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 1fin_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 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 0.000 176.333 176.300 0.055 0.000 1.140 1 M CA 0.000 55.307 55.300 0.011 0.000 0.988 1 M CB 0.000 32.450 32.600 -0.251 0.000 1.302 2 E N 0.081 120.278 120.200 -0.005 0.000 2.338 2 E HA 0.073 4.423 4.350 -0.000 0.000 0.197 2 E C 0.813 177.357 176.600 -0.093 0.000 1.007 2 E CA 1.000 57.378 56.400 -0.038 0.000 0.849 2 E CB -0.364 29.312 29.700 -0.040 0.000 0.774 2 E HN 0.416 nan 8.360 nan 0.000 0.506 3 N N -0.028 118.558 118.700 -0.190 0.000 2.314 3 N HA 0.081 4.821 4.740 -0.000 0.000 0.200 3 N C -0.965 174.193 175.510 -0.585 0.000 1.135 3 N CA 0.193 53.017 53.050 -0.378 0.000 0.835 3 N CB 0.169 38.368 38.487 -0.480 0.000 0.989 3 N HN 0.074 nan 8.380 nan 0.000 0.478 4 F N 0.366 120.251 119.950 -0.108 0.000 2.482 4 F HA 0.340 4.867 4.527 -0.000 0.000 0.331 4 F C 0.483 176.216 175.800 -0.112 0.000 1.115 4 F CA -1.099 56.833 58.000 -0.114 0.000 0.955 4 F CB 1.652 40.562 39.000 -0.150 0.000 1.136 4 F HN -0.254 nan 8.300 nan 0.000 0.452 5 Q N 4.059 123.912 119.800 0.088 0.000 2.347 5 Q HA 0.232 4.572 4.340 -0.000 0.000 0.262 5 Q C -0.679 175.330 176.000 0.015 0.000 0.980 5 Q CA -0.616 55.198 55.803 0.017 0.000 0.867 5 Q CB 1.186 29.919 28.738 -0.009 0.000 1.242 5 Q HN 0.527 nan 8.270 nan 0.000 0.453 6 K N 3.757 124.135 120.400 -0.037 0.000 2.349 6 K HA 0.163 4.483 4.320 -0.000 0.000 0.288 6 K C -0.268 176.324 176.600 -0.014 0.000 1.058 6 K CA -0.120 56.124 56.287 -0.072 0.000 0.953 6 K CB 0.652 33.029 32.500 -0.206 0.000 0.997 6 K HN 0.623 nan 8.250 nan 0.000 0.477 7 V N 3.662 123.588 119.914 0.020 0.000 2.436 7 V HA -0.012 4.108 4.120 -0.000 0.000 0.240 7 V C 0.191 176.322 176.094 0.061 0.000 1.040 7 V CA 1.126 63.440 62.300 0.024 0.000 1.052 7 V CB -0.268 31.552 31.823 -0.005 0.000 0.707 7 V HN 0.994 nan 8.190 nan 0.000 0.469 8 E N -0.641 119.628 120.200 0.116 0.000 2.431 8 E HA 0.232 4.582 4.350 -0.000 0.000 0.287 8 E C -1.120 175.598 176.600 0.197 0.000 1.032 8 E CA -0.761 55.724 56.400 0.142 0.000 0.839 8 E CB 1.122 30.877 29.700 0.092 0.000 1.218 8 E HN 0.059 nan 8.360 nan 0.000 0.424 9 K N 2.840 123.346 120.400 0.177 0.000 2.448 9 K HA 0.128 4.448 4.320 -0.000 0.000 0.278 9 K C 0.798 177.416 176.600 0.029 0.000 1.009 9 K CA 0.432 56.750 56.287 0.051 0.000 0.995 9 K CB 0.360 32.846 32.500 -0.025 0.000 0.917 9 K HN 0.601 nan 8.250 nan 0.000 0.481 10 I N -0.283 120.283 120.570 -0.007 0.000 4.225 10 I HA 0.395 4.565 4.170 -0.000 0.000 0.327 10 I C 0.265 176.353 176.117 -0.048 0.000 1.422 10 I CA -0.487 60.822 61.300 0.014 0.000 1.150 10 I CB 0.942 38.992 38.000 0.085 0.000 1.192 10 I HN 0.622 nan 8.210 nan 0.000 0.440 11 G N 1.048 109.786 108.800 -0.104 0.000 2.325 11 G HA2 0.356 4.316 3.960 -0.000 0.000 0.297 11 G HA3 0.356 4.316 3.960 -0.000 0.000 0.297 11 G C -2.234 172.564 174.900 -0.169 0.000 1.448 11 G CA -0.495 44.530 45.100 -0.124 0.000 0.838 11 G HN 0.161 nan 8.290 nan 0.000 0.579 12 E N -1.317 118.795 120.200 -0.146 0.000 2.355 12 E HA 0.858 5.208 4.350 -0.000 0.000 0.261 12 E C 0.204 176.705 176.600 -0.165 0.000 0.943 12 E CA 0.190 56.500 56.400 -0.149 0.000 0.806 12 E CB 2.023 31.656 29.700 -0.113 0.000 1.286 12 E HN 1.402 nan 8.360 nan 0.000 0.424 13 G N -0.834 107.862 108.800 -0.174 0.000 2.623 13 G HA2 0.258 4.218 3.960 -0.000 0.000 0.290 13 G HA3 0.258 4.218 3.960 -0.000 0.000 0.290 13 G C 0.044 174.835 174.900 -0.181 0.000 1.437 13 G CA 0.093 45.054 45.100 -0.231 0.000 0.798 13 G HN 0.435 nan 8.290 nan 0.000 0.488 14 T N -1.117 113.327 114.554 -0.184 0.000 2.867 14 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 14 T C 1.572 176.277 174.700 0.009 0.000 1.057 14 T CA 2.602 64.660 62.100 -0.070 0.000 1.136 14 T CB -0.294 68.557 68.868 -0.028 0.000 0.874 14 T HN 0.738 nan 8.240 nan 0.000 0.466 15 Y N -0.806 119.486 120.300 -0.013 0.000 2.500 15 Y HA 0.691 5.241 4.550 -0.000 0.000 0.246 15 Y C 0.321 176.212 175.900 -0.015 0.000 1.146 15 Y CA -0.828 57.266 58.100 -0.010 0.000 1.230 15 Y CB -0.007 38.450 38.460 -0.004 0.000 1.214 15 Y HN 0.144 nan 8.280 nan 0.000 0.526 16 G N -0.207 108.518 108.800 -0.126 0.000 2.606 16 G HA2 0.573 4.533 3.960 -0.000 0.000 0.300 16 G HA3 0.573 4.533 3.960 -0.000 0.000 0.300 16 G C -2.168 172.657 174.900 -0.125 0.000 1.360 16 G CA -0.542 44.524 45.100 -0.057 0.000 0.783 16 G HN 0.114 nan 8.290 nan 0.000 0.484 17 V N -0.626 119.222 119.914 -0.110 0.000 2.876 17 V HA 0.697 4.817 4.120 -0.000 0.000 0.312 17 V C -0.469 175.471 176.094 -0.256 0.000 1.085 17 V CA -0.809 61.351 62.300 -0.235 0.000 0.945 17 V CB 1.882 33.487 31.823 -0.363 0.000 1.017 17 V HN 0.675 nan 8.190 nan 0.000 0.428 18 V N 3.665 123.407 119.914 -0.286 0.000 2.417 18 V HA 0.554 4.674 4.120 -0.000 0.000 0.291 18 V C -1.075 174.915 176.094 -0.174 0.000 1.024 18 V CA -0.603 61.613 62.300 -0.141 0.000 0.861 18 V CB 1.233 33.014 31.823 -0.072 0.000 0.985 18 V HN 0.764 nan 8.190 nan 0.000 0.436 19 Y N 2.170 122.516 120.300 0.076 0.000 2.528 19 Y HA 0.564 5.114 4.550 -0.000 0.000 0.335 19 Y C 0.281 176.239 175.900 0.096 0.000 1.093 19 Y CA -1.068 57.076 58.100 0.073 0.000 1.134 19 Y CB 1.437 39.932 38.460 0.059 0.000 1.253 19 Y HN 0.464 nan 8.280 nan 0.000 0.478 20 K N 1.256 121.818 120.400 0.271 0.000 2.144 20 K HA 0.823 5.143 4.320 -0.000 0.000 0.270 20 K C -1.035 175.622 176.600 0.095 0.000 1.005 20 K CA -0.293 56.098 56.287 0.175 0.000 0.932 20 K CB 0.728 33.273 32.500 0.076 0.000 1.021 20 K HN 0.867 nan 8.250 nan 0.000 0.462 21 A N 3.267 126.109 122.820 0.037 0.000 2.593 21 A HA 0.598 4.918 4.320 -0.000 0.000 0.290 21 A C -1.537 176.073 177.584 0.043 0.000 1.126 21 A CA -0.860 51.204 52.037 0.046 0.000 0.695 21 A CB 1.613 20.650 19.000 0.062 0.000 1.290 21 A HN 0.778 nan 8.150 nan 0.000 0.414 22 R N 0.963 121.513 120.500 0.084 0.000 2.628 22 R HA 0.328 4.668 4.340 -0.000 0.000 0.288 22 R C -1.298 175.036 176.300 0.057 0.000 0.980 22 R CA -0.693 55.434 56.100 0.045 0.000 0.891 22 R CB 1.297 31.585 30.300 -0.020 0.000 1.188 22 R HN 0.816 nan 8.270 nan 0.000 0.450 23 N N 3.375 122.069 118.700 -0.009 0.000 2.420 23 N HA 0.021 4.761 4.740 -0.000 0.000 0.262 23 N C 0.158 175.563 175.510 -0.176 0.000 1.144 23 N CA 0.292 53.209 53.050 -0.222 0.000 0.952 23 N CB 1.138 39.505 38.487 -0.200 0.000 1.081 23 N HN 0.607 nan 8.380 nan 0.000 0.480 24 K N 3.263 123.537 120.400 -0.211 0.000 2.283 24 K HA -0.030 4.290 4.320 -0.000 0.000 0.202 24 K C 1.328 177.852 176.600 -0.126 0.000 1.048 24 K CA 0.909 57.112 56.287 -0.141 0.000 0.948 24 K CB 0.340 32.761 32.500 -0.132 0.000 0.742 24 K HN 0.535 nan 8.250 nan 0.000 0.458 25 L N 0.221 121.350 121.223 -0.156 0.000 2.253 25 L HA -0.034 4.306 4.340 -0.000 0.000 0.205 25 L C 2.451 179.264 176.870 -0.095 0.000 1.078 25 L CA 1.179 55.948 54.840 -0.119 0.000 0.805 25 L CB -0.279 41.701 42.059 -0.132 0.000 0.963 25 L HN 0.257 nan 8.230 nan 0.000 0.459 26 T N -4.743 109.749 114.554 -0.104 0.000 2.990 26 T HA 0.242 4.592 4.350 -0.000 0.000 0.250 26 T C 1.512 176.178 174.700 -0.056 0.000 1.041 26 T CA 0.574 62.632 62.100 -0.071 0.000 1.010 26 T CB 0.848 69.677 68.868 -0.065 0.000 1.003 26 T HN 0.375 nan 8.240 nan 0.000 0.499 27 G N 1.640 110.401 108.800 -0.065 0.000 2.184 27 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.264 27 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.264 27 G C -0.115 174.764 174.900 -0.035 0.000 0.975 27 G CA 0.375 45.446 45.100 -0.049 0.000 0.642 27 G HN 0.917 nan 8.290 nan 0.000 0.536 28 E N 0.556 120.741 120.200 -0.026 0.000 2.415 28 E HA 0.349 4.699 4.350 -0.000 0.000 0.263 28 E C 0.477 177.082 176.600 0.010 0.000 0.995 28 E CA -0.317 56.083 56.400 0.000 0.000 0.915 28 E CB 0.568 30.280 29.700 0.019 0.000 0.951 28 E HN 0.206 nan 8.360 nan 0.000 0.449 29 V N 5.111 125.017 119.914 -0.015 0.000 2.546 29 V HA 0.357 4.477 4.120 -0.000 0.000 0.284 29 V C 0.273 176.373 176.094 0.010 0.000 1.050 29 V CA -0.388 61.867 62.300 -0.076 0.000 0.981 29 V CB 1.275 32.960 31.823 -0.230 0.000 0.990 29 V HN 0.539 nan 8.190 nan 0.000 0.474 30 V N 2.549 122.483 119.914 0.034 0.000 3.202 30 V HA 0.895 5.015 4.120 -0.000 0.000 0.306 30 V C -0.573 175.654 176.094 0.222 0.000 1.283 30 V CA -0.469 61.928 62.300 0.162 0.000 1.065 30 V CB 2.634 34.556 31.823 0.166 0.000 1.079 30 V HN 1.034 nan 8.190 nan 0.000 0.448 31 A N 2.812 125.807 122.820 0.292 0.000 2.304 31 A HA 0.853 5.173 4.320 -0.000 0.000 0.314 31 A C -1.286 176.465 177.584 0.279 0.000 1.187 31 A CA -0.418 51.808 52.037 0.315 0.000 0.810 31 A CB 0.733 19.912 19.000 0.298 0.000 1.183 31 A HN 0.682 nan 8.150 nan 0.000 0.487 32 L N 2.316 123.672 121.223 0.222 0.000 2.287 32 L HA 0.479 4.819 4.340 -0.000 0.000 0.287 32 L C 0.132 177.194 176.870 0.320 0.000 1.022 32 L CA -0.559 54.395 54.840 0.190 0.000 0.814 32 L CB 1.734 43.839 42.059 0.077 0.000 1.217 32 L HN 0.775 nan 8.230 nan 0.000 0.420 33 K N 4.470 125.079 120.400 0.348 0.000 2.240 33 K HA 0.345 4.665 4.320 -0.000 0.000 0.271 33 K C -0.685 176.088 176.600 0.289 0.000 1.018 33 K CA -0.602 55.868 56.287 0.305 0.000 0.874 33 K CB 1.308 34.045 32.500 0.395 0.000 1.098 33 K HN 0.398 nan 8.250 nan 0.000 0.458 34 K N 4.805 125.350 120.400 0.241 0.000 2.118 34 K HA 0.454 4.774 4.320 -0.000 0.000 0.254 34 K C -1.052 175.582 176.600 0.057 0.000 0.961 34 K CA -0.689 55.653 56.287 0.091 0.000 0.876 34 K CB 0.858 33.470 32.500 0.187 0.000 1.077 34 K HN 0.615 nan 8.250 nan 0.000 0.440 35 I N 3.567 124.091 120.570 -0.078 0.000 2.548 35 I HA 0.202 4.372 4.170 -0.000 0.000 0.287 35 I C 0.550 176.618 176.117 -0.083 0.000 1.103 35 I CA -0.728 60.582 61.300 0.017 0.000 1.049 35 I CB 2.054 40.056 38.000 0.003 0.000 1.232 35 I HN 0.696 nan 8.210 nan 0.000 0.429 36 R N 4.402 124.890 120.500 -0.020 0.000 2.092 36 R HA 0.225 4.565 4.340 -0.000 0.000 0.231 36 R C -0.043 176.240 176.300 -0.028 0.000 1.119 36 R CA 1.058 57.141 56.100 -0.028 0.000 0.970 36 R CB 0.067 30.372 30.300 0.008 0.000 0.864 36 R HN 0.596 nan 8.270 nan 0.000 0.440 37 L N 1.570 122.779 121.223 -0.022 0.000 1.990 37 L HA -0.163 4.177 4.340 -0.000 0.000 0.618 37 L C -1.262 175.606 176.870 -0.003 0.000 1.001 37 L CA -0.046 54.784 54.840 -0.015 0.000 1.310 37 L CB -0.492 41.567 42.059 -0.000 0.000 2.076 37 L HN 0.346 nan 8.230 nan 0.000 1.017 38 D N 3.050 123.447 120.400 -0.005 0.000 2.600 38 D HA 0.113 4.753 4.640 -0.000 0.000 0.226 38 D C 1.043 177.345 176.300 0.004 0.000 1.119 38 D CA 0.131 54.132 54.000 0.001 0.000 1.051 38 D CB 0.333 41.133 40.800 0.000 0.000 1.106 38 D HN 0.433 nan 8.370 nan 0.000 0.491 39 T N 1.210 115.768 114.554 0.007 0.000 3.802 39 T HA 0.076 4.426 4.350 -0.000 0.000 0.243 39 T C 0.944 175.648 174.700 0.007 0.000 0.934 39 T CA 0.027 62.133 62.100 0.009 0.000 0.931 39 T CB -0.064 68.808 68.868 0.008 0.000 1.167 39 T HN 0.498 nan 8.240 nan 0.000 0.655 40 E N -0.119 120.084 120.200 0.006 0.000 2.097 40 E HA -0.046 4.304 4.350 -0.000 0.000 0.231 40 E C 1.071 177.673 176.600 0.004 0.000 1.073 40 E CA 0.273 56.676 56.400 0.005 0.000 1.554 40 E CB -0.225 29.478 29.700 0.006 0.000 3.728 40 E HN 0.283 nan 8.360 nan 0.000 1.007 41 T N -1.195 113.362 114.554 0.004 0.000 3.145 41 T HA 0.404 4.754 4.350 -0.000 0.000 0.281 41 T C 0.762 175.463 174.700 0.002 0.000 1.003 41 T CA 0.176 62.278 62.100 0.004 0.000 0.901 41 T CB 0.738 69.609 68.868 0.006 0.000 1.112 41 T HN 0.281 nan 8.240 nan 0.000 0.535 42 E N 0.575 120.774 120.200 -0.001 0.000 2.895 42 E HA 0.382 4.732 4.350 -0.000 0.000 0.254 42 E C 1.012 177.605 176.600 -0.011 0.000 1.139 42 E CA 0.709 57.105 56.400 -0.006 0.000 1.832 42 E CB 0.271 29.965 29.700 -0.009 0.000 2.683 42 E HN 0.380 nan 8.360 nan 0.000 1.040 43 G N 1.247 110.042 108.800 -0.009 0.000 2.527 43 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.227 43 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.227 43 G C -0.399 174.483 174.900 -0.030 0.000 1.291 43 G CA -0.226 44.871 45.100 -0.005 0.000 0.904 43 G HN 0.410 nan 8.290 nan 0.000 0.577 44 V N 3.340 123.228 119.914 -0.043 0.000 2.485 44 V HA 0.345 4.465 4.120 -0.000 0.000 0.287 44 V C -1.252 174.771 176.094 -0.119 0.000 1.022 44 V CA -0.193 62.044 62.300 -0.105 0.000 1.067 44 V CB 0.853 32.584 31.823 -0.152 0.000 0.967 44 V HN 0.612 nan 8.190 nan 0.000 0.479 45 P HA 0.116 nan 4.420 nan 0.000 0.268 45 P C 0.879 178.088 177.300 -0.152 0.000 1.208 45 P CA 0.161 63.155 63.100 -0.175 0.000 0.777 45 P CB 0.602 32.107 31.700 -0.325 0.000 0.875 46 S N 0.652 116.302 115.700 -0.083 0.000 2.382 46 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 46 S C 1.644 176.220 174.600 -0.039 0.000 1.027 46 S CA 1.891 60.065 58.200 -0.044 0.000 0.991 46 S CB -0.808 62.392 63.200 -0.001 0.000 0.823 46 S HN 0.603 nan 8.310 nan 0.000 0.469 47 T N 2.306 116.833 114.554 -0.044 0.000 2.684 47 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 47 T C 2.086 176.767 174.700 -0.031 0.000 1.036 47 T CA 1.288 63.398 62.100 0.018 0.000 1.148 47 T CB -0.558 68.397 68.868 0.144 0.000 0.863 47 T HN 0.455 nan 8.240 nan 0.000 0.436 48 A N 1.072 123.761 122.820 -0.219 0.000 1.898 48 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 48 A C 2.351 179.874 177.584 -0.101 0.000 1.181 48 A CA 1.014 52.934 52.037 -0.195 0.000 0.620 48 A CB -0.823 17.962 19.000 -0.359 0.000 0.819 48 A HN 0.503 nan 8.150 nan 0.000 0.442 49 I N -1.099 119.408 120.570 -0.105 0.000 2.208 49 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 49 I C 2.853 178.953 176.117 -0.028 0.000 1.097 49 I CA 1.501 62.758 61.300 -0.071 0.000 1.363 49 I CB -0.230 37.733 38.000 -0.062 0.000 1.051 49 I HN 0.303 nan 8.210 nan 0.000 0.413 50 R N 0.064 120.562 120.500 -0.003 0.000 2.093 50 R HA -0.143 4.197 4.340 -0.000 0.000 0.224 50 R C 2.229 178.561 176.300 0.054 0.000 1.101 50 R CA 1.057 57.174 56.100 0.029 0.000 0.979 50 R CB -0.119 30.207 30.300 0.042 0.000 0.877 50 R HN 0.380 nan 8.270 nan 0.000 0.441 51 E N 1.000 121.244 120.200 0.073 0.000 2.051 51 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 51 E C 1.822 178.461 176.600 0.065 0.000 0.991 51 E CA 1.201 57.673 56.400 0.121 0.000 0.799 51 E CB -0.020 29.791 29.700 0.186 0.000 0.748 51 E HN 0.231 nan 8.360 nan 0.000 0.449 52 I N 1.247 121.833 120.570 0.027 0.000 2.090 52 I HA -0.304 3.866 4.170 -0.000 0.000 0.236 52 I C 2.786 178.887 176.117 -0.026 0.000 1.064 52 I CA 1.581 62.871 61.300 -0.017 0.000 1.324 52 I CB -0.490 37.480 38.000 -0.050 0.000 1.044 52 I HN 0.233 nan 8.210 nan 0.000 0.399 53 S N 0.999 116.687 115.700 -0.019 0.000 2.400 53 S HA -0.142 4.328 4.470 -0.000 0.000 0.232 53 S C 1.905 176.503 174.600 -0.004 0.000 1.025 53 S CA 1.137 59.329 58.200 -0.013 0.000 0.993 53 S CB -0.772 62.423 63.200 -0.008 0.000 0.808 53 S HN 0.401 nan 8.310 nan 0.000 0.478 54 L N -0.376 120.851 121.223 0.006 0.000 2.145 54 L HA 0.186 4.526 4.340 -0.000 0.000 0.201 54 L C 2.503 179.346 176.870 -0.046 0.000 1.075 54 L CA 0.378 55.227 54.840 0.016 0.000 0.773 54 L CB -0.502 41.601 42.059 0.073 0.000 0.936 54 L HN 0.266 nan 8.230 nan 0.000 0.451 55 L N 1.189 122.346 121.223 -0.109 0.000 2.127 55 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 55 L C 2.544 179.330 176.870 -0.139 0.000 1.089 55 L CA 1.806 56.503 54.840 -0.239 0.000 0.757 55 L CB -0.676 41.250 42.059 -0.222 0.000 0.899 55 L HN 0.311 nan 8.230 nan 0.000 0.434 56 K N -1.263 119.090 120.400 -0.078 0.000 2.442 56 K HA -0.121 4.199 4.320 -0.000 0.000 0.198 56 K C 1.217 177.803 176.600 -0.024 0.000 1.042 56 K CA 1.415 57.670 56.287 -0.053 0.000 0.958 56 K CB -0.245 32.229 32.500 -0.044 0.000 0.766 56 K HN 0.463 nan 8.250 nan 0.000 0.474 57 E N 0.827 121.021 120.200 -0.010 0.000 2.452 57 E HA 0.113 4.463 4.350 -0.000 0.000 0.197 57 E C -0.032 176.604 176.600 0.061 0.000 1.022 57 E CA -0.026 56.396 56.400 0.036 0.000 0.890 57 E CB 0.330 30.063 29.700 0.054 0.000 0.918 57 E HN 0.287 nan 8.360 nan 0.000 0.496 58 L N 2.487 123.718 121.223 0.014 0.000 2.475 58 L HA 0.255 4.595 4.340 -0.000 0.000 0.253 58 L C -0.024 176.809 176.870 -0.061 0.000 1.137 58 L CA -0.326 54.550 54.840 0.060 0.000 1.058 58 L CB -0.005 42.050 42.059 -0.008 0.000 1.382 58 L HN -0.021 nan 8.230 nan 0.000 0.416 59 N N 2.390 121.040 118.700 -0.084 0.000 2.457 59 N HA 0.234 4.974 4.740 -0.000 0.000 0.250 59 N C -1.302 173.979 175.510 -0.382 0.000 0.982 59 N CA -0.317 52.632 53.050 -0.168 0.000 0.941 59 N CB 0.812 39.243 38.487 -0.092 0.000 1.120 59 N HN 0.538 nan 8.380 nan 0.000 0.505 60 H N 2.905 121.688 119.070 -0.478 0.000 3.079 60 H HA 0.299 4.855 4.556 -0.000 0.000 0.356 60 H C -1.981 173.166 175.328 -0.302 0.000 1.221 60 H CA -1.107 54.592 56.048 -0.581 0.000 1.185 60 H CB 1.997 31.203 29.762 -0.926 0.000 1.882 60 H HN 0.288 nan 8.280 nan 0.000 0.543 61 P HA -0.086 nan 4.420 nan 0.000 0.219 61 P C -0.214 177.079 177.300 -0.010 0.000 1.146 61 P CA 1.194 64.177 63.100 -0.194 0.000 0.808 61 P CB 0.221 31.766 31.700 -0.257 0.000 0.779 62 N N -0.564 118.279 118.700 0.239 0.000 2.320 62 N HA 0.236 4.976 4.740 -0.000 0.000 0.237 62 N C -0.137 175.413 175.510 0.066 0.000 1.129 62 N CA -0.027 53.108 53.050 0.141 0.000 0.854 62 N CB 0.102 38.658 38.487 0.115 0.000 1.083 62 N HN 0.164 nan 8.380 nan 0.000 0.504 63 I N 0.498 121.101 120.570 0.056 0.000 2.534 63 I HA 0.243 4.413 4.170 -0.000 0.000 0.288 63 I C -0.281 175.849 176.117 0.021 0.000 1.077 63 I CA -1.195 60.135 61.300 0.050 0.000 1.051 63 I CB 2.204 40.209 38.000 0.007 0.000 1.234 63 I HN -0.250 nan 8.210 nan 0.000 0.425 64 V N 6.012 125.957 119.914 0.050 0.000 2.617 64 V HA -0.011 4.109 4.120 -0.000 0.000 0.304 64 V C 0.731 176.866 176.094 0.069 0.000 1.040 64 V CA 0.018 62.346 62.300 0.045 0.000 1.149 64 V CB 0.011 31.854 31.823 0.033 0.000 0.914 64 V HN 0.624 nan 8.190 nan 0.000 0.487 65 K N 3.654 124.101 120.400 0.078 0.000 2.276 65 K HA 0.338 4.658 4.320 -0.000 0.000 0.283 65 K C -0.502 176.164 176.600 0.109 0.000 1.044 65 K CA -0.722 55.597 56.287 0.054 0.000 0.944 65 K CB 1.307 33.819 32.500 0.019 0.000 1.012 65 K HN 0.460 nan 8.250 nan 0.000 0.472 66 L N 5.339 126.562 121.223 0.001 0.000 2.260 66 L HA 0.151 4.491 4.340 -0.000 0.000 0.289 66 L C 0.384 177.159 176.870 -0.157 0.000 1.057 66 L CA 0.399 55.122 54.840 -0.195 0.000 0.811 66 L CB 0.489 42.420 42.059 -0.214 0.000 1.184 66 L HN 0.708 nan 8.230 nan 0.000 0.429 67 L N 2.938 124.058 121.223 -0.173 0.000 2.298 67 L HA 0.339 4.679 4.340 -0.000 0.000 0.209 67 L C 0.060 176.879 176.870 -0.084 0.000 1.084 67 L CA 0.352 55.142 54.840 -0.084 0.000 0.816 67 L CB 0.024 42.068 42.059 -0.025 0.000 0.967 67 L HN 0.668 nan 8.230 nan 0.000 0.460 68 D N -2.279 118.036 120.400 -0.141 0.000 2.694 68 D HA 0.384 5.024 4.640 -0.000 0.000 0.260 68 D C -1.567 174.662 176.300 -0.119 0.000 1.250 68 D CA -0.182 53.768 54.000 -0.083 0.000 0.763 68 D CB 2.486 43.281 40.800 -0.007 0.000 1.311 68 D HN -0.357 nan 8.370 nan 0.000 0.420 69 V N 2.136 122.020 119.914 -0.049 0.000 2.569 69 V HA 0.477 4.597 4.120 -0.000 0.000 0.301 69 V C -0.256 175.873 176.094 0.058 0.000 1.044 69 V CA -0.549 61.738 62.300 -0.021 0.000 0.874 69 V CB 1.606 33.410 31.823 -0.031 0.000 1.002 69 V HN 0.452 nan 8.190 nan 0.000 0.424 70 I N 4.896 125.538 120.570 0.120 0.000 2.377 70 I HA 0.335 4.505 4.170 -0.000 0.000 0.282 70 I C -0.208 176.068 176.117 0.265 0.000 1.091 70 I CA -0.380 61.024 61.300 0.174 0.000 1.207 70 I CB 0.380 38.470 38.000 0.150 0.000 1.429 70 I HN 0.598 nan 8.210 nan 0.000 0.491 71 H N 5.186 124.304 119.070 0.080 0.000 2.580 71 H HA 0.595 5.151 4.556 -0.000 0.000 0.322 71 H C 0.122 175.484 175.328 0.056 0.000 1.082 71 H CA -0.218 55.861 56.048 0.051 0.000 1.383 71 H CB 0.991 30.764 29.762 0.018 0.000 1.450 71 H HN 0.691 nan 8.280 nan 0.000 0.505 72 T N 0.530 115.050 114.554 -0.056 0.000 2.618 72 T HA 0.184 4.534 4.350 -0.000 0.000 0.255 72 T C 1.083 175.686 174.700 -0.162 0.000 0.988 72 T CA -0.106 61.913 62.100 -0.134 0.000 1.221 72 T CB 0.323 69.206 68.868 0.025 0.000 1.674 72 T HN 0.560 nan 8.240 nan 0.000 0.448 73 E N 2.497 122.660 120.200 -0.060 0.000 1.987 73 E HA -0.205 4.145 4.350 -0.000 0.000 0.214 73 E C 0.247 176.836 176.600 -0.019 0.000 1.012 73 E CA 1.827 58.205 56.400 -0.037 0.000 0.881 73 E CB -0.696 29.002 29.700 -0.002 0.000 0.806 73 E HN 0.769 nan 8.360 nan 0.000 0.516 74 N N 1.333 120.034 118.700 0.002 0.000 2.672 74 N HA 0.221 4.961 4.740 -0.000 0.000 0.295 74 N C -1.405 174.098 175.510 -0.011 0.000 1.924 74 N CA -0.516 52.537 53.050 0.004 0.000 0.851 74 N CB 0.815 39.305 38.487 0.005 0.000 1.281 74 N HN 0.373 nan 8.380 nan 0.000 0.494 75 K N -0.264 120.123 120.400 -0.022 0.000 2.580 75 K HA 0.407 4.727 4.320 -0.000 0.000 0.258 75 K C -1.924 174.594 176.600 -0.137 0.000 0.936 75 K CA -0.790 55.416 56.287 -0.136 0.000 0.852 75 K CB 1.708 34.133 32.500 -0.125 0.000 1.329 75 K HN 0.044 