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 3gzn_1_A DATA FIRST_RESID 15 DATA SEQUENCE LKEQKYDRQL RLWGDHGQEA LESAHVCLIN ATATGTEILK NLVLPGIGSF DATA SEQUENCE TIIDGNQVSG EDAGNNFFLQ RSSIGKNRAE AAMEFLQELN SDVSGSFVEE DATA SEQUENCE SPENLLDNDP SFFCRFTVVV ATQLPESTSL RLADVLWNSQ IPLLICRTYG DATA SEQUENCE LVGYMRIIIK EHPVIESHPD NALEDLRLDK PFPELREHFQ SYDLDHMEKK DATA SEQUENCE DHSHTPWIVI IAKYLAQWYS ETNGRIPKTY KEKEDFRDLI RQGILKNENG DATA SEQUENCE APEDEENFEE AIKNVNTALN TTQIPSSIED IFNDDRCINI TKQTPSFWIL DATA SEQUENCE ARALKEFVAK EGQGNLPVRG TIPDMIADSG KYIKLQNVYR EKAKKDAAAV DATA SEQUENCE GNHVAKLLQS IGQAPESISE KELKLLCSNS AFLRVVRCRS LAEEYGLDTI DATA SEQUENCE NKDEIISSMD NPDNEIVLYL MLRAVDRFHK QQGRYPGVSN YQVEEDIGKL DATA SEQUENCE KSCLTGFLQE YGLSVMVKDD YVHEFCRYGA AEPHTIAAFL GGAAAQEVIK DATA SEQUENCE IITKQFVIFN NTYIYSGMSQ TSATFQL 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 15 L HA 0.000 nan 4.340 nan 0.000 0.249 15 L C 0.000 176.878 176.870 0.013 0.000 1.165 15 L CA 0.000 54.852 54.840 0.021 0.000 0.813 15 L CB 0.000 42.077 42.059 0.030 0.000 0.961 16 K N 1.260 121.660 120.400 -0.000 0.000 2.142 16 K HA 0.559 4.880 4.320 0.001 0.000 0.250 16 K C 0.640 177.221 176.600 -0.032 0.000 1.148 16 K CA 0.342 56.613 56.287 -0.025 0.000 1.040 16 K CB -0.266 32.204 32.500 -0.050 0.000 1.569 16 K HN 1.458 nan 8.250 nan 0.000 0.361 17 E N -0.100 120.105 120.200 0.008 0.000 2.463 17 E HA -0.046 4.305 4.350 0.001 0.000 0.193 17 E C 1.024 177.636 176.600 0.021 0.000 1.041 17 E CA -0.299 56.129 56.400 0.048 0.000 0.879 17 E CB 0.434 30.183 29.700 0.082 0.000 0.997 17 E HN 0.461 nan 8.360 nan 0.000 0.478 18 Q N 1.377 121.165 119.800 -0.019 0.000 2.172 18 Q HA -0.073 4.267 4.340 0.001 0.000 0.200 18 Q C 1.803 177.766 176.000 -0.060 0.000 0.964 18 Q CA 1.085 56.873 55.803 -0.026 0.000 0.855 18 Q CB -0.113 28.609 28.738 -0.027 0.000 0.918 18 Q HN 0.391 nan 8.270 nan 0.000 0.444 19 K N -0.159 120.155 120.400 -0.144 0.000 2.103 19 K HA -0.147 4.174 4.320 0.001 0.000 0.207 19 K C 0.745 177.182 176.600 -0.271 0.000 1.048 19 K CA 1.146 57.269 56.287 -0.274 0.000 0.930 19 K CB 0.041 32.255 32.500 -0.477 0.000 0.716 19 K HN 0.260 nan 8.250 nan 0.000 0.444 20 Y N 0.364 120.683 120.300 0.031 0.000 2.571 20 Y HA 0.008 4.558 4.550 0.001 0.000 0.275 20 Y C 1.601 177.499 175.900 -0.004 0.000 1.179 20 Y CA -0.533 57.587 58.100 0.035 0.000 1.242 20 Y CB 0.255 38.765 38.460 0.083 0.000 1.126 20 Y HN 0.216 nan 8.280 nan 0.000 0.524 21 D N 1.347 121.799 120.400 0.087 0.000 2.137 21 D HA -0.234 4.407 4.640 0.001 0.000 0.189 21 D C 1.797 178.089 176.300 -0.013 0.000 0.998 21 D CA 1.560 55.579 54.000 0.032 0.000 0.839 21 D CB 0.330 41.133 40.800 0.006 0.000 0.962 21 D HN 0.223 nan 8.370 nan 0.000 0.446 22 R N 0.281 120.763 120.500 -0.029 0.000 2.159 22 R HA -0.162 4.179 4.340 0.001 0.000 0.237 22 R C 2.334 178.524 176.300 -0.183 0.000 1.131 22 R CA 1.345 57.394 56.100 -0.084 0.000 0.982 22 R CB -0.714 29.545 30.300 -0.069 0.000 0.868 22 R HN 0.673 nan 8.270 nan 0.000 0.453 23 Q N -0.305 119.362 119.800 -0.221 0.000 2.373 23 Q HA 0.109 4.450 4.340 0.001 0.000 0.210 23 Q C 2.066 177.678 176.000 -0.647 0.000 0.913 23 Q CA 0.163 55.627 55.803 -0.566 0.000 0.911 23 Q CB -0.298 28.077 28.738 -0.605 0.000 1.040 23 Q HN 0.194 nan 8.270 nan 0.000 0.521 24 L N 1.064 122.139 121.223 -0.246 0.000 2.187 24 L HA -0.122 4.218 4.340 0.001 0.000 0.213 24 L C 2.287 179.072 176.870 -0.141 0.000 1.100 24 L CA 1.281 56.049 54.840 -0.120 0.000 0.765 24 L CB -0.261 41.814 42.059 0.027 0.000 0.904 24 L HN 0.210 nan 8.230 nan 0.000 0.437 25 R N -0.516 119.888 120.500 -0.161 0.000 2.339 25 R HA -0.026 4.315 4.340 0.001 0.000 0.199 25 R C 1.591 177.804 176.300 -0.145 0.000 1.018 25 R CA 0.611 56.643 56.100 -0.114 0.000 1.036 25 R CB -0.020 30.223 30.300 -0.095 0.000 0.899 25 R HN 0.410 nan 8.270 nan 0.000 0.473 26 L N -1.887 119.156 121.223 -0.299 0.000 2.515 26 L HA 0.125 4.466 4.340 0.001 0.000 0.202 26 L C 1.248 178.074 176.870 -0.074 0.000 1.056 26 L CA 0.111 54.797 54.840 -0.256 0.000 0.847 26 L CB 0.058 41.833 42.059 -0.474 0.000 1.131 26 L HN 0.283 nan 8.230 nan 0.000 0.484 27 W N -0.088 121.223 121.300 0.018 0.000 2.870 27 W HA 0.691 5.352 4.660 0.001 0.000 0.358 27 W C 0.650 177.032 176.519 -0.229 0.000 1.043 27 W CA -0.477 56.839 57.345 -0.048 0.000 1.692 27 W CB -0.999 28.474 29.460 0.023 0.000 1.100 27 W HN 0.098 nan 8.180 nan 0.000 0.557 28 G N 1.676 110.523 108.800 0.077 0.000 2.796 28 G HA2 -0.323 3.638 3.960 0.001 0.000 0.226 28 G HA3 -0.323 3.638 3.960 0.001 0.000 0.226 28 G C 0.513 175.449 174.900 0.060 0.000 1.381 28 G CA 0.235 45.353 45.100 0.031 0.000 0.867 28 G HN 0.141 nan 8.290 nan 0.000 0.552 29 D N 0.058 120.514 120.400 0.092 0.000 2.117 29 D HA -0.125 4.515 4.640 0.001 0.000 0.197 29 D C 2.151 178.502 176.300 0.086 0.000 0.987 29 D CA 1.873 55.940 54.000 0.111 0.000 0.829 29 D CB -0.358 40.521 40.800 0.131 0.000 0.961 29 D HN 0.741 nan 8.370 nan 0.000 0.460 30 H N -0.103 119.024 119.070 0.094 0.000 2.387 30 H HA -0.021 4.536 4.556 0.001 0.000 0.299 30 H C 2.068 177.424 175.328 0.048 0.000 1.090 30 H CA 1.574 57.658 56.048 0.061 0.000 1.332 30 H CB -0.792 28.998 29.762 0.047 0.000 1.386 30 H HN 0.110 nan 8.280 nan 0.000 0.516 31 G N 0.622 109.192 108.800 -0.383 0.000 2.394 31 G HA2 -0.298 3.663 3.960 0.001 0.000 0.214 31 G HA3 -0.298 3.663 3.960 0.001 0.000 0.214 31 G C 1.784 176.522 174.900 -0.270 0.000 1.176 31 G CA 0.766 45.714 45.100 -0.255 0.000 0.786 31 G HN 0.404 nan 8.290 nan 0.000 0.533 32 Q N 0.788 120.542 119.800 -0.077 0.000 2.096 32 Q HA -0.058 4.283 4.340 0.001 0.000 0.204 32 Q C 2.585 178.533 176.000 -0.087 0.000 0.982 32 Q CA 2.620 58.389 55.803 -0.056 0.000 0.850 32 Q CB -0.750 28.058 28.738 0.116 0.000 0.901 32 Q HN 0.524 nan 8.270 nan 0.000 0.422 33 E N -0.015 120.168 120.200 -0.028 0.000 2.058 33 E HA -0.124 4.227 4.350 0.001 0.000 0.194 33 E C 2.038 178.612 176.600 -0.044 0.000 0.997 33 E CA 1.777 58.169 56.400 -0.012 0.000 0.801 33 E CB -1.363 28.354 29.700 0.029 0.000 0.746 33 E HN 0.639 nan 8.360 nan 0.000 0.450 34 A N -0.138 122.644 122.820 -0.064 0.000 1.978 34 A HA 0.071 4.392 4.320 0.001 0.000 0.220 34 A C 2.457 179.972 177.584 -0.115 0.000 1.170 34 A CA 1.748 53.741 52.037 -0.074 0.000 0.636 34 A CB -0.405 18.549 19.000 -0.078 0.000 0.810 34 A HN 0.514 nan 8.150 nan 0.000 0.448 35 L N -0.350 120.757 121.223 -0.192 0.000 2.095 35 L HA -0.026 4.315 4.340 0.001 0.000 0.204 35 L C 2.040 178.830 176.870 -0.132 0.000 1.080 35 L CA 1.780 56.481 54.840 -0.232 0.000 0.759 35 L CB -0.333 41.486 42.059 -0.400 0.000 0.914 35 L HN 0.440 nan 8.230 nan 0.000 0.439 36 E N -1.274 118.864 120.200 -0.104 0.000 2.511 36 E HA -0.053 4.298 4.350 0.001 0.000 0.196 36 E C 1.182 177.771 176.600 -0.017 0.000 1.066 36 E CA 0.760 57.130 56.400 -0.049 0.000 0.871 36 E CB 0.039 29.720 29.700 -0.031 0.000 0.863 36 E HN 0.575 nan 8.360 nan 0.000 0.520 37 S N -0.811 114.876 115.700 -0.020 0.000 2.730 37 S HA 0.425 4.896 4.470 0.001 0.000 0.244 37 S C 0.360 174.968 174.600 0.014 0.000 1.022 37 S CA -0.539 57.659 58.200 -0.003 0.000 1.014 37 S CB 0.814 64.010 63.200 -0.005 0.000 0.963 37 S HN 0.139 nan 8.310 nan 0.000 0.540 38 A N 1.593 124.425 122.820 0.021 0.000 2.279 38 A HA 0.645 4.966 4.320 0.001 0.000 0.303 38 A C -0.418 177.263 177.584 0.162 0.000 1.108 38 A CA -0.538 51.537 52.037 0.062 0.000 0.830 38 A CB 0.481 19.494 19.000 0.020 0.000 1.106 38 A HN 0.718 nan 8.150 nan 0.000 0.493 39 H N 0.421 119.537 119.070 0.076 0.000 2.823 39 H HA 0.534 5.091 4.556 0.001 0.000 0.332 39 H C -1.852 173.626 175.328 0.250 0.000 0.980 39 H CA -0.581 55.561 56.048 0.156 0.000 1.286 39 H CB 1.559 31.396 29.762 0.125 0.000 1.541 39 H HN 0.553 nan 8.280 nan 0.000 0.521 40 V N 6.189 126.219 119.914 0.194 0.000 2.459 40 V HA 0.302 4.423 4.120 0.001 0.000 0.295 40 V C -0.535 175.428 176.094 -0.218 0.000 1.029 40 V CA -0.550 61.747 62.300 -0.004 0.000 0.874 40 V CB 1.146 32.980 31.823 0.019 0.000 0.985 40 V HN 0.893 nan 8.190 nan 0.000 0.438 41 C N 8.025 126.962 119.300 -0.606 0.000 2.319 41 C HA 0.761 5.221 4.460 0.001 0.000 0.335 41 C C -0.467 174.330 174.990 -0.321 0.000 1.274 41 C CA -0.773 57.735 59.018 -0.849 0.000 1.806 41 C CB 0.299 26.924 27.740 -1.860 0.000 2.329 41 C HN 0.921 nan 8.230 nan 0.000 0.524 42 L N 7.798 128.943 121.223 -0.129 0.000 2.322 42 L HA 0.736 5.077 4.340 0.001 0.000 0.281 42 L C -0.693 176.192 176.870 0.024 0.000 1.014 42 L CA -0.161 54.657 54.840 -0.036 0.000 0.815 42 L CB 1.194 43.253 42.059 0.001 0.000 1.247 42 L HN 0.671 nan 8.230 nan 0.000 0.421 43 I N 5.407 125.998 120.570 0.035 0.000 2.377 43 I HA 0.422 4.592 4.170 0.001 0.000 0.293 43 I C -0.568 175.592 176.117 0.070 0.000 0.987 43 I CA -0.827 60.520 61.300 0.079 0.000 1.185 43 I CB 1.075 39.126 38.000 0.085 0.000 1.341 43 I HN 0.695 nan 8.210 nan 0.000 0.455 44 N N 4.343 123.095 118.700 0.086 0.000 3.351 44 N HA -0.157 4.583 4.740 0.001 0.000 0.282 44 N C -0.451 175.102 175.510 0.071 0.000 1.898 44 N CA 0.667 53.764 53.050 0.079 0.000 2.037 44 N CB -0.106 38.423 38.487 0.070 0.000 0.724 44 N HN 0.857 nan 8.380 nan 0.000 0.535 45 A N 1.846 124.714 122.820 0.081 0.000 3.282 45 A HA 0.309 4.629 4.320 0.001 0.000 0.287 45 A C 1.049 178.683 177.584 0.085 0.000 1.366 45 A CA 0.180 52.266 52.037 0.082 0.000 1.069 45 A CB 0.226 19.287 19.000 0.101 0.000 1.109 45 A HN 0.624 nan 8.150 nan 0.000 0.638 46 T N -0.818 113.778 114.554 0.070 0.000 2.715 46 T HA 0.393 4.744 4.350 0.001 0.000 0.320 46 T C 1.821 176.563 174.700 0.070 0.000 1.046 46 T CA 0.462 62.601 62.100 0.065 0.000 0.983 46 T CB 0.503 69.400 68.868 0.048 0.000 1.183 46 T HN 0.657 nan 8.240 nan 0.000 0.522 47 A N 0.252 123.105 122.820 0.056 0.000 1.873 47 A HA -0.015 4.306 4.320 0.001 0.000 0.215 47 A C 2.490 180.065 177.584 -0.015 0.000 1.186 47 A CA 2.501 54.563 52.037 0.042 0.000 0.616 47 A CB -1.604 17.403 19.000 0.011 0.000 0.823 47 A HN 0.895 nan 8.150 nan 0.000 0.442 48 T N 0.074 114.615 114.554 -0.022 0.000 2.624 48 T HA -0.155 4.196 4.350 0.001 0.000 0.268 48 T C 1.978 176.674 174.700 -0.008 0.000 1.041 48 T CA 1.814 63.904 62.100 -0.017 0.000 1.159 48 T CB -0.958 67.917 68.868 0.012 0.000 0.863 48 T HN 0.605 nan 8.240 nan 0.000 0.434 49 G N 1.457 110.263 108.800 0.010 0.000 2.459 49 G HA2 -0.275 3.685 3.960 0.001 0.000 0.217 49 G HA3 -0.275 3.685 3.960 0.001 0.000 0.217 49 G C 1.860 176.744 174.900 -0.027 0.000 1.183 49 G CA 1.882 46.983 45.100 0.002 0.000 0.776 49 G HN 0.638 nan 8.290 nan 0.000 0.552 50 T N -1.507 113.052 114.554 0.007 0.000 3.023 50 T HA 0.070 4.421 4.350 0.001 0.000 0.266 50 T C 1.962 176.628 174.700 -0.055 0.000 1.093 50 T CA 1.439 63.515 62.100 -0.039 0.000 1.129 50 T CB -0.001 68.934 68.868 0.113 0.000 0.899 50 T HN 0.191 nan 8.240 nan 0.000 0.491 51 E N 1.348 121.562 120.200 0.024 0.000 2.072 51 E HA 0.053 4.404 4.350 0.001 0.000 0.191 51 E C 2.199 178.762 176.600 -0.063 0.000 0.985 51 E CA 0.811 57.219 56.400 0.013 0.000 0.801 51 E CB -0.362 29.316 29.700 -0.037 0.000 0.750 51 E HN 0.586 nan 8.360 nan 0.000 0.452 52 I N 0.663 121.185 120.570 -0.079 0.000 2.226 52 I HA -0.271 3.900 4.170 0.001 0.000 0.245 52 I C 2.387 178.422 176.117 -0.137 0.000 1.100 52 I CA 0.648 61.889 61.300 -0.098 0.000 1.374 52 I CB -0.164 37.789 38.000 -0.079 0.000 1.057 52 I HN 0.078 nan 8.210 nan 0.000 0.413 53 L N 1.134 122.247 121.223 -0.183 0.000 2.072 53 L HA -0.180 4.160 4.340 0.001 0.000 0.205 53 L C 2.482 179.147 176.870 -0.341 0.000 1.079 53 L CA 1.756 56.420 54.840 -0.293 0.000 0.752 53 L CB -0.845 40.988 42.059 -0.377 0.000 0.906 53 L HN 0.168 nan 8.230 nan 0.000 0.436 54 K N -0.704 119.492 120.400 -0.339 0.000 2.113 54 K HA -0.214 4.107 4.320 0.001 0.000 0.208 54 K C 1.310 177.832 176.600 -0.129 0.000 1.047 54 K CA 1.741 57.853 56.287 -0.291 0.000 0.928 54 K CB -0.166 32.242 32.500 -0.153 0.000 0.716 54 K HN 0.406 nan 8.250 nan 0.000 0.446 55 N N 0.482 119.117 118.700 -0.108 0.000 2.461 55 N HA 0.011 4.752 4.740 0.001 0.000 0.188 55 N C 1.376 176.848 175.510 -0.064 0.000 1.134 55 N CA 0.512 53.522 53.050 -0.066 0.000 0.878 55 N CB 0.299 38.741 38.487 -0.074 0.000 0.972 55 N HN 0.305 nan 8.380 nan 0.000 0.456 56 L N -0.809 120.352 121.223 -0.104 0.000 2.467 56 L HA 0.146 4.487 4.340 0.001 0.000 0.213 56 L C 1.995 178.822 176.870 -0.071 0.000 1.053 56 L CA 0.202 54.985 54.840 -0.094 0.000 0.847 56 L CB -0.141 41.849 42.059 -0.116 0.000 1.075 56 L HN -0.162 nan 8.230 nan 0.000 0.479 57 V N 0.682 120.530 119.914 -0.110 0.000 2.295 57 V HA -0.278 3.843 4.120 0.001 0.000 0.246 57 V C 2.466 178.587 176.094 0.045 0.000 1.049 57 V CA 1.700 63.973 62.300 -0.046 0.000 1.024 57 V CB -0.382 31.365 31.823 -0.127 0.000 0.648 57 V HN 0.305 nan 8.190 nan 0.000 0.447 58 L N 0.426 121.675 121.223 0.043 0.000 1.990 58 L HA -0.131 4.210 4.340 0.001 0.000 0.213 58 L C 0.220 177.205 176.870 0.191 0.000 1.072 58 L CA 1.981 56.891 54.840 0.116 0.000 0.755 58 L CB -1.762 40.351 42.059 0.090 0.000 0.889 58 L HN 0.391 nan 8.230 nan 0.000 0.432 59 P HA -0.053 nan 4.420 nan 0.000 0.226 59 P C 0.675 177.872 177.300 -0.172 0.000 1.153 59 P CA 1.616 64.770 63.100 0.091 0.000 0.777 59 P CB 0.165 31.956 31.700 0.152 0.000 0.794 60 G N 0.156 108.934 108.800 -0.037 0.000 2.427 60 G HA2 -0.185 3.776 3.960 0.001 0.000 0.193 60 G HA3 -0.185 3.776 3.960 0.001 0.000 0.193 60 G C -0.256 174.609 174.900 -0.059 0.000 1.086 60 G CA -0.444 44.634 45.100 -0.036 0.000 0.818 60 G HN 0.333 nan 8.290 nan 0.000 0.490 61 I N 1.335 121.890 120.570 -0.024 0.000 2.845 61 I HA 0.421 4.591 4.170 0.001 0.000 0.296 61 I C 1.790 177.944 176.117 0.061 0.000 1.216 61 I CA 1.560 62.859 61.300 -0.003 0.000 1.438 61 I CB 0.660 38.675 38.000 0.024 0.000 1.342 61 I HN 0.364 nan 8.210 nan 0.000 0.577 62 G N 5.126 113.953 108.800 0.045 0.000 2.628 62 G HA2 -0.155 3.805 3.960 0.001 0.000 0.217 62 G HA3 -0.155 3.805 3.960 0.001 0.000 0.217 62 G C 0.363 175.312 174.900 0.083 0.000 1.240 62 G CA 1.148 46.279 45.100 0.052 0.000 0.792 62 G HN 0.931 nan 8.290 nan 0.000 0.593 63 S N -1.571 114.208 115.700 0.131 0.000 2.638 63 S HA 0.717 5.188 4.470 0.001 0.000 0.274 63 S C -0.987 173.881 174.600 0.448 0.000 1.157 63 S CA -0.720 57.563 58.200 0.137 0.000 0.826 63 S CB 2.009 65.118 63.200 -0.152 0.000 1.139 63 S HN 1.149 nan 8.310 nan 0.000 0.474 64 F N -1.363 118.752 119.950 0.275 0.000 2.619 64 F HA 0.859 5.387 4.527 0.001 0.000 0.308 64 F C -1.144 174.869 175.800 0.354 0.000 1.097 64 F CA -0.721 57.471 58.000 0.320 0.000 0.953 64 F CB 1.590 40.670 39.000 0.134 0.000 1.287 64 F HN 0.577 nan 8.300 nan 0.000 0.446 65 T N 4.008 118.828 114.554 0.444 0.000 2.841 65 T HA 0.574 4.924 4.350 0.001 0.000 0.285 65 T C -0.561 174.315 174.700 0.294 0.000 0.991 65 T CA -0.414 61.898 62.100 0.353 0.000 0.966 65 T CB 1.418 70.574 68.868 0.480 0.000 0.962 65 T HN 0.598 nan 8.240 nan 0.000 0.438 66 I N 3.874 124.647 120.570 0.339 0.000 2.337 66 I HA 0.365 4.536 4.170 0.001 0.000 0.285 66 I C -0.143 176.127 176.117 0.255 0.000 1.041 66 I CA -0.668 60.799 61.300 0.278 0.000 1.199 66 I CB 0.801 38.981 38.000 0.301 0.000 1.370 66 I HN 0.490 nan 8.210 nan 0.000 0.470 67 I N 6.150 126.843 120.570 0.205 0.000 2.471 67 I HA 0.160 4.331 4.170 0.001 0.000 0.286 67 I C -0.158 176.054 176.117 0.158 0.000 1.079 67 I CA 0.716 62.126 61.300 0.183 0.000 1.398 67 I CB 0.449 38.570 38.000 0.202 0.000 1.403 67 I HN 0.541 nan 8.210 nan 0.000 0.530 68 D N 4.414 124.903 120.400 0.148 0.000 2.726 68 D HA 0.194 4.835 4.640 0.001 0.000 0.203 68 D C -0.046 176.319 176.300 0.109 0.000 1.297 68 D CA -0.383 53.690 54.000 0.120 0.000 0.863 68 D CB 1.747 42.616 40.800 0.114 0.000 1.669 68 D HN 0.582 nan 8.370 nan 0.000 0.561 69 G N 2.713 111.567 108.800 0.090 0.000 3.523 69 G HA2 0.126 4.087 3.960 0.001 0.000 0.270 69 G HA3 0.126 4.087 3.960 0.001 0.000 0.270 69 G C 0.221 175.162 174.900 0.068 0.000 1.134 69 G CA -0.314 44.832 45.100 0.077 0.000 0.825 69 G HN 0.327 nan 8.290 nan 0.000 0.534 70 N N 0.359 119.100 118.700 0.068 0.000 2.443 70 N HA 0.258 4.999 4.740 0.001 0.000 0.293 70 N C -0.481 175.060 175.510 0.052 0.000 1.159 70 N CA -0.434 52.652 53.050 0.061 0.000 0.904 70 N CB 1.505 40.032 38.487 0.066 0.000 1.214 70 N HN 0.121 nan 8.380 nan 0.000 0.513 71 Q N 0.464 120.292 119.800 0.047 0.000 2.259 71 Q HA 0.265 4.605 4.340 0.001 0.000 0.246 71 Q C -0.362 175.664 176.000 0.043 0.000 0.920 71 Q CA -0.560 55.267 55.803 0.039 0.000 0.895 71 Q CB 1.504 30.263 28.738 0.036 0.000 1.220 71 Q HN 0.302 nan 8.270 nan 0.000 0.439 72 V N 3.345 123.283 119.914 0.040 0.000 2.434 72 V HA -0.049 4.072 4.120 0.001 0.000 0.281 72 V C 0.631 176.747 176.094 0.038 0.000 1.005 72 V CA 0.232 62.558 62.300 0.044 0.000 1.089 72 V CB -0.093 31.758 31.823 0.047 0.000 0.978 72 V HN 0.841 nan 8.190 nan 0.000 0.474 73 S N 4.478 120.202 115.700 0.039 0.000 2.655 73 S HA 0.431 4.902 4.470 0.001 0.000 0.265 73 S C 1.495 176.111 174.600 0.027 0.000 1.240 73 S CA -0.066 58.155 58.200 0.035 0.000 0.986 73 S CB 1.426 64.650 63.200 0.039 0.000 0.985 73 S HN 0.789 nan 8.310 nan 0.000 0.562 74 G N 0.685 109.499 108.800 0.023 0.000 2.421 74 G HA2 -0.207 3.754 3.960 0.001 0.000 0.216 74 G HA3 -0.207 3.754 3.960 0.001 0.000 0.216 74 G C 1.322 176.230 174.900 0.012 0.000 1.171 74 G CA 0.907 46.016 45.100 0.015 0.000 0.775 74 G HN 0.965 nan 8.290 nan 0.000 0.543 75 E N 0.240 120.450 120.200 0.016 0.000 2.274 75 E HA -0.086 4.265 4.350 0.001 0.000 0.194 75 E C 1.484 178.096 176.600 0.019 0.000 0.996 75 E CA 1.070 57.478 56.400 0.014 0.000 0.840 75 E CB -0.223 29.485 29.700 0.013 0.000 0.772 75 E HN 0.219 nan 8.360 nan 0.000 0.491 76 D N 1.724 122.140 120.400 0.027 0.000 2.097 76 D HA -0.101 4.540 4.640 0.001 0.000 0.195 76 D C 2.002 178.321 176.300 0.032 0.000 0.989 76 D CA 1.891 55.913 54.000 0.037 0.000 0.827 76 D CB -0.295 40.532 40.800 0.045 0.000 0.966 76 D HN 0.355 nan 8.370 nan 0.000 0.456 77 A N 0.330 123.160 122.820 0.015 0.000 2.067 77 A HA 0.038 4.359 4.320 0.001 0.000 0.219 77 A C 2.278 179.847 177.584 -0.025 0.000 1.158 77 A CA 1.800 53.831 52.037 -0.011 0.000 0.661 77 A CB -0.776 18.212 19.000 -0.019 0.000 0.801 77 A HN 0.299 nan 8.150 nan 0.000 0.452 78 G N 0.960 109.755 108.800 -0.008 0.000 2.402 78 G HA2 -0.227 3.734 3.960 0.001 0.000 0.216 78 G HA3 -0.227 3.734 3.960 0.001 0.000 0.216 78 G C 1.190 176.092 174.900 0.004 0.000 1.162 78 G CA 1.109 46.202 45.100 -0.012 0.000 0.777 78 G HN 0.728 nan 8.290 nan 0.000 0.539 79 N N -0.357 118.371 118.700 0.047 0.000 