041 4.527 -0.000 0.000 0.349 240 F C -2.357 173.369 175.800 -0.124 0.000 1.117 240 F CA -3.360 54.619 58.000 -0.036 0.000 1.104 240 F CB 0.621 39.628 39.000 0.011 0.000 1.122 240 F HN 0.087 nan 8.300 nan 0.000 0.483 241 P HA -0.009 nan 4.420 nan 0.000 0.264 241 P C -0.514 176.552 177.300 -0.390 0.000 1.193 241 P CA -0.064 62.749 63.100 -0.477 0.000 0.763 241 P CB 0.393 31.380 31.700 -1.188 0.000 0.810 242 K N 3.855 124.070 120.400 -0.309 0.000 2.220 242 K HA 0.140 4.460 4.320 -0.000 0.000 0.283 242 K C -0.124 176.365 176.600 -0.185 0.000 1.098 242 K CA 0.188 56.381 56.287 -0.157 0.000 0.928 242 K CB 0.152 32.588 32.500 -0.106 0.000 1.214 242 K HN 0.524 nan 8.250 nan 0.000 0.442 243 W N 0.770 122.039 121.300 -0.052 0.000 2.375 243 W HA 0.387 5.047 4.660 -0.000 0.000 0.336 243 W C 0.335 176.856 176.519 0.003 0.000 1.160 243 W CA -0.870 56.469 57.345 -0.011 0.000 1.266 243 W CB 1.460 30.933 29.460 0.022 0.000 1.195 243 W HN 0.390 nan 8.180 nan 0.000 0.599 244 A N 3.159 126.139 122.820 0.267 0.000 2.303 244 A HA 0.499 4.819 4.320 -0.000 0.000 0.317 244 A C 0.082 177.781 177.584 0.192 0.000 1.149 244 A CA -0.731 51.409 52.037 0.173 0.000 0.822 244 A CB 0.759 19.830 19.000 0.118 0.000 1.131 244 A HN 0.689 nan 8.150 nan 0.000 0.493 245 R N 1.355 121.956 120.500 0.168 0.000 2.679 245 R HA 0.144 4.484 4.340 -0.000 0.000 0.268 245 R C -0.042 176.349 176.300 0.151 0.000 1.044 245 R CA 0.234 56.443 56.100 0.183 0.000 1.105 245 R CB 0.342 30.757 30.300 0.191 0.000 0.989 245 R HN 0.881 nan 8.270 nan 0.000 0.447 246 Q N 1.003 120.886 119.800 0.137 0.000 2.173 246 Q HA 0.119 4.459 4.340 -0.000 0.000 0.186 246 Q C -0.933 175.144 176.000 0.129 0.000 1.018 246 Q CA -0.631 55.227 55.803 0.092 0.000 1.064 246 Q CB 0.683 29.433 28.738 0.020 0.000 1.130 246 Q HN 0.527 nan 8.270 nan 0.000 0.553 247 D N -0.561 119.892 120.400 0.088 0.000 2.349 247 D HA 0.155 4.795 4.640 -0.000 0.000 0.232 247 D C -0.186 176.189 176.300 0.124 0.000 1.071 247 D CA -0.366 53.715 54.000 0.135 0.000 0.832 247 D CB 0.499 41.349 40.800 0.082 0.000 1.086 247 D HN 0.303 nan 8.370 nan 0.000 0.504 248 F N 1.747 121.680 119.950 -0.029 0.000 2.346 248 F HA -0.183 4.344 4.527 -0.000 0.000 0.301 248 F C 2.432 178.191 175.800 -0.068 0.000 1.070 248 F CA 0.816 58.780 58.000 -0.060 0.000 1.407 248 F CB -0.341 38.622 39.000 -0.062 0.000 1.072 248 F HN 0.346 nan 8.300 nan 0.000 0.543 249 S N -0.436 115.327 115.700 0.106 0.000 2.399 249 S HA -0.175 4.295 4.470 -0.000 0.000 0.231 249 S C 1.920 176.507 174.600 -0.021 0.000 1.022 249 S CA 1.187 59.409 58.200 0.037 0.000 0.983 249 S CB -0.148 63.074 63.200 0.036 0.000 0.803 249 S HN 0.444 nan 8.310 nan 0.000 0.480 250 