nan 8.250 nan 0.000 0.430 76 L N 3.664 124.727 121.223 -0.266 0.000 2.409 76 L HA 0.556 4.896 4.340 -0.000 0.000 0.272 76 L C -1.696 175.010 176.870 -0.273 0.000 0.980 76 L CA -0.929 53.839 54.840 -0.121 0.000 0.826 76 L CB 1.547 43.565 42.059 -0.069 0.000 1.268 76 L HN 0.746 nan 8.230 nan 0.000 0.407 77 Y N 4.121 124.447 120.300 0.043 0.000 2.409 77 Y HA 0.507 5.057 4.550 -0.000 0.000 0.343 77 Y C -0.206 175.674 175.900 -0.033 0.000 0.973 77 Y CA -0.792 57.320 58.100 0.019 0.000 1.064 77 Y CB 2.069 40.508 38.460 -0.036 0.000 1.207 77 Y HN 0.262 nan 8.280 nan 0.000 0.452 78 L N 4.110 125.408 121.223 0.125 0.000 2.307 78 L HA 0.608 4.948 4.340 -0.000 0.000 0.284 78 L C -0.867 175.861 176.870 -0.237 0.000 1.023 78 L CA -1.111 53.657 54.840 -0.119 0.000 0.810 78 L CB 1.648 43.661 42.059 -0.077 0.000 1.231 78 L HN 0.365 nan 8.230 nan 0.000 0.423 79 V N 3.716 123.380 119.914 -0.417 0.000 2.384 79 V HA 0.468 4.588 4.120 -0.000 0.000 0.287 79 V C -0.408 175.444 176.094 -0.403 0.000 1.020 79 V CA -0.338 61.788 62.300 -0.291 0.000 0.850 79 V CB 1.415 33.118 31.823 -0.201 0.000 0.987 79 V HN 0.413 nan 8.190 nan 0.000 0.436 80 F N 1.851 121.815 119.950 0.024 0.000 2.598 80 F HA 0.510 5.037 4.527 -0.000 0.000 0.327 80 F C 0.657 176.490 175.800 0.054 0.000 1.057 80 F CA -1.020 56.998 58.000 0.030 0.000 0.957 80 F CB 1.279 40.293 39.000 0.024 0.000 1.278 80 F HN 0.623 nan 8.300 nan 0.000 0.484 81 E N 1.053 121.400 120.200 0.246 0.000 2.422 81 E HA 0.114 4.464 4.350 -0.000 0.000 0.260 81 E C -1.513 175.208 176.600 0.201 0.000 1.108 81 E CA -0.289 56.213 56.400 0.171 0.000 0.943 81 E CB 0.866 30.625 29.700 0.100 0.000 0.961 81 E HN 0.489 nan 8.360 nan 0.000 0.443 82 F N 2.692 122.645 119.950 0.006 0.000 2.458 82 F HA 0.488 5.015 4.527 -0.000 0.000 0.336 82 F C -1.679 174.030 175.800 -0.152 0.000 1.114 82 F CA -0.941 57.030 58.000 -0.049 0.000 0.987 82 F CB 0.951 39.923 39.000 -0.047 0.000 1.130 82 F HN 0.393 nan 8.300 nan 0.000 0.458 83 L N 5.596 126.232 121.223 -0.978 0.000 2.341 83 L HA 0.405 4.745 4.340 -0.000 0.000 0.267 83 L C 0.662 176.869 176.870 -1.105 0.000 1.009 83 L CA -0.510 53.836 54.840 -0.823 0.000 0.819 83 L CB 1.840 43.671 42.059 -0.381 0.000 1.323 83 L HN 0.698 nan 8.230 nan 0.000 0.425 84 H N -0.192 118.662 119.070 -0.360 0.000 2.290 84 H HA -0.092 4.464 4.556 -0.000 0.000 0.298 84 H C 0.090 175.314 175.328 -0.173 0.000 1.087 84 H CA 1.684 57.630 56.048 -0.169 0.000 1.291 84 H CB -0.043 29.703 29.762 -0.026 0.000 1.369 84 H HN 0.608 nan 8.280 nan 0.000 0.492 85 Q N 0.132 119.899 119.800 -0.055 0.000 2.737 85 Q HA 0.266 4.606 4.340 -0.000 0.000 0.307 85 Q C -1.753 174.191 176.000 -0.094 0.000 0.905 85 Q CA -1.045 54.722 55.803 -0.061 0.000 0.753 85 Q CB 1.774 30.526 28.738 0.023 0.000 1.463 85 Q HN 0.246 nan 8.270 nan 0.000 0.455 86 D N -0.216 120.148 120.400 -0.061 0.000 2.268 86 D HA 0.220 4.860 4.640 -0.000 0.000 0.249 86 D C 0.565 176.867 176.300 0.004 0.000 1.008 86 D CA -0.876 53.082 54.000 -0.070 0.000 0.939 86 D CB 1.041 41.792 40.800 -0.081 0.000 1.170 86 D HN 0.576 nan 8.370 nan 0.000 0.468 87 L N -0.092 121.122 121.223 -0.015 0.000 2.187 87 L HA -0.151 4.189 4.340 -0.000 0.000 0.213 87 L C 2.182 179.131 176.870 0.131 0.000 1.100 87 L CA 1.167 56.064 54.840 0.094 0.000 0.765 87 L CB -0.260 41.812 42.059 0.023 0.000 0.904 87 L HN 0.535 nan 8.230 nan 0.000 0.437 88 K N 0.904 121.335 120.400 0.052 0.000 2.009 88 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 88 K C 1.992 178.634 176.600 0.070 0.000 1.049 88 K CA 1.740 58.056 56.287 0.049 0.000 0.929 88 K CB -0.002 32.502 32.500 0.006 0.000 0.714 88 K HN 0.157 nan 8.250 nan 0.000 0.440 89 K N -0.145 120.301 120.400 0.076 0.000 2.097 89 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 89 K C 1.912 178.594 176.600 0.137 0.000 1.050 89 K CA 0.839 57.176 56.287 0.084 0.000 0.938 89 K CB -0.506 32.037 32.500 0.071 0.000 0.718 89 K HN 0.094 nan 8.250 nan 0.000 0.442 90 F N 1.112 121.081 119.950 0.033 0.000 2.075 90 F HA -0.144 4.383 4.527 -0.000 0.000 0.297 90 F C 1.960 177.802 175.800 0.069 0.000 1.113 90 F CA 1.507 59.543 58.000 0.060 0.000 1.218 90 F CB -0.351 38.702 39.000 0.089 0.000 0.984 90 F HN -0.060 nan 8.300 nan 0.000 0.472 91 M N 0.093 119.684 119.600 -0.014 0.000 2.073 91 M HA -0.275 4.205 4.480 -0.000 0.000 0.258 91 M C 1.868 178.108 176.300 -0.100 0.000 1.070 91 M CA 2.213 57.460 55.300 -0.088 0.000 1.103 91 M CB -0.575 32.055 32.600 0.050 0.000 1.321 91 M HN 0.083 nan 8.290 nan 0.000 0.405 92 D N 0.399 120.781 120.400 -0.031 0.000 2.087 92 D HA -0.150 4.490 4.640 -0.000 0.000 0.192 92 D C 1.921 178.187 176.300 -0.057 0.000 0.993 92 D CA 1.828 55.815 54.000 -0.023 0.000 0.828 92 D CB -0.573 40.231 40.800 0.008 0.000 0.968 92 D HN 0.391 nan 8.370 nan 0.000 0.448 93 A N 0.546 123.330 122.820 -0.060 0.000 1.997 93 A HA -0.194 4.126 4.320 -0.000 0.000 0.221 93 A C 2.160 179.664 177.584 -0.134 0.000 1.172 93 A CA 2.110 54.109 52.037 -0.062 0.000 0.645 93 A CB -0.472 18.524 19.000 -0.006 0.000 0.813 93 A HN 0.250 nan 8.150 nan 0.000 0.454 94 S N -0.363 115.178 115.700 -0.265 0.000 2.575 94 S HA 0.500 4.970 4.470 -0.000 0.000 0.215 94 S C 0.836 175.343 174.600 -0.154 0.000 0.966 94 S CA 0.106 58.145 58.200 -0.269 0.000 0.911 94 S CB -0.303 62.615 63.200 -0.470 0.000 0.780 94 S HN 0.781 nan 8.310 nan 0.000 0.514 95 A N 1.232 123.987 122.820 -0.108 0.000 2.483 95 A HA 0.576 4.896 4.320 -0.000 0.000 0.238 95 A C 0.885 178.431 177.584 -0.063 0.000 1.070 95 A CA 0.001 51.995 52.037 -0.071 0.000 0.770 95 A CB -0.017 18.955 19.000 -0.047 0.000 1.008 95 A HN 0.622 nan 8.150 nan 0.000 0.497 96 L N 0.524 121.714 121.223 -0.055 0.000 2.681 96 L HA -0.279 4.061 4.340 -0.000 0.000 0.468 96 L C 1.860 178.700 176.870 -0.051 0.000 2.593 96 L CA 3.452 58.263 54.840 -0.047 0.000 2.807 96 L CB -1.541 40.494 42.059 -0.040 0.000 2.072 96 L HN 1.026 nan 8.230 nan 0.000 0.824 97 T N -1.018 113.500 114.554 -0.060 0.000 2.937 97 T HA 0.548 4.898 4.350 -0.000 0.000 0.260 97 T C 1.317 175.979 174.700 -0.063 0.000 1.051 97 T CA 1.214 63.278 62.100 -0.060 0.000 1.141 97 T CB -0.538 68.290 68.868 -0.067 0.000 0.879 97 T HN 2.134 nan 8.240 nan 0.000 0.459 98 G N 1.213 109.963 108.800 -0.082 0.000 2.758 98 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.686 98 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.686 98 G C -0.676 174.174 174.900 -0.084 0.000 1.389 98 G CA -0.683 44.369 45.100 -0.080 0.000 0.845 98 G HN 0.613 nan 8.290 nan 0.000 0.572 99 I N 2.453 122.983 120.570 -0.067 0.000 2.312 99 I HA 0.233 4.403 4.170 -0.000 0.000 0.291 99 I C -1.668 174.459 176.117 0.017 0.000 1.031 99 I CA -1.791 59.499 61.300 -0.016 0.000 1.293 99 I CB 1.327 39.357 38.000 0.050 0.000 1.403 99 I HN 0.215 nan 8.210 nan 0.000 0.484 100 P HA -0.088 nan 4.420 nan 0.000 0.261 100 P C 0.698 178.005 177.300 0.013 0.000 1.165 100 P CA -0.162 62.942 63.100 0.007 0.000 0.759 100 P CB 0.445 32.146 31.700 0.001 0.000 0.772 101 L N 6.425 127.661 121.223 0.022 0.000 2.089 101 L HA -0.151 4.189 4.340 -0.000 0.000 0.213 101 L C -0.607 176.280 176.870 0.029 0.000 1.079 101 L CA 2.622 57.493 54.840 0.051 0.000 0.758 101 L CB -2.355 39.740 42.059 0.061 0.000 0.891 101 L HN 0.497 nan 8.230 nan 0.000 0.433 102 P HA -0.109 nan 4.420 nan 0.000 0.221 102 P C 1.868 179.130 177.300 -0.064 0.000 1.150 102 P CA 0.677 63.748 63.100 -0.049 0.000 0.800 102 P CB 0.105 31.774 31.700 -0.051 0.000 0.787 103 L N -1.007 120.164 121.223 -0.087 0.000 2.179 103 L HA 0.046 4.386 4.340 -0.000 0.000 0.208 103 L C 2.001 178.715 176.870 -0.259 0.000 1.096 103 L CA 1.412 56.116 54.840 -0.226 0.000 0.779 103 L CB -1.013 40.903 42.059 -0.238 0.000 0.922 103 L HN -0.144 nan 8.230 nan 0.000 0.443 104 I N -0.463 120.084 120.570 -0.038 0.000 2.286 104 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 104 I C 2.455 178.689 176.117 0.195 0.000 1.104 104 I CA 1.283 62.660 61.300 0.127 0.000 1.397 104 I CB -0.297 37.843 38.000 0.233 0.000 1.072 104 I HN 0.258 nan 8.210 nan 0.000 0.417 105 K N 0.441 120.932 120.400 0.151 0.000 2.147 105 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 105 K C 2.298 179.050 176.600 0.253 0.000 1.049 105 K CA 1.604 57.990 56.287 0.165 0.000 0.936 105 K CB -0.032 32.382 32.500 -0.144 0.000 0.722 105 K HN 0.151 nan 8.250 nan 0.000 0.446 106 S N -0.569 115.213 115.700 0.137 0.000 2.371 106 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 106 S C 1.818 176.622 174.600 0.340 0.000 1.029 106 S CA 0.604 58.913 58.200 0.182 0.000 0.978 106 S CB -0.316 62.917 63.200 0.055 0.000 0.833 106 S HN 0.379 nan 8.310 nan 0.000 0.466 107 Y N 1.271 121.652 120.300 0.134 0.000 2.200 107 Y HA 0.026 4.576 4.550 -0.000 0.000 0.290 107 Y C 2.327 178.284 175.900 0.096 0.000 1.137 107 Y CA 0.492 58.650 58.100 0.095 0.000 1.163 107 Y CB -1.285 37.232 38.460 0.094 0.000 0.988 107 Y HN 0.296 nan 8.280 nan 0.000 0.518 108 L N -0.723 120.685 121.223 0.309 0.000 2.012 108 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 108 L C 2.291 179.255 176.870 0.157 0.000 1.073 108 L CA 1.568 56.523 54.840 0.192 0.000 0.748 108 L CB -1.274 40.841 42.059 0.094 0.000 0.891 108 L HN 0.114 nan 8.230 nan 0.000 0.431 109 F N 0.381 120.347 119.950 0.027 0.000 2.065 109 F HA -0.315 4.212 4.527 -0.000 0.000 0.298 109 F C 2.539 178.225 175.800 -0.190 0.000 1.112 109 F CA 2.273 60.057 58.000 -0.360 0.000 1.212 109 F CB -0.492 38.331 39.000 -0.295 0.000 0.975 109 F HN 0.273 nan 8.300 nan 0.000 0.476 110 Q N -0.135 119.651 119.800 -0.023 0.000 2.084 110 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 110 Q C 2.346 178.268 176.000 -0.130 0.000 0.978 110 Q CA 1.828 57.580 55.803 -0.086 0.000 0.844 110 Q CB -0.372 28.394 28.738 0.048 0.000 0.898 110 Q HN 0.459 nan 8.270 nan 0.000 0.426 111 L N 0.296 121.462 121.223 -0.094 0.000 2.093 111 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 111 L C 2.270 179.046 176.870 -0.157 0.000 1.085 111 L CA 0.854 55.623 54.840 -0.119 0.000 0.755 111 L CB -0.354 41.652 42.059 -0.089 0.000 0.904 111 L HN 0.240 nan 8.230 nan 0.000 0.435 112 L N -0.788 120.325 121.223 -0.182 0.000 2.083 112 L HA -0.251 4.089 4.340 -0.000 0.000 0.209 112 L C 2.692 179.417 176.870 -0.241 0.000 1.083 112 L CA 1.303 56.024 54.840 -0.199 0.000 0.752 112 L CB -0.400 41.526 42.059 -0.223 0.000 0.899 112 L HN 0.350 nan 8.230 nan 0.000 0.433 113 Q N -0.603 119.006 119.800 -0.318 0.000 