2.203 79 N HA 0.041 4.782 4.740 0.001 0.000 0.207 79 N C -0.243 175.425 175.510 0.263 0.000 1.130 79 N CA -0.297 52.830 53.050 0.128 0.000 0.861 79 N CB -0.070 38.487 38.487 0.116 0.000 1.005 79 N HN 0.124 nan 8.380 nan 0.000 0.507 80 N N 0.273 119.063 118.700 0.150 0.000 2.342 80 N HA 0.176 4.917 4.740 0.001 0.000 0.293 80 N C -0.827 174.727 175.510 0.074 0.000 1.026 80 N CA -0.502 52.662 53.050 0.190 0.000 0.857 80 N CB 0.985 39.555 38.487 0.139 0.000 1.256 80 N HN -0.069 nan 8.380 nan 0.000 0.484 81 F N 2.462 122.351 119.950 -0.101 0.000 2.615 81 F HA 0.243 4.770 4.527 0.001 0.000 0.297 81 F C 0.521 175.841 175.800 -0.801 0.000 1.124 81 F CA 0.572 58.263 58.000 -0.515 0.000 1.451 81 F CB 0.170 38.753 39.000 -0.695 0.000 1.103 81 F HN 0.443 nan 8.300 nan 0.000 0.569 82 F N 0.421 120.349 119.950 -0.036 0.000 2.708 82 F HA 0.346 4.874 4.527 0.001 0.000 0.300 82 F C -0.308 175.435 175.800 -0.095 0.000 1.118 82 F CA -0.146 57.797 58.000 -0.095 0.000 1.307 82 F CB -0.020 39.056 39.000 0.127 0.000 0.986 82 F HN -0.339 nan 8.300 nan 0.000 0.522 83 L N 0.011 121.144 121.223 -0.151 0.000 2.350 83 L HA 0.561 4.902 4.340 0.001 0.000 0.260 83 L C -0.463 176.216 176.870 -0.319 0.000 1.015 83 L CA -0.948 53.843 54.840 -0.082 0.000 0.821 83 L CB 2.135 44.220 42.059 0.043 0.000 1.370 83 L HN -0.097 nan 8.230 nan 0.000 0.416 84 Q N 0.188 119.895 119.800 -0.157 0.000 2.552 84 Q HA 0.376 4.717 4.340 0.001 0.000 0.289 84 Q C 0.299 176.267 176.000 -0.053 0.000 1.097 84 Q CA -0.771 54.928 55.803 -0.174 0.000 0.812 84 Q CB 2.647 31.337 28.738 -0.079 0.000 1.460 84 Q HN 0.507 nan 8.270 nan 0.000 0.452 85 R N 0.415 120.881 120.500 -0.057 0.000 2.127 85 R HA -0.137 4.204 4.340 0.001 0.000 0.238 85 R C 1.743 178.048 176.300 0.007 0.000 1.134 85 R CA 2.134 58.219 56.100 -0.024 0.000 0.975 85 R CB -0.040 30.242 30.300 -0.030 0.000 0.865 85 R HN 0.680 nan 8.270 nan 0.000 0.447 86 S N -0.721 114.996 115.700 0.028 0.000 2.474 86 S HA -0.023 4.448 4.470 0.001 0.000 0.235 86 S C 1.710 176.344 174.600 0.057 0.000 0.997 86 S CA 1.144 59.371 58.200 0.045 0.000 0.949 86 S CB 0.185 63.422 63.200 0.062 0.000 0.766 86 S HN 0.236 nan 8.310 nan 0.000 0.517 87 S N 1.587 117.333 115.700 0.076 0.000 2.461 87 S HA 0.252 4.722 4.470 0.001 0.000 0.228 87 S C 0.739 175.366 174.600 0.045 0.000 1.005 87 S CA 0.023 58.270 58.200 0.079 0.000 0.942 87 S CB -0.581 62.693 63.200 0.122 0.000 0.776 87 S HN 0.553 nan 8.310 nan 0.000 0.514 88 I N 2.253 122.844 120.570 0.034 0.000 2.828 88 I HA 0.076 4.247 4.170 0.001 0.000 0.292 88 I C 1.576 177.708 176.117 0.024 0.000 1.206 88 I CA 0.746 62.062 61.300 0.027 0.000 1.420 88 I CB -0.245 37.767 38.000 0.019 0.000 1.368 88 I HN 0.425 nan 8.210 nan 0.000 0.556 89 G N 5.018 113.833 108.800 0.025 0.000 2.308 89 G HA2 -0.218 3.743 3.960 0.001 0.000 0.221 89 G HA3 -0.218 3.743 3.960 0.001 0.000 0.221 89 G C 0.369 175.280 174.900 0.019 0.000 1.032 89 G CA -0.468 44.645 45.100 0.022 0.000 0.623 89 G HN 0.535 nan 8.290 nan 0.000 0.506 90 K N 1.228 121.638 120.400 0.016 0.000 2.126 90 K HA 0.294 4.615 4.320 0.001 0.000 0.257 90 K C 0.491 177.092 176.600 0.001 0.000 1.007 90 K CA -0.449 55.840 56.287 0.003 0.000 0.928 90 K CB 0.641 33.136 32.500 -0.008 0.000 1.013 90 K HN 0.340 nan 8.250 nan 0.000 0.473 91 N N 1.875 120.564 118.700 -0.018 0.000 2.412 91 N HA -0.101 4.640 4.740 0.001 0.000 0.258 91 N C 0.742 176.234 175.510 -0.031 0.000 1.236 91 N CA 0.260 53.299 53.050 -0.019 0.000 0.882 91 N CB 0.642 39.110 38.487 -0.031 0.000 1.066 91 N HN 0.478 nan 8.380 nan 0.000 0.465 92 R N 3.109 123.616 120.500 0.013 0.000 2.075 92 R HA -0.112 4.229 4.340 0.001 0.000 0.232 92 R C 1.901 178.219 176.300 0.030 0.000 1.126 92 R CA 1.498 57.620 56.100 0.037 0.000 0.963 92 R CB -0.322 30.015 30.300 0.061 0.000 0.858 92 R HN 0.775 nan 8.270 nan 0.000 0.435 93 A N 0.918 123.755 122.820 0.027 0.000 1.877 93 A HA -0.230 4.091 4.320 0.001 0.000 0.216 93 A C 1.992 179.508 177.584 -0.112 0.000 1.186 93 A CA 1.702 53.773 52.037 0.057 0.000 0.620 93 A CB -0.554 18.553 19.000 0.178 0.000 0.822 93 A HN 0.516 nan 8.150 nan 0.000 0.443 94 E N -0.259 119.653 120.200 -0.479 0.000 2.072 94 E HA -0.091 4.259 4.350 0.001 0.000 0.191 94 E C 2.135 178.501 176.600 -0.389 0.000 0.985 94 E CA 0.995 56.817 56.400 -0.964 0.000 0.801 94 E CB -0.258 28.676 29.700 -1.276 0.000 0.750 94 E HN 0.520 nan 8.360 nan 0.000 0.452 95 A N 1.331 124.038 122.820 -0.190 0.000 1.877 95 A HA -0.103 4.218 4.320 0.001 0.000 0.216 95 A C 2.436 180.083 177.584 0.105 0.000 1.186 95 A CA 1.880 53.894 52.037 -0.039 0.000 0.620 95 A CB -0.904 18.135 19.000 0.065 0.000 0.822 95 A HN 0.419 nan 8.150 nan 0.000 0.443 96 A N -0.583 122.327 122.820 0.149 0.000 1.908 96 A HA -0.172 4.149 4.320 0.001 0.000 0.218 96 A C 2.294 180.020 177.584 0.237 0.000 1.181 96 A CA 1.997 54.184 52.037 0.249 0.000 0.627 96 A CB -0.567 18.540 19.000 0.179 0.000 0.818 96 A HN 0.640 nan 8.150 nan 0.000 0.445 97 M N -0.443 119.265 119.600 0.180 0.000 2.117 97 M HA -0.185 4.295 4.480 0.001 0.000 0.262 97 M C 1.851 178.255 176.300 0.174 0.000 1.065 97 M CA 2.205 57.669 55.300 0.274 0.000 1.114 97 M CB -0.412 32.344 32.600 0.259 0.000 1.361 97 M HN 0.546 nan 8.290 nan 0.000 0.408 98 E N -0.264 119.930 120.200 -0.009 0.000 2.118 98 E HA -0.207 4.143 4.350 0.001 0.000 0.195 98 E C 1.657 178.174 176.600 -0.138 0.000 0.992 98 E CA 1.843 58.150 56.400 -0.156 0.000 0.804 98 E CB -0.209 29.255 29.700 -0.394 0.000 0.741 98 E HN 0.592 nan 8.360 nan 0.000 0.458 99 F N 0.054 120.093 119.950 0.148 0.000 2.219 99 F HA -0.015 4.513 4.527 0.001 0.000 0.294 99 F C 2.087 178.047 175.800 0.266 0.000 1.086 99 F CA 0.316 58.443 58.000 0.212 0.000 1.330 99 F CB -0.025 39.134 39.000 0.265 0.000 1.047 99 F HN -0.068 nan 8.300 nan 0.000 0.495 100 L N -0.166 121.257 121.223 0.333 0.000 2.191 100 L HA -0.229 4.112 4.340 0.001 0.000 0.212 100 L C 2.372 179.342 176.870 0.168 0.000 1.103 100 L CA 1.230 56.099 54.840 0.048 0.000 0.769 100 L CB -0.494 41.440 42.059 -0.209 0.000 0.908 100 L HN 0.221 nan 8.230 nan 0.000 0.438 101 Q N -0.029 119.932 119.800 0.268 0.000 2.230 101 Q HA -0.178 4.163 4.340 0.001 0.000 0.202 101 Q C 1.847 177.959 176.000 0.188 0.000 0.963 101 Q CA 0.967 56.925 55.803 0.258 0.000 0.866 101 Q CB 0.210 29.070 28.738 0.202 0.000 0.931 101 Q HN 0.484 nan 8.270 nan 0.000 0.452 102 E N -0.079 120.236 120.200 0.192 0.000 2.338 102 E HA -0.139 4.212 4.350 0.001 0.000 0.197 102 E C 1.695 178.405 176.600 0.182 0.000 1.007 102 E CA 0.423 56.928 56.400 0.175 0.000 0.849 102 E CB 0.084 29.905 29.700 0.202 0.000 0.774 102 E HN 0.410 nan 8.360 nan 0.000 0.506 103 L N 0.408 121.752 121.223 0.202 0.000 2.093 103 L HA -0.072 4.269 4.340 0.001 0.000 0.208 103 L C 0.947 177.906 176.870 0.147 0.000 1.085 103 L CA 0.618 55.570 54.840 0.186 0.000 0.755 103 L CB 0.005 42.166 42.059 0.169 0.000 0.904 103 L HN 0.096 nan 8.230 nan 0.000 0.435 104 N N -1.331 117.457 118.700 0.147 0.000 2.655 104 N HA 0.002 4.742 4.740 0.001 0.000 0.277 104 N C 0.364 175.959 175.510 0.141 0.000 1.177 104 N CA 0.125 53.262 53.050 0.144 0.000 0.882 104 N CB 1.240 39.829 38.487 0.170 0.000 1.481 104 N HN -0.059 nan 8.380 nan 0.000 0.547 105 S N 0.983 116.750 115.700 0.112 0.000 2.603 105 S HA 0.008 4.478 4.470 0.001 0.000 0.229 105 S C 0.396 175.052 174.600 0.093 0.000 0.972 105 S CA 0.504 58.760 58.200 0.094 0.000 0.935 105 S CB 0.070 63.312 63.200 0.069 0.000 0.769 105 S HN 0.430 nan 8.310 nan 0.000 0.536 106 D N 1.176 121.647 120.400 0.119 0.000 2.328 106 D HA 0.219 4.859 4.640 0.001 0.000 0.221 106 D C -0.299 176.075 176.300 0.124 0.000 1.072 106 D CA 0.213 54.287 54.000 0.124 0.000 0.850 106 D CB 0.771 41.677 40.800 0.177 0.000 0.922 106 D HN 0.284 nan 8.370 nan 0.000 0.516 107 V N 0.642 120.638 119.914 0.137 0.000 2.495 107 V HA 0.228 4.349 4.120 0.001 0.000 0.298 107 V C 0.076 176.243 176.094 0.121 0.000 1.031 107 V CA -0.860 61.537 62.300 0.162 0.000 0.871 107 V CB 2.061 34.031 31.823 0.246 0.000 0.988 107 V HN -0.083 nan 8.190 nan 0.000 0.432 108 S N 3.791 119.518 115.700 0.044 0.000 2.422 108 S HA 0.661 5.132 4.470 0.001 0.000 0.298 108 S C 0.267 174.669 174.600 -0.330 0.000 1.118 108 S CA -0.118 58.030 58.200 -0.087 0.000 1.083 108 S CB 0.442 63.583 63.200 -0.099 0.000 0.971 108 S HN 1.061 nan 8.310 nan 0.000 0.478 109 G N 3.062 111.573 108.800 -0.481 0.000 2.477 109 G HA2 0.664 4.624 3.960 0.001 0.000 0.304 109 G HA3 0.664 4.624 3.960 0.001 0.000 0.304 109 G C -0.953 173.637 174.900 -0.517 0.000 1.175 109 G CA -0.536 43.907 45.100 -1.095 0.000 0.907 109 G HN 0.811 nan 8.290 nan 0.000 0.509 110 S N -1.416 114.034 115.700 -0.418 0.000 2.587 110 S HA 0.706 5.176 4.470 0.001 0.000 0.269 110 S C -1.286 173.411 174.600 0.162 0.000 1.154 110 S CA -0.620 57.540 58.200 -0.066 0.000 0.824 110 S CB 1.497 64.678 63.200 -0.032 0.000 1.118 110 S HN 1.084 nan 8.310 nan 0.000 0.462 111 F N -1.207 118.772 119.950 0.047 0.000 2.685 111 F HA 0.952 5.479 4.527 0.001 0.000 0.315 111 F C -1.778 174.068 175.800 0.076 0.000 1.126 111 F CA -1.102 56.950 58.000 0.088 0.000 0.950 111 F CB 1.074 40.120 39.000 0.075 0.000 1.360 111 F HN 0.366 nan 8.300 nan 0.000 0.469 112 V N 1.530 121.565 119.914 0.201 0.000 2.612 112 V HA 0.253 4.374 4.120 0.001 0.000 0.301 112 V C 0.033 176.225 176.094 0.163 0.000 1.059 112 V CA -0.549 61.769 62.300 0.030 0.000 0.886 112 V CB 1.507 33.280 31.823 -0.082 0.000 1.007 112 V HN 0.970 nan 8.190 nan 0.000 0.426 113 E N 1.921 122.215 120.200 0.156 0.000 2.482 113 E HA 0.031 4.381 4.350 0.001 0.000 0.196 113 E C 0.963 177.607 176.600 0.072 0.000 1.047 113 E CA 0.646 57.143 56.400 0.161 0.000 0.869 113 E CB 0.356 30.157 29.700 0.169 0.000 0.836 113 E HN 0.903 nan 8.360 nan 0.000 0.520 114 E N 1.623 121.831 120.200 0.013 0.000 2.366 114 E HA 0.191 4.542 4.350 0.001 0.000 0.266 114 E C 0.087 176.700 176.600 0.021 0.000 1.051 114 E CA -0.118 56.277 56.400 -0.009 0.000 0.884 114 E CB 0.667 30.322 29.700 -0.077 0.000 1.006 114 E HN 0.139 nan 8.360 nan 0.000 0.417 115 S N 2.260 117.982 115.700 0.037 0.000 2.603 115 S HA 0.356 4.827 4.470 0.001 0.000 0.268 115 S C -1.423 173.230 174.600 0.087 0.000 1.317 115 S CA -0.438 57.801 58.200 0.066 0.000 1.012 115 S CB 1.430 64.668 63.200 0.064 0.000 0.926 115 S HN 0.437 nan 8.310 nan 0.000 0.539 116 P HA -0.179 nan 4.420 nan 0.000 0.216 116 P C 1.237 178.638 177.300 0.168 0.000 1.157 116 P CA 1.570 64.784 63.100 0.190 0.000 0.880 116 P CB 0.037 31.826 31.700 0.149 0.000 0.791 117 E N -0.294 119.972 120.200 0.110 0.000 2.072 117 E HA -0.187 4.164 4.350 0.001 0.000 0.191 117 E C 2.066 178.717 176.600 0.086 0.000 0.985 117 E CA 1.295 57.750 56.400 0.091 0.000 0.801 117 E CB -0.825 28.916 29.700 0.068 0.000 0.750 117 E HN 0.124 nan 8.360 nan 0.000 0.452 118 N N -0.571 118.170 118.700 0.068 0.000 2.069 118 N HA -0.167 4.574 4.740 0.001 0.000 0.191 118 N C 1.610 177.144 175.510 0.040 0.000 1.031 118 N CA 1.116 54.191 53.050 0.043 0.000 0.852 118 N CB -0.260 38.241 38.487 0.023 0.000 1.018 118 N HN 0.104 nan 8.380 nan 0.000 0.423 119 L N 0.797 122.048 121.223 0.045 0.000 2.021 119 L HA -0.177 4.164 4.340 0.001 0.000 0.215 119 L C 2.108 179.056 176.870 0.129 0.000 1.074 119 L CA 1.555 56.412 54.840 0.027 0.000 0.760 119 L CB -1.354 40.730 42.059 0.042 0.000 0.889 119 L HN 0.399 nan 8.230 nan 0.000 0.433 120 L N -0.995 120.358 121.223 0.217 0.000 2.201 120 L HA -0.189 4.152 4.340 0.001 0.000 0.212 120 L C 1.990 178.940 176.870 0.134 0.000 1.105 120 L CA 0.720 55.696 54.840 0.227 0.000 0.775 120 L CB -0.436 41.741 42.059 0.197 0.000 0.913 120 L HN 0.247 nan 8.230 nan 0.000 0.440 121 D N -0.356 120.100 120.400 0.092 0.000 2.234 121 D HA -0.064 4.577 4.640 0.001 0.000 0.205 121 D C 1.494 177.823 176.300 0.049 0.000 0.962 121 D CA 0.844 54.881 54.000 0.062 0.000 0.855 121 D CB 0.130 40.958 40.800 0.047 0.000 0.951 121 D HN 0.340 nan 8.370 nan 0.000 0.500 122 N N -0.424 118.301 118.700 0.041 0.000 2.193 122 N HA -0.015 4.726 4.740 0.001 0.000 0.210 122 N C -0.386 175.135 175.510 0.017 0.000 1.215 122 N CA 0.127 53.189 53.050 0.020 0.000 0.901 122 N CB 1.803 40.288 38.487 -0.003 0.000 1.060 122 N HN -0.046 nan 8.380 nan 0.000 0.508 123 D N -0.106 120.315 120.400 0.034 0.000 3.602 123 D HA 0.123 4.764 4.640 0.001 0.000 0.275 123 D C -2.017 174.347 176.300 0.106 0.000 1.348 123 D CA -0.893 53.132 54.000 0.041 0.000 0.768 123 D CB 0.807 41.590 40.800 -0.028 0.000 1.373 123 D HN -0.103 nan 8.370 nan 0.000 0.683 124 P HA -0.168 nan 4.420 nan 0.000 0.216 124 P C 1.457 178.933 177.300 0.292 0.000 1.150 124 P CA 1.100 64.367 63.100 0.279 0.000 0.843 124 P CB -0.044 31.783 31.700 0.211 0.000 0.787 125 S N -1.307 114.496 115.700 0.171 0.000 2.537 125 S HA -0.173 4.297 4.470 0.001 0.000 0.240 125 S C 1.768 176.416 174.600 0.080 0.000 0.981 125 S CA 0.343 58.616 58.200 0.122 0.000 0.948 125 S CB -1.751 61.491 63.200 0.069 0.000 0.759 125 S HN 0.011 nan 8.310 nan 0.000 0.531 126 F N 2.195 122.080 119.950 -0.109 0.000 2.202 126 F HA 0.001 4.529 4.527 0.001 0.000 0.301 126 F C 1.350 177.002 175.800 -0.247 0.000 1.082 126 F CA 0.899 58.745 58.000 -0.258 0.000 1.313 126 F CB -0.566 38.180 39.000 -0.424 0.000 1.024 126 F HN 0.236 nan 8.300 nan 0.000 0.495 127 F N -1.061 118.938 119.950 0.082 0.000 2.802 127 F HA -0.037 4.491 4.527 0.001 0.000 0.300 127 F C 2.135 177.925 175.800 -0.017 0.000 1.168 127 F CA 0.120 58.196 58.000 0.127 0.000 1.433 127 F CB -0.854 38.281 39.000 0.225 0.000 1.115 127 F HN -0.037 nan 8.300 nan 0.000 0.582 128 C N 0.451 119.754 119.300 0.005 0.000 2.539 128 C HA -0.015 4.445 4.460 0.001 0.000 0.271 128 C C 2.462 177.340 174.990 -0.187 0.000 1.412 128 C CA 0.194 59.187 59.018 -0.041 0.000 1.729 128 C CB -1.771 25.957 27.740 -0.021 0.000 1.739 128 C HN 0.491 nan 8.230 nan 0.000 0.570 129 R N -0.695 119.522 120.500 -0.473 0.000 2.300 129 R HA 0.188 4.529 4.340 0.001 0.000 0.199 129 R C -0.256 175.697 176.300 -0.579 0.000 0.920 129 R CA 0.201 55.949 56.100 -0.587 0.000 1.046 129 R CB -0.195 29.621 30.300 -0.807 0.000 0.984 129 R HN 0.345 nan 8.270 nan 0.000 0.493 130 F N 0.461 120.326 119.950 -0.142 0.000 2.425 130 F HA 0.337 4.865 4.527 0.001 0.000 0.331 130 F C 1.393 177.152 175.800 -0.070 0.000 1.085 130 F CA -0.967 56.939 58.000 -0.157 0.000 1.028 130 F CB 2.017 40.904 39.000 -0.188 0.000 1.177 130 F HN -0.222 nan 8.300 nan 0.000 0.487 131 T N 0.858 115.506 114.554 0.156 0.000 2.770 131 T HA 0.031 4.382 4.350 0.001 0.000 0.263 131 T C 0.311 175.045 174.700 0.056 0.000 1.039 131 T CA 0.949 63.098 62.100 0.081 0.000 1.142 131 T CB -0.015 68.891 68.868 0.064 0.000 0.868 131 T HN 0.254 nan 8.240 nan 0.000 0.435 132 V N 0.902 120.845 119.914 0.049 0.000 2.888 132 V HA 0.524 4.645 4.120 0.001 0.000 0.309 132 V C -0.820 175.247 176.094 -0.045 0.000 1.114 132 V CA -1.174 61.124 62.300 -0.003 0.000 0.940 132 V CB 2.401 34.201 31.823 -0.039 0.000 1.021 132 V HN -0.057 nan 8.190 nan 0.000 0.426 133 V N 3.653 123.535 119.914 -0.054 0.000 2.398 133 V HA 0.506 4.627 4.120 0.001 0.000 0.286 133 V C -0.306 175.737 176.094 -0.085 0.000 1.026 133 V CA -0.516 61.715 62.300 -0.114 0.000 0.868 133 V CB 1.857 33.624 31.823 -0.093 0.000 0.982 133 V HN 0.653 nan 8.190 nan 0.000 0.443 134 V N 4.794 124.654 119.914 -0.090 0.000 2.304 134 V HA 0.656 4.777 4.120 0.001 0.000 0.278 134 V C 0.437 176.515 176.094 -0.027 0.000 1.018 134 V CA -0.520 61.751 62.300 -0.048 0.000 0.814 134 V CB 1.326 33.119 31.823 -0.050 0.000 1.021 134 V HN 0.948 nan 8.190 nan 0.000 0.440 135 A N 3.961 126.777 122.820 -0.007 0.000 2.309 135 A HA 0.854 5.175 4.320 0.001 0.000 0.298 135 A C 0.403 178.013 177.584 0.043 0.000 1.165 135 A CA -0.231 51.815 52.037 0.015 0.000 0.821 135 A CB 0.876 19.878 19.000 0.004 0.000 1.102 135 A HN 0.872 nan 8.150 nan 0.000 0.500 136 T N -0.100 114.484 114.554 0.049 0.000 2.893 136 T HA 0.514 4.865 4.350 0.001 0.000 0.291 136 T C -0.243 174.495 174.700 0.064 0.000 1.028 136 T CA -0.593 61.544 62.100 0.062 0.000 0.995 136 T CB 1.426 70.323 68.868 0.048 0.000 1.051 136 T HN 0.784 nan 8.240 nan 0.000 0.470 137 Q N 0.445 120.286 119.800 0.069 0.000 2.437 137 Q HA -0.155 4.186 4.340 0.001 0.000 0.274 137 Q C -0.262 175.775 176.000 0.062 0.000 1.165 137 Q CA 0.519 56.357 55.803 0.057 0.000 0.925 137 Q CB -2.172 26.594 28.738 0.047 0.000 1.327 137 Q HN 0.764 nan 8.270 nan 0.000 0.505 138 L N 2.014 123.272 121.223 0.059 0.000 2.397 138 L HA 0.277 4.618 4.340 0.001 0.000 0.271 138 L C -1.151 175.742 176.870 0.038 0.000 1.148 138 L CA -1.589 53.280 54.840 0.048 0.000 0.825 138 L CB 0.118 42.199 42.059 0.038 0.000 1.117 138 L HN -0.068 nan 8.230 nan 0.000 0.456 139 P HA 0.027 nan 4.420 nan 0.000 0.273 139 P C 0.315 177.614 177.300 -0.001 0.000 1.250 139 P CA -0.369 62.723 63.100 -0.013 0.000 0.793 139 P CB 0.893 32.552 31.700 -0.068 0.000 1.011 140 E N 0.418 120.622 120.200 0.006 0.000 2.070 140 E HA -0.198 4.152 4.350 0.001 0.000 0.197 140 E C 1.890 178.467 176.600 -0.038 0.000 1.004 140 E CA 2.214 58.609 56.400 -0.008 0.000 0.805 140 E CB -0.144 29.582 29.700 0.043 0.000 0.744 140 E HN 0.552 nan 8.360 nan 0.000 0.451 141 S N -0.309 115.391 115.700 -0.000 0.000 2.356 141 S HA -0.146 4.324 4.470 0.001 0.000 0.223 141 S C 2.139 176.731 174.600 -0.014 0.000 1.032 141 S CA 1.736 59.934 58.200 -0.004 0.000 1.005 141 S CB -0.756 62.458 63.200 0.023 0.000 0.867 141 S HN 0.161 nan 8.310 nan 0.000 0.449 142 T N 1.931 116.486 114.554 0.000 0.000 2.708 142 T HA -0.057 4.294 4.350 0.001 0.000 0.266 142 T C 2.118 176.805 174.700 -0.022 0.000 1.037 142 T CA 1.462 63.565 62.100 0.005 0.000 1.146 142 T CB -0.806 68.077 68.868 0.025 0.000 0.865 142 T HN 0.487 nan 8.240 nan 0.000 0.435 143 S N 0.767 116.447 115.700 -0.034 0.000 2.372 143 S HA -0.074 4.397 4.470 0.001 0.000 0.227 143 S C 1.972 176.511 174.600 -0.101 0.000 1.044 143 S CA 1.136 59.302 58.200 -0.057 0.000 1.050 143 S CB -0.524 62.640 63.200 -0.060 0.000 0.901 143 S HN 0.380 nan 8.310 nan 0.000 0.447 144 L N 0.330 121.468 121.223 -0.142 0.000 2.093 144 L HA -0.029 4.312 4.340 0.001 0.000 0.208 144 L C 2.891 179.710 176.870 -0.084 0.000 1.085 144 L CA 1.073 55.813 54.840 -0.166 0.000 0.755 144 L CB -0.427 41.510 42.059 -0.203 0.000 0.904 144 L HN 0.269 nan 8.230 nan 0.000 0.435 145 R N -0.175 120.296 120.500 -0.049 0.000 2.073 145 R HA -0.196 4.145 4.340 0.001 0.000 0.234 145 R C 2.249 178.536 176.300 -0.022 0.000 1.134 145 R CA 1.460 57.551 56.100 -0.016 0.000 0.952 145 R CB -0.350 29.954 30.300 0.007 0.000 0.850 