K N 0.714 121.090 120.400 -0.040 0.000 2.067 250 K HA 0.083 4.403 4.320 -0.000 0.000 0.203 250 K C 2.109 178.618 176.600 -0.151 0.000 1.048 250 K CA 0.871 57.110 56.287 -0.080 0.000 0.954 250 K CB -0.370 32.092 32.500 -0.063 0.000 0.737 250 K HN 0.151 nan 8.250 nan 0.000 0.444 251 V N 1.812 121.588 119.914 -0.230 0.000 2.255 251 V HA -0.139 3.981 4.120 -0.000 0.000 0.247 251 V C 1.299 177.195 176.094 -0.330 0.000 1.051 251 V CA 1.299 63.379 62.300 -0.367 0.000 1.018 251 V CB -0.531 30.893 31.823 -0.666 0.000 0.641 251 V HN 0.209 nan 8.190 nan 0.000 0.445 252 V N -3.346 116.404 119.914 -0.273 0.000 2.320 252 V HA 0.442 4.562 4.120 -0.000 0.000 0.268 252 V C -2.152 173.867 176.094 -0.125 0.000 1.021 252 V CA -1.595 60.573 62.300 -0.221 0.000 0.813 252 V CB 0.888 32.550 31.823 -0.268 0.000 1.054 252 V HN 0.146 nan 8.190 nan 0.000 0.444 253 P HA 0.054 nan 4.420 nan 0.000 0.214 253 P C -1.282 175.988 177.300 -0.049 0.000 1.162 253 P CA 1.648 64.709 63.100 -0.065 0.000 0.879 253 P CB -0.794 30.866 31.700 -0.067 0.000 0.786 254 P HA -0.096 nan 4.420 nan 0.000 0.221 254 P C 0.208 177.501 177.300 -0.012 0.000 1.145 254 P CA 0.849 63.927 63.100 -0.036 0.000 0.795 254 P CB -0.255 31.417 31.700 -0.046 0.000 0.775 255 L N 0.676 121.878 121.223 -0.035 0.000 2.410 255 L HA 0.047 4.387 4.340 -0.000 0.000 0.273 255 L C 1.061 177.959 176.870 0.048 0.000 1.152 255 L CA -0.547 54.294 54.840 0.001 0.000 0.855 255 L CB 0.281 42.287 42.059 -0.088 0.000 1.129 255 L HN 0.056 nan 8.230 nan 0.000 0.463 256 D N 1.398 121.866 120.400 0.114 0.000 2.348 256 D HA -0.041 4.599 4.640 -0.000 0.000 0.272 256 D C 0.914 177.278 176.300 0.106 0.000 1.237 256 D CA -0.377 53.686 54.000 0.106 0.000 1.042 256 D CB 0.426 41.301 40.800 0.125 0.000 1.117 256 D HN 0.463 nan 8.370 nan 0.000 0.548 257 E N -0.197 120.063 120.200 0.101 0.000 2.000 257 E HA -0.221 4.129 4.350 -0.000 0.000 0.199 257 E C 1.527 178.202 176.600 0.124 0.000 1.011 257 E CA 1.945 58.399 56.400 0.089 0.000 0.836 257 E CB -0.615 29.129 29.700 0.073 0.000 0.778 257 E HN 0.447 nan 8.360 nan 0.000 0.462 258 D N -0.222 120.300 120.400 0.204 0.000 2.126 258 D HA -0.201 4.439 4.640 -0.000 0.000 0.190 258 D C 1.903 178.319 176.300 0.194 0.000 1.001 258 D CA 1.599 55.794 54.000 0.325 0.000 0.841 258 D CB -0.960 40.120 40.800 0.467 0.000 0.949 258 D HN 0.429 nan 8.370 nan 0.000 0.446 259 G N 1.484 110.380 108.800 0.160 0.000 2.719 259 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.219 259 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.219 259 G C 1.618 176.401 174.900 -0.196 0.000 1.234 259 G CA 1.373 46.243 45.100 -0.383 0.000 0.788 259 G HN 0.267 nan 8.290 nan 0.000 0.619 