2.079 113 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 113 Q C 2.302 178.118 176.000 -0.307 0.000 0.974 113 Q CA 1.444 57.095 55.803 -0.254 0.000 0.840 113 Q CB -0.363 28.240 28.738 -0.225 0.000 0.898 113 Q HN 0.601 nan 8.270 nan 0.000 0.430 114 G N 0.908 109.514 108.800 -0.323 0.000 2.418 114 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 114 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 114 G C 1.367 176.130 174.900 -0.229 0.000 1.158 114 G CA 0.252 45.104 45.100 -0.414 0.000 0.771 114 G HN 0.197 nan 8.290 nan 0.000 0.545 115 L N 0.594 121.694 121.223 -0.205 0.000 2.017 115 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 115 L C 3.317 180.018 176.870 -0.281 0.000 1.073 115 L CA 1.702 56.380 54.840 -0.270 0.000 0.745 115 L CB -0.589 41.300 42.059 -0.283 0.000 0.894 115 L HN 0.344 nan 8.230 nan 0.000 0.432 116 A N -0.499 122.233 122.820 -0.146 0.000 1.940 116 A HA -0.315 4.005 4.320 -0.000 0.000 0.219 116 A C 2.109 179.719 177.584 0.043 0.000 1.176 116 A CA 1.783 53.809 52.037 -0.019 0.000 0.631 116 A CB -0.956 18.045 19.000 0.002 0.000 0.814 116 A HN 0.484 nan 8.150 nan 0.000 0.446 117 F N 0.205 120.080 119.950 -0.125 0.000 2.095 117 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 117 F C 2.581 178.409 175.800 0.046 0.000 1.104 117 F CA 1.778 59.736 58.000 -0.070 0.000 1.232 117 F CB -0.650 38.127 39.000 -0.370 0.000 0.987 117 F HN 0.312 nan 8.300 nan 0.000 0.475 118 C N 0.046 119.417 119.300 0.120 0.000 2.413 118 C HA -0.241 4.219 4.460 -0.000 0.000 0.277 118 C C 2.702 177.856 174.990 0.273 0.000 1.228 118 C CA 1.748 60.875 59.018 0.181 0.000 1.731 118 C CB -1.659 26.191 27.740 0.182 0.000 2.042 118 C HN 0.556 nan 8.230 nan 0.000 0.468 119 H N 0.542 119.731 119.070 0.198 0.000 2.352 119 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 119 H C 2.295 177.734 175.328 0.185 0.000 1.097 119 H CA 1.573 57.784 56.048 0.272 0.000 1.311 119 H CB -0.107 29.784 29.762 0.215 0.000 1.377 119 H HN 0.582 nan 8.280 nan 0.000 0.504 120 S N 0.033 115.843 115.700 0.183 0.000 2.607 120 S HA -0.065 4.405 4.470 -0.000 0.000 0.224 120 S C 0.569 175.006 174.600 -0.272 0.000 0.969 120 S CA 0.472 58.655 58.200 -0.029 0.000 0.927 120 S CB -0.118 63.035 63.200 -0.078 0.000 0.772 120 S HN 0.476 nan 8.310 nan 0.000 0.533 121 H N 1.519 120.469 119.070 -0.200 0.000 2.475 121 H HA 0.356 4.912 4.556 -0.000 0.000 0.276 121 H C 0.391 175.607 175.328 -0.187 0.000 1.126 121 H CA -0.250 55.666 56.048 -0.219 0.000 1.023 121 H CB 0.164 29.768 29.762 -0.263 0.000 1.669 121 H HN 0.452 nan 8.280 nan 0.000 0.573 122 R N -1.666 118.696 120.500 -0.230 0.000 3.516 122 R HA -0.149 4.191 4.340 -0.000 0.000 0.271 122 R C -1.487 174.697 176.300 -0.194 0.000 1.098 122 R CA 0.663 56.351 56.100 -0.686 0.000 0.732 122 R CB -3.248 26.553 30.300 -0.830 0.000 1.152 122 R HN 0.105 nan 8.270 nan 0.000 0.455 123 V N 1.087 121.163 119.914 0.270 0.000 2.448 123 V HA 0.475 4.595 4.120 -0.000 0.000 0.295 123 V C 0.502 176.936 176.094 0.566 0.000 1.025 123 V CA -0.834 61.705 62.300 0.398 0.000 0.859 123 V CB 1.811 33.822 31.823 0.312 0.000 0.988 123 V HN 0.284 nan 8.190 nan 0.000 0.431 124 L N 4.063 125.552 121.223 0.444 0.000 2.289 124 L HA 0.461 4.801 4.340 -0.000 0.000 0.285 124 L C 1.371 178.344 176.870 0.172 0.000 1.049 124 L CA -0.566 54.445 54.840 0.284 0.000 0.804 124 L CB 1.254 43.352 42.059 0.066 0.000 1.195 124 L HN 0.754 nan 8.230 nan 0.000 0.428 125 H N 4.655 123.760 119.070 0.058 0.000 2.317 125 H HA 0.011 4.567 4.556 -0.000 0.000 0.304 125 H C 0.754 175.997 175.328 -0.143 0.000 1.067 125 H CA 1.514 57.463 56.048 -0.164 0.000 1.352 125 H CB 0.529 30.110 29.762 -0.302 0.000 1.398 125 H HN 0.602 nan 8.280 nan 0.000 0.510 126 R N -0.228 120.361 120.500 0.148 0.000 3.989 126 R HA -0.183 4.157 4.340 -0.000 0.000 0.377 126 R C -0.568 175.813 176.300 0.134 0.000 1.158 126 R CA 1.077 57.224 56.100 0.079 0.000 1.035 126 R CB -1.658 28.541 30.300 -0.167 0.000 1.557 126 R HN 0.341 nan 8.270 nan 0.000 0.551 127 D N 0.157 120.728 120.400 0.285 0.000 3.118 127 D HA 0.181 4.821 4.640 -0.000 0.000 0.352 127 D C -0.606 175.732 176.300 0.064 0.000 1.498 127 D CA -0.203 53.899 54.000 0.169 0.000 0.759 127 D CB 0.327 41.184 40.800 0.095 0.000 1.251 127 D HN 0.118 nan 8.370 nan 0.000 0.504 128 L N 2.287 123.469 121.223 -0.068 0.000 2.433 128 L HA 0.248 4.588 4.340 -0.000 0.000 0.284 128 L C 0.270 176.973 176.870 -0.279 0.000 1.120 128 L CA 0.295 54.962 54.840 -0.288 0.000 0.879 128 L CB -0.072 41.832 42.059 -0.260 0.000 1.232 128 L HN 0.039 nan 8.230 nan 0.000 0.454 129 K N 2.379 122.564 120.400 -0.359 0.000 2.508 129 K HA 0.529 4.849 4.320 -0.000 0.000 0.260 129 K C -2.526 173.822 176.600 -0.419 0.000 0.949 129 K CA -1.883 54.038 56.287 -0.611 0.000 0.834 129 K CB 1.494 33.719 32.500 -0.460 0.000 1.365 129 K HN -0.177 nan 8.250 nan 0.000 0.437 130 P HA -0.334 nan 4.420 nan 0.000 0.219 130 P C 0.684 177.901 177.300 -0.138 0.000 1.153 130 P CA 1.709 64.695 63.100 -0.190 0.000 0.865 130 P CB 0.039 31.689 31.700 -0.083 0.000 0.788 131 Q N -2.274 117.442 119.800 -0.140 0.000 2.472 131 Q HA 0.020 4.360 4.340 -0.000 0.000 0.208 131 Q C 0.857 176.780 176.000 -0.128 0.000 0.958 131 Q CA 0.696 56.432 55.803 -0.112 0.000 0.932 131 Q CB -0.579 28.101 28.738 -0.097 0.000 1.007 131 Q HN 0.206 nan 8.270 nan 0.000 0.508 132 N N 0.485 119.093 118.700 -0.152 0.000 2.230 132 N HA 0.242 4.982 4.740 -0.000 0.000 0.202 132 N C -0.896 174.520 175.510 -0.157 0.000 1.119 132 N CA 0.175 53.142 53.050 -0.139 0.000 0.851 132 N CB 0.647 39.061 38.487 -0.120 0.000 0.990 132 N HN 0.223 nan 8.380 nan 0.000 0.497 133 L N 1.297 122.418 121.223 -0.170 0.000 2.319 133 L HA 0.477 4.817 4.340 -0.000 0.000 0.281 133 L C -0.452 176.309 176.870 -0.182 0.000 1.005 133 L CA -0.555 54.175 54.840 -0.183 0.000 0.828 133 L CB 1.600 43.538 42.059 -0.202 0.000 1.227 133 L HN -0.233 nan 8.230 nan 0.000 0.415 134 L N 5.087 126.200 121.223 -0.184 0.000 2.325 134 L HA 0.650 4.990 4.340 -0.000 0.000 0.279 134 L C -0.077 176.660 176.870 -0.221 0.000 1.054 134 L CA -0.667 54.056 54.840 -0.195 0.000 0.804 134 L CB 1.705 43.644 42.059 -0.201 0.000 1.200 134 L HN 0.565 nan 8.230 nan 0.000 0.436 135 I N -0.273 120.172 120.570 -0.207 0.000 3.002 135 I HA 0.675 4.845 4.170 -0.000 0.000 0.310 135 I C -1.096 174.995 176.117 -0.044 0.000 1.087 135 I CA -0.778 60.399 61.300 -0.204 0.000 1.017 135 I CB 2.315 40.115 38.000 -0.333 0.000 1.226 135 I HN 0.620 nan 8.210 nan 0.000 0.443 136 N N 0.024 118.736 118.700 0.019 0.000 2.469 136 N HA 0.323 5.063 4.740 -0.000 0.000 0.286 136 N C 0.409 175.901 175.510 -0.030 0.000 1.275 136 N CA -0.280 52.903 53.050 0.223 0.000 0.790 136 N CB 1.021 39.679 38.487 0.286 0.000 1.446 136 N HN 0.749 nan 8.380 nan 0.000 0.501 137 T N -3.621 110.788 114.554 -0.242 0.000 3.025 137 T HA -0.035 4.315 4.350 -0.000 0.000 0.270 137 T C 0.589 175.241 174.700 -0.081 0.000 1.126 137 T CA 1.096 63.060 62.100 -0.226 0.000 1.105 137 T CB -0.232 68.434 68.868 -0.336 0.000 0.884 137 T HN 0.462 nan 8.240 nan 0.000 0.522 138 E N 0.916 121.105 120.200 -0.017 0.000 2.442 138 E HA 0.342 4.692 4.350 -0.000 0.000 0.195 138 E C 1.591 178.209 176.600 0.029 0.000 1.030 138 E CA 0.548 56.956 56.400 0.013 0.000 0.869 138 E CB -0.166 29.554 29.700 0.033 0.000 0.857 138 E HN 0.669 nan 8.360 nan 0.000 0.505 139 G N -0.481 108.347 108.800 0.047 0.000 2.138 139 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.193 139 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.193 139 G C 0.279 175.283 174.900 0.173 0.000 0.998 139 G CA -0.016 45.152 45.100 0.113 0.000 0.668 139 G HN 0.468 nan 8.290 nan 0.000 0.516 140 A N -0.307 122.566 122.820 0.089 0.000 2.303 140 A HA 0.889 5.209 4.320 -0.000 0.000 0.317 140 A C -0.167 177.377 177.584 -0.065 0.000 1.149 140 A CA -0.258 51.804 52.037 0.042 0.000 0.822 140 A CB 1.257 20.266 19.000 0.015 0.000 1.131 140 A HN 1.429 nan 8.150 nan 0.000 0.493 141 I N 0.913 121.403 120.570 -0.134 0.000 2.533 141 I HA 0.513 4.683 4.170 -0.000 0.000 0.290 141 I C -0.944 175.073 176.117 -0.166 0.000 1.056 141 I CA -0.488 60.632 61.300 -0.299 0.000 1.057 141 I CB 1.642 39.281 38.000 -0.602 0.000 1.240 141 I HN 0.667 nan 8.210 nan 0.000 0.423 142 K N 7.634 127.942 120.400 -0.153 0.000 2.426 142 K HA 0.526 4.846 4.320 -0.000 0.000 0.251 142 K C -1.290 175.270 176.600 -0.067 0.000 0.941 142 K CA -0.912 55.327 56.287 -0.080 0.000 0.808 142 K CB 2.534 35.005 32.500 -0.049 0.000 1.265 142 K HN 0.528 nan 8.250 nan 0.000 0.432 143 L N 1.847 123.069 121.223 -0.002 0.000 2.426 143 L HA 0.396 4.736 4.340 -0.000 0.000 0.271 143 L C 0.286 177.281 176.870 0.209 0.000 1.169 143 L CA -0.020 54.843 54.840 0.038 0.000 0.836 143 L CB 0.734 42.869 42.059 0.126 0.000 1.112 143 L HN 0.827 nan 8.230 nan 0.000 0.465 144 A N 1.670 124.586 122.820 0.160 0.000 2.567 144 A HA 0.530 4.850 4.320 -0.000 0.000 0.289 144 A C -0.672 177.042 177.584 0.217 0.000 1.177 144 A CA -0.401 51.763 52.037 0.211 0.000 0.694 144 A CB 1.331 20.320 19.000 -0.018 0.000 1.292 144 A HN 0.718 nan 8.150 nan 0.000 0.425 145 D N -1.367 119.116 120.400 0.139 0.000 3.187 145 D HA -0.137 4.503 4.640 -0.000 0.000 0.244 145 D C -0.671 175.574 176.300 -0.092 0.000 1.114 145 D CA 0.616 54.640 54.000 0.040 0.000 0.920 145 D CB -1.131 39.649 40.800 -0.033 0.000 0.970 145 D HN 0.433 nan 8.370 nan 0.000 0.418 146 F N -0.221 119.650 119.950 -0.131 0.000 2.676 146 F HA 0.306 4.833 4.527 -0.000 0.000 0.300 146 F C 2.310 178.040 175.800 -0.117 0.000 1.160 146 F CA 0.372 58.238 58.000 -0.223 0.000 1.401 146 F CB 0.230 39.172 39.000 -0.097 0.000 1.037 146 F HN 0.311 nan 8.300 nan 0.000 0.522 147 G N -0.233 108.593 108.800 0.043 0.000 2.470 147 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.220 147 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.220 147 G C 1.410 176.328 174.900 0.031 0.000 1.121 147 G CA 0.459 45.611 45.100 0.086 0.000 0.766 147 G HN 0.408 nan 8.290 nan 0.000 0.553 148 L N 0.467 121.648 121.223 -0.069 0.000 2.857 148 L HA 0.402 4.742 4.340 -0.000 0.000 0.249 148 L C 1.362 178.165 176.870 -0.111 0.000 1.172 148 L CA -0.525 54.272 54.840 -0.072 0.000 0.980 148 L CB 0.248 42.258 42.059 -0.082 0.000 1.299 148 L HN 0.203 nan 8.230 nan 0.000 0.535 149 A N 1.047 123.804 122.820 -0.105 0.000 2.386 149 A HA 0.555 4.875 4.320 -0.000 0.000 0.248 149 A C 0.057 177.658 177.584 0.028 0.000 1.082 149 A