145 R HN 0.181 nan 8.270 nan 0.000 0.433 146 L N 0.474 121.666 121.223 -0.052 0.000 2.027 146 L HA -0.059 4.282 4.340 0.001 0.000 0.206 146 L C 2.239 179.058 176.870 -0.085 0.000 1.074 146 L CA 2.037 56.811 54.840 -0.110 0.000 0.745 146 L CB -0.614 41.355 42.059 -0.149 0.000 0.898 146 L HN 0.118 nan 8.230 nan 0.000 0.433 147 A N -0.824 121.964 122.820 -0.053 0.000 1.940 147 A HA -0.304 4.016 4.320 0.001 0.000 0.219 147 A C 2.046 179.660 177.584 0.051 0.000 1.176 147 A CA 2.090 54.123 52.037 -0.007 0.000 0.631 147 A CB -1.056 17.922 19.000 -0.036 0.000 0.814 147 A HN 0.622 nan 8.150 nan 0.000 0.446 148 D N -0.792 119.621 120.400 0.022 0.000 2.084 148 D HA -0.111 4.530 4.640 0.001 0.000 0.196 148 D C 1.858 178.233 176.300 0.126 0.000 0.985 148 D CA 1.544 55.585 54.000 0.068 0.000 0.826 148 D CB -0.095 40.722 40.800 0.029 0.000 0.978 148 D HN 0.113 nan 8.370 nan 0.000 0.456 149 V N 0.740 120.700 119.914 0.076 0.000 2.252 149 V HA -0.265 3.856 4.120 0.001 0.000 0.249 149 V C 2.612 178.765 176.094 0.098 0.000 1.056 149 V CA 1.513 63.865 62.300 0.087 0.000 1.022 149 V CB -0.606 31.261 31.823 0.074 0.000 0.641 149 V HN 0.361 nan 8.190 nan 0.000 0.445 150 L N -1.205 120.055 121.223 0.062 0.000 2.141 150 L HA -0.192 4.149 4.340 0.001 0.000 0.209 150 L C 2.392 179.334 176.870 0.120 0.000 1.094 150 L CA 1.676 56.552 54.840 0.060 0.000 0.763 150 L CB -0.572 41.483 42.059 -0.007 0.000 0.908 150 L HN 0.601 nan 8.230 nan 0.000 0.437 151 W N 2.093 123.387 121.300 -0.010 0.000 2.355 151 W HA -0.227 4.434 4.660 0.001 0.000 0.309 151 W C 1.893 178.421 176.519 0.014 0.000 1.206 151 W CA 1.985 59.331 57.345 0.002 0.000 1.284 151 W CB -0.237 29.226 29.460 0.004 0.000 1.145 151 W HN 0.249 nan 8.180 nan 0.000 0.502 152 N N -0.119 118.683 118.700 0.170 0.000 2.309 152 N HA -0.126 4.615 4.740 0.001 0.000 0.182 152 N C 1.632 177.139 175.510 -0.004 0.000 1.018 152 N CA 1.744 54.830 53.050 0.059 0.000 0.876 152 N CB -0.420 38.144 38.487 0.127 0.000 0.972 152 N HN -0.131 nan 8.380 nan 0.000 0.434 153 S N 0.332 116.044 115.700 0.021 0.000 2.562 153 S HA 0.026 4.497 4.470 0.001 0.000 0.221 153 S C 0.154 174.736 174.600 -0.031 0.000 0.975 153 S CA 0.026 58.236 58.200 0.016 0.000 0.918 153 S CB 0.080 63.321 63.200 0.068 0.000 0.772 153 S HN 0.261 nan 8.310 nan 0.000 0.531 154 Q N 0.240 119.979 119.800 -0.101 0.000 2.494 154 Q HA -0.161 4.180 4.340 0.001 0.000 0.266 154 Q C -0.740 175.213 176.000 -0.080 0.000 1.053 154 Q CA 0.588 56.296 55.803 -0.158 0.000 1.029 154 Q CB -1.638 27.010 28.738 -0.150 0.000 1.423 154 Q HN 0.435 nan 8.270 nan 0.000 0.516 155 I N 0.942 121.498 120.570 -0.024 0.000 2.331 155 I HA 0.281 4.452 4.170 0.001 0.000 0.292 155 I C -1.924 174.196 176.117 0.005 0.000 0.998 155 I CA -2.557 58.750 61.300 0.011 0.000 1.267 155 I CB 0.281 38.320 38.000 0.065 0.000 1.386 155 I HN -0.211 nan 8.210 nan 0.000 0.476 156 P HA 0.120 nan 4.420 nan 0.000 0.261 156 P C -0.534 176.757 177.300 -0.015 0.000 1.203 156 P CA -0.033 63.054 63.100 -0.021 0.000 0.767 156 P CB 0.461 32.134 31.700 -0.045 0.000 0.785 157 L N 5.473 126.693 121.223 -0.004 0.000 2.334 157 L HA 0.656 4.997 4.340 0.001 0.000 0.276 157 L C -1.316 175.548 176.870 -0.009 0.000 1.014 157 L CA -0.777 54.058 54.840 -0.009 0.000 0.815 157 L CB 1.642 43.705 42.059 0.007 0.000 1.268 157 L HN 0.118 nan 8.230 nan 0.000 0.428 158 L N 6.027 127.246 121.223 -0.007 0.000 2.372 158 L HA 0.578 4.919 4.340 0.001 0.000 0.273 158 L C -1.092 175.805 176.870 0.046 0.000 0.989 158 L CA -0.065 54.788 54.840 0.021 0.000 0.841 158 L CB 1.226 43.293 42.059 0.013 0.000 1.225 158 L HN 0.533 nan 8.230 nan 0.000 0.414 159 I N 4.531 125.152 120.570 0.085 0.000 2.325 159 I HA 0.356 4.527 4.170 0.001 0.000 0.291 159 I C -0.505 175.714 176.117 0.169 0.000 1.019 159 I CA -0.276 61.102 61.300 0.130 0.000 1.302 159 I CB 0.846 38.959 38.000 0.188 0.000 1.401 159 I HN 0.538 nan 8.210 nan 0.000 0.485 160 C N 5.474 124.871 119.300 0.161 0.000 2.493 160 C HA 0.745 5.206 4.460 0.001 0.000 0.326 160 C C 0.122 175.247 174.990 0.226 0.000 1.200 160 C CA -0.802 58.325 59.018 0.181 0.000 1.739 160 C CB 1.774 29.573 27.740 0.099 0.000 2.300 160 C HN 0.777 nan 8.230 nan 0.000 0.500 161 R N 0.697 121.368 120.500 0.286 0.000 2.515 161 R HA 0.498 4.838 4.340 0.001 0.000 0.278 161 R C -1.438 174.968 176.300 0.178 0.000 1.107 161 R CA 0.038 56.265 56.100 0.212 0.000 0.945 161 R CB 1.478 31.895 30.300 0.196 0.000 1.219 161 R HN 0.843 nan 8.270 nan 0.000 0.434 162 T N 4.005 118.616 114.554 0.094 0.000 2.758 162 T HA 0.307 4.658 4.350 0.001 0.000 0.285 162 T C -1.552 173.145 174.700 -0.006 0.000 0.981 162 T CA -0.200 61.926 62.100 0.043 0.000 0.965 162 T CB 0.602 69.470 68.868 0.000 0.000 0.927 162 T HN 0.437 nan 8.240 nan 0.000 0.448 163 Y N 2.627 122.805 120.300 -0.204 0.000 2.333 163 Y HA 0.469 5.020 4.550 0.001 0.000 0.324 163 Y C 0.759 176.291 175.900 -0.613 0.000 1.033 163 Y CA 0.306 58.214 58.100 -0.321 0.000 1.224 163 Y CB 0.533 38.848 38.460 -0.242 0.000 1.120 163 Y HN 0.978 nan 8.280 nan 0.000 0.457 164 G N 3.617 111.913 108.800 -0.839 0.000 2.596 164 G HA2 -0.340 3.621 3.960 0.001 0.000 0.295 164 G HA3 -0.340 3.621 3.960 0.001 0.000 0.295 164 G C 0.514 174.844 174.900 -0.950 0.000 1.240 164 G CA 0.416 44.716 45.100 -1.333 0.000 0.985 164 G HN 0.729 nan 8.290 nan 0.000 0.555 165 L N 0.675 121.214 121.223 -1.140 0.000 2.599 165 L HA 0.210 4.551 4.340 0.001 0.000 0.230 165 L C 0.913 177.534 176.870 -0.414 0.000 1.141 165 L CA 0.013 54.551 54.840 -0.503 0.000 0.877 165 L CB -0.225 41.670 42.059 -0.273 0.000 1.009 165 L HN 0.232 nan 8.230 nan 0.000 0.447 166 V N 0.206 119.874 119.914 -0.410 0.000 2.509 166 V HA 0.542 4.662 4.120 0.001 0.000 0.284 166 V C 0.584 176.664 176.094 -0.023 0.000 1.047 166 V CA -0.462 61.735 62.300 -0.172 0.000 0.952 166 V CB 1.338 33.151 31.823 -0.016 0.000 0.988 166 V HN 0.241 nan 8.190 nan 0.000 0.469 167 G N 3.369 112.230 108.800 0.101 0.000 2.590 167 G HA2 0.624 4.585 3.960 0.001 0.000 0.310 167 G HA3 0.624 4.585 3.960 0.001 0.000 0.310 167 G C -1.804 173.299 174.900 0.338 0.000 1.347 167 G CA -0.458 44.810 45.100 0.280 0.000 0.963 167 G HN 0.689 nan 8.290 nan 0.000 0.494 168 Y N 2.719 123.128 120.300 0.181 0.000 2.470 168 Y HA 0.721 5.271 4.550 0.001 0.000 0.341 168 Y C -0.772 175.241 175.900 0.188 0.000 1.021 168 Y CA -1.418 56.790 58.100 0.180 0.000 1.025 168 Y CB 2.116 40.666 38.460 0.151 0.000 1.266 168 Y HN 0.754 nan 8.280 nan 0.000 0.448 169 M N 5.102 124.448 119.600 -0.423 0.000 2.322 169 M HA 0.611 5.091 4.480 0.001 0.000 0.286 169 M C -2.034 174.096 176.300 -0.283 0.000 1.111 169 M CA -0.935 54.185 55.300 -0.301 0.000 0.941 169 M CB 2.501 35.080 32.600 -0.034 0.000 1.671 169 M HN 0.661 nan 8.290 nan 0.000 0.470 170 R N 2.737 123.158 120.500 -0.131 0.000 2.343 170 R HA 0.749 5.090 4.340 0.001 0.000 0.320 170 R C -1.930 174.445 176.300 0.125 0.000 0.956 170 R CA -0.334 55.806 56.100 0.067 0.000 0.836 170 R CB 1.421 31.782 30.300 0.101 0.000 1.151 170 R HN 0.977 nan 8.270 nan 0.000 0.450 171 I N 5.393 125.967 120.570 0.006 0.000 2.440 171 I HA 0.419 4.590 4.170 0.001 0.000 0.294 171 I C -0.734 175.316 176.117 -0.113 0.000 0.995 171 I CA -0.676 60.507 61.300 -0.194 0.000 1.306 171 I CB 0.805 38.401 38.000 -0.673 0.000 1.407 171 I HN 0.708 nan 8.210 nan 0.000 0.501 172 I N 8.610 129.154 120.570 -0.042 0.000 2.649 172 I HA 0.355 4.526 4.170 0.001 0.000 0.275 172 I C -1.016 175.157 176.117 0.094 0.000 1.153 172 I CA -0.138 61.207 61.300 0.076 0.000 1.069 172 I CB 0.620 38.707 38.000 0.146 0.000 1.227 172 I HN 0.333 nan 8.210 nan 0.000 0.505 173 I N 4.734 125.336 120.570 0.052 0.000 2.418 173 I HA 0.269 4.439 4.170 0.001 0.000 0.287 173 I C 1.274 177.431 176.117 0.066 0.000 1.008 173 I CA -0.610 60.702 61.300 0.020 0.000 1.104 173 I CB 2.368 40.334 38.000 -0.057 0.000 1.264 173 I HN 0.511 nan 8.210 nan 0.000 0.438 174 K N 4.434 124.793 120.400 -0.069 0.000 2.044 174 K HA -0.127 4.194 4.320 0.001 0.000 0.210 174 K C 0.465 177.074 176.600 0.014 0.000 1.049 174 K CA 1.730 57.937 56.287 -0.135 0.000 0.927 174 K CB 0.304 32.450 32.500 -0.589 0.000 0.713 174 K HN 0.694 nan 8.250 nan 0.000 0.443 175 E N -0.572 119.626 120.200 -0.002 0.000 2.311 175 E HA 0.073 4.424 4.350 0.001 0.000 0.281 175 E C -1.977 174.654 176.600 0.051 0.000 0.905 175 E CA -0.621 55.808 56.400 0.047 0.000 0.778 175 E CB 1.124 30.869 29.700 0.075 0.000 1.240 175 E HN 0.257 nan 8.360 nan 0.000 0.410 176 H N 4.947 123.962 119.070 -0.091 0.000 2.953 176 H HA 0.447 5.004 4.556 0.001 0.000 0.290 176 H C -2.731 172.453 175.328 -0.240 0.000 1.113 176 H CA -1.920 54.043 56.048 -0.142 0.000 1.454 176 H CB 1.342 31.039 29.762 -0.108 0.000 1.525 176 H HN 0.251 nan 8.280 nan 0.000 0.505 177 P HA 0.202 nan 4.420 nan 0.000 0.296 177 P C -1.161 175.604 177.300 -0.892 0.000 1.306 177 P CA -0.626 61.861 63.100 -1.022 0.000 0.818 177 P CB 1.915 32.553 31.700 -1.771 0.000 0.969 178 V N 5.026 124.578 119.914 -0.602 0.000 2.604 178 V HA 0.388 4.509 4.120 0.001 0.000 0.305 178 V C 0.333 176.372 176.094 -0.092 0.000 1.043 178 V CA -0.480 61.633 62.300 -0.311 0.000 0.888 178 V CB 1.515 33.223 31.823 -0.192 0.000 0.995 178 V HN 0.445 nan 8.190 nan 0.000 0.429 179 I N 3.372 123.928 120.570 -0.024 0.000 2.900 179 I HA 0.292 4.463 4.170 0.001 0.000 0.251 179 I C 1.278 177.390 176.117 -0.008 0.000 1.102 179 I CA 0.230 61.549 61.300 0.032 0.000 1.457 179 I CB 0.291 38.309 38.000 0.031 0.000 1.285 179 I HN 0.657 nan 8.210 nan 0.000 0.459 180 E N 1.803 121.974 120.200 -0.047 0.000 1.892 180 E HA 0.032 4.383 4.350 0.001 0.000 0.271 180 E C 0.812 177.325 176.600 -0.145 0.000 1.146 180 E CA -0.134 56.193 56.400 -0.122 0.000 1.096 180 E CB 0.320 29.949 29.700 -0.118 0.000 1.155 180 E HN 0.307 nan 8.360 nan 0.000 0.458 181 S N 1.861 117.508 115.700 -0.088 0.000 2.603 181 S HA -0.067 4.403 4.470 0.001 0.000 0.220 181 S C 0.324 174.906 174.600 -0.029 0.000 0.967 181 S CA -0.021 58.159 58.200 -0.034 0.000 0.920 181 S CB -0.268 62.945 63.200 0.021 0.000 0.773 181 S HN 0.740 nan 8.310 nan 0.000 0.529 182 H N 1.860 120.800 119.070 -0.216 0.000 2.604 182 H HA -0.069 4.488 4.556 0.001 0.000 0.321 182 H C -2.329 172.921 175.328 -0.131 0.000 1.132 182 H CA 0.597 56.528 56.048 -0.195 0.000 1.129 182 H CB -1.744 27.857 29.762 -0.268 0.000 1.526 182 H HN 0.529 nan 8.280 nan 0.000 0.415 183 P HA -0.022 nan 4.420 nan 0.000 0.268 183 P C 0.631 177.852 177.300 -0.132 0.000 1.204 183 P CA -0.017 62.958 63.100 -0.208 0.000 0.768 183 P CB 1.028 32.447 31.700 -0.469 0.000 0.842 184 D N 1.464 121.835 120.400 -0.049 0.000 2.144 184 D HA -0.093 4.548 4.640 0.001 0.000 0.199 184 D C 0.100 176.375 176.300 -0.042 0.000 0.984 184 D CA 1.592 55.580 54.000 -0.019 0.000 0.834 184 D CB 0.197 40.996 40.800 -0.002 0.000 0.955 184 D HN 0.519 nan 8.370 nan 0.000 0.465 185 N N -1.378 117.284 118.700 -0.064 0.000 2.329 185 N HA 0.588 5.329 4.740 0.001 0.000 0.282 185 N C -1.426 174.043 175.510 -0.069 0.000 1.198 185 N CA -0.536 52.484 53.050 -0.049 0.000 0.790 185 N CB 2.819 41.297 38.487 -0.015 0.000 1.579 185 N HN -0.027 nan 8.380 nan 0.000 0.475 186 A N 0.747 123.554 122.820 -0.022 0.000 2.604 186 A HA 0.564 4.885 4.320 0.001 0.000 0.295 186 A C -1.577 176.062 177.584 0.092 0.000 1.067 186 A CA -0.633 51.433 52.037 0.048 0.000 0.683 186 A CB 0.768 19.823 19.000 0.092 0.000 1.281 186 A HN 0.547 nan 8.150 nan 0.000 0.407 187 L N 2.129 123.418 121.223 0.110 0.000 2.453 187 L HA 0.195 4.536 4.340 0.001 0.000 0.272 187 L C 0.586 177.522 176.870 0.111 0.000 1.182 187 L CA -0.167 54.732 54.840 0.098 0.000 0.858 187 L CB 0.427 42.537 42.059 0.085 0.000 1.120 187 L HN 0.617 nan 8.230 nan 0.000 0.474 188 E N 1.701 121.960 120.200 0.097 0.000 2.398 188 E HA -0.026 4.325 4.350 0.001 0.000 0.263 188 E C -0.749 175.885 176.600 0.056 0.000 1.046 188 E CA -0.095 56.349 56.400 0.074 0.000 0.908 188 E CB 0.853 30.593 29.700 0.067 0.000 0.963 188 E HN 0.351 nan 8.360 nan 0.000 0.431 189 D N 2.913 123.325 120.400 0.020 0.000 2.500 189 D HA 0.139 4.780 4.640 0.001 0.000 0.219 189 D C 0.413 176.749 176.300 0.059 0.000 1.137 189 D CA -0.002 54.020 54.000 0.037 0.000 0.946 189 D CB -0.154 40.654 40.800 0.014 0.000 1.022 189 D HN 0.286 nan 8.370 nan 0.000 0.518 190 L N 2.143 123.428 121.223 0.104 0.000 2.515 190 L HA 0.203 4.544 4.340 0.001 0.000 0.223 190 L C 1.060 178.125 176.870 0.325 0.000 1.079 190 L CA -0.317 54.628 54.840 0.174 0.000 0.857 190 L CB 0.071 42.193 42.059 0.105 0.000 1.050 190 L HN 0.256 nan 8.230 nan 0.000 0.476 191 R N -0.246 120.387 120.500 0.221 0.000 3.863 191 R HA -0.209 4.132 4.340 0.001 0.000 0.313 191 R C 1.149 177.528 176.300 0.132 0.000 1.202 191 R CA 0.560 56.770 56.100 0.183 0.000 0.852 191 R CB -2.625 27.827 30.300 0.254 0.000 1.292 191 R HN 0.393 nan 8.270 nan 0.000 0.519 192 L N 1.057 122.367 121.223 0.144 0.000 2.187 192 L HA -0.194 4.146 4.340 0.001 0.000 0.213 192 L C 2.383 179.285 176.870 0.054 0.000 1.100 192 L CA 2.125 57.040 54.840 0.125 0.000 0.765 192 L CB -0.403 41.727 42.059 0.118 0.000 0.904 192 L HN 0.310 nan 8.230 nan 0.000 0.437 193 D N -0.198 120.223 120.400 0.035 0.000 2.277 193 D HA -0.149 4.492 4.640 0.001 0.000 0.208 193 D C 0.704 176.999 176.300 -0.008 0.000 0.962 193 D CA 0.787 54.783 54.000 -0.006 0.000 0.865 193 D CB 0.139 40.935 40.800 -0.006 0.000 0.939 193 D HN 0.222 nan 8.370 nan 0.000 0.510 194 K N 0.924 121.337 120.400 0.021 0.000 3.157 194 K HA 0.299 4.620 4.320 0.001 0.000 0.173 194 K C -2.803 173.818 176.600 0.036 0.000 1.127 194 K CA -1.286 55.014 56.287 0.021 0.000 0.849 194 K CB 2.204 34.727 32.500 0.039 0.000 1.038 194 K HN 0.012 nan 8.250 nan 0.000 0.603 195 P HA 0.051 nan 4.420 nan 0.000 0.275 195 P C -0.485 176.757 177.300 -0.097 0.000 1.227 195 P CA -0.359 62.681 63.100 -0.100 0.000 0.781 195 P CB 0.239 31.884 31.700 -0.091 0.000 0.906 196 F N 1.815 121.717 119.950 -0.080 0.000 2.429 196 F HA 0.415 4.943 4.527 0.001 0.000 0.348 196 F C -1.531 174.200 175.800 -0.115 0.000 1.109 196 F CA -2.754 55.193 58.000 -0.089 0.000 1.232 196 F CB -1.071 37.875 39.000 -0.090 0.000 1.157 196 F HN 0.215 nan 8.300 nan 0.000 0.564 197 P HA -0.249 nan 4.420 nan 0.000 0.220 197 P C 1.017 178.306 177.300 -0.017 0.000 1.155 197 P CA 2.232 65.343 63.100 0.018 0.000 0.880 197 P CB 0.087 31.813 31.700 0.044 0.000 0.790 198 E N -1.596 118.669 120.200 0.109 0.000 2.268 198 E HA -0.124 4.227 4.350 0.001 0.000 0.195 198 E C 1.797 178.290 176.600 -0.179 0.000 0.995 198 E CA 0.522 56.955 56.400 0.054 0.000 0.836 198 E CB -0.759 29.054 29.700 0.188 0.000 0.763 198 E HN 0.165 nan 8.360 nan 0.000 0.491 199 L N 0.421 121.297 121.223 -0.577 0.000 2.049 199 L HA -0.038 4.303 4.340 0.001 0.000 0.203 199 L C 2.554 178.902 176.870 -0.871 0.000 1.074 199 L CA 2.158 56.359 54.840 -1.065 0.000 0.749 199 L CB -0.747 40.229 42.059 -1.805 0.000 0.907 199 L HN 0.040 nan 8.230 nan 0.000 0.439 200 R N 0.003 120.190 120.500 -0.522 0.000 2.119 200 R HA -0.241 4.100 4.340 0.001 0.000 0.246 200 R C 2.071 178.311 176.300 -0.100 0.000 1.146 200 R CA 2.131 58.114 56.100 -0.195 0.000 0.962 200 R CB -1.755 28.498 30.300 -0.077 0.000 0.863 200 R HN 0.669 nan 8.270 nan 0.000 0.442 201 E N -1.008 119.124 120.200 -0.113 0.000 2.070 201 E HA -0.228 4.123 4.350 0.001 0.000 0.197 201 E C 2.147 178.733 176.600 -0.022 0.000 1.004 201 E CA 1.354 57.725 56.400 -0.047 0.000 0.805 201 E CB -0.272 29.405 29.700 -0.038 0.000 0.744 201 E HN 0.811 nan 8.360 nan 0.000 0.451 202 H N -0.673 118.289 119.070 -0.179 0.000 2.421 202 H HA -0.124 4.432 4.556 0.001 0.000 0.298 202 H C 1.877 177.292 175.328 0.144 0.000 1.087 202 H CA 1.151 57.141 56.048 -0.097 0.000 1.330 202 H CB 0.110 29.749 29.762 -0.206 0.000 1.388 202 H HN 0.122 nan 8.280 nan 0.000 0.526 203 F N 1.300 121.298 119.950 0.080 0.000 2.146 203 F HA -0.102 4.426 4.527 0.001 0.000 0.298 203 F C 2.691 178.538 175.800 0.077 0.000 1.096 203 F CA 0.867 58.919 58.000 0.086 0.000 1.275 203 F CB -0.820 38.193 39.000 0.021 0.000 1.008 203 F HN 0.222 nan 8.300 nan 0.000 0.480 204 Q N -0.434 119.496 119.800 0.216 0.000 2.369 204 Q HA -0.099 4.242 4.340 0.001 0.000 0.206 204 Q C 2.101 178.132 176.000 0.053 0.000 0.963 204 Q CA 1.238 57.112 55.803 0.118 0.000 0.894 204 Q CB -0.309 28.475 28.738 0.076 0.000 0.965 204 Q HN 0.399 nan 8.270 nan 0.000 0.475 205 S N -0.697 114.993 115.700 -0.017 0.000 2.603 205 S HA -0.064 4.407 4.470 0.001 0.000 0.229 205 S C 0.020 174.473 174.600 -0.245 0.000 0.972 205 S CA -0.045 58.064 58.200 -0.152 0.000 0.935 205 S CB -0.026 63.016 63.200 -0.264 0.000 0.769 205 S HN 0.219 nan 8.310 nan 0.000 0.536 206 Y N 1.510 121.788 120.300 -0.037 0.000 2.331 206 Y HA 0.533 5.084 4.550 0.001 0.000 0.338 206 Y C -0.129 175.783 175.900 0.020 0.000 0.976 206 Y CA -0.988 57.106 58.100 -0.011 0.000 1.137 206 Y CB 1.250 39.701 38.460 -0.015 0.000 1.172 206 Y HN 0.167 nan 8.280 nan 0.000 0.478 207 D N 4.683 125.201 120.400 0.196 0.000 2.481 207 D HA 0.231 4.872 4.640 0.001 0.000 0.246 207 D C 0.272 176.674 176.300 0.170 0.000 1.109 207 D CA -0.153 53.941 54.000 0.158 0.000 0.845 207 D CB 1.497 42.397 40.800 0.165 0.000 1.160 207 D HN 0.605 nan 8.370 nan 0.000 0.534 208 L N 2.736 124.033 121.223 0.123 0.000 1.988 208 L HA -0.101 4.240 4.340 0.001 0.000 0.207 208 L C 1.896 178.837 176.870 0.118 0.000 1.071 208 L CA 0.799 55.751 54.840 0.186 0.000 0.744 208 L CB -0.283 41.865 42.059 0.149 0.000 0.893 208 L HN 0.381 nan 8.230 nan 0.000 0.433 209 D N -0.724 119.630 120.400 -0.076 0.000 2.133 209 D HA -0.175 4.466 4.640 0.001 0.000 0.195 209 D C 1.038 177.142 176.300 -0.327 0.000 0.997 209 D CA 1.394 55.223 54.000 -0.285 0.000 0.840 209 D CB -0.393 40.099 40.800 -0.514 0.000 0.947 209 D HN 0.479 nan 8.370 nan 0.000 0.452 210 H N -0.164 118.936 119.070 0.051 0.000 2.498 210 H HA 0.375 4.932 4.556 0.001 0.000 0.239 210 H C 0.406 175.772 175.328 0.062 0.000 1.586 210 H CA 0.018 56.090 56.048 0.040 0.000 1.164 210 H CB -0.281 29.500 29.762 0.030 0.000 1.597 210 H HN 0.104 nan 8.280 nan 0.000 0.516 211 M N 0.263 119.942 119.600 0.132 0.000 2.662 211 M HA 0.347 4.828 4.480 0.001 0.000 0.310 211 M C 0.875 177.240 176.300 0.108 0.000 1.204 211 M CA -0.702 54.689 55.300 0.151 0.000 0.891 211 M CB 1.933 34.678 32.600 0.243 0.000 1.732 211 M HN 0.452 nan 8.290 nan 0.000 0.467 212 E N 1.103 121.373 120.200 0.117 0.000 3.570 212 E HA 0.348 4.698 4.350 0.001 0.000 0.298 212 E C 1.024 177.678 176.600 0.091 0.000 1.489 212 E CA 0.751 57.206 56.400 0.091 0.000 1.457 212 E