260 R N 0.053 120.517 120.500 -0.060 0.000 2.133 260 R HA -0.125 4.215 4.340 -0.000 0.000 0.247 260 R C 2.923 179.122 176.300 -0.169 0.000 1.151 260 R CA 1.519 57.605 56.100 -0.024 0.000 0.971 260 R CB -0.650 29.673 30.300 0.038 0.000 0.866 260 R HN 0.448 nan 8.270 nan 0.000 0.447 261 S N 0.927 116.566 115.700 -0.101 0.000 2.348 261 S HA -0.136 4.334 4.470 -0.000 0.000 0.221 261 S C 1.902 176.424 174.600 -0.130 0.000 1.033 261 S CA 1.195 59.356 58.200 -0.064 0.000 1.010 261 S CB -0.206 63.084 63.200 0.150 0.000 0.891 261 S HN 0.253 nan 8.310 nan 0.000 0.442 262 L N 1.789 122.789 121.223 -0.372 0.000 1.955 262 L HA -0.004 4.336 4.340 -0.000 0.000 0.213 262 L C 2.233 178.986 176.870 -0.196 0.000 1.072 262 L CA 2.190 56.672 54.840 -0.597 0.000 0.755 262 L CB -1.262 40.251 42.059 -0.911 0.000 0.888 262 L HN 0.449 nan 8.230 nan 0.000 0.432 263 L N -0.556 120.647 121.223 -0.033 0.000 2.103 263 L HA -0.270 4.070 4.340 -0.000 0.000 0.215 263 L C 2.678 179.591 176.870 0.071 0.000 1.080 263 L CA 2.244 57.164 54.840 0.134 0.000 0.764 263 L CB -1.157 40.975 42.059 0.122 0.000 0.890 263 L HN 0.599 nan 8.230 nan 0.000 0.435 264 S N -1.444 114.193 115.700 -0.105 0.000 2.368 264 S HA -0.225 4.245 4.470 -0.000 0.000 0.224 264 S C 1.922 176.504 174.600 -0.030 0.000 1.029 264 S CA 1.510 59.572 58.200 -0.230 0.000 0.988 264 S CB -0.189 62.687 63.200 -0.539 0.000 0.838 264 S HN 0.720 nan 8.310 nan 0.000 0.462 265 Q N -0.060 119.728 119.800 -0.021 0.000 2.119 265 Q HA 0.024 4.364 4.340 -0.000 0.000 0.201 265 Q C 2.284 178.320 176.000 0.061 0.000 0.972 265 Q CA 1.396 57.219 55.803 0.034 0.000 0.847 265 Q CB -0.217 28.528 28.738 0.012 0.000 0.903 265 Q HN 0.588 nan 8.270 nan 0.000 0.433 266 M N 0.056 119.673 119.600 0.029 0.000 2.279 266 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 266 M C 1.191 177.500 176.300 0.014 0.000 1.062 266 M CA 1.153 56.474 55.300 0.034 0.000 1.099 266 M CB 0.123 32.733 32.600 0.017 0.000 1.394 266 M HN 0.166 nan 8.290 nan 0.000 0.426 267 L N -1.330 119.876 121.223 -0.028 0.000 2.872 267 L HA 0.172 4.512 4.340 -0.000 0.000 0.245 267 L C 0.310 177.235 176.870 0.091 0.000 1.211 267 L CA -0.541 54.202 54.840 -0.162 0.000 1.013 267 L CB -0.694 41.180 42.059 -0.308 0.000 1.326 267 L HN 0.142 nan 8.230 nan 0.000 0.525 268 H N -1.134 117.963 119.070 0.046 0.000 2.948 268 H HA -0.061 4.495 4.556 -0.000 0.000 0.351 268 H C 0.698 176.014 175.328 -0.021 0.000 1.079 268 H CA 0.918 56.975 56.048 0.016 0.000 1.407 268 H CB 0.592 30.358 29.762 0.005 0.000 1.373 268 H HN 0.036 nan 8.280 nan 0.000 0.605 269 Y N 0.935 121.019 120.300 -0.359 0.000 2.109 269 Y HA -0.160 4.390 4.550 -0.000 0.000 0.281 269 Y C 