CA 0.111 52.117 52.037 -0.051 0.000 0.789 149 A CB 0.381 19.419 19.000 0.064 0.000 1.025 149 A HN 0.273 nan 8.150 nan 0.000 0.490 150 R N 0.206 120.743 120.500 0.062 0.000 2.584 150 R HA 0.518 4.858 4.340 -0.000 0.000 0.276 150 R C -0.808 175.596 176.300 0.173 0.000 1.046 150 R CA -0.428 55.725 56.100 0.088 0.000 0.906 150 R CB 2.132 32.455 30.300 0.038 0.000 1.215 150 R HN 0.898 nan 8.270 nan 0.000 0.449 151 A N 2.859 125.764 122.820 0.142 0.000 2.401 151 A HA 0.399 4.719 4.320 -0.000 0.000 0.259 151 A C 0.107 177.799 177.584 0.179 0.000 1.103 151 A CA -0.272 51.841 52.037 0.127 0.000 0.789 151 A CB -0.306 18.721 19.000 0.045 0.000 1.035 151 A HN 0.662 nan 8.150 nan 0.000 0.491 152 F N 1.312 121.282 119.950 0.033 0.000 2.928 152 F HA 0.506 5.033 4.527 -0.000 0.000 0.337 152 F C 1.025 176.824 175.800 -0.002 0.000 1.259 152 F CA -0.584 57.426 58.000 0.017 0.000 1.267 152 F CB -0.106 38.906 39.000 0.019 0.000 0.986 152 F HN 0.438 nan 8.300 nan 0.000 0.507 153 G N 0.240 108.954 108.800 -0.142 0.000 2.776 153 G HA2 0.205 4.165 3.960 -0.000 0.000 0.209 153 G HA3 0.205 4.165 3.960 -0.000 0.000 0.209 153 G C -0.091 174.784 174.900 -0.042 0.000 1.145 153 G CA 0.616 45.625 45.100 -0.151 0.000 0.791 153 G HN 0.338 nan 8.290 nan 0.000 0.530 154 V N 0.698 120.623 119.914 0.017 0.000 2.697 154 V HA 0.323 4.443 4.120 -0.000 0.000 0.300 154 V C -2.334 173.787 176.094 0.045 0.000 1.115 154 V CA -1.643 60.666 62.300 0.014 0.000 0.912 154 V CB 2.613 34.438 31.823 0.004 0.000 1.024 154 V HN -0.014 nan 8.190 nan 0.000 0.431 155 P HA -0.084 nan 4.420 nan 0.000 0.263 155 P C -0.583 176.755 177.300 0.063 0.000 1.145 155 P CA 0.519 63.561 63.100 -0.097 0.000 0.755 155 P CB 0.132 31.499 31.700 -0.555 0.000 0.746 156 V N 5.680 125.711 119.914 0.196 0.000 2.432 156 V HA 0.221 4.341 4.120 -0.000 0.000 0.275 156 V C 1.060 177.454 176.094 0.499 0.000 1.043 156 V CA -0.240 62.230 62.300 0.283 0.000 0.925 156 V CB 0.765 32.707 31.823 0.199 0.000 0.985 156 V HN 0.433 nan 8.190 nan 0.000 0.466 157 R N 2.490 123.251 120.500 0.436 0.000 2.410 157 R HA 0.406 4.746 4.340 -0.000 0.000 0.288 157 R C 0.425 176.935 176.300 0.349 0.000 1.051 157 R CA -0.342 55.967 56.100 0.347 0.000 1.021 157 R CB 1.137 31.560 30.300 0.204 0.000 1.032 157 R HN 0.886 nan 8.270 nan 0.000 0.481 158 T N 0.478 115.183 114.554 0.253 0.000 2.870 158 T HA 0.091 4.441 4.350 -0.000 0.000 0.300 158 T C -0.616 174.272 174.700 0.314 0.000 0.989 158 T CA -0.255 62.030 62.100 0.309 0.000 1.139 158 T CB 0.627 69.488 68.868 -0.011 0.000 0.920 158 T HN 0.448 nan 8.240 nan 0.000 0.537 159 Y N 2.835 123.271 120.300 0.228 0.000 2.421 159 Y HA 0.408 4.958 4.550 -0.000 0.000 0.339 159 Y C 1.110 177.128 175.900 0.196 0.000 0.996 159 Y CA -1.586 56.614 58.100 0.166 0.000 1.046 159 Y CB 1.814 40.359 38.460 0.143 0.000 1.226 159 Y HN 0.885 nan 8.280 nan 0.000 0.445 160 T N 0.327 115.037 114.554 0.260 0.000 3.098 160 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 160 T C 0.483 175.030 174.700 -0.255 0.000 1.145 160 T CA 1.789 63.911 62.100 0.037 0.000 1.092 160 T CB -0.353 68.606 68.868 0.151 0.000 0.908 160 T HN 0.736 nan 8.240 nan 0.000 0.526 161 H N 0.815 119.247 119.070 -1.063 0.000 2.648 161 H HA 0.335 4.891 4.556 -0.000 0.000 0.265 161 H C 0.307 175.336 175.328 -0.499 0.000 0.961 161 H CA -0.156 55.412 56.048 -0.801 0.000 1.185 161 H CB 0.424 29.665 29.762 -0.869 0.000 1.449 161 H HN 0.546 nan 8.280 nan 0.000 0.523 162 E N 1.312 121.310 120.200 -0.338 0.000 2.256 162 E HA 0.442 4.792 4.350 -0.000 0.000 0.243 162 E C -0.997 175.617 176.600 0.023 0.000 0.925 162 E CA -0.470 55.883 56.400 -0.078 0.000 0.748 162 E CB 2.137 31.858 29.700 0.034 0.000 1.206 162 E HN -0.052 nan 8.360 nan 0.000 0.428 163 V N 1.927 121.853 119.914 0.020 0.000 3.077 163 V HA 0.191 4.311 4.120 -0.000 0.000 0.299 163 V C -0.491 175.650 176.094 0.077 0.000 1.276 163 V CA -0.858 61.504 62.300 0.104 0.000 0.993 163 V CB 2.348 34.234 31.823 0.105 0.000 1.076 163 V HN 0.408 nan 8.190 nan 0.000 0.434 164 V N 2.534 122.526 119.914 0.130 0.000 3.332 164 V HA 0.213 4.333 4.120 -0.000 0.000 0.305 164 V C 1.012 177.169 176.094 0.106 0.000 1.114 164 V CA 0.695 63.072 62.300 0.129 0.000 1.194 164 V CB 0.444 32.391 31.823 0.207 0.000 1.027 164 V HN 1.072 nan 8.190 nan 0.000 0.492 165 T N 1.218 115.838 114.554 0.111 0.000 2.926 165 T HA 0.144 4.494 4.350 -0.000 0.000 0.307 165 T C 0.924 175.697 174.700 0.122 0.000 1.059 165 T CA -0.239 61.899 62.100 0.063 0.000 1.122 165 T CB 0.256 69.136 68.868 0.019 0.000 0.972 165 T HN 0.628 nan 8.240 nan 0.000 0.545 166 L N 4.594 125.851 121.223 0.057 0.000 1.991 166 L HA -0.123 4.217 4.340 -0.000 0.000 0.221 166 L C 1.966 178.981 176.870 0.243 0.000 1.079 166 L CA 2.181 57.097 54.840 0.126 0.000 0.778 166 L CB -0.937 41.196 42.059 0.123 0.000 0.893 166 L HN 0.828 nan 8.230 nan 0.000 0.437 167 W N -1.134 120.101 121.300 -0.108 0.000 2.313 167 W HA -0.234 4.426 4.660 -0.000 0.000 0.293 167 W C 2.228 178.513 176.519 -0.391 0.000 1.216 167 W CA 1.059 58.206 57.345 -0.331 0.000 1.223 167 W CB -1.342 27.723 29.460 -0.658 0.000 1.138 167 W HN 0.317 nan 8.180 nan 0.000 0.535 168 Y N -1.186 119.351 120.300 0.395 0.000 2.507 168 Y HA 0.270 4.820 4.550 -0.000 0.000 0.254 168 Y C 1.252 177.385 175.900 0.388 0.000 1.171 168 Y CA -0.681 57.640 58.100 0.368 0.000 1.238 168 Y CB -0.475 38.130 38.460 0.242 0.000 1.148 168 Y HN -0.331 nan 8.280 nan 0.000 0.525 169 R N 1.892 122.593 120.500 0.335 0.000 2.347 169 R HA 0.470 4.810 4.340 -0.000 0.000 0.304 169 R C 0.289 176.521 176.300 -0.114 0.000 1.072 169 R CA -0.160 56.030 56.100 0.150 0.000 0.980 169 R CB 0.403 30.747 30.300 0.074 0.000 0.986 169 R HN 0.256 nan 8.270 nan 0.000 0.448 170 A N 6.392 129.012 122.820 -0.334 0.000 2.448 170 A HA 0.178 4.498 4.320 -0.000 0.000 0.239 170 A C -1.509 175.652 177.584 -0.706 0.000 1.080 170 A CA -1.186 50.268 52.037 -0.972 0.000 0.779 170 A CB 0.050 18.737 19.000 -0.521 0.000 1.026 170 A HN 0.674 nan 8.150 nan 0.000 0.499 171 P HA -0.159 nan 4.420 nan 0.000 0.216 171 P C 0.693 178.028 177.300 0.058 0.000 1.153 171 P CA 1.602 64.536 63.100 -0.276 0.000 0.848 171 P CB 0.041 31.704 31.700 -0.062 0.000 0.787 172 E N 0.243 120.512 120.200 0.115 0.000 2.085 172 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 172 E C 2.220 178.844 176.600 0.041 0.000 0.994 172 E CA 1.083 57.642 56.400 0.264 0.000 0.801 172 E CB -1.057 28.745 29.700 0.171 0.000 0.743 172 E HN 0.282 nan 8.360 nan 0.000 0.453 173 I N 0.547 121.060 120.570 -0.096 0.000 2.226 173 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 173 I C 2.206 178.279 176.117 -0.074 0.000 1.100 173 I CA 0.979 62.192 61.300 -0.145 0.000 1.374 173 I CB -0.248 37.632 38.000 -0.199 0.000 1.057 173 I HN 0.085 nan 8.210 nan 0.000 0.413 174 L N 0.164 121.346 121.223 -0.068 0.000 2.083 174 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 174 L C 2.116 178.990 176.870 0.006 0.000 1.083 174 L CA 1.201 56.010 54.840 -0.052 0.000 0.752 174 L CB -0.306 41.692 42.059 -0.102 0.000 0.899 174 L HN 0.275 nan 8.230 nan 0.000 0.433 175 L N -0.356 120.902 121.223 0.059 0.000 2.612 175 L HA 0.173 4.513 4.340 -0.000 0.000 0.230 175 L C 1.092 177.992 176.870 0.050 0.000 1.140 175 L CA 0.332 55.233 54.840 0.102 0.000 0.896 175 L CB -0.422 41.720 42.059 0.138 0.000 1.065 175 L HN 0.450 nan 8.230 nan 0.000 0.447 176 G N 0.686 109.495 108.800 0.015 0.000 2.204 176 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 176 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 176 G C 0.389 175.271 174.900 -0.029 0.000 1.062 176 G CA -0.042 45.052 45.100 -0.010 0.000 0.798 176 G HN 0.474 nan 8.290 nan 0.000 0.496 177 C N -1.083 118.199 119.300 -0.031 0.000 2.727 177 C HA 0.646 5.106 4.460 -0.000 0.000 0.401 177 C C 1.917 176.840 174.990 -0.111 0.000 1.294 177 C CA 0.230 59.225 59.018 -0.039 0.000 2.134 177 C CB 1.317 29.056 27.740 -0.002 0.000 2.724 177 C HN 0.543 nan 8.230 nan 0.000 0.677 178 K N 0.242 120.544 120.400 -0.163 0.000 2.128 178 K HA 0.096 4.415 4.320 -0.000 0.000 0.202 178 K C -0.205 176.106 176.600 -0.482 0.000 1.050 178 K CA 0.927 56.994 56.287 -0.367 0.000 0.966 178 K CB 0.008 32.189 32.500 -0.531 0.000 0.759 178 K HN 0.792 nan 8.250 nan 0.000 0.454 179 Y N -0.814 119.506 120.300 0.034 0.000 2.446 179 Y HA 0.265 4.815 4.550 -0.000 0.000 0.338 179 Y C -0.089 175.826 175.900 0.025 0.000 1.055 179 Y CA -1.156 56.987 58.100 0.072 0.000 1.101 179 Y CB 0.716 39.222 38.460 0.078 0.000 1.221 179 Y HN -0.096 nan 8.280 nan 0.000 0.460 180 Y N 0.718 121.130 120.300 0.187 0.000 2.289 180 Y HA 0.487 5.037 4.550 -0.000 0.000 0.332 180 Y C 0.646 176.544 175.900 -0.003 0.000 1.324 180 Y CA 0.383 58.525 58.100 0.071 0.000 1.478 180 Y CB 1.424 39.913 38.460 0.049 0.000 1.378 180 Y HN 0.634 nan 8.280 nan 0.000 0.558 181 S N -2.170 113.589 115.700 0.098 0.000 2.643 181 S HA 0.190 4.660 4.470 -0.000 0.000 0.270 181 S C 0.463 174.933 174.600 -0.216 0.000 1.166 181 S CA -0.189 57.941 58.200 -0.118 0.000 0.815 181 S CB 0.710 63.875 63.200 -0.058 0.000 1.139 181 S HN 0.739 nan 8.310 nan 0.000 0.472 182 T N -0.462 113.830 114.554 -0.437 0.000 2.759 182 T HA -0.076 4.274 4.350 -0.000 0.000 0.269 182 T C 2.138 176.766 174.700 -0.119 0.000 1.042 182 T CA 1.746 63.507 62.100 -0.565 0.000 1.140 182 T CB -1.283 67.124 68.868 -0.770 0.000 0.864 182 T HN 1.276 nan 8.240 nan 0.000 0.455 183 A N 2.120 124.912 122.820 -0.047 0.000 1.958 183 A HA -0.066 4.254 4.320 -0.000 0.000 0.221 183 A C 2.781 180.452 177.584 0.146 0.000 1.178 183 A CA 2.381 54.455 52.037 0.062 0.000 0.642 183 A CB -1.386 17.628 19.000 0.024 0.000 0.816 183 A HN 0.990 nan 8.150 nan 0.000 0.453 184 V N -2.023 117.967 119.914 0.127 0.000 2.469 184 V HA -0.232 3.888 4.120 -0.000 0.000 0.251 184 V C 1.729 177.985 176.094 0.271 0.000 1.064 184 V CA 2.606 65.020 62.300 0.190 0.000 1.066 184 V CB -0.795 31.159 31.823 0.219 0.000 0.667 184 V HN 0.423 nan 8.190 nan 0.000 0.461 185 D N 0.263 120.813 120.400 0.250 0.000 2.149 185 D HA 0.013 4.653 4.640 -0.000 0.000 0.201 185 D C 2.165 178.599 176.300 0.223 0.000 0.972 185 D CA 1.192 55.340 54.000 0.246 0.000 0.835 185 D CB -0.043 40.945 40.800 0.313 0.000 0.966 185 D HN 0.415 nan 8.370 nan 0.000 0.476 186 I N 0.483 121.201 120.570 0.247 0.000 2.394 186 I HA -0.197 3.973 4.170 -0.000 0.000 0.251 186 I C 2.259 178.507 176.117 0.218 0.000 1.136 186 I CA 0.589 62.010 61.300 