CB -0.289 29.467 29.700 0.093 0.000 1.247 212 E HN 0.723 nan 8.360 nan 0.000 0.778 213 K N -0.611 119.834 120.400 0.076 0.000 1.974 213 K HA 0.135 4.456 4.320 0.001 0.000 0.211 213 K C 2.727 179.376 176.600 0.081 0.000 1.039 213 K CA 2.559 58.883 56.287 0.062 0.000 0.947 213 K CB -1.622 30.907 32.500 0.047 0.000 0.735 213 K HN 0.876 nan 8.250 nan 0.000 0.441 214 K N 1.598 122.051 120.400 0.089 0.000 2.097 214 K HA -0.145 4.176 4.320 0.001 0.000 0.206 214 K C 2.114 178.793 176.600 0.132 0.000 1.049 214 K CA 1.989 58.325 56.287 0.081 0.000 0.933 214 K CB -1.051 31.586 32.500 0.229 0.000 0.717 214 K HN 0.589 nan 8.250 nan 0.000 0.442 215 D N -0.760 119.757 120.400 0.195 0.000 2.265 215 D HA -0.141 4.500 4.640 0.001 0.000 0.208 215 D C 1.707 178.155 176.300 0.246 0.000 0.977 215 D CA 0.883 55.022 54.000 0.230 0.000 0.871 215 D CB -0.130 40.790 40.800 0.200 0.000 0.925 215 D HN 0.701 nan 8.370 nan 0.000 0.485 216 H N -0.417 118.725 119.070 0.120 0.000 2.372 216 H HA 0.011 4.567 4.556 0.001 0.000 0.301 216 H C 1.580 177.000 175.328 0.154 0.000 1.065 216 H CA 1.438 57.580 56.048 0.156 0.000 1.364 216 H CB 0.338 30.177 29.762 0.129 0.000 1.406 216 H HN 0.145 nan 8.280 nan 0.000 0.521 217 S N -0.992 114.746 115.700 0.063 0.000 2.671 217 S HA -0.006 4.465 4.470 0.001 0.000 0.220 217 S C 0.445 174.915 174.600 -0.217 0.000 0.951 217 S CA -0.002 58.151 58.200 -0.079 0.000 0.932 217 S CB -0.534 62.566 63.200 -0.167 0.000 0.777 217 S HN 0.516 nan 8.310 nan 0.000 0.508 218 H N -0.236 118.898 119.070 0.106 0.000 3.230 218 H HA 0.250 4.807 4.556 0.001 0.000 0.259 218 H C -0.464 174.911 175.328 0.079 0.000 1.195 218 H CA -0.386 55.717 56.048 0.092 0.000 1.112 218 H CB 0.877 30.702 29.762 0.104 0.000 1.638 218 H HN 0.290 nan 8.280 nan 0.000 0.624 219 T N 4.889 119.510 114.554 0.111 0.000 2.779 219 T HA 0.087 4.437 4.350 0.001 0.000 0.296 219 T C -2.361 172.298 174.700 -0.069 0.000 0.938 219 T CA -1.354 60.735 62.100 -0.018 0.000 1.119 219 T CB 1.031 69.794 68.868 -0.174 0.000 0.891 219 T HN 0.132 nan 8.240 nan 0.000 0.526 220 P HA -0.065 nan 4.420 nan 0.000 0.265 220 P C 1.278 178.494 177.300 -0.140 0.000 1.187 220 P CA -0.322 62.747 63.100 -0.052 0.000 0.766 220 P CB 0.605 32.285 31.700 -0.035 0.000 0.820 221 W N 4.196 125.446 121.300 -0.084 0.000 2.421 221 W HA -0.104 4.557 4.660 0.001 0.000 0.270 221 W C 1.178 177.626 176.519 -0.119 0.000 1.233 221 W CA 0.274 57.527 57.345 -0.153 0.000 1.226 221 W CB -1.443 27.951 29.460 -0.110 0.000 1.121 221 W HN 0.141 nan 8.180 nan 0.000 0.579 222 I N 1.207 121.486 120.570 -0.484 0.000 2.179 222 I HA -0.291 3.879 4.170 0.001 0.000 0.242 222 I C 2.689 178.678 176.117 -0.213 0.000 1.088 222 I CA 1.439 62.515 61.300 -0.373 0.000 1.357 222 I CB -1.068 36.680 38.000 -0.421 0.000 1.051 222 I HN -0.220 nan 8.210 nan 0.000 0.409 223 V N 1.503 121.278 119.914 -0.232 0.000 2.255 223 V HA -0.310 3.811 4.120 0.001 0.000 0.247 223 V C 2.393 178.250 176.094 -0.394 0.000 1.051 223 V CA 2.104 64.167 62.300 -0.394 0.000 1.018 223 V CB -0.462 31.062 31.823 -0.498 0.000 0.641 223 V HN 0.321 nan 8.190 nan 0.000 0.445 224 I N -0.354 120.046 120.570 -0.283 0.000 2.118 224 I HA -0.324 3.846 4.170 0.001 0.000 0.241 224 I C 2.306 178.428 176.117 0.008 0.000 1.070 224 I CA 2.100 63.279 61.300 -0.202 0.000 1.327 224 I CB -0.428 37.307 38.000 -0.441 0.000 1.034 224 I HN 0.249 nan 8.210 nan 0.000 0.405 225 I N 0.581 121.179 120.570 0.046 0.000 2.286 225 I HA -0.280 3.891 4.170 0.001 0.000 0.248 225 I C 2.786 178.991 176.117 0.146 0.000 1.115 225 I CA 1.188 62.605 61.300 0.194 0.000 1.392 225 I CB -0.507 37.669 38.000 0.294 0.000 1.065 225 I HN 0.225 nan 8.210 nan 0.000 0.418 226 A N 1.002 123.726 122.820 -0.162 0.000 1.858 226 A HA -0.190 4.131 4.320 0.001 0.000 0.216 226 A C 2.352 179.817 177.584 -0.198 0.000 1.190 226 A CA 1.388 53.204 52.037 -0.367 0.000 0.617 226 A CB -0.385 17.842 19.000 -1.289 0.000 0.827 226 A HN 0.204 nan 8.150 nan 0.000 0.443 227 K N -0.835 119.428 120.400 -0.229 0.000 2.015 227 K HA -0.215 4.105 4.320 0.001 0.000 0.216 227 K C 1.826 178.365 176.600 -0.102 0.000 1.052 227 K CA 2.073 58.257 56.287 -0.172 0.000 0.937 227 K CB -0.796 31.566 32.500 -0.231 0.000 0.719 227 K HN 0.668 nan 8.250 nan 0.000 0.446 228 Y N 0.619 120.948 120.300 0.047 0.000 2.421 228 Y HA -0.126 4.425 4.550 0.001 0.000 0.292 228 Y C 2.206 178.334 175.900 0.381 0.000 1.136 228 Y CA 0.423 58.587 58.100 0.106 0.000 1.255 228 Y CB -0.204 38.171 38.460 -0.141 0.000 0.991 228 Y HN -0.008 nan 8.280 nan 0.000 0.552 229 L N -0.529 121.009 121.223 0.524 0.000 2.217 229 L HA -0.054 4.286 4.340 0.001 0.000 0.211 229 L C 2.323 179.403 176.870 0.351 0.000 1.107 229 L CA 1.372 56.491 54.840 0.466 0.000 0.783 229 L CB -0.645 41.528 42.059 0.191 0.000 0.919 229 L HN 0.146 nan 8.230 nan 0.000 0.442 230 A N -1.084 121.876 122.820 0.233 0.000 1.841 230 A HA -0.272 4.048 4.320 0.001 0.000 0.214 230 A C 2.258 180.006 177.584 0.274 0.000 1.195 230 A CA 1.689 53.857 52.037 0.218 0.000 0.611 230 A CB -0.769 18.299 19.000 0.113 0.000 0.835 230 A HN 0.528 nan 8.150 nan 0.000 0.443 231 Q N -1.525 118.401 119.800 0.209 0.000 2.133 231 Q HA -0.239 4.102 4.340 0.001 0.000 0.208 231 Q C 2.017 178.181 176.000 0.274 0.000 0.991 231 Q CA 2.000 57.915 55.803 0.186 0.000 0.867 231 Q CB -0.238 28.571 28.738 0.119 0.000 0.911 231 Q HN 0.871 nan 8.270 nan 0.000 0.417 232 W N -0.036 121.421 121.300 0.263 0.000 2.379 232 W HA -0.239 4.422 4.660 0.001 0.000 0.307 232 W C 1.843 178.490 176.519 0.213 0.000 1.200 232 W CA 1.454 58.964 57.345 0.275 0.000 1.297 232 W CB -0.734 28.987 29.460 0.435 0.000 1.140 232 W HN 0.281 nan 8.180 nan 0.000 0.507 233 Y N 1.866 122.394 120.300 0.381 0.000 2.165 233 Y HA -0.279 4.272 4.550 0.001 0.000 0.286 233 Y C 3.028 178.988 175.900 0.099 0.000 1.155 233 Y CA 2.836 61.071 58.100 0.225 0.000 1.164 233 Y CB -0.930 37.637 38.460 0.178 0.000 0.978 233 Y HN -0.055 nan 8.280 nan 0.000 0.513 234 S N 0.049 115.812 115.700 0.105 0.000 2.349 234 S HA -0.259 4.212 4.470 0.001 0.000 0.216 234 S C 1.817 176.357 174.600 -0.100 0.000 1.033 234 S CA 1.802 59.989 58.200 -0.021 0.000 1.021 234 S CB -0.626 62.606 63.200 0.054 0.000 0.968 234 S HN 0.645 nan 8.310 nan 0.000 0.426 235 E N 0.241 120.383 120.200 -0.097 0.000 2.515 235 E HA -0.037 4.314 4.350 0.001 0.000 0.201 235 E C 1.475 177.903 176.600 -0.287 0.000 1.071 235 E CA 1.193 57.483 56.400 -0.183 0.000 0.880 235 E CB -0.042 29.543 29.700 -0.192 0.000 0.828 235 E HN 0.886 nan 8.360 nan 0.000 0.540 236 T N -5.065 109.318 114.554 -0.286 0.000 2.975 236 T HA 0.096 4.447 4.350 0.001 0.000 0.257 236 T C 0.917 175.509 174.700 -0.180 0.000 1.003 236 T CA 0.231 62.177 62.100 -0.256 0.000 0.932 236 T CB -0.391 68.330 68.868 -0.246 0.000 1.087 236 T HN 0.189 nan 8.240 nan 0.000 0.512 237 N N 0.473 119.031 118.700 -0.237 0.000 2.669 237 N HA 0.234 4.975 4.740 0.001 0.000 0.266 237 N C 0.767 176.141 175.510 -0.226 0.000 1.024 237 N CA 1.222 54.108 53.050 -0.275 0.000 0.766 237 N CB -1.770 36.614 38.487 -0.172 0.000 0.898 237 N HN 1.649 nan 8.380 nan 0.000 0.548 238 G N -2.448 106.192 108.800 -0.266 0.000 2.399 238 G HA2 0.829 4.790 3.960 0.001 0.000 0.256 238 G HA3 0.829 4.790 3.960 0.001 0.000 0.256 238 G C 0.056 175.029 174.900 0.121 0.000 1.236 238 G CA 0.741 45.806 45.100 -0.059 0.000 0.914 238 G HN 1.825 nan 8.290 nan 0.000 0.482 239 R N -0.543 120.054 120.500 0.163 0.000 2.811 239 R HA 0.552 4.893 4.340 0.001 0.000 0.265 239 R C 1.162 177.633 176.300 0.286 0.000 1.026 239 R CA 0.797 57.021 56.100 0.207 0.000 1.142 239 R CB -0.966 29.410 30.300 0.126 0.000 1.027 239 R HN 1.512 nan 8.270 nan 0.000 0.465 240 I N -1.024 119.669 120.570 0.204 0.000 3.276 240 I HA 0.554 4.724 4.170 0.001 0.000 0.306 240 I C -2.054 174.013 176.117 -0.084 0.000 1.060 240 I CA -2.730 58.625 61.300 0.091 0.000 1.133 240 I CB 1.109 39.083 38.000 -0.044 0.000 1.473 240 I HN 0.395 nan 8.210 nan 0.000 0.649 241 P HA 0.262 nan 4.420 nan 0.000 0.276 241 P C -0.925 176.199 177.300 -0.293 0.000 1.253 241 P CA -0.138 62.687 63.100 -0.457 0.000 0.766 241 P CB 1.073 32.230 31.700 -0.906 0.000 0.845 242 K N 0.394 120.685 120.400 -0.182 0.000 2.412 242 K HA 0.089 4.410 4.320 0.001 0.000 0.201 242 K C 0.887 177.346 176.600 -0.236 0.000 1.275 242 K CA 0.369 56.551 56.287 -0.176 0.000 0.910 242 K CB -0.020 32.415 32.500 -0.108 0.000 1.346 242 K HN 0.515 nan 8.250 nan 0.000 0.490 243 T N -1.550 112.896 114.554 -0.179 0.000 2.828 243 T HA 0.073 4.424 4.350 0.001 0.000 0.290 243 T C 0.977 175.548 174.700 -0.215 0.000 1.019 243 T CA -0.212 61.752 62.100 -0.225 0.000 1.031 243 T CB 0.346 69.170 68.868 -0.073 0.000 1.001 243 T HN 0.042 nan 8.240 nan 0.000 0.531 244 Y N 1.159 121.454 120.300 -0.008 0.000 2.293 244 Y HA 0.043 4.594 4.550 0.001 0.000 0.291 244 Y C 3.046 178.947 175.900 0.002 0.000 1.137 244 Y CA 1.647 59.740 58.100 -0.010 0.000 1.202 244 Y CB -1.357 37.100 38.460 -0.005 0.000 0.990 244 Y HN 0.843 nan 8.280 nan 0.000 0.537 245 K N 0.866 121.358 120.400 0.153 0.000 2.097 245 K HA -0.204 4.117 4.320 0.001 0.000 0.206 245 K C 1.769 178.432 176.600 0.105 0.000 1.049 245 K CA 1.933 58.289 56.287 0.116 0.000 0.933 245 K CB -0.898 31.664 32.500 0.104 0.000 0.717 245 K HN 0.592 nan 8.250 nan 0.000 0.442 246 E N 0.158 120.399 120.200 0.069 0.000 2.047 246 E HA -0.117 4.234 4.350 0.001 0.000 0.191 246 E C 2.278 178.831 176.600 -0.078 0.000 0.987 246 E CA 1.232 57.662 56.400 0.049 0.000 0.799 246 E CB -0.038 29.669 29.700 0.012 0.000 0.752 246 E HN 0.553 nan 8.360 nan 0.000 0.449 247 K N 0.655 120.999 120.400 -0.093 0.000 2.283 247 K HA -0.115 4.206 4.320 0.001 0.000 0.202 247 K C 1.992 178.614 176.600 0.036 0.000 1.048 247 K CA 0.678 56.914 56.287 -0.085 0.000 0.948 247 K CB 0.097 32.555 32.500 -0.069 0.000 0.742 247 K HN 0.011 nan 8.250 nan 0.000 0.458 248 E N 1.350 121.587 120.200 0.062 0.000 2.047 248 E HA -0.163 4.187 4.350 0.001 0.000 0.191 248 E C 1.558 178.214 176.600 0.093 0.000 0.987 248 E CA 1.193 57.637 56.400 0.075 0.000 0.799 248 E CB -0.165 29.582 29.700 0.079 0.000 0.752 248 E HN 0.278 nan 8.360 nan 0.000 0.449 249 D N -0.120 120.365 120.400 0.142 0.000 2.144 249 D HA -0.142 4.499 4.640 0.001 0.000 0.199 249 D C 1.792 178.252 176.300 0.267 0.000 0.984 249 D CA 0.505 54.648 54.000 0.239 0.000 0.834 249 D CB -0.401 40.650 40.800 0.418 0.000 0.955 249 D HN 0.132 nan 8.370 nan 0.000 0.465 250 F N 1.799 121.701 119.950 -0.079 0.000 2.186 250 F HA -0.057 4.471 4.527 0.001 0.000 0.299 250 F C 2.297 178.059 175.800 -0.064 0.000 1.090 250 F CA 1.074 58.970 58.000 -0.173 0.000 1.307 250 F CB 0.091 38.779 39.000 -0.519 0.000 1.019 250 F HN -0.227 nan 8.300 nan 0.000 0.489 251 R N 0.080 120.582 120.500 0.003 0.000 2.096 251 R HA -0.157 4.184 4.340 0.001 0.000 0.235 251 R C 1.965 178.199 176.300 -0.111 0.000 1.127 251 R CA 1.579 57.633 56.100 -0.076 0.000 0.968 251 R CB -0.520 29.774 30.300 -0.010 0.000 0.861 251 R HN 0.310 nan 8.270 nan 0.000 0.440 252 D N 0.617 120.996 120.400 -0.036 0.000 2.117 252 D HA -0.140 4.501 4.640 0.001 0.000 0.198 252 D C 1.873 178.142 176.300 -0.052 0.000 0.982 252 D CA 0.870 54.857 54.000 -0.022 0.000 0.828 252 D CB 0.010 40.833 40.800 0.038 0.000 0.967 252 D HN 0.051 nan 8.370 nan 0.000 0.464 253 L N 1.035 122.239 121.223 -0.032 0.000 2.083 253 L HA -0.119 4.222 4.340 0.001 0.000 0.209 253 L C 2.193 178.901 176.870 -0.269 0.000 1.083 253 L CA 1.149 55.971 54.840 -0.031 0.000 0.752 253 L CB -0.281 41.862 42.059 0.140 0.000 0.899 253 L HN -0.019 nan 8.230 nan 0.000 0.433 254 I N -0.927 119.323 120.570 -0.534 0.000 2.252 254 I HA -0.291 3.880 4.170 0.001 0.000 0.245 254 I C 2.675 178.566 176.117 -0.377 0.000 1.102 254 I CA 1.254 62.080 61.300 -0.791 0.000 1.385 254 I CB -0.321 37.318 38.000 -0.601 0.000 1.064 254 I HN 0.247 nan 8.210 nan 0.000 0.414 255 R N 0.591 120.959 120.500 -0.219 0.000 2.139 255 R HA -0.255 4.085 4.340 0.001 0.000 0.243 255 R C 2.310 178.515 176.300 -0.158 0.000 1.145 255 R CA 1.551 57.566 56.100 -0.143 0.000 0.976 255 R CB -0.041 30.205 30.300 -0.090 0.000 0.866 255 R HN 0.250 nan 8.270 nan 0.000 0.449 256 Q N -0.584 119.140 119.800 -0.127 0.000 2.061 256 Q HA -0.074 4.267 4.340 0.001 0.000 0.204 256 Q C 1.986 177.926 176.000 -0.100 0.000 0.984 256 Q CA 1.918 57.675 55.803 -0.077 0.000 0.846 256 Q CB -0.728 28.007 28.738 -0.004 0.000 0.902 256 Q HN 0.555 nan 8.270 nan 0.000 0.421 257 G N -0.018 108.722 108.800 -0.099 0.000 2.501 257 G HA2 -0.142 3.819 3.960 0.001 0.000 0.220 257 G HA3 -0.142 3.819 3.960 0.001 0.000 0.220 257 G C 0.340 174.971 174.900 -0.448 0.000 1.114 257 G CA 0.042 45.098 45.100 -0.074 0.000 0.757 257 G HN 0.309 nan 8.290 nan 0.000 0.559 258 I N 1.283 121.512 120.570 -0.568 0.000 2.664 258 I HA 0.181 4.351 4.170 0.001 0.000 0.284 258 I C 0.939 176.901 176.117 -0.258 0.000 1.154 258 I CA -0.475 60.515 61.300 -0.516 0.000 1.402 258 I CB 0.341 38.137 38.000 -0.340 0.000 1.395 258 I HN 0.031 nan 8.210 nan 0.000 0.545 259 L N 6.061 127.161 121.223 -0.206 0.000 2.418 259 L HA 0.521 4.861 4.340 0.001 0.000 0.274 259 L C 0.839 177.641 176.870 -0.113 0.000 1.135 259 L CA -0.418 54.317 54.840 -0.176 0.000 0.870 259 L CB -0.960 40.962 42.059 -0.229 0.000 1.154 259 L HN 0.846 nan 8.230 nan 0.000 0.462 260 K N 3.064 123.406 120.400 -0.097 0.000 2.233 260 K HA 0.603 4.924 4.320 0.001 0.000 0.239 260 K C 0.365 176.932 176.600 -0.055 0.000 1.064 260 K CA 0.306 56.553 56.287 -0.068 0.000 0.884 260 K CB 0.093 32.558 32.500 -0.058 0.000 1.166 260 K HN 1.405 nan 8.250 nan 0.000 0.512 261 N N -2.110 116.567 118.700 -0.040 0.000 3.091 261 N HA 0.294 5.035 4.740 0.001 0.000 0.329 261 N C 0.695 176.190 175.510 -0.024 0.000 1.430 261 N CA -0.288 52.744 53.050 -0.030 0.000 0.755 261 N CB 1.188 39.662 38.487 -0.023 0.000 1.626 261 N HN 0.484 nan 8.380 nan 0.000 0.614 262 E N -0.224 119.966 120.200 -0.018 0.000 2.070 262 E HA -0.267 4.083 4.350 0.001 0.000 0.197 262 E C 1.237 177.829 176.600 -0.013 0.000 1.004 262 E CA 1.746 58.138 56.400 -0.014 0.000 0.805 262 E CB -0.349 29.345 29.700 -0.009 0.000 0.744 262 E HN 0.586 nan 8.360 nan 0.000 0.451 263 N N -0.869 117.823 118.700 -0.013 0.000 2.120 263 N HA -0.109 4.632 4.740 0.001 0.000 0.188 263 N C 1.114 176.615 175.510 -0.014 0.000 1.024 263 N CA 1.892 54.934 53.050 -0.012 0.000 0.852 263 N CB 0.240 38.720 38.487 -0.010 0.000 1.003 263 N HN 0.257 nan 8.380 nan 0.000 0.424 264 G N -2.626 106.163 108.800 -0.018 0.000 2.370 264 G HA2 0.049 4.010 3.960 0.001 0.000 0.174 264 G HA3 0.049 4.010 3.960 0.001 0.000 0.174 264 G C -0.151 174.734 174.900 -0.025 0.000 1.002 264 G CA 0.086 45.174 45.100 -0.021 0.000 0.730 264 G HN 0.590 nan 8.290 nan 0.000 0.497 265 A N 1.550 124.355 122.820 -0.024 0.000 2.309 265 A HA 0.799 5.120 4.320 0.001 0.000 0.298 265 A C -1.887 175.677 177.584 -0.034 0.000 1.165 265 A CA -1.350 50.672 52.037 -0.026 0.000 0.821 265 A CB 0.662 19.650 19.000 -0.020 0.000 1.102 265 A HN 0.112 nan 8.150 nan 0.000 0.500 266 P HA 0.067 nan 4.420 nan 0.000 0.266 266 P C -0.256 177.019 177.300 -0.042 0.000 1.195 266 P CA 0.158 63.226 63.100 -0.054 0.000 0.768 266 P CB 0.607 32.271 31.700 -0.060 0.000 0.838 267 E N 1.489 121.661 120.200 -0.046 0.000 2.342 267 E HA 0.106 4.456 4.350 0.001 0.000 0.257 267 E C -0.429 176.161 176.600 -0.017 0.000 1.150 267 E CA -0.181 56.203 56.400 -0.026 0.000 0.926 267 E CB 0.375 30.063 29.700 -0.020 0.000 1.074 267 E HN 0.362 nan 8.360 nan 0.000 0.449 268 D N 1.442 121.841 120.400 -0.002 0.000 2.741 268 D HA 0.089 4.730 4.640 0.001 0.000 0.233 268 D C -0.670 175.647 176.300 0.028 0.000 1.160 268 D CA 0.166 54.172 54.000 0.010 0.000 1.003 268 D CB -0.109 40.697 40.800 0.011 0.000 1.064 268 D HN 0.123 nan 8.370 nan 0.000 0.503 269 E N 0.847 121.073 120.200 0.043 0.000 1.941 269 E HA 0.046 4.396 4.350 0.001 0.000 0.275 269 E C 0.729 177.407 176.600 0.130 0.000 1.113 269 E CA -0.030 56.429 56.400 0.097 0.000 0.878 269 E CB 1.017 30.812 29.700 0.159 0.000 1.070 269 E HN 0.338 nan 8.360 nan 0.000 0.399 270 E N 2.500 122.757 120.200 0.095 0.000 2.150 270 E HA -0.192 4.159 4.350 0.001 0.000 0.193 270 E C 1.726 178.383 176.600 0.094 0.000 0.985 270 E CA 0.887 57.335 56.400 0.082 0.000 0.814 270 E CB 0.197 29.934 29.700 0.062 0.000 0.752 270 E HN 0.489 nan 8.360 nan 0.000 0.466 271 N N 0.538 119.306 118.700 0.113 0.000 2.137 271 N HA -0.238 4.503 4.740 0.001 0.000 0.190 271 N C 1.511 177.016 175.510 -0.008 0.000 1.017 271 N CA 1.419 54.516 53.050 0.078 0.000 0.859 271 N CB -0.793 37.718 38.487 0.040 0.000 1.002 271 N HN 0.190 nan 8.380 nan 0.000 0.428 272 F N 1.355 121.297 119.950 -0.012 0.000 2.206 272 F HA 0.061 4.588 4.527 0.001 0.000 0.298 272 F C 2.556 178.310 175.800 -0.076 0.000 1.090 272 F CA 0.832 58.801 58.000 -0.053 0.000 1.323 272 F CB -0.014 38.944 39.000 -0.071 0.000 1.028 272 F HN -0.066 nan 8.300 nan 0.000 0.492 273 E N 0.410 120.678 120.200 0.112 0.000 2.077 273 E HA -0.210 4.141 4.350 0.001 0.000 0.193 273 E C 2.079 178.638 176.600 -0.068 0.000 0.989 273 E CA 1.177 57.586 56.400 0.016 0.000 0.800 273 E CB -0.414 29.295 29.700 0.014 0.000 0.746 273 E HN 0.538 nan 8.360 nan 0.000 0.452 274 E N 0.615 120.760 120.200 -0.092 0.000 2.058 274 E HA -0.169 4.182 4.350 0.001 0.000 0.194 274 E C 2.051 178.385 176.600 -0.444 0.000 0.997 274 E CA 1.056 57.302 56.400 -0.257 0.000 0.801 274 E CB -0.103 29.482 29.700 -0.192 0.000 0.746 274 E HN 0.203 nan 8.360 nan 0.000 0.450 275 A N 0.994 123.661 122.820 -0.255 0.000 1.908 275 A HA -0.205 4.115 4.320 0.001 0.000 0.218 275 A C 2.141 179.611 177.584 -0.191 0.000 1.181 275 A CA 1.283 53.201 52.037 -0.197 0.000 0.627 275 A CB -0.641 18.302 19.000 -0.095 0.000 0.818 275 A HN 0.177 nan 8.150 nan 0.000 0.445 276 I N -0.673 119.812 120.570 -0.142 0.000 2.226 276 I HA -0.243 3.928 4.170 0.001 0.000 0.245 276 I C 2.412 178.453 176.117 -0.127 0.000 1.100 276 I CA 1.230 62.466 61.300 -0.106 0.000 1.374 276 I CB -0.212 37.746 38.000 -0.070 0.000 1.057 276 I HN 0.140 nan 8.210 nan 0.000 0.413 277 K N 0.599 120.888 120.400 -0.184 0.000 2.057 277 K HA -0.098 4.222 4.320 0.001 0.000 0.207 277 K C 1.612 178.067 176.600 -0.242 0.000 1.049 277 K CA 1.215 57.386 56.287 -0.194 0.000 0.931 277 K CB -0.500 31.874 32.500 -0.210 0.000 0.714 277 K HN 0.359 nan 8.250 nan 0.000 0.440 278 N N 0.910 119.365 118.700 -0.409 0.000 2.467 278 N HA -0.049 4.692 4.740 0.001 0.000 0.184 278 N C 1.556 176.930 175.510 -0.227 0.000 1.106 278 N CA 0.153 52.912 53.050 -0.485 0.000 0.892 278 N CB 