1.207 176.484 175.900 -1.039 0.000 1.113 269 Y CA 1.325 59.150 58.100 -0.458 0.000 1.098 269 Y CB -0.064 38.279 38.460 -0.194 0.000 0.996 269 Y HN 0.670 nan 8.280 nan 0.000 0.485 270 D N 1.901 121.828 120.400 -0.789 0.000 2.426 270 D HA -0.042 4.598 4.640 -0.000 0.000 0.261 270 D C -1.792 174.294 176.300 -0.357 0.000 1.245 270 D CA -1.484 51.975 54.000 -0.902 0.000 0.917 270 D CB 0.780 41.396 40.800 -0.307 0.000 1.123 270 D HN 0.098 nan 8.370 nan 0.000 0.508 271 P HA -0.111 nan 4.420 nan 0.000 0.236 271 P C 0.385 177.661 177.300 -0.040 0.000 1.172 271 P CA 0.447 63.478 63.100 -0.115 0.000 0.759 271 P CB 0.387 32.044 31.700 -0.072 0.000 0.843 272 N N -0.038 118.637 118.700 -0.042 0.000 2.412 272 N HA 0.003 4.743 4.740 -0.000 0.000 0.184 272 N C 1.143 176.644 175.510 -0.015 0.000 1.101 272 N CA 0.611 53.656 53.050 -0.008 0.000 0.881 272 N CB 0.183 38.678 38.487 0.014 0.000 0.969 272 N HN 0.163 nan 8.380 nan 0.000 0.459 273 K N 0.054 120.438 120.400 -0.026 0.000 2.438 273 K HA 0.136 4.456 4.320 -0.000 0.000 0.206 273 K C 0.266 176.766 176.600 -0.168 0.000 1.081 273 K CA -0.235 55.981 56.287 -0.119 0.000 1.053 273 K CB 1.257 33.635 32.500 -0.203 0.000 0.908 273 K HN 0.026 nan 8.250 nan 0.000 0.556 274 R N 2.315 122.805 120.500 -0.016 0.000 2.351 274 R HA 0.148 4.488 4.340 -0.000 0.000 0.318 274 R C 0.198 176.513 176.300 0.025 0.000 1.055 274 R CA -0.105 56.026 56.100 0.051 0.000 0.968 274 R CB -0.079 30.292 30.300 0.118 0.000 0.974 274 R HN 0.112 nan 8.270 nan 0.000 0.439 275 I N 4.343 124.919 120.570 0.011 0.000 3.076 275 I HA -0.192 3.978 4.170 -0.000 0.000 0.321 275 I C 0.335 176.488 176.117 0.061 0.000 1.216 275 I CA 0.819 62.137 61.300 0.030 0.000 1.460 275 I CB 0.509 38.536 38.000 0.046 0.000 1.313 275 I HN 0.851 nan 8.210 nan 0.000 0.546 276 S N 5.983 121.722 115.700 0.066 0.000 2.614 276 S HA 0.399 4.869 4.470 -0.000 0.000 0.265 276 S C 1.106 175.755 174.600 0.081 0.000 1.303 276 S CA -0.241 58.015 58.200 0.092 0.000 1.000 276 S CB 1.687 64.943 63.200 0.094 0.000 0.935 276 S HN 0.813 nan 8.310 nan 0.000 0.551 277 A N 1.492 124.366 122.820 0.088 0.000 1.908 277 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 277 A C 2.188 179.764 177.584 -0.014 0.000 1.181 277 A CA 1.849 53.887 52.037 0.002 0.000 0.627 277 A CB -0.995 17.953 19.000 -0.087 0.000 0.818 277 A HN 0.952 nan 8.150 nan 0.000 0.445 278 K N -0.449 119.964 120.400 0.022 0.000 2.009 278 K HA -0.130 4.190 4.320 -0.000 0.000 0.210 278 K C 2.206 178.827 176.600 0.034 0.000 1.049 278 K CA 1.360 57.657 56.287 0.018 0.000 0.929 278 K CB -0.352 32.178 32.500 0.049 0.000 0.714 278 K HN 0.379 nan 8.250 nan 0.000 0.440 279 A N 0.924 123.780 122.820 