0.202 0.000 1.425 186 I CB -0.769 37.346 38.000 0.191 0.000 1.079 186 I HN 0.276 nan 8.210 nan 0.000 0.425 187 W N 1.998 123.362 121.300 0.106 0.000 2.355 187 W HA -0.225 4.435 4.660 -0.000 0.000 0.309 187 W C 2.508 179.120 176.519 0.155 0.000 1.206 187 W CA 1.781 59.195 57.345 0.116 0.000 1.284 187 W CB -0.316 29.203 29.460 0.098 0.000 1.145 187 W HN 0.088 nan 8.180 nan 0.000 0.502 188 S N 1.387 117.324 115.700 0.396 0.000 2.370 188 S HA -0.233 4.237 4.470 -0.000 0.000 0.226 188 S C 1.732 176.426 174.600 0.157 0.000 1.033 188 S CA 1.620 60.013 58.200 0.322 0.000 1.011 188 S CB -0.787 62.553 63.200 0.235 0.000 0.852 188 S HN 0.114 nan 8.310 nan 0.000 0.457 189 L N 1.690 122.970 121.223 0.095 0.000 2.017 189 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 189 L C 2.595 179.511 176.870 0.075 0.000 1.073 189 L CA 1.794 56.669 54.840 0.058 0.000 0.745 189 L CB -1.577 40.506 42.059 0.039 0.000 0.894 189 L HN 0.386 nan 8.230 nan 0.000 0.432 190 G N -1.607 107.203 108.800 0.015 0.000 2.440 190 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 190 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 190 G C 1.723 176.555 174.900 -0.113 0.000 1.154 190 G CA 1.112 46.190 45.100 -0.035 0.000 0.767 190 G HN 0.476 nan 8.290 nan 0.000 0.552 191 C N 0.381 119.581 119.300 -0.167 0.000 2.413 191 C HA 0.013 4.473 4.460 -0.000 0.000 0.276 191 C C 2.868 177.883 174.990 0.042 0.000 1.248 191 C CA 0.616 59.562 59.018 -0.120 0.000 1.742 191 C CB -0.974 26.814 27.740 0.081 0.000 2.017 191 C HN 0.485 nan 8.230 nan 0.000 0.481 192 I N 0.001 120.662 120.570 0.151 0.000 2.315 192 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 192 I C 2.443 178.662 176.117 0.169 0.000 1.117 192 I CA 1.352 62.746 61.300 0.156 0.000 1.404 192 I CB -0.606 37.437 38.000 0.071 0.000 1.071 192 I HN 0.253 nan 8.210 nan 0.000 0.419 193 F N 2.431 122.368 119.950 -0.022 0.000 2.095 193 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 193 F C 2.476 178.226 175.800 -0.084 0.000 1.104 193 F CA 1.380 59.363 58.000 -0.028 0.000 1.232 193 F CB -0.839 38.125 39.000 -0.061 0.000 0.987 193 F HN 0.018 nan 8.300 nan 0.000 0.475 194 A N -0.154 122.492 122.820 -0.291 0.000 1.933 194 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 194 A C 2.286 179.708 177.584 -0.270 0.000 1.175 194 A CA 1.658 53.423 52.037 -0.454 0.000 0.628 194 A CB -1.018 17.660 19.000 -0.537 0.000 0.814 194 A HN 0.566 nan 8.150 nan 0.000 0.444 195 E N -0.618 119.499 120.200 -0.139 0.000 2.077 195 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 195 E C 2.068 178.655 176.600 -0.021 0.000 0.989 195 E CA 1.395 57.756 56.400 -0.065 0.000 0.800 195 E CB -0.189 29.543 29.700 0.054 0.000 0.746 195 E HN 0.664 nan 8.360 nan 0.000 0.452 196 M N -0.083 119.544 119.600 0.045 0.000 2.117 196 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 196 M C 2.319 178.636 176.300 0.028 0.000 1.065 196 M CA 1.031 56.383 55.300 0.085 0.000 1.114 196 M CB -0.035 32.685 32.600 0.200 0.000 1.361 196 M HN 0.084 nan 8.290 nan 0.000 0.408 197 V N 0.125 120.027 119.914 -0.021 0.000 2.407 197 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 197 V C 2.484 178.511 176.094 -0.112 0.000 1.055 197 V CA 2.288 64.540 62.300 -0.081 0.000 1.049 197 V CB -1.118 30.570 31.823 -0.224 0.000 0.662 197 V HN 0.659 nan 8.190 nan 0.000 0.455 198 T N -3.582 110.886 114.554 -0.144 0.000 3.014 198 T HA 0.102 4.452 4.350 -0.000 0.000 0.250 198 T C 1.099 175.734 174.700 -0.109 0.000 1.060 198 T CA 0.302 62.315 62.100 -0.144 0.000 1.040 198 T CB 0.103 68.852 68.868 -0.198 0.000 0.971 198 T HN 0.497 nan 8.240 nan 0.000 0.497 199 R N 0.252 120.701 120.500 -0.085 0.000 3.892 199 R HA -0.106 4.234 4.340 -0.000 0.000 0.441 199 R C -0.551 175.710 176.300 -0.066 0.000 1.052 199 R CA 0.674 56.737 56.100 -0.062 0.000 1.190 199 R CB -1.900 28.363 30.300 -0.062 0.000 1.808 199 R HN 0.461 nan 8.270 nan 0.000 0.538 200 R N 0.336 120.775 120.500 -0.102 0.000 2.673 200 R HA 0.624 4.964 4.340 -0.000 0.000 0.281 200 R C -0.312 175.882 176.300 -0.176 0.000 0.991 200 R CA -0.255 55.768 56.100 -0.127 0.000 0.896 200 R CB 1.934 32.137 30.300 -0.161 0.000 1.201 200 R HN 0.147 nan 8.270 nan 0.000 0.457 201 A N 2.876 125.577 122.820 -0.199 0.000 2.561 201 A HA 0.001 4.321 4.320 -0.000 0.000 0.234 201 A C 1.304 178.615 177.584 -0.456 0.000 1.055 201 A CA -0.112 51.745 52.037 -0.300 0.000 0.756 201 A CB 0.227 18.850 19.000 -0.628 0.000 0.986 201 A HN 0.878 nan 8.150 nan 0.000 0.505 202 L N 0.788 121.697 121.223 -0.523 0.000 2.005 202 L HA 0.041 4.381 4.340 -0.000 0.000 0.207 202 L C -0.131 176.177 176.870 -0.936 0.000 1.072 202 L CA 1.432 55.769 54.840 -0.838 0.000 0.744 202 L CB -0.120 41.267 42.059 -1.121 0.000 0.895 202 L HN 0.730 nan 8.230 nan 0.000 0.433 203 F N 0.425 120.133 119.950 -0.404 0.000 2.686 203 F HA 0.329 4.856 4.527 -0.000 0.000 0.365 203 F C -2.135 173.277 175.800 -0.647 0.000 1.196 203 F CA -2.738 55.028 58.000 -0.389 0.000 1.198 203 F CB 0.503 39.384 39.000 -0.198 0.000 1.454 203 F HN -0.054 nan 8.300 nan 0.000 0.539 204 P HA 0.181 nan 4.420 nan 0.000 0.219 204 P C 0.595 177.552 177.300 -0.571 0.000 1.832 204 P CA 0.138 62.321 63.100 -1.527 0.000 1.014 204 P CB 0.487 31.285 31.700 -1.504 0.000 1.939 205 G N 1.265 109.930 108.800 -0.226 0.000 2.554 205 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.238 205 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.238 205 G C 0.517 175.506 174.900 0.149 0.000 1.259 205 G CA -0.226 44.872 45.100 -0.003 0.000 0.843 205 G HN 0.243 nan 8.290 nan 0.000 0.582 206 D N -1.072 119.371 120.400 0.072 0.000 2.366 206 D HA 0.093 4.733 4.640 -0.000 0.000 0.205 206 D C 1.198 177.524 176.300 0.042 0.000 1.022 206 D CA 1.178 55.225 54.000 0.080 0.000 0.868 206 D CB 0.528 41.354 40.800 0.043 0.000 0.953 206 D HN 0.478 nan 8.370 nan 0.000 0.514 207 S N -1.165 114.539 115.700 0.007 0.000 2.661 207 S HA 0.190 4.660 4.470 -0.000 0.000 0.268 207 S C 0.642 175.201 174.600 -0.068 0.000 1.162 207 S CA -0.786 57.396 58.200 -0.029 0.000 0.817 207 S CB 1.496 64.666 63.200 -0.050 0.000 1.141 207 S HN -0.106 nan 8.310 nan 0.000 0.477 208 E N -0.055 120.093 120.200 -0.086 0.000 2.077 208 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 208 E C 1.630 178.099 176.600 -0.220 0.000 0.989 208 E CA 1.230 57.557 56.400 -0.121 0.000 0.800 208 E CB -0.352 29.292 29.700 -0.094 0.000 0.746 208 E HN 0.492 nan 8.360 nan 0.000 0.452 209 I N 2.133 122.543 120.570 -0.267 0.000 2.353 209 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 209 I C 1.855 177.608 176.117 -0.606 0.000 1.119 209 I CA 1.422 62.413 61.300 -0.515 0.000 1.417 209 I CB -0.156 37.557 38.000 -0.477 0.000 1.078 209 I HN -0.064 nan 8.210 nan 0.000 0.421 210 D N -0.504 119.716 120.400 -0.300 0.000 2.117 210 D HA -0.256 4.384 4.640 -0.000 0.000 0.198 210 D C 2.128 178.338 176.300 -0.151 0.000 0.982 210 D CA 1.220 55.129 54.000 -0.152 0.000 0.828 210 D CB -0.074 40.691 40.800 -0.058 0.000 0.967 210 D HN 0.335 nan 8.370 nan 0.000 0.464 211 Q N 0.181 119.881 119.800 -0.167 0.000 2.002 211 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 211 Q C 2.313 178.132 176.000 -0.300 0.000 0.988 211 Q CA 1.446 57.152 55.803 -0.162 0.000 0.843 211 Q CB -0.692 27.985 28.738 -0.102 0.000 0.908 211 Q HN 0.395 nan 8.270 nan 0.000 0.420 212 L N -0.533 120.438 121.223 -0.420 0.000 2.043 212 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 212 L C 2.230 178.600 176.870 -0.833 0.000 1.075 212 L CA 1.124 55.528 54.840 -0.727 0.000 0.752 212 L CB -0.471 41.122 42.059 -0.777 0.000 0.891 212 L HN 0.304 nan 8.230 nan 0.000 0.432 213 F N 0.348 119.935 119.950 -0.605 0.000 2.134 213 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 213 F C 2.732 178.244 175.800 -0.479 0.000 1.097 213 F CA 1.220 58.988 58.000 -0.386 0.000 1.264 213 F CB -0.946 38.002 39.000 -0.087 0.000 1.001 213 F HN 0.039 nan 8.300 nan 0.000 0.479 214 R N 0.014 120.397 120.500 -0.194 0.000 2.096 214 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 214 R C 2.271 178.421 176.300 -0.251 0.000 1.127 214 R CA 1.322 57.304 56.100 -0.197 0.000 0.968 214 R CB -0.423 29.824 30.300 -0.089 0.000 0.861 214 R HN 0.269 nan 8.270 nan 0.000 0.440 215 I N -0.081 120.186 120.570 -0.504 0.000 2.179 215 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 215 I C 1.739 177.799 176.117 -0.095 0.000 1.088 215 I CA 1.128 61.990 61.300 -0.730 0.000 1.357 215 I CB -0.317 37.276 38.000 -0.678 0.000 1.051 215 I HN 0.039 nan 8.210 nan 0.000 0.409 216 F N 1.307 121.217 119.950 -0.067 0.000 2.126 216 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 216 F C 2.701 178.431 175.800 -0.117 0.000 1.096 216 F CA 1.232 59.276 58.000 0.072 0.000 1.255 216 F CB -1.224 37.917 39.000 0.236 0.000 0.997 216 F HN -0.023 nan 8.300 nan 0.000 0.479 217 R N -0.632 119.623 120.500 -0.409 0.000 2.127 217 R HA -0.130 4.210 4.340 -0.000 0.000 0.238 217 R C 2.000 178.182 176.300 -0.198 0.000 1.134 217 R CA 1.889 57.552 56.100 -0.728 0.000 0.975 217 R CB -0.405 29.375 30.300 -0.867 0.000 0.865 217 R HN 0.267 nan 8.270 nan 0.000 0.447 218 T N 0.256 114.802 114.554 -0.014 0.000 2.925 218 T HA 0.079 4.429 4.350 -0.000 0.000 0.245 218 T C 1.664 176.491 174.700 0.211 0.000 1.025 218 T CA 0.587 62.760 62.100 0.122 0.000 1.149 218 T CB 0.096 69.141 68.868 0.295 0.000 0.866 218 T HN 0.098 nan 8.240 nan 0.000 0.437 219 L N 0.470 121.855 121.223 0.269 0.000 2.446 219 L HA 0.353 4.693 4.340 -0.000 0.000 0.219 219 L C 1.262 178.359 176.870 0.378 0.000 1.116 219 L CA 0.018 55.052 54.840 0.322 0.000 0.844 219 L CB -0.562 41.635 42.059 0.230 0.000 0.970 219 L HN 0.500 nan 8.230 nan 0.000 0.457 220 G N -0.027 108.994 108.800 0.368 0.000 2.629 220 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.686 220 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.686 220 G C -0.394 174.664 174.900 0.264 0.000 1.232 220 G CA -0.900 44.383 45.100 0.305 0.000 0.803 220 G HN -0.098 nan 8.290 nan 0.000 0.638 221 T N 4.078 118.664 114.554 0.053 0.000 2.814 221 T HA 0.522 4.872 4.350 -0.000 0.000 0.297 221 T C -1.570 172.921 174.700 -0.348 0.000 0.956 221 T CA -0.117 61.736 62.100 -0.412 0.000 1.123 221 T CB 1.285 69.917 68.868 -0.393 0.000 0.902 221 T HN 0.624 nan 8.240 nan 0.000 0.528 222 P HA 0.225 nan 4.420 nan 0.000 0.271 222 P C -0.834 176.363 177.300 -0.172 0.000 1.216 222 P CA -0.358 62.490 63.100 -0.419 0.000 0.771 222 P