0.273 38.018 38.487 -1.238 0.000 0.969 278 N HN -0.111 nan 8.380 nan 0.000 0.454 279 V N 1.627 121.471 119.914 -0.117 0.000 2.546 279 V HA -0.262 3.859 4.120 0.001 0.000 0.254 279 V C 2.261 178.340 176.094 -0.026 0.000 1.076 279 V CA 1.396 63.694 62.300 -0.003 0.000 1.087 279 V CB -0.613 31.255 31.823 0.074 0.000 0.674 279 V HN 0.335 nan 8.190 nan 0.000 0.470 280 N N 0.553 119.229 118.700 -0.040 0.000 2.069 280 N HA -0.174 4.567 4.740 0.001 0.000 0.191 280 N C 1.920 177.429 175.510 -0.001 0.000 1.031 280 N CA 2.530 55.574 53.050 -0.010 0.000 0.852 280 N CB -0.221 38.254 38.487 -0.021 0.000 1.018 280 N HN 0.677 nan 8.380 nan 0.000 0.423 281 T N -3.360 111.188 114.554 -0.010 0.000 3.045 281 T HA 0.331 4.682 4.350 0.001 0.000 0.239 281 T C 1.716 176.445 174.700 0.048 0.000 1.008 281 T CA 0.514 62.628 62.100 0.024 0.000 1.143 281 T CB -0.682 68.207 68.868 0.035 0.000 0.894 281 T HN 0.158 nan 8.240 nan 0.000 0.451 282 A N 0.978 123.846 122.820 0.080 0.000 2.258 282 A HA 0.472 4.792 4.320 0.001 0.000 0.206 282 A C 1.401 179.034 177.584 0.081 0.000 1.222 282 A CA 0.195 52.325 52.037 0.154 0.000 0.822 282 A CB -0.958 18.256 19.000 0.358 0.000 0.804 282 A HN 0.597 nan 8.150 nan 0.000 0.483 283 L N 0.264 121.489 121.223 0.003 0.000 3.062 283 L HA 0.082 4.423 4.340 0.001 0.000 0.255 283 L C 1.257 178.102 176.870 -0.043 0.000 1.274 283 L CA -0.256 54.546 54.840 -0.062 0.000 1.047 283 L CB -0.220 41.734 42.059 -0.174 0.000 1.402 283 L HN 0.428 nan 8.230 nan 0.000 0.550 284 N N -0.053 118.649 118.700 0.003 0.000 2.096 284 N HA -0.228 4.512 4.740 0.001 0.000 0.195 284 N C 0.165 175.674 175.510 -0.002 0.000 1.017 284 N CA 1.339 54.395 53.050 0.011 0.000 0.870 284 N CB -0.753 37.758 38.487 0.040 0.000 1.024 284 N HN 0.263 nan 8.380 nan 0.000 0.434 285 T N -1.342 113.211 114.554 -0.002 0.000 0.758 285 T HA -0.131 4.220 4.350 0.001 0.000 0.752 285 T C -0.734 173.980 174.700 0.024 0.000 0.988 285 T CA 0.466 62.569 62.100 0.004 0.000 3.970 285 T CB -1.656 67.210 68.868 -0.003 0.000 2.245 285 T HN 0.445 nan 8.240 nan 0.000 0.393 286 T N 6.189 120.764 114.554 0.034 0.000 2.751 286 T HA 0.329 4.680 4.350 0.001 0.000 0.290 286 T C 0.374 175.098 174.700 0.041 0.000 0.919 286 T CA -0.297 61.831 62.100 0.046 0.000 1.136 286 T CB 0.425 69.331 68.868 0.063 0.000 0.875 286 T HN 0.392 nan 8.240 nan 0.000 0.532 287 Q N 2.362 122.184 119.800 0.037 0.000 2.387 287 Q HA 0.463 4.804 4.340 0.001 0.000 0.273 287 Q C -0.220 175.800 176.000 0.033 0.000 1.089 287 Q CA -0.811 55.013 55.803 0.036 0.000 0.824 287 Q CB 2.606 31.363 28.738 0.032 0.000 1.367 287 Q HN 0.620 nan 8.270 nan 0.000 0.443 288 I N 3.359 123.956 120.570 0.044 0.000 2.436 288 I HA 0.126 4.297 4.170 0.001 0.000 0.289 288 I C -1.933 174.193 176.117 0.015 0.000 1.083 288 I CA -1.590 59.734 61.300 0.039 0.000 1.372 288 I CB 0.379 38.437 38.000 0.097 0.000 1.408 288 I HN 0.160 nan 8.210 nan 0.000 0.516 289 P HA -0.018 nan 4.420 nan 0.000 0.264 289 P C 0.655 177.944 177.300 -0.018 0.000 1.183 289 P CA 0.063 63.160 63.100 -0.005 0.000 0.763 289 P CB 0.540 32.235 31.700 -0.008 0.000 0.807 290 S N 0.704 116.406 115.700 0.004 0.000 2.507 290 S HA -0.150 4.321 4.470 0.001 0.000 0.235 290 S C 1.750 176.346 174.600 -0.008 0.000 0.988 290 S CA 1.011 59.215 58.200 0.006 0.000 0.944 290 S CB -0.951 62.262 63.200 0.022 0.000 0.762 290 S HN 0.575 nan 8.310 nan 0.000 0.526 291 S N 3.180 118.871 115.700 -0.015 0.000 2.345 291 S HA -0.023 4.448 4.470 0.001 0.000 0.220 291 S C 1.848 176.398 174.600 -0.083 0.000 1.031 291 S CA 0.912 59.099 58.200 -0.022 0.000 0.996 291 S CB -0.771 62.428 63.200 -0.002 0.000 0.882 291 S HN 0.443 nan 8.310 nan 0.000 0.445 292 I N 2.060 122.534 120.570 -0.159 0.000 2.454 292 I HA -0.064 4.107 4.170 0.001 0.000 0.254 292 I C 2.702 178.516 176.117 -0.504 0.000 1.156 292 I CA 1.366 62.434 61.300 -0.386 0.000 1.433 292 I CB -1.484 36.258 38.000 -0.430 0.000 1.082 292 I HN 0.369 nan 8.210 nan 0.000 0.432 293 E N 1.602 121.684 120.200 -0.196 0.000 2.051 293 E HA -0.213 4.138 4.350 0.001 0.000 0.192 293 E C 1.763 178.371 176.600 0.013 0.000 0.991 293 E CA 1.486 57.868 56.400 -0.030 0.000 0.799 293 E CB -0.007 29.716 29.700 0.039 0.000 0.748 293 E HN 0.347 nan 8.360 nan 0.000 0.449 294 D N -0.214 120.187 120.400 0.001 0.000 2.144 294 D HA -0.141 4.500 4.640 0.001 0.000 0.199 294 D C 2.035 178.392 176.300 0.095 0.000 0.984 294 D CA 0.856 54.888 54.000 0.053 0.000 0.834 294 D CB -0.126 40.704 40.800 0.050 0.000 0.955 294 D HN 0.302 nan 8.370 nan 0.000 0.465 295 I N 0.144 120.735 120.570 0.035 0.000 2.179 295 I HA -0.250 3.921 4.170 0.001 0.000 0.242 295 I C 2.303 178.597 176.117 0.295 0.000 1.088 295 I CA 0.887 62.282 61.300 0.157 0.000 1.357 295 I CB -0.283 37.704 38.000 -0.022 0.000 1.051 295 I HN -0.058 nan 8.210 nan 0.000 0.409 296 F N 0.916 120.961 119.950 0.158 0.000 2.095 296 F HA -0.238 4.290 4.527 0.001 0.000 0.298 296 F C 2.070 177.933 175.800 0.104 0.000 1.104 296 F CA 0.725 58.797 58.000 0.121 0.000 1.232 296 F CB -0.406 38.635 39.000 0.067 0.000 0.987 296 F HN 0.167 nan 8.300 nan 0.000 0.475 297 N N 0.376 119.244 118.700 0.280 0.000 2.521 297 N HA -0.061 4.680 4.740 0.001 0.000 0.188 297 N C -0.421 175.159 175.510 0.116 0.000 1.146 297 N CA 0.441 53.590 53.050 0.165 0.000 0.893 297 N CB -0.641 37.922 38.487 0.127 0.000 0.975 297 N HN 0.259 nan 8.380 nan 0.000 0.451 298 D N 0.308 120.792 120.400 0.140 0.000 2.308 298 D HA 0.017 4.658 4.640 0.001 0.000 0.251 298 D C 0.976 177.239 176.300 -0.062 0.000 1.127 298 D CA -0.356 53.674 54.000 0.051 0.000 0.876 298 D CB 0.910 41.772 40.800 0.103 0.000 1.176 298 D HN -0.160 nan 8.370 nan 0.000 0.446 299 D N 2.686 123.031 120.400 -0.092 0.000 2.220 299 D HA -0.214 4.426 4.640 0.001 0.000 0.198 299 D C 1.450 177.606 176.300 -0.240 0.000 1.001 299 D CA 1.214 55.139 54.000 -0.125 0.000 0.875 299 D CB 0.251 40.992 40.800 -0.099 0.000 0.921 299 D HN 0.433 nan 8.370 nan 0.000 0.454 300 R N -1.073 119.138 120.500 -0.482 0.000 2.276 300 R HA 0.048 4.389 4.340 0.001 0.000 0.203 300 R C 2.187 178.080 176.300 -0.679 0.000 1.017 300 R CA 0.346 55.967 56.100 -0.799 0.000 1.010 300 R CB -0.139 29.285 30.300 -1.459 0.000 0.900 300 R HN 0.263 nan 8.270 nan 0.000 0.469 301 C N -0.207 118.894 119.300 -0.332 0.000 2.513 301 C HA 0.204 4.664 4.460 0.001 0.000 0.292 301 C C 2.321 177.346 174.990 0.060 0.000 1.359 301 C CA -0.105 58.984 59.018 0.118 0.000 1.778 301 C CB -0.461 27.524 27.740 0.409 0.000 2.180 301 C HN 0.381 nan 8.230 nan 0.000 0.509 302 I N 1.816 122.395 120.570 0.014 0.000 2.264 302 I HA -0.128 4.043 4.170 0.001 0.000 0.248 302 I C 0.353 176.463 176.117 -0.013 0.000 1.111 302 I CA 1.329 62.633 61.300 0.007 0.000 1.382 302 I CB -0.272 37.729 38.000 0.002 0.000 1.060 302 I HN 0.399 nan 8.210 nan 0.000 0.418 303 N N 1.591 120.265 118.700 -0.043 0.000 3.112 303 N HA 0.233 4.974 4.740 0.001 0.000 0.270 303 N C -0.493 174.993 175.510 -0.041 0.000 1.385 303 N CA -0.270 52.755 53.050 -0.041 0.000 0.986 303 N CB 0.613 39.068 38.487 -0.053 0.000 1.261 303 N HN 0.010 nan 8.380 nan 0.000 0.495 304 I N 1.524 122.088 120.570 -0.011 0.000 2.826 304 I HA -0.084 4.086 4.170 0.001 0.000 0.295 304 I C 1.568 177.685 176.117 -0.001 0.000 1.213 304 I CA 0.832 62.136 61.300 0.007 0.000 1.436 304 I CB -0.328 37.688 38.000 0.027 0.000 1.348 304 I HN 0.325 nan 8.210 nan 0.000 0.570 305 T N 2.664 117.219 114.554 0.001 0.000 2.762 305 T HA 0.581 4.932 4.350 0.001 0.000 0.272 305 T C 0.881 175.589 174.700 0.013 0.000 0.982 305 T CA -0.120 61.981 62.100 0.001 0.000 1.013 305 T CB 1.491 70.354 68.868 -0.009 0.000 1.309 305 T HN 0.521 nan 8.240 nan 0.000 0.572 306 K N -0.539 119.867 120.400 0.010 0.000 2.365 306 K HA 0.144 4.465 4.320 0.001 0.000 0.197 306 K C 2.020 178.632 176.600 0.019 0.000 1.042 306 K CA 1.135 57.431 56.287 0.014 0.000 0.987 306 K CB -0.922 31.583 32.500 0.008 0.000 0.779 306 K HN 0.674 nan 8.250 nan 0.000 0.484 307 Q N -0.176 119.635 119.800 0.018 0.000 2.297 307 Q HA 0.110 4.451 4.340 0.001 0.000 0.203 307 Q C 0.734 176.760 176.000 0.043 0.000 0.931 307 Q CA 0.375 56.192 55.803 0.023 0.000 0.885 307 Q CB -0.171 28.574 28.738 0.011 0.000 0.991 307 Q HN 0.416 nan 8.270 nan 0.000 0.498 308 T N 3.686 118.270 114.554 0.050 0.000 2.781 308 T HA -0.038 4.313 4.350 0.001 0.000 0.270 308 T C -2.295 172.491 174.700 0.142 0.000 1.022 308 T CA -0.336 61.823 62.100 0.099 0.000 1.144 308 T CB 0.044 68.971 68.868 0.099 0.000 1.039 308 T HN 0.082 nan 8.240 nan 0.000 0.494 309 P HA 0.289 nan 4.420 nan 0.000 0.278 309 P C 0.901 178.315 177.300 0.190 0.000 1.258 309 P CA -0.580 62.634 63.100 0.189 0.000 0.811 309 P CB 0.536 32.365 31.700 0.215 0.000 1.063 310 S N 0.601 116.373 115.700 0.119 0.000 2.389 310 S HA -0.255 4.216 4.470 0.001 0.000 0.231 310 S C 1.615 176.255 174.600 0.067 0.000 1.052 310 S CA 1.554 59.800 58.200 0.077 0.000 1.053 310 S CB -1.046 62.183 63.200 0.048 0.000 0.886 310 S HN 0.501 nan 8.310 nan 0.000 0.456 311 F N 0.145 120.048 119.950 -0.079 0.000 2.102 311 F HA -0.051 4.477 4.527 0.001 0.000 0.298 311 F C 1.683 177.349 175.800 -0.223 0.000 1.105 311 F CA 1.814 59.678 58.000 -0.226 0.000 1.239 311 F CB -0.557 38.198 39.000 -0.407 0.000 0.991 311 F HN 0.315 nan 8.300 nan 0.000 0.474 312 W N 0.298 121.663 121.300 0.107 0.000 2.584 312 W HA -0.068 4.592 4.660 0.001 0.000 0.264 312 W C 2.168 178.652 176.519 -0.060 0.000 1.264 312 W CA 0.049 57.400 57.345 0.011 0.000 1.306 312 W CB -0.183 29.362 29.460 0.142 0.000 1.110 312 W HN -0.013 nan 8.180 nan 0.000 0.606 313 I N 0.432 121.092 120.570 0.150 0.000 2.076 313 I HA -0.308 3.863 4.170 0.001 0.000 0.237 313 I C 2.165 178.276 176.117 -0.011 0.000 1.059 313 I CA 1.730 63.072 61.300 0.070 0.000 1.317 313 I CB -1.632 36.397 38.000 0.048 0.000 1.037 313 I HN 0.033 nan 8.210 nan 0.000 0.398 314 L N 0.807 121.967 121.223 -0.105 0.000 2.129 314 L HA -0.223 4.118 4.340 0.001 0.000 0.212 314 L C 2.785 179.528 176.870 -0.211 0.000 1.087 314 L CA 1.387 56.123 54.840 -0.173 0.000 0.757 314 L CB -0.778 41.136 42.059 -0.243 0.000 0.896 314 L HN 0.253 nan 8.230 nan 0.000 0.434 315 A N 0.058 122.699 122.820 -0.299 0.000 1.902 315 A HA -0.237 4.084 4.320 0.001 0.000 0.217 315 A C 2.392 180.028 177.584 0.087 0.000 1.181 315 A CA 1.831 53.765 52.037 -0.172 0.000 0.623 315 A CB -0.431 18.442 19.000 -0.213 0.000 0.818 315 A HN 0.297 nan 8.150 nan 0.000 0.443 316 R N 0.075 120.620 120.500 0.075 0.000 2.090 316 R HA 0.100 4.441 4.340 0.001 0.000 0.228 316 R C 1.957 178.253 176.300 -0.007 0.000 1.110 316 R CA 1.493 57.623 56.100 0.050 0.000 0.973 316 R CB -0.766 29.578 30.300 0.073 0.000 0.869 316 R HN 0.361 nan 8.270 nan 0.000 0.440 317 A N -0.222 122.596 122.820 -0.003 0.000 2.259 317 A HA -0.012 4.309 4.320 0.001 0.000 0.212 317 A C 1.724 179.259 177.584 -0.082 0.000 1.178 317 A CA 0.981 53.016 52.037 -0.004 0.000 0.734 317 A CB -0.373 18.633 19.000 0.010 0.000 0.774 317 A HN 0.369 nan 8.150 nan 0.000 0.481 318 L N -2.138 119.040 121.223 -0.076 0.000 2.467 318 L HA 0.118 4.459 4.340 0.001 0.000 0.213 318 L C 2.295 179.043 176.870 -0.203 0.000 1.053 318 L CA 0.695 55.494 54.840 -0.069 0.000 0.847 318 L CB -0.216 41.882 42.059 0.064 0.000 1.075 318 L HN 0.275 nan 8.230 nan 0.000 0.479 319 K N 0.428 120.563 120.400 -0.441 0.000 2.063 319 K HA -0.192 4.129 4.320 0.001 0.000 0.208 319 K C 1.941 178.302 176.600 -0.398 0.000 1.048 319 K CA 1.382 57.164 56.287 -0.842 0.000 0.928 319 K CB 0.196 32.271 32.500 -0.709 0.000 0.713 319 K HN 0.135 nan 8.250 nan 0.000 0.442 320 E N -0.035 120.027 120.200 -0.231 0.000 2.150 320 E HA -0.183 4.168 4.350 0.001 0.000 0.193 320 E C 1.737 178.161 176.600 -0.293 0.000 0.985 320 E CA 0.836 57.146 56.400 -0.150 0.000 0.814 320 E CB -0.286 29.461 29.700 0.079 0.000 0.752 320 E HN 0.357 nan 8.360 nan 0.000 0.466 321 F N 1.037 120.643 119.950 -0.573 0.000 2.171 321 F HA -0.187 4.341 4.527 0.001 0.000 0.300 321 F C 2.170 177.815 175.800 -0.258 0.000 1.090 321 F CA 0.790 58.498 58.000 -0.488 0.000 1.293 321 F CB 0.126 38.886 39.000 -0.401 0.000 1.013 321 F HN -0.194 nan 8.300 nan 0.000 0.486 322 V N 0.048 119.945 119.914 -0.028 0.000 2.515 322 V HA -0.285 3.835 4.120 0.001 0.000 0.250 322 V C 2.535 178.563 176.094 -0.110 0.000 1.058 322 V CA 1.664 63.938 62.300 -0.044 0.000 1.064 322 V CB -1.150 30.604 31.823 -0.116 0.000 0.675 322 V HN 0.468 nan 8.190 nan 0.000 0.461 323 A N -0.069 122.665 122.820 -0.143 0.000 1.874 323 A HA 0.005 4.326 4.320 0.001 0.000 0.214 323 A C 2.167 179.676 177.584 -0.126 0.000 1.189 323 A CA 1.993 53.963 52.037 -0.111 0.000 0.615 323 A CB -0.473 18.474 19.000 -0.088 0.000 0.830 323 A HN 0.499 nan 8.150 nan 0.000 0.443 324 K N -0.228 120.071 120.400 -0.168 0.000 2.849 324 K HA 0.186 4.507 4.320 0.001 0.000 0.175 324 K C 1.539 177.946 176.600 -0.323 0.000 1.113 324 K CA 1.053 57.235 56.287 -0.175 0.000 1.286 324 K CB -1.184 31.277 32.500 -0.064 0.000 1.776 324 K HN 0.299 nan 8.250 nan 0.000 0.472 325 E N 0.212 120.098 120.200 -0.522 0.000 2.284 325 E HA -0.078 4.273 4.350 0.001 0.000 0.200 325 E C 1.690 177.886 176.600 -0.673 0.000 1.008 325 E CA 1.451 57.452 56.400 -0.665 0.000 0.829 325 E CB -0.306 28.846 29.700 -0.913 0.000 0.744 325 E HN 0.669 nan 8.360 nan 0.000 0.491 326 G N -1.598 106.785 108.800 -0.696 0.000 3.189 326 G HA2 0.141 4.102 3.960 0.001 0.000 0.225 326 G HA3 0.141 4.102 3.960 0.001 0.000 0.225 326 G C 0.911 175.769 174.900 -0.069 0.000 1.159 326 G CA 0.386 45.351 45.100 -0.225 0.000 0.763 326 G HN 0.313 nan 8.290 nan 0.000 0.549 327 Q N -1.191 118.545 119.800 -0.108 0.000 2.357 327 Q HA -0.046 4.295 4.340 0.001 0.000 0.233 327 Q C 2.017 178.006 176.000 -0.019 0.000 0.868 327 Q CA 2.449 58.222 55.803 -0.050 0.000 1.272 327 Q CB -2.380 26.344 28.738 -0.023 0.000 1.757 327 Q HN 2.346 nan 8.270 nan 0.000 0.567 328 G N -2.306 106.485 108.800 -0.013 0.000 2.183 328 G HA2 -0.028 3.933 3.960 0.001 0.000 0.168 328 G HA3 -0.028 3.933 3.960 0.001 0.000 0.168 328 G C -0.118 174.815 174.900 0.054 0.000 1.008 328 G CA 0.302 45.410 45.100 0.014 0.000 0.677 328 G HN 1.201 nan 8.290 nan 0.000 0.498 329 N N -0.919 117.830 118.700 0.081 0.000 2.455 329 N HA 0.691 5.432 4.740 0.001 0.000 0.278 329 N C 0.082 175.694 175.510 0.169 0.000 1.291 329 N CA -1.064 52.053 53.050 0.112 0.000 0.780 329 N CB 1.757 40.299 38.487 0.091 0.000 1.520 329 N HN 0.069 nan 8.380 nan 0.000 0.486 330 L N 1.152 122.441 121.223 0.110 0.000 2.474 330 L HA 0.288 4.629 4.340 0.001 0.000 0.259 330 L C -1.913 174.931 176.870 -0.044 0.000 1.232 330 L CA -1.230 53.627 54.840 0.028 0.000 0.821 330 L CB -0.109 41.924 42.059 -0.042 0.000 1.108 330 L HN 0.299 nan 8.230 nan 0.000 0.495 331 P HA 0.019 nan 4.420 nan 0.000 0.271 331 P C -0.786 176.407 177.300 -0.178 0.000 1.233 331 P CA -0.342 62.541 63.100 -0.362 0.000 0.789 331 P CB 0.425 31.793 31.700 -0.553 0.000 0.951 332 V N 2.796 122.621 119.914 -0.149 0.000 2.555 332 V HA 0.067 4.188 4.120 0.001 0.000 0.286 332 V C 2.093 178.128 176.094 -0.099 0.000 1.044 332 V CA 0.230 62.478 62.300 -0.086 0.000 1.026 332 V CB 0.407 32.149 31.823 -0.134 0.000 0.981 332 V HN 0.551 nan 8.190 nan 0.000 0.480 333 R N 3.256 123.716 120.500 -0.067 0.000 2.083 333 R HA -0.068 4.273 4.340 0.001 0.000 0.237 333 R C 1.645 177.909 176.300 -0.061 0.000 1.137 333 R CA 1.800 57.847 56.100 -0.088 0.000 0.951 333 R CB -0.315 29.942 30.300 -0.073 0.000 0.851 333 R HN 1.133 nan 8.270 nan 0.000 0.434 334 G N -0.898 107.893 108.800 -0.016 0.000 2.176 334 G HA2 -0.257 3.704 3.960 0.001 0.000 0.232 334 G HA3 -0.257 3.704 3.960 0.001 0.000 0.232 334 G C 0.138 175.023 174.900 -0.026 0.000 0.986 334 G CA 0.465 45.567 45.100 0.004 0.000 0.643 334 G HN 0.567 nan 8.290 nan 0.000 0.522 335 T N -0.373 114.139 114.554 -0.069 0.000 2.925 335 T HA 0.770 5.121 4.350 0.001 0.000 0.285 335 T C -0.008 174.579 174.700 -0.189 0.000 1.021 335 T CA -0.275 61.774 62.100 -0.086 0.000 1.042 335 T CB 2.527 71.375 68.868 -0.032 0.000 1.037 335 T HN 1.283 nan 8.240 nan 0.000 0.481 336 I N -1.058 119.407 120.570 -0.175 0.000 2.647 336 I HA 0.646 4.817 4.170 0.001 0.000 0.295 336 I C -2.714 173.388 176.117 -0.025 0.000 1.078 336 I CA -2.892 58.273 61.300 -0.224 0.000 1.048 336 I CB 1.948 39.710 38.000 -0.397 0.000 1.239 336 I HN 0.393 nan 8.210 nan 0.000 0.421 337 P HA 0.063 nan 4.420 nan 0.000 0.270 337 P C -0.857 176.562 177.300 0.199 0.000 1.223 337 P CA 0.016 63.187 63.100 0.118 0.000 0.785 337 P CB 0.606 32.409 31.700 0.173 0.000 0.923 338 D N 0.841 121.339 120.400 0.164 0.000 2.382 338 D HA 0.242 4.883 4.640 0.001 0.000 0.245 338 D C 0.149 176.536 176.300 0.145 0.000 1.120 338 D CA 0.132 54.183 54.000 0.084 0.000 0.890 338 D CB 0.300 41.092 40.800 -0.013 0.000 1.201 338 D HN 0.294 nan 8.370 nan 0.000 0.433 339 M N 0.405 120.048 119.600 0.072 0.000 2.907 339 M HA 0.651 5.131 4.480 0.001 0.000 0.282 339 M C -0.341 176.011 176.300 0.087 0.000 1.259 339 M CA -1.312 54.113 55.300 0.209 0.000 0.753 339 M CB 0.857 33.600 32.600 0.239 0.000 1.744 339 M HN 0.154 nan 8.290 nan 0.000 0.434 340 I N 1.075 121.753 120.570 0.179 0.000 2.312 340 I HA 0.873 5.044 4.170 0.001 0.000 0.291 340 I C -0.062 176.137 176.117 0.138 0.000 1.031 340 I CA -0.280 61.095 61.300 0.125 0.000 1.293 340 I CB -0.404 37.681 38.000 0.142 0.000 1.403 340 I HN 0.940 nan 8.210 nan 0.000 0.484 341 A N 3.924 126.803 122.820 0.099 0.000 2.583 341 A HA 0.675 4.996 4.320 0.001 0.000 0.292 341 A C -0.853 176.757 177.584 0.044 0.000 1.045 341 A CA -0.096 52.022 52.037 0.135 0.000 0.672 341 A CB 0.543 19.653 19.000 0.184 0.000 1.283 341 A HN 1.524 nan 8.150 nan 0.000 0.419 342 D N 0.807 121.227 120.400 0.033 0.000 2.339 342 D HA 0.482 5.123 4.640 0.001 0.000 0.245 342 D C 1.145 177.475 176.300 0.051 0.000 1.115 342 D CA 0.379 54.339 54.000 -0.067 0.000 0.917 342 D CB 0.958 41.678 40.800 -0.134 0.000 1.192 342 D HN 0.274 nan 8.370 nan 0.000 0.428 343 S N 1.677 117.391 115.700 0.024 0.000 2.389 343 S HA -0.232 4.239 4.470 0.001 0.000 0.229 343 S C 2.086 176.766 174.600 0.133 0.000 1.048 343 S CA 1.514 59.760 58.200 0.075 0.000 1.117 343 S CB -1.156 62.068 63.200 0.040 0.000 1.020 343 S HN 0.792 nan 8.310 nan 0.000 0.430 344 G N 1.732 110.595 108.800 0.104 0.000 2.446 344 G HA2 -0.237 3.724 3.960 0.001 0.000 0.217 344 G HA3 -0.237 3.724 3.960 0.001 0.000 0.217 344 G C 1.380 176.376 174.900 0.159 0.000 1.168 344 G CA 0.999 46.166 45.100 0.112 0.000 0.771 344 G HN 0.484 nan 8.290 nan 0.000 0.551 345 K N -0.957 119.563 120.400 0.200 0.000 2.148 345 K HA -0.048 4.273 4.320 0.001 0.000 0.204 345 K C 2.184 178.950 176.600 0.275 0.000 1.050 345 K CA 0.980 57.439 56.287 0.287 0.000 0.942 345 K CB -0.246 32.449 32.500 0.325 0.000 0.724 345 K HN 0.418 nan 8.250 nan 0.000 0.446 346 Y N 1.693 122.057 120.300 0.107 0.000 2.153 346 Y HA -0.192 4.359 4.550 0.001 0.000 0.289 346 Y C 2.016 177.946 175.900 0.051 0.000 1.127 346 Y CA 1.165 59.302 58.100 0.061 0.000 1.131 346 Y CB -0.059 38.420 38.460 0.031 0.000 0.995 346 Y HN -0.121 nan 8.280 nan 0.000 0.505 347 I N 0.268 120.918 120.570 0.134 0.000 2.163 347 I HA -0.339 3.831 4.170 0.001 0.000 0.243 347 I C 2.341 178.438 176.117 -0.033 0.000 1.085 347 I CA 1.488 62.812 61.300 0.040 0.000 1.347 347 I CB -1.459 36.594 38.000 0.090 0.000 1.044 347 I HN 0.104 nan 8.210 nan 0.000 0.408 348 K N 0.269 120.681 120.400 0.020 0.000 2.097 348 K HA -0.124 4.196 4.320 0.001 0.000 0.206 348 K C 2.006 178.479 176.600 -0.211 0.000 1.049 348 K CA 0.855 57.140 56.287 -0.003 0.000 0.933 348 K CB -1.001 31.601 32.500 0.171 0.000 0.717 348 K HN 0.351 nan 8.250 nan 0.000 0.442 349 L N 1.043 122.137 121.223 -0.214 0.000 2.109 349 L HA -0.025 4.316 4.340 0.001 0.000 0.207 349 L C 2.549 179.291 176.870 -0.214 0.000 1.086 349 L CA 1.858 56.490 54.840 -0.346 0.000 0.760 349 L CB -0.533 41.452 42.059 -0.123 0.000 0.910 349 L HN 0.317 nan 8.230 nan 0.000 0.437 350 Q N -0.691 118.945 119.800 -0.273 0.000 2.084 350 Q HA -0.223 4.118 4.340 0.001 0.000 0.202 350 Q C 1.731 177.687 176.000 -0.073 0.000 0.978 350 Q CA 1.929 57.605 55.803 -0.211 0.000 0.844 350 Q CB -0.016 28.546 28.738 -0.293 0.000 0.898 350 Q HN 0.541 nan 8.270 nan 0.000 0.426 351 N N -0.511 118.130 118.700 -0.098 0.000 2.331 351 N HA -0.089 4.652 4.740 0.001 0.000 0.180 351 N C 1.643 177.109 175.510 -0.073 0.000 1.019 351 N CA 1.013 54.023 53.050 -0.067 0.000 0.881 351 N CB -0.033 38.420 38.487 -0.057 0.000 0.972 351 N HN 0.104 nan 8.380 nan 0.000 0.435 352 V N 0.202 120.031 119.914 -0.141 0.000 2.427 352 V HA -0.210 3.910 4.120 0.001 0.000 0.248 352 V C 1.676 177.747 176.094 -0.039 0.000 1.051 352 V CA 1.339 63.551 62.300 -0.146 0.000 1.048 352 V CB -0.736 30.871 31.823 -0.359 0.000 0.666 352 V HN 0.240 nan 8.190 nan 0.000 0.456 353 Y N -0.033 120.270 120.300 0.005 0.000 2.153 353 Y HA -0.133 4.418 4.550 0.001 0.000 0.289 353 Y C 2.861 178.717 175.900 -0.072 0.000 1.127 353 Y CA 1.802 59.926 58.100 0.040 0.000 1.131 353 Y CB -0.250 38.201 38.460 -0.015 0.000 0.995 353 Y HN -0.020 nan 8.280 nan 0.000 0.505 354 R N 0.574 121.122 120.500 0.080 0.000 2.094 354 R HA -0.211 4.130 4.340 0.001 0.000 0.239 354 R C 1.976 178.248 176.300 -0.047 0.000 1.137 354 R CA 2.059 58.159 56.100 0.000 0.000 0.943 354 R CB -0.173 30.118 30.300 -0.014 0.000 0.850 354 R HN 0.330 nan 8.270 nan 0.000 0.433 355 E N 0.539 120.703 120.200 -0.059 0.000 2.072 355 E HA -0.199 4.152 4.350 0.001 0.000 0.191 355 E C 1.840 178.362 176.600 -0.129 0.000 0.985 355 E CA 1.062 57.415 56.400 -0.078 0.000 0.801 355 E CB -0.252 29.410 29.700 -0.063 0.000 0.750 355 E HN 0.133 nan 8.360 nan 0.000 0.452 356 K N 1.492 121.763 120.400 -0.214 0.000 2.103 356 K HA -0.107 4.214 4.320 0.001 0.000 0.207 356 K C 1.847 178.272 176.600 -0.291 0.000 1.048 356 K CA 1.523 57.577 56.287 -0.387 0.000 0.930 356 K CB -0.427 31.485 32.500 -0.979 0.000 0.716 356 K HN 0.073 nan 8.250 nan 0.000 0.444 357 A N 0.754 123.446 122.820 -0.213 0.000 1.854 357 A HA -0.115 4.206 4.320 0.001 0.000 0.214 357 A C 2.090 179.597 177.584 -0.127 0.000 1.192 357 A CA 1.707 53.648 52.037 -0.161 0.000 0.611 357 A CB -0.649 18.281 19.000 -0.116 0.000 0.832 357 A HN 0.394 nan 8.150 nan 0.000 0.442 358 K N -0.387 119.953 120.400 -0.100 0.000 2.362 358 K HA -0.192 4.129 4.320 0.001 0.000 0.202 358 K C 1.948 178.507 176.600 -0.068 0.000 1.045 358 K CA 1.752 57.993 56.287 -0.077 0.000 0.936 358 K CB -0.077 32.386 32.500 -0.061 0.000 0.747 358 K HN 0.508 nan 8.250 nan 0.000 0.467 359 K N -0.344 120.009 120.400 -0.080 0.000 2.276 359 K HA -0.045 4.276 4.320 0.001 0.000 0.198 359 K C 0.824 177.414 176.600 -0.016 0.000 1.052 359 K CA 0.798 57.053 56.287 -0.053 0.000 0.984 359 K CB 0.369 32.826 32.500 -0.073 0.000 0.836 359 K HN 0.008 nan 8.250 nan 0.000 0.490 360 D N 0.810 121.185 120.400 -0.042 0.000 2.234 360 D HA 0.008 4.649 4.640 0.001 0.000 0.205 360 D C 1.559 177.800 176.300 -0.097 0.000 0.962 360 D CA 0.756 54.766 54.000 0.017 0.000 0.855 360 D CB 0.208 40.957 40.800 -0.086 0.000 0.951 360 D HN 0.286 nan 8.370 nan 0.000 0.500 361 A N 1.122 123.869 122.820 -0.122 0.000 1.841 361 A HA 0.006 4.326 4.320 0.001 0.000 0.214 361 A C 2.303 179.857 177.584 -0.049 0.000 1.195 361 A CA 1.986 53.949 52.037 -0.124 0.000 0.611 361 A CB -0.996 17.936 19.000 -0.112 0.000 0.835 361 A HN 0.193 nan 8.150 nan 0.000 0.443 362 A N -0.309 122.497 122.820 -0.024 0.000 2.032 362 A HA 0.061 4.382 4.320 0.001 0.000 0.221 362 A C 2.366 179.981 177.584 0.052 0.000 1.165 362 A CA 2.294 54.333 52.037 0.004 0.000 0.645 362 A CB -0.846 18.151 19.000 -0.004 0.000 0.807 362 A HN 1.097 nan 8.150 nan 0.000 0.453 363 A N -0.944 121.939 122.820 0.105 0.000 1.930 363 A HA 0.136 4.457 4.320 0.001 0.000 0.215 363 A C 2.174 179.953 177.584 0.326 0.000 1.176 363 A CA 1.423 53.594 52.037 0.223 0.000 0.632 363 A CB -0.622 18.584 19.000 0.342 0.000 0.819 363 A HN 0.350 nan 8.150 nan 0.000 0.445 364 V N -0.005 120.026 119.914 0.195 0.000 2.358 364 V HA -0.135 3.985 4.120 0.001 0.000 0.246 364 V C 2.784 178.947 176.094 0.115 0.000 1.047 364 V CA 1.795 64.164 62.300 0.115 0.000 1.035 364 V CB -1.344 30.402 31.823 -0.129 0.000 0.658 364 V HN 0.589 nan 8.190 nan 0.000 0.452 365 G N -0.265 108.568 108.800 0.054 0.000 2.501 365 G HA2 -0.274 3.687 3.960 0.001 0.000 0.220 365 G HA3 -0.274 3.687 3.960 0.001 0.000 0.220 365 G C 1.337 176.264 174.900 0.044 0.000 1.114 365 G CA 1.152 46.270 45.100 0.031 0.000 0.757 365 G HN 0.645 nan 8.290 nan 0.000 0.559 366 N N -0.678 118.067 118.700 0.075 0.000 2.290 366 N HA -0.020 4.720 4.740 0.001 0.000 0.179 366 N C 1.742 177.244 175.510 -0.014 0.000 1.016 366 N CA 0.185 53.246 53.050 0.019 0.000 0.871 366 N CB -0.134 38.349 38.487 -0.006 0.000 0.987 366 N HN 0.331 nan 8.380 nan 0.000 0.431 367 H N 0.172 119.253 119.070 0.018 0.000 2.491 367 H HA -0.000 4.556 4.556 0.001 0.000 0.290 367 H C 2.000 177.328 175.328 0.001 0.000 1.050 367 H CA 0.506 56.562 56.048 0.012 0.000 1.309 367 H CB 0.338 30.121 29.762 0.035 0.000 1.392 367 H HN 0.066 nan 8.280 nan 0.000 0.554 368 V N 1.191 121.168 119.914 0.104 0.000 2.223 368 V HA -0.253 3.867 4.120 0.001 0.000 0.244 368 V C 2.824 178.932 176.094 0.023 0.000 1.045 368 V CA 1.743 64.070 62.300 0.046 0.000 1.000 368 V CB -0.925 30.911 31.823 0.021 0.000 0.635 368 V HN 0.462 nan 8.190 nan 0.000 0.445 369 A N 0.052 122.876 122.820 0.008 0.000 1.940 369 A HA -0.245 4.076 4.320 0.001 0.000 0.219 369 A C 2.370 179.946 177.584 -0.014 0.000 1.176 369 A CA 2.637 54.670 52.037 -0.006 0.000 0.631 369 A CB -0.747 18.244 19.000 -0.015 0.000 0.814 369 A HN 0.573 nan 8.150 nan 0.000 0.446 370 K N -0.325 120.059 120.400 -0.027 0.000 2.362 370 K HA 0.248 4.569 4.320 0.001 0.000 0.200 370 K C 1.692 178.284 176.600 -0.014 0.000 1.046 370 K CA 1.438 57.701 56.287 -0.040 0.000 0.952 370 K CB -0.812 31.632 32.500 -0.093 0.000 0.753 370 K HN 0.567 nan 8.250 nan 0.000 0.466 371 L N -0.625 120.602 121.223 0.007 0.000 2.357 371 L HA 0.193 4.533 4.340 0.001 0.000 0.211 371 L C 2.347 179.225 176.870 0.013 0.000 1.075 371 L CA 0.135 54.985 54.840 0.017 0.000 0.830 371 L CB -0.053 42.026 42.059 0.034 0.000 0.996 371 L HN 0.159 nan 8.230 nan 0.000 0.467 372 L N 0.264 121.493 121.223 0.011 0.000 2.353 372 L HA -0.221 4.119 4.340 0.001 0.000 0.220 372 L C 3.165 180.036 176.870 0.002 0.000 1.133 372 L CA 1.178 56.023 54.840 0.008 0.000 0.798 372 L CB -1.097 40.965 42.059 0.006 0.000 0.922 372 L HN 0.436 nan 8.230 nan 0.000 0.445 373 Q N -0.138 119.661 119.800 -0.003 0.000 1.990 373 Q HA -0.205 4.136 4.340 0.001 0.000 0.200 373 Q C 2.370 178.368 176.000 -0.003 0.000 0.980 373 Q CA 2.124 57.923 55.803 -0.006 0.000 0.832 373 Q CB -1.117 27.613 28.738 -0.013 0.000 0.897 373 Q HN 0.422 nan 8.270 nan 0.000 0.427 374 S N -0.146 115.553 115.700 -0.002 0.000 2.383 374 S HA -0.115 4.356 4.470 0.001 0.000 0.229 374 S C 2.198 176.800 174.600 0.004 0.000 1.030 374 S CA 1.835 60.036 58.200 0.000 0.000 1.002 374 S CB -0.762 62.439 63.200 0.002 0.000 0.829 374 S HN 0.973 nan 8.310 nan 0.000 0.467 375 I N 0.250 120.824 120.570 0.008 0.000 2.676 375 I HA 0.354 4.525 4.170 0.001 0.000 0.259 375 I C 1.672 177.793 176.117 0.007 0.000 1.194 375 I CA 0.929 62.235 61.300 0.011 0.000 1.473 375 I CB -1.911 36.100 38.000 0.018 0.000 1.096 375 I HN 0.523 nan 8.210 nan 0.000 0.443 376 G N 0.237 109.039 108.800 0.004 0.000 2.256 376 G HA2 -0.152 3.809 3.960 0.001 0.000 0.272 376 G HA3 -0.152 3.809 3.960 0.001 0.000 0.272 376 G C -0.203 174.698 174.900 0.003 0.000 1.076 376 G CA 0.434 45.535 45.100 0.002 0.000 0.882 376 G HN 1.007 nan 8.290 nan 0.000 0.497 377 Q N -0.967 118.835 119.800 0.003 0.000 2.423 377 Q HA 0.742 5.083 4.340 0.001 0.000 0.278 377 Q C 0.369 176.370 176.000 0.001 0.000 1.097 377 Q CA -0.329 55.476 55.803 0.004 0.000 0.809 377 Q CB 1.956 30.699 28.738 0.008 0.000 1.391 377 Q HN 1.109 nan 8.270 nan 0.000 0.428 378 A N 2.559 125.379 122.820 0.000 0.000 2.565 378 A HA 0.115 4.436 4.320 0.001 0.000 0.237 378 A C -1.617 175.966 177.584 -0.002 0.000 1.053 378 A CA -0.567 51.468 52.037 -0.002 0.000 0.755 378 A CB -0.270 18.729 19.000 -0.002 0.000 0.980 378 A HN 0.569 nan 8.150 nan 0.000 0.506 379 P HA 0.051 nan 4.420 nan 0.000 0.247 379 P C -0.021 177.275 177.300 -0.006 0.000 1.225 379 P CA 0.829 63.926 63.100 -0.005 0.000 0.768 379 P CB 0.285 31.980 31.700 -0.008 0.000 1.020 380 E N -1.142 119.055 120.200 -0.005 0.000 2.583 380 E HA 0.039 4.390 4.350 0.001 0.000 0.213 380 E C 1.634 178.230 176.600 -0.006 0.000 0.989 380 E CA 0.063 56.459 56.400 -0.007 0.000 0.991 380 E CB -0.034 29.662 29.700 -0.007 0.000 1.040 380 E HN 0.170 nan 8.360 nan 0.000 0.481 381 S N 0.084 115.782 115.700 -0.004 0.000 2.419 381 S HA -0.073 4.397 4.470 0.001 0.000 0.233 381 S C 0.845 175.442 174.600 -0.004 0.000 1.016 381 S CA 0.536 58.735 58.200 -0.002 0.000 0.974 381 S CB -0.181 63.021 63.200 0.002 0.000 0.786 381 S HN 0.102 nan 8.310 nan 0.000 0.492 382 I N 3.025 123.590 120.570 -0.008 0.000 2.328 382 I HA 0.280 4.450 4.170 0.001 0.000 0.287 382 I C 0.481 176.586 176.117 -0.021 0.000 1.012 382 I CA -0.236 61.055 61.300 -0.015 0.000 1.195 382 I CB 1.382 39.370 38.000 -0.019 0.000 1.350 382 I HN 0.156 nan 8.210 nan 0.000 0.464 383 S N 3.240 118.925 115.700 -0.024 0.000 2.614 383 S HA 0.416 4.887 4.470 0.001 0.000 0.265 383 S C 1.245 175.824 174.600 -0.035 0.000 1.303 383 S CA 0.020 58.205 58.200 -0.026 0.000 1.000 383 S CB 1.108 64.294 63.200 -0.023 0.000 0.935 383 S HN 0.686 nan 8.310 nan 0.000 0.551 384 E N 0.109 120.289 120.200 -0.033 0.000 2.478 384 E HA -0.015 4.336 4.350 0.001 0.000 0.198 384 E C 1.632 178.202 176.600 -0.049 0.000 1.046 384 E CA 1.212 57.588 56.400 -0.040 0.000 0.870 384 E CB -0.590 29.090 29.700 -0.032 0.000 0.818 384 E HN 0.772 nan 8.360 nan 0.000 0.527 385 K N -0.628 119.743 120.400 -0.049 0.000 2.262 385 K HA 0.012 4.332 4.320 0.001 0.000 0.200 385 K C 2.031 178.580 176.600 -0.084 0.000 1.049 385 K CA 0.777 57.026 56.287 -0.063 0.000 0.979 385 K CB 0.242 32.710 32.500 -0.053 0.000 0.773 385 K HN 0.434 nan 8.250 nan 0.000 0.474 386 E N 0.263 120.419 120.200 -0.073 0.000 2.158 386 E HA -0.136 4.214 4.350 0.001 0.000 0.191 386 E C 1.712 178.259 176.600 -0.088 0.000 0.982 386 E CA 0.491 56.843 56.400 -0.080 0.000 0.823 386 E CB 0.168 29.833 29.700 -0.059 0.000 0.766 386 E HN 0.099 nan 8.360 nan 0.000 0.468 387 L N 1.495 122.670 121.223 -0.080 0.000 2.131 387 L HA -0.088 4.252 4.340 0.001 0.000 0.206 387 L C 2.016 178.822 176.870 -0.106 0.000 1.087 387 L CA 1.569 56.355 54.840 -0.090 0.000 0.767 387 L CB -0.071 41.944 42.059 -0.073 0.000 0.917 387 L HN -0.109 nan 8.230 nan 0.000 0.441 388 K N -0.643 119.700 120.400 -0.096 0.000 2.001 388 K HA -0.222 4.098 4.320 0.001 0.000 0.214 388 K C 2.066 178.599 176.600 -0.112 0.000 1.050 388 K CA 2.157 58.384 56.287 -0.100 0.000 0.934 388 K CB -0.480 31.969 32.500 -0.086 0.000 0.718 388 K HN 0.270 nan 8.250 nan 0.000 0.443 389 L N 0.719 121.872 121.223 -0.117 0.000 2.043 389 L HA -0.241 4.100 4.340 0.001 0.000 0.212 389 L C 2.507 179.306 176.870 -0.119 0.000 1.075 389 L CA 0.894 55.661 54.840 -0.122 0.000 0.752 389 L CB -0.383 41.590 42.059 -0.144 0.000 0.891 389 L HN 0.246 nan 8.230 nan 0.000 0.432 390 L N -1.345 119.802 121.223 -0.126 0.000 2.141 390 L HA -0.213 4.128 4.340 0.001 0.000 0.209 390 L C 2.382 179.146 176.870 -0.177 0.000 1.094 390 L CA 1.566 56.319 54.840 -0.146 0.000 0.763 390 L CB -0.243 41.723 42.059 -0.154 0.000 0.908 390 L HN 0.267 nan 8.230 nan 0.000 0.437 391 C N -1.691 117.503 119.300 -0.178 0.000 2.500 391 C HA -0.035 4.426 4.460 0.001 0.000 0.279 391 C C 2.935 177.801 174.990 -0.206 0.000 1.288 391 C CA 0.874 59.763 59.018 -0.215 0.000 1.710 391 C CB -0.546 27.066 27.740 -0.213 0.000 2.052 391 C HN 0.620 nan 8.230 nan 0.000 0.488 392 S N 1.375 116.979 115.700 -0.159 0.000 2.380 392 S HA -0.176 4.294 4.470 0.001 0.000 0.229 392 S C 1.236 175.726 174.600 -0.183 0.000 1.050 392 S CA 1.555 59.675 58.200 -0.133 0.000 1.100 392 S CB -0.430 62.721 63.200 -0.082 0.000 0.984 392 S HN 0.645 nan 8.310 nan 0.000 0.434 393 N N 1.015 119.622 118.700 -0.154 0.000 2.327 393 N HA 0.113 4.854 4.740 0.001 0.000 0.231 393 N C 1.114 176.462 175.510 -0.270 0.000 1.130 393 N CA 0.363 53.328 53.050 -0.142 0.000 0.845 393 N CB 0.326 38.828 38.487 0.024 0.000 1.073 393 N HN 0.480 nan 8.380 nan 0.000 0.496 394 S N -0.113 115.390 115.700 -0.329 0.000 2.442 394 S HA -0.075 4.396 4.470 0.001 0.000 0.236 394 S C 1.864 176.263 174.600 -0.335 0.000 1.007 394 S CA 0.714 58.738 58.200 -0.293 0.000 0.965 394 S CB 0.010 63.048 63.200 -0.271 0.000 0.773 394 S HN 0.317 nan 8.310 nan 0.000 0.504 395 A N 0.079 122.555 122.820 -0.573 0.000 2.238 395 A HA 0.494 4.814 4.320 0.001 0.000 0.210 395 A C 1.234 178.633 177.584 -0.308 0.000 1.179 395 A CA -0.052 51.658 52.037 -0.545 0.000 0.827 395 A CB -0.436 18.120 19.000 -0.740 0.000 0.856 395 A HN 0.626 nan 8.150 nan 0.000 0.488 396 F N -0.317 119.587 119.950 -0.076 0.000 2.683 396 F HA 0.347 4.875 4.527 0.001 0.000 0.306 396 F C -0.026 175.738 175.800 -0.060 0.000 1.102 396 F CA -0.689 57.273 58.000 -0.063 0.000 1.244 396 F CB 0.250 39.208 39.000 -0.071 0.000 1.029 396 F HN -0.064 nan 8.300 nan 0.000 0.545 397 L N 2.703 123.962 121.223 0.060 0.000 2.426 397 L HA 0.315 4.656 4.340 0.001 0.000 0.271 397 L C 0.198 177.091 176.870 0.037 0.000 1.169 397 L CA 0.011 54.880 54.840 0.049 0.000 0.836 397 L CB 0.250 42.318 42.059 0.015 0.000 1.112 397 L HN 0.087 nan 8.230 nan 0.000 0.465 398 R N 2.556 123.063 120.500 0.010 0.000 2.725 398 R HA 0.690 5.031 4.340 0.001 0.000 0.277 398 R C -1.452 174.776 176.300 -0.119 0.000 0.987 398 R CA -0.876 55.211 56.100 -0.021 0.000 0.901 398 R CB 2.326 32.627 30.300 0.001 0.000 1.207 398 R HN 0.299 nan 8.270 nan 0.000 0.463 399 V N 2.420 122.283 119.914 -0.084 0.000 2.443 399 V HA 0.293 4.414 4.120 0.001 0.000 0.293 399 V C -0.376 175.705 176.094 -0.022 0.000 1.021 399 V CA -0.807 61.416 62.300 -0.128 0.000 0.848 399 V CB 2.103 33.892 31.823 -0.057 0.000 0.998 399 V HN 0.441 nan 8.190 nan 0.000 0.424 400 V N 6.470 126.376 119.914 -0.013 0.000 2.370 400 V HA 0.546 4.666 4.120 0.001 0.000 0.279 400 V C 0.195 176.320 176.094 0.052 0.000 1.029 400 V CA -0.656 61.664 62.300 0.033 0.000 0.870 400 V CB 1.385 33.234 31.823 0.043 0.000 0.984 400 V HN 0.775 nan 8.190 nan 0.000 0.451 401 R N 3.016 123.552 120.500 0.061 0.000 2.589 401 R HA 0.690 5.030 4.340 0.001 0.000 0.293 401 R C -1.322 175.031 176.300 0.087 0.000 0.963 401 R CA -0.516 55.636 56.100 0.087 0.000 0.905 401 R CB 1.930 32.295 30.300 0.108 0.000 1.144 401 R HN 0.627 nan 8.270 nan 0.000 0.459 402 C N 1.977 121.357 119.300 0.133 0.000 2.417 402 C HA 0.440 4.901 4.460 0.001 0.000 0.324 402 C C 0.465 175.563 174.990 0.181 0.000 1.240 402 C CA -0.926 58.167 59.018 0.124 0.000 1.632 402 C CB 1.198 29.000 27.740 0.103 0.000 2.241 402 C HN 0.743 nan 8.230 nan 0.000 0.499 403 R N 1.697 122.240 120.500 0.070 0.000 2.543 403 R HA 0.333 4.674 4.340 0.001 0.000 0.277 403 R C 0.738 176.935 176.300 -0.171 0.000 1.074 403 R CA 0.112 56.201 56.100 -0.019 0.000 1.076 403 R CB 0.643 30.933 30.300 -0.018 0.000 0.993 403 R HN 0.936 nan 8.270 nan 0.000 0.459 404 S N 1.910 117.266 115.700 -0.573 0.000 2.596 404 S HA -0.006 4.465 4.470 0.001 0.000 0.260 404 S C 1.114 175.491 174.600 -0.372 0.000 1.336 404 S CA -0.693 56.953 58.200 -0.922 0.000 0.993 404 S CB 0.693 62.824 63.200 -1.782 0.000 0.923 404 S HN 0.556 nan 8.310 nan 0.000 0.567 405 L N 1.825 122.890 121.223 -0.262 0.000 2.056 405 L HA 0.132 4.473 4.340 0.001 0.000 0.207 405 L C 2.734 179.592 176.870 -0.021 0.000 1.078 405 L CA 2.224 57.026 54.840 -0.063 0.000 0.749 405 L CB -1.735 40.280 42.059 -0.073 0.000 0.901 405 L HN 0.969 nan 8.230 nan 0.000 0.433 406 A N -0.875 121.862 122.820 -0.139 0.000 1.908 406 A HA -0.268 4.052 4.320 0.001 0.000 0.218 406 A C 2.172 179.756 177.584 -0.001 0.000 1.181 406 A CA 1.942 53.943 52.037 -0.061 0.000 0.627 406 A CB -0.611 18.315 19.000 -0.123 0.000 0.818 406 A HN 0.569 nan 8.150 nan 0.000 0.445 407 E N -0.804 119.344 120.200 -0.088 0.000 2.058 407 E HA -0.248 4.103 4.350 0.001 0.000 0.194 407 E C 2.116 178.743 176.600 0.046 0.000 0.997 407 E CA 1.448 57.826 56.400 -0.037 0.000 0.801 407 E CB -0.157 29.484 29.700 -0.099 0.000 0.746 407 E HN 0.834 nan 8.360 nan 0.000 0.450 408 E N -0.209 120.038 120.200 0.078 0.000 2.077 408 E HA -0.197 4.153 4.350 0.001 0.000 0.193 408 E C 1.398 178.084 176.600 0.142 0.000 0.989 408 E CA 0.958 57.427 56.400 0.115 0.000 0.800 408 E CB -0.002 29.805 29.700 0.178 0.000 0.746 408 E HN 0.312 nan 8.360 nan 0.000 0.452 409 Y N 0.213 120.566 120.300 0.087 0.000 2.511 409 Y HA 0.234 4.784 4.550 0.001 0.000 0.279 409 Y C 1.103 177.179 175.900 0.293 0.000 1.157 409 Y CA 0.489 58.699 58.100 0.184 0.000 1.300 409 Y CB 0.364 38.911 38.460 0.146 0.000 1.052 409 Y HN 0.002 nan 8.280 nan 0.000 0.529 410 G N 0.202 109.182 108.800 0.299 0.000 2.365 410 G HA2 0.157 4.118 3.960 0.001 0.000 0.249 410 G HA3 0.157 4.118 3.960 0.001 0.000 0.249 410 G C 0.903 175.962 