0.060 0.000 1.902 279 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 279 A C 2.304 179.965 177.584 0.128 0.000 1.181 279 A CA 1.879 53.966 52.037 0.084 0.000 0.623 279 A CB -0.833 18.214 19.000 0.077 0.000 0.818 279 A HN 0.492 nan 8.150 nan 0.000 0.443 280 A N -0.345 122.546 122.820 0.117 0.000 1.978 280 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 280 A C 2.110 179.846 177.584 0.253 0.000 1.170 280 A CA 1.508 53.654 52.037 0.183 0.000 0.636 280 A CB -0.587 18.476 19.000 0.106 0.000 0.810 280 A HN 0.495 nan 8.150 nan 0.000 0.448 281 L N -1.208 120.058 121.223 0.072 0.000 2.141 281 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 281 L C 2.553 179.555 176.870 0.219 0.000 1.094 281 L CA 0.928 55.753 54.840 -0.025 0.000 0.763 281 L CB -0.259 41.693 42.059 -0.179 0.000 0.908 281 L HN 0.425 nan 8.230 nan 0.000 0.437 282 A N -2.234 120.715 122.820 0.214 0.000 2.370 282 A HA -0.019 4.301 4.320 -0.000 0.000 0.238 282 A C 0.610 178.347 177.584 0.255 0.000 1.289 282 A CA -0.197 51.967 52.037 0.211 0.000 0.885 282 A CB -0.700 18.376 19.000 0.127 0.000 0.961 282 A HN 0.281 nan 8.150 nan 0.000 0.499 283 H N 0.564 119.814 119.070 0.300 0.000 2.610 283 H HA 0.177 4.733 4.556 -0.000 0.000 0.336 283 H C -1.808 173.671 175.328 0.252 0.000 1.087 283 H CA -1.558 54.643 56.048 0.256 0.000 1.405 283 H CB 1.374 31.294 29.762 0.264 0.000 1.460 283 H HN 0.006 nan 8.280 nan 0.000 0.538 284 P HA -0.255 nan 4.420 nan 0.000 0.220 284 P C 1.426 178.824 177.300 0.163 0.000 1.155 284 P CA 1.377 64.478 63.100 0.001 0.000 0.880 284 P CB -0.234 31.381 31.700 -0.141 0.000 0.790 285 F N -1.064 119.008 119.950 0.204 0.000 2.176 285 F HA -0.214 4.313 4.527 -0.000 0.000 0.301 285 F C 1.463 177.104 175.800 -0.264 0.000 1.071 285 F CA 1.511 59.468 58.000 -0.072 0.000 1.289 285 F CB -0.645 38.191 39.000 -0.273 0.000 1.028 285 F HN -0.156 nan 8.300 nan 0.000 0.494 286 F N -0.105 119.926 119.950 0.134 0.000 2.693 286 F HA 0.120 4.647 4.527 -0.000 0.000 0.303 286 F C 1.991 177.702 175.800 -0.148 0.000 1.097 286 F CA -0.001 57.964 58.000 -0.057 0.000 1.330 286 F CB -0.728 38.377 39.000 0.175 0.000 1.067 286 F HN 0.007 nan 8.300 nan 0.000 0.565 287 Q N 0.453 120.273 119.800 0.033 0.000 2.170 287 Q HA -0.172 4.168 4.340 -0.000 0.000 0.203 287 Q C 1.396 177.352 176.000 -0.073 0.000 0.976 287 Q CA 1.646 57.445 55.803 -0.007 0.000 0.858 287 Q CB -0.226 28.509 28.738 -0.005 0.000 0.907 287 Q HN 0.550 nan 8.270 nan 0.000 0.433 288 D N -0.082 120.242 120.400 -0.126 0.000 2.339 288 D HA -0.010 4.630 4.640 -0.000 0.000 0.217 288 D C 0.791 176.990 176.300 -0.168 0.000 1.050 288 D CA -0.109 53.809 54.000 -0.136 0.000 0.856 288 D CB -0.085 