CB 0.722 32.083 31.700 -0.565 0.000 0.864 223 D N 0.751 121.097 120.400 -0.090 0.000 2.621 223 D HA 0.163 4.803 4.640 -0.000 0.000 0.255 223 D C 0.845 177.107 176.300 -0.062 0.000 1.122 223 D CA -0.661 53.294 54.000 -0.075 0.000 1.096 223 D CB 0.425 41.199 40.800 -0.044 0.000 1.282 223 D HN 0.163 nan 8.370 nan 0.000 0.619 224 E N -0.593 119.556 120.200 -0.084 0.000 2.268 224 E HA -0.033 4.317 4.350 -0.000 0.000 0.195 224 E C 1.908 178.515 176.600 0.011 0.000 0.995 224 E CA 0.506 56.868 56.400 -0.064 0.000 0.836 224 E CB 0.029 29.675 29.700 -0.091 0.000 0.763 224 E HN 0.324 nan 8.360 nan 0.000 0.491 225 V N 0.372 120.298 119.914 0.020 0.000 2.591 225 V HA -0.123 3.997 4.120 -0.000 0.000 0.249 225 V C 2.327 178.476 176.094 0.091 0.000 1.053 225 V CA 0.811 63.139 62.300 0.046 0.000 1.068 225 V CB -0.090 31.753 31.823 0.033 0.000 0.689 225 V HN 0.061 nan 8.190 nan 0.000 0.462 226 V N -1.737 118.242 119.914 0.107 0.000 2.379 226 V HA -0.008 4.112 4.120 -0.000 0.000 0.243 226 V C 0.694 176.969 176.094 0.302 0.000 1.035 226 V CA 1.194 63.596 62.300 0.169 0.000 1.035 226 V CB 0.338 32.245 31.823 0.139 0.000 0.673 226 V HN 0.758 nan 8.190 nan 0.000 0.457 227 W N 2.267 123.585 121.300 0.029 0.000 2.237 227 W HA 0.454 5.114 4.660 -0.000 0.000 0.289 227 W C -3.078 173.444 176.519 0.005 0.000 0.988 227 W CA -3.524 53.854 57.345 0.055 0.000 1.671 227 W CB 0.245 29.737 29.460 0.053 0.000 1.746 227 W HN 0.104 nan 8.180 nan 0.000 0.380 228 P HA 0.148 nan 4.420 nan 0.000 0.255 228 P C 0.931 178.243 177.300 0.021 0.000 1.173 228 P CA 2.604 65.760 63.100 0.094 0.000 0.780 228 P CB 0.320 32.092 31.700 0.121 0.000 0.758 229 G N 1.687 110.395 108.800 -0.153 0.000 2.428 229 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.199 229 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.199 229 G C 0.951 175.559 174.900 -0.486 0.000 1.005 229 G CA 0.083 45.036 45.100 -0.244 0.000 0.671 229 G HN 0.342 nan 8.290 nan 0.000 0.485 230 V N 0.872 120.330 119.914 -0.759 0.000 2.233 230 V HA -0.226 3.894 4.120 -0.000 0.000 0.252 230 V C 3.157 178.736 176.094 -0.859 0.000 1.063 230 V CA 3.712 65.458 62.300 -0.924 0.000 1.032 230 V CB -2.234 29.119 31.823 -0.783 0.000 0.645 230 V HN 1.218 nan 8.190 nan 0.000 0.446 231 T N -1.218 112.760 114.554 -0.960 0.000 2.869 231 T HA -0.182 4.168 4.350 -0.000 0.000 0.270 231 T C 1.634 175.953 174.700 -0.635 0.000 1.082 231 T CA 1.920 63.291 62.100 -1.213 0.000 1.123 231 T CB -0.695 67.743 68.868 -0.717 0.000 0.856 231 T HN 0.605 nan 8.240 nan 0.000 0.499 232 S N 0.890 116.341 115.700 -0.416 0.000 2.524 232 S HA 0.365 4.835 4.470 -0.000 0.000 0.216 232 S C 0.849 175.351 174.600 -0.163 0.000 0.987 232 S CA -0.262 57.801 58.200 -0.228 0.000 0.909 232 S CB -0.335 62.761 63.200 -0.172 0.000 0.781 232 S HN 0.531 nan 8.310 nan 0.000 0.521 233 M N 1.944 121.426 119.600 -0.198 0.000 2.252 233 M HA 0.081 4.561 4.480 -0.000 0.000 0.329 233 M C -1.711 174.579 176.300 -0.017 0.000 1.101 233 M CA -1.134 54.103 55.300 -0.105 0.000 1.117 233 M CB -0.519 31.996 32.600 -0.142 0.000 1.563 233 M HN -0.130 nan 8.290 nan 0.000 0.445 234 P HA -0.174 nan 4.420 nan 0.000 0.218 234 P C 0.054 177.363 177.300 0.016 0.000 1.146 234 P CA 1.431 64.528 63.100 -0.005 0.000 0.813 234 P CB 0.158 31.850 31.700 -0.013 0.000 0.778 235 D N -3.825 116.605 120.400 0.051 0.000 2.535 235 D HA 0.056 4.696 4.640 -0.000 0.000 0.229 235 D C -0.100 176.261 176.300 0.102 0.000 1.238 235 D CA -0.352 53.685 54.000 0.061 0.000 0.824 235 D CB 0.053 40.891 40.800 0.063 0.000 1.045 235 D HN 0.192 nan 8.370 nan 0.000 0.500 236 Y N 2.200 122.476 120.300 -0.040 0.000 2.346 236 Y HA 0.236 4.786 4.550 -0.000 0.000 0.330 236 Y C -0.182 175.412 175.900 -0.510 0.000 1.178 236 Y CA 0.137 58.146 58.100 -0.152 0.000 1.331 236 Y CB 0.652 39.031 38.460 -0.136 0.000 1.253 236 Y HN -0.361 nan 8.280 nan 0.000 0.529 237 K N 7.062 126.277 120.400 -1.976 0.000 2.443 237 K HA 0.276 4.596 4.320 -0.000 0.000 0.252 237 K C -2.339 173.531 176.600 -1.217 0.000 0.933 237 K CA -1.870 53.676 56.287 -1.234 0.000 0.792 237 K CB 2.194 34.076 32.500 -1.029 0.000 1.185 237 K HN 0.327 nan 8.250 nan 0.000 0.425 238 P HA -0.141 nan 4.420 nan 0.000 0.223 238 P C 0.669 177.863 177.300 -0.177 0.000 1.151 238 P CA 0.905 63.923 63.100 -0.137 0.000 0.787 238 P CB 0.234 31.913 31.700 -0.036 0.000 0.788 239 S N -1.969 113.600 115.700 -0.218 0.000 2.507 239 S HA -0.057 4.413 4.470 -0.000 0.000 0.235 239 S C 0.686 175.296 174.600 0.017 0.000 0.988 239 S CA 0.061 58.205 58.200 -0.093 0.000 0.944 239 S CB -1.191 61.977 63.200 -0.054 0.000 0.762 239 S HN -0.101 nan 8.310 nan 0.000 0.526 240 F N 3.682 123.559 119.950 -0.122 0.000 2.623 240 F HA 0.252 4.779 4.527 -0.000 0.000 0.383 240 F C -2.018 173.612 175.800 -0.283 0.000 1.077 240 F CA -2.613 55.338 58.000 -0.081 0.000 1.268 240 F CB -0.791 38.120 39.000 -0.148 0.000 1.053 240 F HN 0.028 nan 8.300 nan 0.000 0.571 241 P HA 0.008 nan 4.420 nan 0.000 0.268 241 P C -0.617 176.281 177.300 -0.669 0.000 1.208 241 P CA -0.033 62.610 63.100 -0.761 0.000 0.777 241 P CB 0.520 31.253 31.700 -1.612 0.000 0.875 242 K N 2.503 122.577 120.400 -0.542 0.000 2.292 242 K HA 0.308 4.628 4.320 -0.000 0.000 0.270 242 K C -0.545 175.877 176.600 -0.298 0.000 1.062 242 K CA -0.066 56.034 56.287 -0.311 0.000 0.916 242 K CB 0.160 32.549 32.500 -0.184 0.000 1.166 242 K HN 0.452 nan 8.250 nan 0.000 0.458 243 W N 0.884 122.131 121.300 -0.089 0.000 2.594 243 W HA 0.685 5.345 4.660 -0.000 0.000 0.365 243 W C 0.028 176.542 176.519 -0.009 0.000 1.196 243 W CA -1.124 56.200 57.345 -0.036 0.000 1.258 243 W CB 1.546 31.005 29.460 -0.003 0.000 1.405 243 W HN 0.403 nan 8.180 nan 0.000 0.640 244 A N 1.376 124.384 122.820 0.314 0.000 2.337 244 A HA 0.597 4.917 4.320 -0.000 0.000 0.331 244 A C -0.314 177.375 177.584 0.175 0.000 1.137 244 A CA -0.865 51.283 52.037 0.186 0.000 0.807 244 A CB 1.171 20.248 19.000 0.128 0.000 1.250 244 A HN 0.621 nan 8.150 nan 0.000 0.468 245 R N 1.274 121.864 120.500 0.151 0.000 2.489 245 R HA 0.161 4.501 4.340 -0.000 0.000 0.287 245 R C 0.072 176.446 176.300 0.124 0.000 1.053 245 R CA 0.038 56.230 56.100 0.153 0.000 1.036 245 R CB 0.369 30.744 30.300 0.125 0.000 0.966 245 R HN 0.865 nan 8.270 nan 0.000 0.432 246 Q N 2.565 122.449 119.800 0.139 0.000 2.199 246 Q HA 0.204 4.544 4.340 -0.000 0.000 0.232 246 Q C -0.815 175.277 176.000 0.154 0.000 0.969 246 Q CA -0.941 54.931 55.803 0.114 0.000 0.925 246 Q CB 0.707 29.489 28.738 0.074 0.000 1.198 246 Q HN 0.466 nan 8.270 nan 0.000 0.494 247 D N 0.577 121.043 120.400 0.110 0.000 2.417 247 D HA 0.025 4.665 4.640 -0.000 0.000 0.250 247 D C 0.060 176.486 176.300 0.210 0.000 1.166 247 D CA 0.025 54.097 54.000 0.119 0.000 0.881 247 D CB 0.279 41.116 40.800 0.062 0.000 1.164 247 D HN 0.383 nan 8.370 nan 0.000 0.467 248 F N 1.146 121.063 119.950 -0.054 0.000 2.451 248 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 248 F C 2.558 178.302 175.800 -0.094 0.000 1.101 248 F CA 0.612 58.559 58.000 -0.089 0.000 1.436 248 F CB -0.668 38.272 39.000 -0.099 0.000 1.074 248 F HN 0.325 nan 8.300 nan 0.000 0.553 249 S N -0.613 115.158 115.700 0.117 0.000 2.423 249 S HA -0.170 4.300 4.470 -0.000 0.000 0.231 249 S C 1.863 176.458 174.600 -0.008 0.000 1.014 249 S CA 0.985 59.205 58.200 0.034 0.000 0.965 249 S CB -0.333 62.885 63.200 0.030 0.000 0.785 249 S HN 0.403 nan 8.310 nan 0.000 0.495 250 K N 0.298 120.697 120.400 -0.002 0.000 2.284 250 K HA 0.251 4.571 4.320 -0.000 0.000 0.198 250 K C 1.886 178.432 176.600 -0.091 0.000 1.048 250 K CA 0.619 56.884 56.287 -0.036 0.000 0.987 250 K CB 0.032 32.522 32.500 -0.016 0.000 0.800 250 K HN 0.232 nan 8.250 nan 0.000 0.486 251 V N 1.255 121.095 119.914 -0.124 0.000 2.323 251 V HA -0.095 4.025 4.120 -0.000 0.000 0.244 251 V C 1.052 176.956 176.094 -0.317 0.000 1.041 251 V CA 1.039 63.183 62.300 -0.261 0.000 1.025 251 V CB 0.099 31.650 31.823 -0.452 0.000 0.656 251 V HN 0.121 nan 8.190 nan 0.000 0.451 252 V N -3.156 116.578 119.914 -0.299 0.000 2.383 252 V HA 0.433 4.553 4.120 -0.000 0.000 0.264 252 V C -2.080 173.905 176.094 -0.182 0.000 1.001 252 V CA -1.553 60.570 62.300 -0.296 0.000 0.828 252 V CB 0.697 32.266 31.823 -0.423 0.000 1.069 252 V HN 0.149 nan 8.190 nan 0.000 0.451 253 P HA -0.026 nan 4.420 nan 0.000 0.216 253 P C -1.245 176.013 177.300 -0.069 0.000 1.153 253 P CA 1.898 64.945 63.100 -0.089 0.000 0.858 253 P CB -0.734 30.918 31.700 -0.081 0.000 0.789 254 P HA 0.018 nan 4.420 nan 0.000 0.231 254 P C 0.095 177.379 177.300 -0.027 0.000 1.168 254 P CA 0.390 63.462 63.100 -0.046 0.000 0.779 254 P CB -0.068 31.604 31.700 -0.047 0.000 0.844 255 L N 1.979 123.168 121.223 -0.058 0.000 2.416 255 L HA 0.119 4.459 4.340 -0.000 0.000 0.272 255 L C 0.840 177.719 176.870 0.014 0.000 1.161 255 L CA -0.241 54.584 54.840 -0.026 0.000 0.845 255 L CB -0.193 41.785 42.059 -0.134 0.000 1.119 255 L HN 0.041 nan 8.230 nan 0.000 0.464 256 D N 3.354 123.798 120.400 0.073 0.000 2.414 256 D HA -0.002 4.638 4.640 -0.000 0.000 0.251 256 D C 0.736 177.079 176.300 0.073 0.000 1.252 256 D CA -0.284 53.761 54.000 0.075 0.000 0.999 256 D CB 0.463 41.322 40.800 0.099 0.000 1.093 256 D HN 0.533 nan 8.370 nan 0.000 0.515 257 E N 0.046 120.288 120.200 0.070 0.000 2.160 257 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 257 E C 1.102 177.761 176.600 0.099 0.000 0.991 257 E CA 1.094 57.535 56.400 0.068 0.000 0.810 257 E CB -0.272 29.461 29.700 0.054 0.000 0.742 257 E HN 0.496 nan 8.360 nan 0.000 0.466 258 D N 0.666 121.156 120.400 0.150 0.000 2.120 258 D HA -0.034 4.606 4.640 -0.000 0.000 0.202 258 D C 2.093 178.464 176.300 0.119 0.000 0.972 258 D CA 1.504 55.648 54.000 0.241 0.000 0.837 258 D CB -0.492 40.502 40.800 0.323 0.000 0.989 258 D HN 0.331 nan 8.370 nan 0.000 0.469 259 G N 0.566 109.396 108.800 0.051 0.000 2.432 259 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 259 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 259 G C 1.735 176.497 174.900 -0.231 0.000 1.135 259 G CA 0.268 45.125 45.100 -0.405 0.000 0.767 259 G HN 0.218 nan 8.290 nan 0.000 0.550 260 R N 0.243 120.707 120.500 -0.059 0.000 2.090 260 R HA -0.005 4.335 4.340 -0.000 0.000 0.228 260 R C 2.891 179.229 176.300 0.064 0.000 1.110 260 R CA 1.204 57.333 56.100 0.049 0.000 0.973 260 R CB -0.453 29.904 30.300 0.096 0.000 0.869 260 R HN 0.407 nan 8.270 nan 0.000 0.440 261 S N 1.215 116.930 115.700 0.025 