174.900 0.264 0.000 1.288 410 G CA -0.374 44.856 45.100 0.217 0.000 0.887 410 G HN 0.348 nan 8.290 nan 0.000 0.524 411 L N 1.518 122.819 121.223 0.131 0.000 2.131 411 L HA -0.057 4.284 4.340 0.001 0.000 0.210 411 L C 1.431 178.346 176.870 0.074 0.000 1.092 411 L CA 1.008 55.862 54.840 0.023 0.000 0.759 411 L CB -0.076 41.891 42.059 -0.155 0.000 0.903 411 L HN 0.374 nan 8.230 nan 0.000 0.435 412 D N -1.338 119.097 120.400 0.058 0.000 2.368 412 D HA 0.027 4.668 4.640 0.001 0.000 0.218 412 D C 1.416 177.746 176.300 0.051 0.000 1.112 412 D CA 0.736 54.762 54.000 0.043 0.000 0.834 412 D CB 0.524 41.338 40.800 0.023 0.000 0.953 412 D HN 0.379 nan 8.370 nan 0.000 0.505 413 T N -2.587 112.011 114.554 0.074 0.000 3.130 413 T HA 0.215 4.566 4.350 0.001 0.000 0.288 413 T C 0.838 175.572 174.700 0.057 0.000 0.936 413 T CA -0.408 61.726 62.100 0.057 0.000 0.897 413 T CB 0.340 69.235 68.868 0.044 0.000 1.178 413 T HN 0.036 nan 8.240 nan 0.000 0.543 414 I N 2.820 123.439 120.570 0.082 0.000 2.815 414 I HA 0.104 4.275 4.170 0.001 0.000 0.291 414 I C -0.539 175.582 176.117 0.006 0.000 1.209 414 I CA -0.046 61.272 61.300 0.030 0.000 1.431 414 I CB 0.502 38.511 38.000 0.015 0.000 1.351 414 I HN 0.016 nan 8.210 nan 0.000 0.585 415 N N 7.779 126.468 118.700 -0.019 0.000 3.178 415 N HA 0.063 4.804 4.740 0.001 0.000 0.300 415 N C 0.586 176.082 175.510 -0.023 0.000 1.242 415 N CA 0.023 53.066 53.050 -0.012 0.000 1.192 415 N CB 0.220 38.703 38.487 -0.007 0.000 1.463 415 N HN 0.552 nan 8.380 nan 0.000 0.539 416 K N 0.132 120.520 120.400 -0.020 0.000 2.034 416 K HA -0.188 4.133 4.320 0.001 0.000 0.214 416 K C 0.692 177.283 176.600 -0.015 0.000 1.051 416 K CA 1.366 57.636 56.287 -0.027 0.000 0.931 416 K CB 0.074 32.565 32.500 -0.016 0.000 0.715 416 K HN 0.243 nan 8.250 nan 0.000 0.446 417 D N 0.705 121.104 120.400 -0.000 0.000 2.133 417 D HA -0.222 4.419 4.640 0.001 0.000 0.192 417 D C 1.912 178.223 176.300 0.018 0.000 1.001 417 D CA 1.537 55.542 54.000 0.009 0.000 0.844 417 D CB -0.229 40.580 40.800 0.015 0.000 0.944 417 D HN 0.286 nan 8.370 nan 0.000 0.447 418 E N 0.332 120.545 120.200 0.023 0.000 2.051 418 E HA -0.113 4.238 4.350 0.001 0.000 0.192 418 E C 2.178 178.807 176.600 0.047 0.000 0.991 418 E CA 0.779 57.211 56.400 0.054 0.000 0.799 418 E CB -0.324 29.416 29.700 0.066 0.000 0.748 418 E HN 0.298 nan 8.360 nan 0.000 0.449 419 I N 0.263 120.824 120.570 -0.015 0.000 2.090 419 I HA -0.279 3.892 4.170 0.001 0.000 0.236 419 I C 2.388 178.492 176.117 -0.021 0.000 1.064 419 I CA 1.367 62.636 61.300 -0.053 0.000 1.324 419 I CB -0.381 37.575 38.000 -0.073 0.000 1.044 419 I HN 0.156 nan 8.210 nan 0.000 0.399 420 I N 0.137 120.696 120.570 -0.017 0.000 2.118 420 I HA -0.369 3.802 4.170 0.001 0.000 0.241 420 I C 2.823 178.947 176.117 0.011 0.000 1.070 420 I CA 1.786 63.081 61.300 -0.009 0.000 1.327 420 I CB -0.595 37.398 38.000 -0.010 0.000 1.034 420 I HN 0.292 nan 8.210 nan 0.000 0.405 421 S N 0.475 116.189 115.700 0.023 0.000 2.372 421 S HA -0.249 4.222 4.470 0.001 0.000 0.227 421 S C 2.166 176.798 174.600 0.053 0.000 1.044 421 S CA 2.393 60.614 58.200 0.036 0.000 1.050 421 S CB -0.327 62.898 63.200 0.043 0.000 0.901 421 S HN 0.472 nan 8.310 nan 0.000 0.447 422 S N 0.987 116.736 115.700 0.081 0.000 2.428 422 S HA 0.146 4.617 4.470 0.001 0.000 0.230 422 S C 1.748 176.390 174.600 0.071 0.000 1.014 422 S CA 0.849 59.125 58.200 0.126 0.000 0.957 422 S CB -0.245 63.118 63.200 0.271 0.000 0.784 422 S HN 0.435 nan 8.310 nan 0.000 0.499 423 M N 1.811 121.428 119.600 0.028 0.000 2.632 423 M HA -0.007 4.474 4.480 0.001 0.000 0.256 423 M C 1.112 177.423 176.300 0.019 0.000 1.080 423 M CA 0.506 55.810 55.300 0.007 0.000 1.084 423 M CB -1.265 31.326 32.600 -0.014 0.000 1.439 423 M HN 0.171 nan 8.290 nan 0.000 0.509 424 D N 1.054 121.470 120.400 0.027 0.000 2.126 424 D HA -0.161 4.480 4.640 0.001 0.000 0.190 424 D C 0.877 177.195 176.300 0.029 0.000 1.001 424 D CA 1.134 55.149 54.000 0.026 0.000 0.841 424 D CB -0.288 40.529 40.800 0.027 0.000 0.949 424 D HN 0.298 nan 8.370 nan 0.000 0.446 425 N N 0.863 119.585 118.700 0.037 0.000 2.405 425 N HA 0.012 4.753 4.740 0.001 0.000 0.260 425 N C -1.971 173.565 175.510 0.044 0.000 1.152 425 N CA -1.414 51.661 53.050 0.041 0.000 0.948 425 N CB 1.465 39.980 38.487 0.047 0.000 1.111 425 N HN -0.050 nan 8.380 nan 0.000 0.485 426 P HA 0.034 nan 4.420 nan 0.000 0.237 426 P C -0.522 176.837 177.300 0.099 0.000 1.178 426 P CA 0.824 63.962 63.100 0.063 0.000 0.766 426 P CB 0.449 32.194 31.700 0.076 0.000 0.876 427 D N -0.564 119.900 120.400 0.108 0.000 2.559 427 D HA 0.052 4.693 4.640 0.001 0.000 0.234 427 D C 0.236 176.583 176.300 0.079 0.000 1.226 427 D CA -0.160 53.929 54.000 0.148 0.000 0.830 427 D CB -0.236 40.668 40.800 0.173 0.000 1.028 427 D HN 0.159 nan 8.370 nan 0.000 0.492 428 N N 1.327 120.053 118.700 0.044 0.000 2.520 428 N HA -0.039 4.701 4.740 0.001 0.000 0.273 428 N C 0.988 176.520 175.510 0.037 0.000 1.155 428 N CA 0.018 53.108 53.050 0.067 0.000 0.967 428 N CB 1.534 40.078 38.487 0.094 0.000 1.092 428 N HN -0.202 nan 8.380 nan 0.000 0.457 429 E N 2.244 122.506 120.200 0.103 0.000 2.169 429 E HA -0.231 4.120 4.350 0.001 0.000 0.202 429 E C 1.463 178.028 176.600 -0.057 0.000 1.016 429 E CA 1.152 57.597 56.400 0.074 0.000 0.817 429 E CB -0.190 29.624 29.700 0.189 0.000 0.736 429 E HN 0.634 nan 8.360 nan 0.000 0.462 430 I N -0.130 120.323 120.570 -0.195 0.000 2.300 430 I HA -0.242 3.929 4.170 0.001 0.000 0.252 430 I C 2.150 178.128 176.117 -0.231 0.000 1.119 430 I CA 0.934 61.937 61.300 -0.494 0.000 1.384 430 I CB -0.309 37.318 38.000 -0.621 0.000 1.062 430 I HN 0.072 nan 8.210 nan 0.000 0.426 431 V N 0.423 120.199 119.914 -0.229 0.000 2.407 431 V HA -0.268 3.853 4.120 0.001 0.000 0.248 431 V C 2.388 178.262 176.094 -0.367 0.000 1.055 431 V CA 2.125 64.226 62.300 -0.333 0.000 1.049 431 V CB -0.308 31.194 31.823 -0.535 0.000 0.662 431 V HN 0.483 nan 8.190 nan 0.000 0.455 432 L N -0.991 120.083 121.223 -0.248 0.000 2.131 432 L HA -0.197 4.143 4.340 0.001 0.000 0.210 432 L C 2.467 179.289 176.870 -0.080 0.000 1.092 432 L CA 2.336 57.135 54.840 -0.069 0.000 0.759 432 L CB -0.908 41.214 42.059 0.104 0.000 0.903 432 L HN 0.548 nan 8.230 nan 0.000 0.435 433 Y N 0.788 120.968 120.300 -0.200 0.000 2.242 433 Y HA -0.162 4.388 4.550 0.001 0.000 0.291 433 Y C 2.296 178.010 175.900 -0.310 0.000 1.137 433 Y CA 1.303 59.278 58.100 -0.209 0.000 1.181 433 Y CB -0.099 38.250 38.460 -0.185 0.000 0.989 433 Y HN -0.017 nan 8.280 nan 0.000 0.527 434 L N -0.731 120.302 121.223 -0.316 0.000 2.093 434 L HA -0.219 4.121 4.340 0.001 0.000 0.208 434 L C 2.340 178.885 176.870 -0.541 0.000 1.085 434 L CA 0.789 55.412 54.840 -0.361 0.000 0.755 434 L CB -0.484 41.521 42.059 -0.090 0.000 0.904 434 L HN 0.284 nan 8.230 nan 0.000 0.435 435 M N -0.470 118.764 119.600 -0.611 0.000 2.132 435 M HA -0.160 4.321 4.480 0.001 0.000 0.263 435 M C 2.362 178.209 176.300 -0.755 0.000 1.065 435 M CA 1.695 56.475 55.300 -0.867 0.000 1.122 435 M CB -0.982 30.571 32.600 -1.745 0.000 1.365 435 M HN 0.209 nan 8.290 nan 0.000 0.411 436 L N -0.569 120.278 121.223 -0.626 0.000 2.042 436 L HA -0.241 4.100 4.340 0.001 0.000 0.210 436 L C 2.722 179.219 176.870 -0.621 0.000 1.076 436 L CA 1.325 55.832 54.840 -0.554 0.000 0.749 436 L CB -0.498 41.236 42.059 -0.542 0.000 0.893 436 L HN 0.288 nan 8.230 nan 0.000 0.432 437 R N -0.530 119.457 120.500 -0.855 0.000 2.115 437 R HA -0.083 4.258 4.340 0.001 0.000 0.230 437 R C 2.347 178.180 176.300 -0.778 0.000 1.111 437 R CA 1.162 56.683 56.100 -0.966 0.000 0.976 437 R CB -0.438 28.893 30.300 -1.614 0.000 0.870 437 R HN 0.367 nan 8.270 nan 0.000 0.445 438 A N 0.914 123.333 122.820 -0.668 0.000 1.858 438 A HA -0.114 4.206 4.320 0.001 0.000 0.216 438 A C 2.373 179.872 177.584 -0.142 0.000 1.190 438 A CA 1.307 53.149 52.037 -0.324 0.000 0.617 438 A CB -0.709 18.149 19.000 -0.237 0.000 0.827 438 A HN 0.095 nan 8.150 nan 0.000 0.443 439 V N 0.737 120.532 119.914 -0.198 0.000 2.380 439 V HA -0.287 3.834 4.120 0.001 0.000 0.251 439 V C 2.143 178.313 176.094 0.126 0.000 1.063 439 V CA 2.525 64.790 62.300 -0.058 0.000 1.055 439 V CB -0.795 30.857 31.823 -0.285 0.000 0.657 439 V HN 0.522 nan 8.190 nan 0.000 0.455 440 D N -0.365 120.028 120.400 -0.012 0.000 2.178 440 D HA -0.133 4.508 4.640 0.001 0.000 0.202 440 D C 2.317 178.688 176.300 0.118 0.000 0.974 440 D CA 1.265 55.310 54.000 0.075 0.000 0.841 440 D CB -0.220 40.555 40.800 -0.042 0.000 0.953 440 D HN 0.591 nan 8.370 nan 0.000 0.478 441 R N -0.434 120.103 120.500 0.062 0.000 2.210 441 R HA 0.025 4.366 4.340 0.001 0.000 0.203 441 R C 2.099 178.465 176.300 0.111 0.000 1.010 441 R CA 0.210 56.358 56.100 0.079 0.000 1.008 441 R CB -0.780 29.555 30.300 0.059 0.000 0.923 441 R HN 0.128 nan 8.270 nan 0.000 0.469 442 F N 1.879 121.840 119.950 0.019 0.000 2.075 442 F HA -0.228 4.300 4.527 0.001 0.000 0.297 442 F C 2.456 178.262 175.800 0.009 0.000 1.113 442 F CA 2.227 60.243 58.000 0.028 0.000 1.218 442 F CB -0.293 38.746 39.000 0.066 0.000 0.984 442 F HN 0.164 nan 8.300 nan 0.000 0.472 443 H N 0.849 120.079 119.070 0.266 0.000 2.290 443 H HA -0.230 4.326 4.556 0.001 0.000 0.298 443 H C 2.261 177.533 175.328 -0.094 0.000 1.087 443 H CA 2.658 58.707 56.048 0.002 0.000 1.291 443 H CB -0.353 29.246 29.762 -0.271 0.000 1.369 443 H HN 0.379 nan 8.280 nan 0.000 0.492 444 K N -0.014 120.401 120.400 0.026 0.000 2.365 444 K HA -0.106 4.214 4.320 0.001 0.000 0.199 444 K C 1.928 178.463 176.600 -0.109 0.000 1.045 444 K CA 1.379 57.648 56.287 -0.031 0.000 0.962 444 K CB 0.060 32.592 32.500 0.052 0.000 0.759 444 K HN 0.459 nan 8.250 nan 0.000 0.469 445 Q N 0.054 119.767 119.800 -0.145 0.000 2.187 445 Q HA -0.003 4.338 4.340 0.001 0.000 0.199 445 Q C 1.562 177.408 176.000 -0.256 0.000 0.957 445 Q CA 0.972 56.664 55.803 -0.186 0.000 0.857 445 Q CB 0.365 28.977 28.738 -0.210 0.000 0.929 445 Q HN 0.397 nan 8.270 nan 0.000 0.453 446 Q N -1.539 118.047 119.800 -0.355 0.000 2.246 446 Q HA 0.135 4.475 4.340 0.001 0.000 0.222 446 Q C 0.804 176.620 176.000 -0.306 0.000 0.851 446 Q CA 0.643 56.224 55.803 -0.370 0.000 0.945 446 Q CB 1.612 29.990 28.738 -0.599 0.000 1.122 446 Q HN 0.481 nan 8.270 nan 0.000 0.508 447 G N 3.015 111.570 108.800 -0.407 0.000 2.187 447 G HA2 -0.334 3.626 3.960 0.001 0.000 0.261 447 G HA3 -0.334 3.626 3.960 0.001 0.000 0.261 447 G C 0.140 174.734 174.900 -0.510 0.000 1.000 447 G CA 1.078 45.907 45.100 -0.451 0.000 0.718 447 G HN 0.417 nan 8.290 nan 0.000 0.519 448 R N -2.468 117.697 120.500 -0.559 0.000 2.709 448 R HA 0.602 4.943 4.340 0.001 0.000 0.270 448 R C -0.781 175.593 176.300 0.123 0.000 1.038 448 R CA -1.299 54.706 56.100 -0.159 0.000 0.872 448 R CB 0.760 31.084 30.300 0.040 0.000 1.259 448 R HN 0.102 nan 8.270 nan 0.000 0.473 449 Y N 0.987 121.548 120.300 0.434 0.000 2.326 449 Y HA 0.390 4.941 4.550 0.001 0.000 0.324 449 Y C -1.705 174.273 175.900 0.130 0.000 1.291 449 Y CA -2.015 56.307 58.100 0.369 0.000 1.348 449 Y CB 0.954 39.612 38.460 0.330 0.000 1.294 449 Y HN 0.393 nan 8.280 nan 0.000 0.525 450 P HA 0.089 nan 4.420 nan 0.000 0.275 450 P C 0.226 177.497 177.300 -0.048 0.000 1.227 450 P CA 0.214 63.066 63.100 -0.413 0.000 0.781 450 P CB 0.964 32.148 31.700 -0.861 0.000 0.906 451 G N 1.917 110.716 108.800 -0.001 0.000 2.283 451 G HA2 -0.270 3.691 3.960 0.001 0.000 0.280 451 G HA3 -0.270 3.691 3.960 0.001 0.000 0.280 451 G C 0.775 175.699 174.900 0.040 0.000 1.029 451 G CA 0.235 45.348 45.100 0.022 0.000 0.840 451 G HN 0.365 nan 8.290 nan 0.000 0.505 452 V N -0.207 119.756 119.914 0.081 0.000 2.379 452 V HA 0.041 4.162 4.120 0.001 0.000 0.245 452 V C 1.929 178.060 176.094 0.062 0.000 1.044 452 V CA 2.168 64.514 62.300 0.078 0.000 1.036 452 V CB 0.001 31.901 31.823 0.128 0.000 0.664 452 V HN 0.796 nan 8.190 nan 0.000 0.453 453 S N -0.061 115.691 115.700 0.087 0.000 2.541 453 S HA 0.205 4.676 4.470 0.001 0.000 0.283 453 S C 1.055 175.680 174.600 0.041 0.000 1.196 453 S CA -0.685 57.567 58.200 0.086 0.000 1.062 453 S CB 0.857 64.163 63.200 0.177 0.000 1.009 453 S HN 0.393 nan 8.310 nan 0.000 0.502 454 N N 2.898 121.565 118.700 -0.055 0.000 2.258 454 N HA -0.133 4.608 4.740 0.001 0.000 0.187 454 N C 0.916 176.368 175.510 -0.096 0.000 1.012 454 N CA 1.431 54.410 53.050 -0.117 0.000 0.870 454 N CB -0.532 37.827 38.487 -0.215 0.000 0.977 454 N HN 0.722 nan 8.380 nan 0.000 0.434 455 Y N 1.471 121.783 120.300 0.020 0.000 2.403 455 Y HA -0.121 4.430 4.550 0.001 0.000 0.291 455 Y C 2.362 178.278 175.900 0.027 0.000 1.143 455 Y CA 0.984 59.097 58.100 0.021 0.000 1.257 455 Y CB -0.130 38.343 38.460 0.022 0.000 0.984 455 Y HN 0.353 nan 8.280 nan 0.000 0.550 456 Q N -1.800 118.102 119.800 0.169 0.000 2.316 456 Q HA 0.075 4.415 4.340 0.001 0.000 0.235 456 Q C 1.730 177.782 176.000 0.087 0.000 0.863 456 Q CA 0.640 56.523 55.803 0.134 0.000 0.939 456 Q CB -0.544 28.283 28.738 0.149 0.000 1.108 456 Q HN 0.253 nan 8.270 nan 0.000 0.522 457 V N 2.312 122.257 119.914 0.051 0.000 2.277 457 V HA -0.377 3.744 4.120 0.001 0.000 0.253 457 V C 2.818 178.913 176.094 0.002 0.000 1.067 457 V CA 2.895 65.203 62.300 0.013 0.000 1.047 457 V CB -1.628 30.191 31.823 -0.007 0.000 0.649 457 V HN 0.689 nan 8.190 nan 0.000 0.447 458 E N -0.060 120.150 120.200 0.017 0.000 2.023 458 E HA -0.318 4.033 4.350 0.001 0.000 0.196 458 E C 1.982 178.587 176.600 0.009 0.000 1.003 458 E CA 1.784 58.190 56.400 0.010 0.000 0.809 458 E CB -0.711 29.005 29.700 0.027 0.000 0.755 458 E HN 0.818 nan 8.360 nan 0.000 0.449 459 E N -0.122 120.100 120.200 0.037 0.000 2.435 459 E HA -0.033 4.318 4.350 0.001 0.000 0.195 459 E C 1.361 178.003 176.600 0.070 0.000 1.029 459 E CA 0.524 56.952 56.400 0.045 0.000 0.865 459 E CB 0.174 29.907 29.700 0.054 0.000 0.833 459 E HN 0.455 nan 8.360 nan 0.000 0.510 460 D N 0.646 121.094 120.400 0.079 0.000 2.194 460 D HA -0.047 4.594 4.640 0.001 0.000 0.204 460 D C 1.787 178.122 176.300 0.057 0.000 0.964 460 D CA 0.516 54.596 54.000 0.134 0.000 0.846 460 D CB 0.041 40.899 40.800 0.096 0.000 0.962 460 D HN 0.168 nan 8.370 nan 0.000 0.490 461 I N 0.944 121.489 120.570 -0.042 0.000 2.208 461 I HA -0.213 3.958 4.170 0.001 0.000 0.245 461 I C 2.473 178.567 176.117 -0.039 0.000 1.097 461 I CA 1.397 62.623 61.300 -0.123 0.000 1.363 461 I CB -0.591 37.217 38.000 -0.320 0.000 1.051 461 I HN 0.033 nan 8.210 nan 0.000 0.413 462 G N 1.056 109.854 108.800 -0.004 0.000 2.587 462 G HA2 -0.280 3.680 3.960 0.001 0.000 0.217 462 G HA3 -0.280 3.680 3.960 0.001 0.000 0.217 462 G C 1.672 176.614 174.900 0.071 0.000 1.240 462 G CA 0.882 45.999 45.100 0.030 0.000 0.794 462 G HN 0.306 nan 8.290 nan 0.000 0.580 463 K N -0.441 120.033 120.400 0.123 0.000 2.152 463 K HA -0.044 4.276 4.320 0.001 0.000 0.206 463 K C 2.405 179.173 176.600 0.280 0.000 1.048 463 K CA 0.946 57.342 56.287 0.182 0.000 0.933 463 K CB -0.239 32.400 32.500 0.230 0.000 0.721 463 K HN 0.252 nan 8.250 nan 0.000 0.447 464 L N 1.470 122.865 121.223 0.287 0.000 2.072 464 L HA -0.151 4.190 4.340 0.001 0.000 0.205 464 L C 2.500 179.440 176.870 0.118 0.000 1.079 464 L CA 2.099 57.078 54.840 0.232 0.000 0.752 464 L CB -0.605 41.468 42.059 0.024 0.000 0.906 464 L HN 0.041 nan 8.230 nan 0.000 0.436 465 K N -0.836 119.607 120.400 0.072 0.000 2.063 465 K HA -0.205 4.116 4.320 0.001 0.000 0.208 465 K C 2.386 179.024 176.600 0.062 0.000 1.048 465 K CA 1.853 58.171 56.287 0.052 0.000 0.928 465 K CB -1.719 30.805 32.500 0.040 0.000 0.713 465 K HN 0.552 nan 8.250 nan 0.000 0.442 466 S N -0.317 115.425 115.700 0.069 0.000 2.370 466 S HA -0.191 4.280 4.470 0.001 0.000 0.226 466 S C 2.263 176.904 174.600 0.069 0.000 1.033 466 S CA 1.574 59.809 58.200 0.057 0.000 1.011 466 S CB -0.929 62.298 63.200 0.044 0.000 0.852 466 S HN 0.680 nan 8.310 nan 0.000 0.457 467 C N 0.776 120.134 119.300 0.098 0.000 2.425 467 C HA 0.066 4.527 4.460 0.001 0.000 0.277 467 C C 2.513 177.574 174.990 0.118 0.000 1.280 467 C CA 0.839 59.922 59.018 0.108 0.000 1.744 467 C CB -1.518 26.319 27.740 0.162 0.000 1.989 467 C HN 0.711 nan 8.230 nan 0.000 0.491 468 L N 0.996 122.278 121.223 0.098 0.000 1.994 468 L HA -0.117 4.224 4.340 0.001 0.000 0.208 468 L C 2.549 179.500 176.870 0.137 0.000 1.071 468 L CA 2.295 57.202 54.840 0.112 0.000 0.745 468 L CB -1.332 40.753 42.059 0.044 0.000 0.892 468 L HN 0.255 nan 8.230 nan 0.000 0.431 469 T N -0.334 114.269 114.554 0.082 0.000 2.653 469 T HA -0.195 4.156 4.350 0.001 0.000 0.268 469 T C 1.651 176.383 174.700 0.055 0.000 1.035 469 T CA 1.538 63.670 62.100 0.054 0.000 1.154 469 T CB -0.997 67.893 68.868 0.037 0.000 0.862 469 T HN 0.635 nan 8.240 nan 0.000 0.441 470 G N 0.320 109.167 108.800 0.079 0.000 2.408 470 G HA2 -0.143 3.818 3.960 0.001 0.000 0.217 470 G HA3 -0.143 3.818 3.960 0.001 0.000 0.217 470 G C 1.355 176.324 174.900 0.114 0.000 1.150 470 G CA 0.515 45.659 45.100 0.073 0.000 0.776 470 G HN 0.504 nan 8.290 nan 0.000 0.542 471 F N 1.476 121.444 119.950 0.030 0.000 2.102 471 F HA 0.061 4.588 4.527 0.001 0.000 0.298 471 F C 2.326 178.197 175.800 0.117 0.000 1.105 471 F CA 1.121 59.167 58.000 0.077 0.000 1.239 471 F CB -0.368 38.643 39.000 0.018 0.000 0.991 471 F HN 0.039 nan 8.300 nan 0.000 0.474 472 L N -0.156 120.927 121.223 -0.233 0.000 2.191 472 L HA -0.195 4.146 4.340 0.001 0.000 0.212 472 L C 2.493 179.258 176.870 -0.175 0.000 1.103 472 L CA 1.320 55.970 54.840 -0.317 0.000 0.769 472 L CB -0.794 41.189 42.059 -0.127 0.000 0.908 472 L HN 0.286 nan 8.230 nan 0.000 0.438 473 Q N -0.285 119.459 119.800 -0.093 0.000 2.137 473 Q HA -0.201 4.140 4.340 0.001 0.000 0.198 473 Q C 2.151 178.096 176.000 -0.090 0.000 0.960 473 Q CA 1.117 56.878 55.803 -0.069 0.000 0.847 473 Q CB 0.121 28.837 28.738 -0.037 0.000 0.915 473 Q HN 0.406 nan 8.270 nan 0.000 0.448 474 E N -0.423 119.712 120.200 -0.109 0.000 2.077 474 E HA -0.192 4.159 4.350 0.001 0.000 0.193 474 E C 0.505 176.930 176.600 -0.291 0.000 0.989 474 E CA 0.991 57.273 56.400 -0.197 0.000 0.800 474 E CB 0.119 29.684 29.700 -0.225 0.000 0.746 474 E HN 0.419 nan 8.360 nan 0.000 0.452 475 Y N -0.528 119.642 120.300 -0.217 0.000 2.532 475 Y HA 0.263 4.814 4.550 0.001 0.000 0.283 475 Y C 0.993 176.788 175.900 -0.174 0.000 1.181 475 Y CA 0.154 58.130 58.100 -0.208 0.000 1.256 475 Y CB 0.992 39.255 38.460 -0.329 0.000 1.112 475 Y HN 0.137 nan 8.280 nan 0.000 0.521 476 G N 1.557 110.331 108.800 -0.044 0.000 2.395 476 G HA2 -0.305 3.656 3.960 0.001 0.000 0.300 476 G HA3 -0.305 3.656 3.960 0.001 0.000 