40.628 40.800 -0.145 0.000 0.922 288 D HN -0.063 nan 8.370 nan 0.000 0.518 289 V N 2.061 121.846 119.914 -0.215 0.000 2.832 289 V HA 0.021 4.141 4.120 -0.000 0.000 0.299 289 V C 0.383 176.346 176.094 -0.218 0.000 1.201 289 V CA 1.429 63.570 62.300 -0.265 0.000 1.325 289 V CB 0.255 31.752 31.823 -0.545 0.000 0.871 289 V HN 0.623 nan 8.190 nan 0.000 0.509 290 T N 3.451 117.913 114.554 -0.153 0.000 2.804 290 T HA 0.490 4.840 4.350 -0.000 0.000 0.290 290 T C -0.597 174.073 174.700 -0.050 0.000 1.099 290 T CA -0.823 61.221 62.100 -0.094 0.000 1.011 290 T CB 1.678 70.504 68.868 -0.069 0.000 1.291 290 T HN 0.734 nan 8.240 nan 0.000 0.523 291 K N 1.769 122.158 120.400 -0.018 0.000 2.562 291 K HA 0.440 4.760 4.320 -0.000 0.000 0.206 291 K C -2.660 173.949 176.600 0.015 0.000 1.033 291 K CA -1.742 54.558 56.287 0.020 0.000 1.029 291 K CB 0.310 32.833 32.500 0.038 0.000 1.393 291 K HN 0.388 nan 8.250 nan 0.000 0.539 292 P HA 0.016 nan 4.420 nan 0.000 0.271 292 P C -1.013 176.293 177.300 0.011 0.000 1.218 292 P CA -0.481 62.616 63.100 -0.006 0.000 0.780 292 P CB 1.066 32.747 31.700 -0.032 0.000 0.901 293 V N 5.298 125.224 119.914 0.019 0.000 2.257 293 V HA 0.235 4.355 4.120 -0.000 0.000 0.269 293 V C -1.352 174.769 176.094 0.044 0.000 1.040 293 V CA -1.225 61.093 62.300 0.030 0.000 0.813 293 V CB 0.371 32.209 31.823 0.024 0.000 1.065 293 V HN 0.666 nan 8.190 nan 0.000 0.457 294 P HA 0.208 nan 4.420 nan 0.000 0.277 294 P C -0.809 176.577 177.300 0.144 0.000 1.276 294 P CA -0.345 62.831 63.100 0.126 0.000 0.788 294 P CB 0.930 32.737 31.700 0.177 0.000 1.114 295 H N 0.416 119.558 119.070 0.120 0.000 2.481 295 H HA 0.372 4.928 4.556 -0.000 0.000 0.333 295 H C -0.650 174.774 175.328 0.160 0.000 1.066 295 H CA -0.605 55.499 56.048 0.094 0.000 1.209 295 H CB 0.536 30.341 29.762 0.071 0.000 1.445 295 H HN 0.227 nan 8.280 nan 0.000 0.488 296 L N 4.689 125.965 121.223 0.087 0.000 2.350 296 L HA 0.315 4.655 4.340 -0.000 0.000 0.275 296 L C 2.080 179.121 176.870 0.285 0.000 1.099 296 L CA -0.301 54.660 54.840 0.201 0.000 0.808 296 L CB 0.830 42.904 42.059 0.025 0.000 1.149 296 L HN 0.760 nan 8.230 nan 0.000 0.442 297 R N 2.737 123.411 120.500 0.290 0.000 2.205 297 R HA -0.159 4.181 4.340 -0.000 0.000 0.221 297 R C 0.914 177.317 176.300 0.172 0.000 1.101 297 R CA 1.932 58.162 56.100 0.216 0.000 0.869 297 R CB -1.046 29.353 30.300 0.166 0.000 0.815 297 R HN 0.550 nan 8.270 nan 0.000 0.434 298 L N 0.000 121.302 121.223 0.132 0.000 2.949 298 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 298 L CA 0.000 54.903 54.840 0.105 0.000 0.813 298 L CB 0.000 42.120 42.059 0.102 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502