0.000 2.359 261 S HA -0.148 4.322 4.470 -0.000 0.000 0.224 261 S C 1.950 176.552 174.600 0.003 0.000 1.035 261 S CA 1.140 59.377 58.200 0.062 0.000 1.018 261 S CB -0.196 63.144 63.200 0.234 0.000 0.876 261 S HN 0.216 nan 8.310 nan 0.000 0.448 262 L N 1.374 122.430 121.223 -0.279 0.000 2.012 262 L HA 0.032 4.372 4.340 -0.000 0.000 0.210 262 L C 2.233 179.064 176.870 -0.063 0.000 1.073 262 L CA 1.846 56.438 54.840 -0.413 0.000 0.748 262 L CB -1.141 40.461 42.059 -0.763 0.000 0.891 262 L HN 0.455 nan 8.230 nan 0.000 0.431 263 L N -0.457 120.776 121.223 0.018 0.000 1.989 263 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 263 L C 2.698 179.706 176.870 0.228 0.000 1.071 263 L CA 2.329 57.232 54.840 0.104 0.000 0.749 263 L CB -0.988 41.023 42.059 -0.080 0.000 0.890 263 L HN 0.551 nan 8.230 nan 0.000 0.431 264 S N -1.335 114.543 115.700 0.298 0.000 2.400 264 S HA -0.258 4.212 4.470 -0.000 0.000 0.232 264 S C 1.795 176.448 174.600 0.088 0.000 1.025 264 S CA 1.368 59.622 58.200 0.091 0.000 0.993 264 S CB -0.657 62.311 63.200 -0.386 0.000 0.808 264 S HN 0.650 nan 8.310 nan 0.000 0.478 265 Q N 0.551 120.417 119.800 0.111 0.000 2.172 265 Q HA 0.174 4.514 4.340 -0.000 0.000 0.200 265 Q C 2.095 178.188 176.000 0.155 0.000 0.964 265 Q CA 1.022 56.923 55.803 0.163 0.000 0.855 265 Q CB -0.362 28.465 28.738 0.147 0.000 0.918 265 Q HN 0.599 nan 8.270 nan 0.000 0.444 266 M N -0.130 119.536 119.600 0.110 0.000 2.419 266 M HA -0.016 4.464 4.480 -0.000 0.000 0.264 266 M C 1.273 177.599 176.300 0.044 0.000 1.082 266 M CA 0.939 56.292 55.300 0.087 0.000 1.119 266 M CB 0.325 32.963 32.600 0.063 0.000 1.398 266 M HN 0.147 nan 8.290 nan 0.000 0.453 267 L N -0.968 120.259 121.223 0.005 0.000 2.700 267 L HA 0.129 4.469 4.340 -0.000 0.000 0.234 267 L C 0.715 177.653 176.870 0.114 0.000 1.156 267 L CA -0.336 54.421 54.840 -0.139 0.000 0.946 267 L CB -0.496 41.450 42.059 -0.190 0.000 1.216 267 L HN 0.226 nan 8.230 nan 0.000 0.493 268 H N -0.277 118.839 119.070 0.077 0.000 3.034 268 H HA -0.099 4.457 4.556 -0.000 0.000 0.324 268 H C 0.506 175.855 175.328 0.035 0.000 1.015 268 H CA 0.841 56.921 56.048 0.054 0.000 1.429 268 H CB 0.859 30.650 29.762 0.047 0.000 1.429 268 H HN 0.060 nan 8.280 nan 0.000 0.585 269 Y N 1.799 122.139 120.300 0.068 0.000 2.145 269 Y HA -0.184 4.366 4.550 -0.000 0.000 0.286 269 Y C 1.482 176.927 175.900 -0.758 0.000 1.145 269 Y CA 1.469 59.459 58.100 -0.183 0.000 1.148 269 Y CB -0.063 38.402 38.460 0.008 0.000 0.981 269 Y HN 0.595 nan 8.280 nan 0.000 0.507 270 D N 1.456 121.726 120.400 -0.217 0.000 2.348 270 D HA 0.005 4.645 4.640 -0.000 0.000 0.259 270 D C -1.797 174.325 176.300 -0.298 0.000 1.296 270 D CA -1.704 51.998 54.000 -0.496 0.000 0.931 270 D CB 0.927 41.730 40.800 0.005 0.000 1.067 270 D HN 0.100 nan 8.370 nan 0.000 0.503 271 P HA -0.148 nan 4.420 nan 0.000 0.218 271 P C 0.740 177.994 177.300 -0.077 0.000 1.146 271 P CA 0.817 63.825 63.100 -0.154 0.000 0.813 271 P CB 0.409 32.050 31.700 -0.098 0.000 0.778 272 N N -0.803 117.863 118.700 -0.057 0.000 2.463 272 N HA -0.043 4.697 4.740 -0.000 0.000 0.181 272 N C 1.220 176.685 175.510 -0.076 0.000 1.078 272 N CA 0.735 53.768 53.050 -0.029 0.000 0.902 272 N CB -0.067 38.431 38.487 0.017 0.000 0.970 272 N HN 0.120 nan 8.380 nan 0.000 0.451 273 K N 0.016 120.320 120.400 -0.160 0.000 2.380 273 K HA 0.130 4.450 4.320 -0.000 0.000 0.198 273 K C 0.538 176.875 176.600 -0.439 0.000 1.070 273 K CA -0.167 55.921 56.287 -0.333 0.000 1.040 273 K CB 0.727 32.938 32.500 -0.482 0.000 0.903 273 K HN 0.080 nan 8.250 nan 0.000 0.549 274 R N 1.753 122.117 120.500 -0.227 0.000 2.570 274 R HA 0.118 4.458 4.340 -0.000 0.000 0.277 274 R C 0.260 176.554 176.300 -0.010 0.000 1.039 274 R CA -0.089 55.981 56.100 -0.050 0.000 1.065 274 R CB 0.146 30.491 30.300 0.074 0.000 0.964 274 R HN 0.060 nan 8.270 nan 0.000 0.428 275 I N 2.983 123.577 120.570 0.040 0.000 3.003 275 I HA -0.129 4.041 4.170 -0.000 0.000 0.294 275 I C 0.156 176.328 176.117 0.091 0.000 1.237 275 I CA 0.806 62.149 61.300 0.072 0.000 1.417 275 I CB 0.635 38.703 38.000 0.113 0.000 1.340 275 I HN 0.837 nan 8.210 nan 0.000 0.594 276 S N 5.363 121.122 115.700 0.098 0.000 2.651 276 S HA 0.580 5.050 4.470 -0.000 0.000 0.291 276 S C 0.785 175.463 174.600 0.130 0.000 1.141 276 S CA -0.278 57.995 58.200 0.121 0.000 1.027 276 S CB 1.740 65.005 63.200 0.109 0.000 1.043 276 S HN 0.812 nan 8.310 nan 0.000 0.530 277 A N 1.936 124.842 122.820 0.144 0.000 1.892 277 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 277 A C 2.108 179.731 177.584 0.065 0.000 1.188 277 A CA 2.019 54.105 52.037 0.081 0.000 0.631 277 A CB -1.106 17.911 19.000 0.028 0.000 0.822 277 A HN 0.969 nan 8.150 nan 0.000 0.447 278 K N -0.432 120.019 120.400 0.085 0.000 2.089 278 K HA -0.200 4.120 4.320 -0.000 0.000 0.210 278 K C 2.101 178.755 176.600 0.089 0.000 1.048 278 K CA 1.623 57.954 56.287 0.074 0.000 0.926 278 K CB -0.341 32.211 32.500 0.086 0.000 0.714 278 K HN 0.409 nan 8.250 nan 0.000 0.448 279 A N 0.718 123.603 122.820 0.109 0.000 1.898 279 A HA 0.047 4.367 4.320 -0.000 0.000 0.214 279 A C 2.304 180.000 177.584 0.188 0.000 1.183 279 A CA 1.430 53.545 52.037 0.130 0.000 0.622 279 A CB -0.656 18.414 19.000 0.116 0.000 0.824 279 A HN 0.470 nan 8.150 nan 0.000 0.444 280 A N -0.078 122.861 122.820 0.197 0.000 1.978 280 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 280 A C 2.059 179.889 177.584 0.411 0.000 1.170 280 A CA 1.493 53.708 52.037 0.296 0.000 0.636 280 A CB -0.650 18.490 19.000 0.233 0.000 0.810 280 A HN 0.479 nan 8.150 nan 0.000 0.448 281 L N -1.106 120.243 121.223 0.211 0.000 2.265 281 L HA -0.171 4.169 4.340 -0.000 0.000 0.215 281 L C 2.861 179.929 176.870 0.330 0.000 1.117 281 L CA 0.783 55.704 54.840 0.135 0.000 0.782 281 L CB -0.326 41.703 42.059 -0.050 0.000 0.914 281 L HN 0.459 nan 8.230 nan 0.000 0.441 282 A N -2.066 120.933 122.820 0.299 0.000 2.021 282 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 282 A C 1.127 178.900 177.584 0.316 0.000 1.163 282 A CA 0.067 52.259 52.037 0.258 0.000 0.676 282 A CB -0.500 18.602 19.000 0.170 0.000 0.818 282 A HN 0.318 nan 8.150 nan 0.000 0.453 283 H N 1.163 120.429 119.070 0.327 0.000 3.152 283 H HA -0.028 4.528 4.556 -0.000 0.000 0.319 283 H C -1.454 174.021 175.328 0.245 0.000 0.994 283 H CA -0.207 56.008 56.048 0.278 0.000 1.370 283 H CB 0.929 30.861 29.762 0.285 0.000 1.322 283 H HN 0.145 nan 8.280 nan 0.000 0.590 284 P HA -0.182 nan 4.420 nan 0.000 0.226 284 P C 1.489 178.914 177.300 0.207 0.000 1.146 284 P CA 0.767 63.924 63.100 0.094 0.000 0.773 284 P CB -0.259 31.426 31.700 -0.025 0.000 0.772 285 F N 0.391 120.484 119.950 0.238 0.000 2.269 285 F HA -0.104 4.423 4.527 -0.000 0.000 0.301 285 F C 1.417 177.019 175.800 -0.330 0.000 1.082 285 F CA 1.249 59.174 58.000 -0.125 0.000 1.360 285 F CB -0.614 38.130 39.000 -0.428 0.000 1.041 285 F HN -0.252 nan 8.300 nan 0.000 0.512 286 F N -0.091 119.863 119.950 0.007 0.000 2.727 286 F HA 0.185 4.712 4.527 -0.000 0.000 0.302 286 F C 1.777 177.434 175.800 -0.238 0.000 1.097 286 F CA 0.038 57.900 58.000 -0.230 0.000 1.330 286 F CB -0.961 37.978 39.000 -0.101 0.000 1.084 286 F HN -0.084 nan 8.300 nan 0.000 0.578 287 Q N 1.012 120.813 119.800 0.001 0.000 2.541 287 Q HA -0.113 4.227 4.340 -0.000 0.000 0.216 287 Q C 0.145 176.101 176.000 -0.074 0.000 0.968 287 Q CA 0.914 56.706 55.803 -0.018 0.000 0.989 287 Q CB -0.351 28.391 28.738 0.007 0.000 0.991 287 Q HN 0.502 nan 8.270 nan 0.000 0.549 288 D N -3.446 116.874 120.400 -0.133 0.000 2.672 288 D HA -0.023 4.617 4.640 -0.000 0.000 0.321 288 D C 0.205 176.403 176.300 -0.169 0.000 1.496 288 D CA -0.257 53.664 54.000 -0.131 0.000 0.901 288 D CB -0.717 40.012 40.800 -0.118 0.000 1.441 288 D HN -0.003 nan 8.370 nan 0.000 0.423 289 V N 1.851 121.624 119.914 -0.234 0.000 3.083 289 V HA 0.324 4.444 4.120 -0.000 0.000 0.303 289 V C 0.529 176.510 176.094 -0.189 0.000 1.151 289 V CA 1.637 63.781 62.300 -0.261 0.000 1.275 289 V CB 0.865 32.396 31.823 -0.486 0.000 0.950 289 V HN 0.665 nan 8.190 nan 0.000 0.506 290 T N 2.716 117.192 114.554 -0.129 0.000 2.654 290 T HA 0.502 4.852 4.350 -0.000 0.000 0.289 290 T C -0.599 174.078 174.700 -0.039 0.000 1.062 290 T CA -0.596 61.458 62.100 -0.077 0.000 1.041 290 T CB 1.546 70.377 68.868 -0.063 0.000 1.417 290 T HN 0.679 nan 8.240 nan 0.000 0.510 291 K N 1.596 121.986 120.400 -0.016 0.000 2.954 291 K HA 0.458 4.778 4.320 -0.000 0.000 0.171 291 K C -2.666 173.933 176.600 -0.002 0.000 1.079 291 K CA -1.534 54.759 56.287 0.010 0.000 0.908 291 K CB 0.139 32.658 32.500 0.032 0.000 1.142 291 K HN 0.384 nan 8.250 nan 0.000 0.613 292 P HA -0.035 nan 4.420 nan 0.000 0.271 292 P C -0.830 176.455 177.300 -0.025 0.000 1.233 292 P CA -0.567 62.515 63.100 -0.030 0.000 0.789 292 P CB 0.671 32.337 31.700 -0.056 0.000 0.951 293 V N -1.539 118.369 119.914 -0.010 0.000 2.547 293 V HA 0.648 4.768 4.120 -0.000 0.000 0.299 293 V C -2.167 173.930 176.094 0.005 0.000 1.040 293 V CA -2.254 60.044 62.300 -0.003 0.000 0.913 293 V CB 1.068 32.894 31.823 0.005 0.000 0.992 293 V HN 0.474 nan 8.190 nan 0.000 0.449 294 P HA 0.253 nan 4.420 nan 0.000 0.278 294 P C -0.971 176.400 177.300 0.118 0.000 1.258 294 P CA -0.220 62.901 63.100 0.036 0.000 0.811 294 P CB 0.716 32.283 31.700 -0.222 0.000 1.063 295 H N 2.195 121.373 119.070 0.181 0.000 2.700 295 H HA 0.291 4.847 4.556 -0.000 0.000 0.269 295 H C -0.688 174.769 175.328 0.214 0.000 1.222 295 H CA -0.448 55.684 56.048 0.140 0.000 1.254 295 H CB -0.149 29.682 29.762 0.114 0.000 1.413 295 H HN 0.258 nan 8.280 nan 0.000 0.507 296 L N 4.596 125.719 121.223 -0.166 0.000 2.349 296 L HA 0.263 4.603 4.340 -0.000 0.000 0.275 296 L C 0.768 177.482 176.870 -0.261 0.000 1.115 296 L CA -0.418 54.370 54.840 -0.087 0.000 0.820 296 L CB 0.969 42.956 42.059 -0.119 0.000 1.135 296 L HN 0.475 nan 8.230 nan 0.000 0.445 297 R N 3.113 123.568 120.500 -0.074 0.000 4.231 297 R HA 0.356 4.696 4.340 -0.000 0.000 0.250 297 R C -0.278 176.016 176.300 -0.011 0.000 1.600 297 R CA -0.160 55.903 56.100 -0.061 0.000 1.523 297 R CB -0.169 30.170 30.300 0.064 0.000 1.422 297 R HN 0.471 nan 8.270 nan 0.000 0.759 298 L N 0.000 121.201 121.223 -0.036 0.000 2.949 298 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 298 L CA 0.000 54.849 54.840 0.015 0.000 0.813 298 L CB 0.000 42.070 42.059 0.018 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502