0.300 476 G C -0.330 174.540 174.900 -0.050 0.000 0.998 476 G CA 0.057 45.130 45.100 -0.044 0.000 1.046 476 G HN 0.366 nan 8.290 nan 0.000 0.513 477 L N 1.171 122.341 121.223 -0.088 0.000 2.262 477 L HA 0.453 4.794 4.340 0.001 0.000 0.288 477 L C 0.642 177.463 176.870 -0.081 0.000 1.035 477 L CA -0.455 54.323 54.840 -0.103 0.000 0.820 477 L CB 1.707 43.656 42.059 -0.184 0.000 1.204 477 L HN 0.281 nan 8.230 nan 0.000 0.424 478 S N 2.759 118.428 115.700 -0.052 0.000 3.158 478 S HA 0.475 4.946 4.470 0.001 0.000 0.215 478 S C -0.143 174.439 174.600 -0.029 0.000 1.359 478 S CA -0.789 57.390 58.200 -0.036 0.000 0.974 478 S CB 0.081 63.267 63.200 -0.025 0.000 1.336 478 S HN 0.338 nan 8.310 nan 0.000 0.488 479 V N 0.087 119.981 119.914 -0.034 0.000 2.919 479 V HA 0.888 5.009 4.120 0.001 0.000 0.316 479 V C -0.418 175.668 176.094 -0.013 0.000 1.077 479 V CA -1.469 60.817 62.300 -0.023 0.000 0.977 479 V CB 1.467 33.272 31.823 -0.031 0.000 1.039 479 V HN 0.704 nan 8.190 nan 0.000 0.441 480 M N 3.127 122.726 119.600 -0.002 0.000 2.268 480 M HA 0.831 5.311 4.480 0.001 0.000 0.344 480 M C -1.204 175.107 176.300 0.020 0.000 1.106 480 M CA -0.310 54.996 55.300 0.010 0.000 1.010 480 M CB 1.570 34.180 32.600 0.016 0.000 1.649 480 M HN 0.365 nan 8.290 nan 0.000 0.443 481 V N 4.067 123.999 119.914 0.029 0.000 2.384 481 V HA 0.397 4.518 4.120 0.001 0.000 0.287 481 V C 0.210 176.369 176.094 0.109 0.000 1.020 481 V CA -0.864 61.468 62.300 0.053 0.000 0.850 481 V CB 1.252 33.085 31.823 0.016 0.000 0.987 481 V HN 0.882 nan 8.190 nan 0.000 0.436 482 K N 2.948 123.456 120.400 0.180 0.000 2.511 482 K HA -0.033 4.288 4.320 0.001 0.000 0.280 482 K C 0.537 177.223 176.600 0.143 0.000 1.008 482 K CA -0.034 56.344 56.287 0.152 0.000 1.050 482 K CB 0.498 33.085 32.500 0.145 0.000 0.889 482 K HN 0.594 nan 8.250 nan 0.000 0.484 483 D N 2.343 122.792 120.400 0.082 0.000 2.218 483 D HA -0.137 4.504 4.640 0.001 0.000 0.204 483 D C 0.881 177.258 176.300 0.128 0.000 0.976 483 D CA 1.127 55.194 54.000 0.113 0.000 0.853 483 D CB 0.079 40.945 40.800 0.111 0.000 0.939 483 D HN 0.473 nan 8.370 nan 0.000 0.481 484 D N -0.508 119.877 120.400 -0.025 0.000 2.228 484 D HA -0.183 4.458 4.640 0.001 0.000 0.203 484 D C 1.762 177.976 176.300 -0.144 0.000 0.988 484 D CA 0.785 54.693 54.000 -0.152 0.000 0.864 484 D CB -0.313 40.306 40.800 -0.301 0.000 0.928 484 D HN 0.433 nan 8.370 nan 0.000 0.469 485 Y N 0.185 120.524 120.300 0.065 0.000 2.184 485 Y HA -0.135 4.416 4.550 0.001 0.000 0.290 485 Y C 2.565 178.525 175.900 0.099 0.000 1.129 485 Y CA 0.360 58.511 58.100 0.085 0.000 1.144 485 Y CB -0.357 38.105 38.460 0.003 0.000 0.995 485 Y HN -0.176 nan 8.280 nan 0.000 0.513 486 V N -0.055 119.966 119.914 0.179 0.000 2.282 486 V HA -0.372 3.748 4.120 0.001 0.000 0.249 486 V C 2.177 178.312 176.094 0.069 0.000 1.057 486 V CA 2.183 64.537 62.300 0.090 0.000 1.032 486 V CB -0.735 31.112 31.823 0.041 0.000 0.645 486 V HN 0.542 nan 8.190 nan 0.000 0.447 487 H N -0.478 118.595 119.070 0.005 0.000 2.352 487 H HA -0.199 4.358 4.556 0.001 0.000 0.299 487 H C 2.483 177.757 175.328 -0.090 0.000 1.097 487 H CA 2.151 58.175 56.048 -0.040 0.000 1.311 487 H CB 0.165 29.888 29.762 -0.065 0.000 1.377 487 H HN 0.492 nan 8.280 nan 0.000 0.504 488 E N 0.454 120.666 120.200 0.021 0.000 2.107 488 E HA -0.104 4.246 4.350 0.001 0.000 0.191 488 E C 1.860 178.140 176.600 -0.534 0.000 0.982 488 E CA 0.637 56.882 56.400 -0.258 0.000 0.809 488 E CB -0.257 29.305 29.700 -0.230 0.000 0.756 488 E HN 0.196 nan 8.360 nan 0.000 0.459 489 F N -0.272 119.507 119.950 -0.286 0.000 2.325 489 F HA -0.094 4.433 4.527 0.001 0.000 0.299 489 F C 2.248 178.036 175.800 -0.020 0.000 1.090 489 F CA 0.659 58.612 58.000 -0.078 0.000 1.392 489 F CB -0.315 38.732 39.000 0.079 0.000 1.053 489 F HN 0.210 nan 8.300 nan 0.000 0.521 490 C N -0.715 118.608 119.300 0.039 0.000 2.466 490 C HA -0.104 4.357 4.460 0.001 0.000 0.278 490 C C 2.821 177.776 174.990 -0.060 0.000 1.288 490 C CA 0.648 59.651 59.018 -0.025 0.000 1.722 490 C CB -1.050 26.648 27.740 -0.071 0.000 2.017 490 C HN 0.431 nan 8.230 nan 0.000 0.488 491 R N 0.138 120.558 120.500 -0.133 0.000 2.112 491 R HA -0.214 4.127 4.340 0.001 0.000 0.242 491 R C 2.089 178.339 176.300 -0.083 0.000 1.137 491 R CA 2.188 58.203 56.100 -0.141 0.000 0.944 491 R CB -0.776 29.387 30.300 -0.227 0.000 0.857 491 R HN 0.667 nan 8.270 nan 0.000 0.435 492 Y N -0.456 119.764 120.300 -0.134 0.000 2.096 492 Y HA -0.237 4.313 4.550 0.001 0.000 0.278 492 Y C 1.710 177.457 175.900 -0.255 0.000 1.192 492 Y CA 0.385 58.340 58.100 -0.240 0.000 1.143 492 Y CB -0.458 37.780 38.460 -0.371 0.000 0.963 492 Y HN 0.579 nan 8.280 nan 0.000 0.505 493 G N 0.017 108.795 108.800 -0.036 0.000 2.323 493 G HA2 -0.136 3.824 3.960 0.001 0.000 0.292 493 G HA3 -0.136 3.824 3.960 0.001 0.000 0.292 493 G C 0.601 175.395 174.900 -0.176 0.000 1.040 493 G CA 0.215 45.278 45.100 -0.062 0.000 0.942 493 G HN 1.310 nan 8.290 nan 0.000 0.506 494 A N -3.000 119.533 122.820 -0.479 0.000 2.799 494 A HA 0.143 4.464 4.320 0.001 0.000 0.274 494 A C 1.936 179.184 177.584 -0.561 0.000 1.393 494 A CA 1.949 53.496 52.037 -0.816 0.000 0.909 494 A CB -1.717 17.068 19.000 -0.359 0.000 1.012 494 A HN 2.667 nan 8.150 nan 0.000 0.653 495 A N -0.487 122.074 122.820 -0.432 0.000 2.492 495 A HA 0.444 4.764 4.320 0.001 0.000 0.236 495 A C 0.702 178.096 177.584 -0.316 0.000 1.078 495 A CA 0.958 52.827 52.037 -0.280 0.000 0.773 495 A CB 0.164 19.047 19.000 -0.195 0.000 1.023 495 A HN 0.861 nan 8.150 nan 0.000 0.504 496 E N 1.023 121.110 120.200 -0.188 0.000 3.898 496 E HA 0.274 4.625 4.350 0.001 0.000 0.219 496 E C -2.646 173.901 176.600 -0.089 0.000 1.207 496 E CA -1.859 54.452 56.400 -0.149 0.000 1.240 496 E CB 0.389 30.032 29.700 -0.096 0.000 1.239 496 E HN 0.440 nan 8.360 nan 0.000 0.422 497 P HA -0.058 nan 4.420 nan 0.000 0.264 497 P C 0.249 177.557 177.300 0.013 0.000 1.183 497 P CA 0.380 63.458 63.100 -0.036 0.000 0.763 497 P CB 0.675 32.336 31.700 -0.064 0.000 0.807 498 H N 2.512 121.573 119.070 -0.014 0.000 2.319 498 H HA -0.174 4.382 4.556 0.001 0.000 0.299 498 H C 1.727 177.070 175.328 0.025 0.000 1.092 498 H CA 2.873 58.926 56.048 0.008 0.000 1.302 498 H CB -0.177 29.590 29.762 0.007 0.000 1.373 498 H HN 0.468 nan 8.280 nan 0.000 0.497 499 T N -1.324 113.322 114.554 0.153 0.000 2.867 499 T HA -0.089 4.262 4.350 0.001 0.000 0.268 499 T C 2.018 176.787 174.700 0.116 0.000 1.057 499 T CA 1.094 63.274 62.100 0.133 0.000 1.136 499 T CB -0.241 68.701 68.868 0.123 0.000 0.874 499 T HN 0.183 nan 8.240 nan 0.000 0.466 500 I N 2.805 123.431 120.570 0.094 0.000 2.142 500 I HA -0.042 4.129 4.170 0.001 0.000 0.240 500 I C 3.167 179.360 176.117 0.126 0.000 1.078 500 I CA 1.355 62.748 61.300 0.156 0.000 1.343 500 I CB -1.860 36.168 38.000 0.046 0.000 1.046 500 I HN 0.382 nan 8.210 nan 0.000 0.405 501 A N 0.791 123.612 122.820 0.003 0.000 1.972 501 A HA -0.091 4.229 4.320 0.001 0.000 0.219 501 A C 2.561 180.089 177.584 -0.093 0.000 1.169 501 A CA 1.894 53.901 52.037 -0.050 0.000 0.635 501 A CB -0.743 18.184 19.000 -0.121 0.000 0.810 501 A HN 0.440 nan 8.150 nan 0.000 0.446 502 A N -0.938 121.794 122.820 -0.146 0.000 1.877 502 A HA -0.099 4.222 4.320 0.001 0.000 0.216 502 A C 2.056 179.615 177.584 -0.042 0.000 1.186 502 A CA 1.591 53.567 52.037 -0.102 0.000 0.620 502 A CB -0.796 18.185 19.000 -0.032 0.000 0.822 502 A HN 0.693 nan 8.150 nan 0.000 0.443 503 F N -0.152 119.713 119.950 -0.143 0.000 2.091 503 F HA -0.205 4.323 4.527 0.001 0.000 0.299 503 F C 1.925 177.590 175.800 -0.225 0.000 1.103 503 F CA 1.917 59.773 58.000 -0.241 0.000 1.228 503 F CB -0.178 38.546 39.000 -0.460 0.000 0.984 503 F HN 0.209 nan 8.300 nan 0.000 0.477 504 L N 0.673 121.970 121.223 0.123 0.000 2.027 504 L HA -0.003 4.337 4.340 0.001 0.000 0.206 504 L C 2.685 179.506 176.870 -0.083 0.000 1.074 504 L CA 2.043 56.924 54.840 0.067 0.000 0.745 504 L CB -1.606 40.532 42.059 0.132 0.000 0.898 504 L HN 0.245 nan 8.230 nan 0.000 0.433 505 G N -1.117 107.634 108.800 -0.081 0.000 2.547 505 G HA2 -0.322 3.639 3.960 0.001 0.000 0.221 505 G HA3 -0.322 3.639 3.960 0.001 0.000 0.221 505 G C 1.506 176.313 174.900 -0.156 0.000 1.140 505 G CA 0.909 45.946 45.100 -0.105 0.000 0.760 505 G HN 0.583 nan 8.290 nan 0.000 0.583 506 G N 0.837 109.500 108.800 -0.228 0.000 2.404 506 G HA2 0.127 4.088 3.960 0.001 0.000 0.214 506 G HA3 0.127 4.088 3.960 0.001 0.000 0.214 506 G C 2.110 176.814 174.900 -0.325 0.000 1.189 506 G CA 1.474 46.409 45.100 -0.275 0.000 0.789 506 G HN 0.681 nan 8.290 nan 0.000 0.533 507 A N 1.272 123.819 122.820 -0.454 0.000 1.892 507 A HA 0.150 4.471 4.320 0.001 0.000 0.218 507 A C 2.808 180.193 177.584 -0.332 0.000 1.188 507 A CA 2.667 54.416 52.037 -0.481 0.000 0.631 507 A CB -0.897 17.752 19.000 -0.584 0.000 0.822 507 A HN 0.831 nan 8.150 nan 0.000 0.447 508 A N -0.455 122.226 122.820 -0.232 0.000 1.898 508 A HA 0.240 4.560 4.320 0.001 0.000 0.216 508 A C 2.514 180.032 177.584 -0.112 0.000 1.181 508 A CA 1.929 53.885 52.037 -0.134 0.000 0.620 508 A CB -1.037 17.917 19.000 -0.077 0.000 0.819 508 A HN 1.115 nan 8.150 nan 0.000 0.442 509 A N -0.877 121.866 122.820 -0.128 0.000 1.940 509 A HA -0.218 4.103 4.320 0.001 0.000 0.219 509 A C 2.136 179.655 177.584 -0.108 0.000 1.176 509 A CA 2.182 54.153 52.037 -0.111 0.000 0.631 509 A CB -0.431 18.502 19.000 -0.111 0.000 0.814 509 A HN 0.530 nan 8.150 nan 0.000 0.446 510 Q N -0.411 119.313 119.800 -0.126 0.000 2.245 510 Q HA -0.067 4.274 4.340 0.001 0.000 0.201 510 Q C 1.654 177.595 176.000 -0.098 0.000 0.955 510 Q CA 1.380 57.112 55.803 -0.118 0.000 0.870 510 Q CB -0.147 28.496 28.738 -0.159 0.000 0.945 510 Q HN 0.589 nan 8.270 nan 0.000 0.461 511 E N -0.533 119.620 120.200 -0.078 0.000 2.106 511 E HA -0.086 4.264 4.350 0.001 0.000 0.192 511 E C 1.975 178.540 176.600 -0.058 0.000 0.984 511 E CA 1.091 57.478 56.400 -0.021 0.000 0.806 511 E CB -0.217 29.543 29.700 0.099 0.000 0.750 511 E HN 0.258 nan 8.360 nan 0.000 0.458 512 V N 1.446 121.317 119.914 -0.071 0.000 2.358 512 V HA -0.194 3.927 4.120 0.001 0.000 0.246 512 V C 2.416 178.447 176.094 -0.105 0.000 1.047 512 V CA 1.197 63.445 62.300 -0.086 0.000 1.035 512 V CB -0.412 31.362 31.823 -0.081 0.000 0.658 512 V HN 0.181 nan 8.190 nan 0.000 0.452 513 I N -0.333 120.162 120.570 -0.125 0.000 2.264 513 I HA -0.284 3.887 4.170 0.001 0.000 0.248 513 I C 2.551 178.599 176.117 -0.114 0.000 1.111 513 I CA 1.611 62.796 61.300 -0.191 0.000 1.382 513 I CB -0.343 37.495 38.000 -0.270 0.000 1.060 513 I HN 0.286 nan 8.210 nan 0.000 0.418 514 K N 0.849 121.233 120.400 -0.027 0.000 2.020 514 K HA -0.193 4.128 4.320 0.001 0.000 0.212 514 K C 2.020 178.653 176.600 0.054 0.000 1.050 514 K CA 1.662 57.998 56.287 0.082 0.000 0.929 514 K CB -0.255 32.294 32.500 0.082 0.000 0.714 514 K HN 0.233 nan 8.250 nan 0.000 0.443 515 I N 0.908 121.432 120.570 -0.076 0.000 2.163 515 I HA -0.326 3.845 4.170 0.001 0.000 0.243 515 I C 2.252 178.383 176.117 0.023 0.000 1.085 515 I CA 1.389 62.614 61.300 -0.125 0.000 1.347 515 I CB -0.316 37.567 38.000 -0.196 0.000 1.044 515 I HN 0.155 nan 8.210 nan 0.000 0.408 516 I N 0.483 121.031 120.570 -0.037 0.000 2.127 516 I HA -0.304 3.867 4.170 0.001 0.000 0.241 516 I C 2.572 178.665 176.117 -0.040 0.000 1.075 516 I CA 2.210 63.480 61.300 -0.050 0.000 1.334 516 I CB -0.655 37.279 38.000 -0.110 0.000 1.040 516 I HN 0.401 nan 8.210 nan 0.000 0.405 517 T N -2.792 111.724 114.554 -0.062 0.000 3.113 517 T HA 0.066 4.417 4.350 0.001 0.000 0.256 517 T C 1.110 175.829 174.700 0.033 0.000 1.131 517 T CA 0.169 62.237 62.100 -0.054 0.000 1.074 517 T CB -0.043 68.754 68.868 -0.119 0.000 0.944 517 T HN 0.220 nan 8.240 nan 0.000 0.516 518 K N -0.071 120.379 120.400 0.083 0.000 3.363 518 K HA -0.209 4.112 4.320 0.001 0.000 0.313 518 K C 0.246 176.879 176.600 0.055 0.000 1.259 518 K CA 0.965 57.293 56.287 0.068 0.000 0.942 518 K CB -1.494 30.988 32.500 -0.030 0.000 1.229 518 K HN 0.600 nan 8.250 nan 0.000 0.440 519 Q N -0.414 119.446 119.800 0.100 0.000 2.221 519 Q HA 0.595 4.936 4.340 0.001 0.000 0.242 519 Q C 0.013 176.120 176.000 0.179 0.000 0.940 519 Q CA -0.429 55.398 55.803 0.040 0.000 0.896 519 Q CB 0.510 29.226 28.738 -0.038 0.000 1.226 519 Q HN 0.087 nan 8.270 nan 0.000 0.463 520 F N -1.722 118.350 119.950 0.204 0.000 2.183 520 F HA -0.303 4.225 4.527 0.001 0.000 0.318 520 F C -0.670 175.191 175.800 0.102 0.000 0.130 520 F CA -0.119 57.962 58.000 0.134 0.000 0.912 520 F CB -0.938 38.106 39.000 0.073 0.000 4.134 520 F HN 0.242 nan 8.300 nan 0.000 0.138 521 V N 2.379 122.470 119.914 0.295 0.000 2.378 521 V HA 0.473 4.594 4.120 0.001 0.000 0.288 521 V C 0.244 176.423 176.094 0.142 0.000 1.016 521 V CA -0.628 61.779 62.300 0.178 0.000 0.840 521 V CB 1.210 33.109 31.823 0.126 0.000 0.994 521 V HN 0.689 nan 8.190 nan 0.000 0.431 522 I N 2.561 123.192 120.570 0.102 0.000 2.892 522 I HA 0.379 4.550 4.170 0.001 0.000 0.287 522 I C 0.444 176.573 176.117 0.020 0.000 1.205 522 I CA -0.205 61.099 61.300 0.007 0.000 1.409 522 I CB 0.166 38.060 38.000 -0.178 0.000 1.367 522 I HN 0.623 nan 8.210 nan 0.000 0.597 523 F N 2.959 122.884 119.950 -0.042 0.000 2.490 523 F HA 0.317 4.845 4.527 0.001 0.000 0.336 523 F C 0.337 176.137 175.800 -0.001 0.000 1.178 523 F CA -0.647 57.339 58.000 -0.023 0.000 1.301 523 F CB 0.104 39.075 39.000 -0.047 0.000 1.175 523 F HN 0.524 nan 8.300 nan 0.000 0.593 524 N N 2.972 121.702 118.700 0.050 0.000 2.816 524 N HA 0.191 4.932 4.740 0.001 0.000 0.236 524 N C -0.238 175.292 175.510 0.034 0.000 1.076 524 N CA 0.089 53.100 53.050 -0.065 0.000 0.902 524 N CB -0.013 38.478 38.487 0.006 0.000 1.149 524 N HN 0.911 nan 8.380 nan 0.000 0.506 525 N N 1.086 119.711 118.700 -0.125 0.000 1.985 525 N HA -0.173 4.567 4.740 0.001 0.000 0.213 525 N C -1.241 174.456 175.510 0.313 0.000 1.556 525 N CA 0.699 53.773 53.050 0.039 0.000 4.050 525 N CB -0.887 37.647 38.487 0.078 0.000 1.018 525 N HN 0.357 nan 8.380 nan 0.000 0.670 526 T N 0.895 115.704 114.554 0.426 0.000 3.031 526 T HA 0.433 4.784 4.350 0.001 0.000 0.305 526 T C -1.515 173.344 174.700 0.264 0.000 0.985 526 T CA -0.320 61.943 62.100 0.271 0.000 1.008 526 T CB 1.367 70.296 68.868 0.102 0.000 1.005 526 T HN 0.297 nan 8.240 nan 0.000 0.444 527 Y N 4.624 124.844 120.300 -0.133 0.000 2.361 527 Y HA 0.694 5.245 4.550 0.001 0.000 0.332 527 Y C -0.772 175.117 175.900 -0.018 0.000 1.101 527 Y CA -1.497 56.482 58.100 -0.202 0.000 1.137 527 Y CB 0.737 38.850 38.460 -0.578 0.000 1.207 527 Y HN 0.439 nan 8.280 nan 0.000 0.463 528 I N 7.223 127.594 120.570 -0.332 0.000 2.478 528 I HA 0.151 4.322 4.170 0.001 0.000 0.287 528 I C -1.416 174.510 176.117 -0.319 0.000 1.042 528 I CA -0.925 60.299 61.300 -0.125 0.000 1.067 528 I CB 1.168 39.212 38.000 0.073 0.000 1.233 528 I HN 0.600 nan 8.210 nan 0.000 0.431 529 Y N 5.503 125.636 120.300 -0.278 0.000 2.377 529 Y HA 0.563 5.114 4.550 0.001 0.000 0.339 529 Y C -0.219 175.565 175.900 -0.193 0.000 1.011 529 Y CA -0.873 57.049 58.100 -0.297 0.000 1.093 529 Y CB 1.856 40.178 38.460 -0.230 0.000 1.201 529 Y HN 0.547 nan 8.280 nan 0.000 0.455 530 S N 4.407 119.612 115.700 -0.825 0.000 2.601 530 S HA 0.373 4.844 4.470 0.001 0.000 0.312 530 S C 0.940 174.971 174.600 -0.948 0.000 1.107 530 S CA -0.043 57.750 58.200 -0.679 0.000 1.129 530 S CB 0.126 63.167 63.200 -0.265 0.000 0.982 530 S HN 1.129 nan 8.310 nan 0.000 0.469 531 G N 4.305 112.485 108.800 -1.033 0.000 2.470 531 G HA2 -0.164 3.796 3.960 0.001 0.000 0.220 531 G HA3 -0.164 3.796 3.960 0.001 0.000 0.220 531 G C 1.186 175.921 174.900 -0.275 0.000 1.121 531 G CA 0.744 45.464 45.100 -0.633 0.000 0.766 531 G HN 0.697 nan 8.290 nan 0.000 0.553 532 M N 1.322 120.799 119.600 -0.205 0.000 2.059 532 M HA -0.079 4.402 4.480 0.001 0.000 0.259 532 M C 2.774 179.030 176.300 -0.074 0.000 1.072 532 M CA 2.035 57.285 55.300 -0.083 0.000 1.117 532 M CB -0.160 32.432 32.600 -0.013 0.000 1.320 532 M HN 0.310 nan 8.290 nan 0.000 0.408 533 S N -1.780 113.866 115.700 -0.089 0.000 2.517 533 S HA 0.092 4.563 4.470 0.001 0.000 0.214 533 S C 0.600 175.166 174.600 -0.056 0.000 0.991 533 S CA -0.264 57.905 58.200 -0.053 0.000 0.906 533 S CB 0.224 63.408 63.200 -0.026 0.000 0.789 533 S HN 0.432 nan 8.310 nan 0.000 0.513 534 Q N 1.579 121.311 119.800 -0.113 0.000 2.468 534 Q HA -0.130 4.211 4.340 0.001 0.000 0.289 534 Q C -0.352 175.652 176.000 0.007 0.000 1.299 534 Q CA 1.343 57.122 55.803 -0.039 0.000 0.838 534 Q CB -2.680 26.075 28.738 0.030 0.000 1.195 534 Q HN 0.909 nan 8.270 nan 0.000 0.456 535 T N -2.745 111.777 114.554 -0.053 0.000 2.908 535 T HA 0.817 5.168 4.350 0.001 0.000 0.290 535 T C 0.148 174.833 174.700 -0.024 0.000 1.034 535 T CA -0.076 62.020 62.100 -0.007 0.000 1.010 535 T CB 2.649 71.508 68.868 -0.015 0.000 1.068 535 T HN 0.302 nan 8.240 nan 0.000 0.481 536 S N 0.028 115.726 115.700 -0.004 0.000 2.661 536 S HA 0.941 5.411 4.470 0.001 0.000 0.285 536 S C -1.113 173.401 174.600 -0.143 0.000 1.138 536 S CA -0.715 57.411 58.200 -0.123 0.000 0.855 536 S CB 1.567 64.713 63.200 -0.090 0.000 1.136 536 S HN 1.855 nan 8.310 nan 0.000 0.484 537 A N 0.826 123.482 122.820 -0.274 0.000 2.566 537 A HA 0.733 5.054 4.320 0.001 0.000 0.297 537 A C -0.649 176.810 177.584 -0.207 0.000 1.059 537 A CA -0.769 51.146 52.037 -0.204 0.000 0.691 537 A CB 1.245 20.166 19.000 -0.132 0.000 1.282 537 A HN 0.882 nan 8.150 nan 0.000 0.401 538 T N 1.607 116.031 114.554 -0.216 0.000 2.829 538 T HA 0.706 5.057 4.350 0.001 0.000 0.282 538 T C -0.895 173.589 174.700 -0.360 0.000 0.990 538 T CA 0.166 62.228 62.100 -0.063 0.000 1.028 538 T CB 0.246 69.173 68.868 0.099 0.000 0.951 538 T HN 0.344 nan 8.240 nan 0.000 0.460 539 F N 1.014 120.989 119.950 0.042 0.000 2.577 539 F HA 0.408 4.936 4.527 0.001 0.000 0.318 539 F C 0.517 176.325 175.800 0.014 0.000 1.065 539 F CA -1.085 56.912 58.000 -0.006 0.000 0.929 539 F CB 2.009 40.956 39.000 -0.087 0.000 1.237 539 F HN 0.367 nan 8.300 nan 0.000 0.468 540 Q N 3.515 123.416 119.800 0.168 0.000 2.563 540 Q HA 0.454 4.795 4.340 0.001 0.000 0.232 540 Q C -0.775 175.266 176.000 0.068 0.000 1.106 540 Q CA -0.234 55.628 55.803 0.099 0.000 0.913 540 Q CB 1.096 29.874 28.738 0.067 0.000 1.175 540 Q HN 0.532 nan 8.270 nan 0.000 0.540 541 L N 0.000 121.244 121.223 0.036 0.000 2.949 541 L HA 0.000 4.341 4.340 0.001 0.000 0.249 541 L CA 0.000 54.821 54.840 -0.032 0.000 0.813 541 L CB 0.000 41.961 42.059 -0.164 0.000 0.961 541 L HN 0.000 nan 8.230 nan 0.000 0.502