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 1zkj_1_A DATA FIRST_RESID 7 DATA SEQUENCE DPLRPVVDAS IQPLLKEHRI PGMAVAVLKD GKAHYFNYGV ANRESGAGVS DATA SEQUENCE EQTLFEIGSV SKTLTATLGA YAVVKGAMQL DDKASRHAPW LKGSAFDSIT DATA SEQUENCE MGELATYSAG GLPLQFPEEV DSSEKMRAYY RQWAPVYSPG SHRQYSNPSI DATA SEQUENCE GLFGHLAASS LKQPFAPLME QTLLPGLGMH HTYVNVPKQA MASYAYGYSK DATA SEQUENCE EDKPIRVNPG MLADEAYGIK TSSADLLRFV KANIGGVDDK ALQQAISLTH DATA SEQUENCE QGHYSVGGMT QGLGWESYAY PVTEQTLLAG NSAKVILEAN PTAAPREXXX DATA SEQUENCE QVLFNKTGST NGFGAYVAFV PARGIGIVML ANRNYPIEAR IKAAHAILAQ DATA SEQUENCE LAG 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.382 176.300 0.137 0.000 2.045 7 D CA 0.000 54.099 54.000 0.164 0.000 0.868 7 D CB 0.000 40.966 40.800 0.277 0.000 0.688 8 P HA -0.010 nan 4.420 nan 0.000 0.218 8 P C 1.499 178.807 177.300 0.013 0.000 1.146 8 P CA 0.818 63.942 63.100 0.040 0.000 0.813 8 P CB 0.367 32.082 31.700 0.025 0.000 0.778 9 L N -1.740 119.497 121.223 0.023 0.000 2.509 9 L HA 0.100 4.439 4.340 -0.000 0.000 0.222 9 L C 2.592 179.367 176.870 -0.160 0.000 1.123 9 L CA 0.199 55.005 54.840 -0.056 0.000 0.856 9 L CB -0.356 41.649 42.059 -0.090 0.000 0.985 9 L HN -0.091 nan 8.230 nan 0.000 0.456 10 R N 1.161 121.668 120.500 0.012 0.000 2.080 10 R HA -0.175 4.165 4.340 -0.000 0.000 0.236 10 R C -0.425 175.792 176.300 -0.139 0.000 1.137 10 R CA 1.800 57.851 56.100 -0.082 0.000 0.943 10 R CB -1.035 29.382 30.300 0.195 0.000 0.846 10 R HN 0.193 nan 8.270 nan 0.000 0.431 11 P HA -0.156 nan 4.420 nan 0.000 0.216 11 P C 1.426 178.678 177.300 -0.081 0.000 1.153 11 P CA 1.212 64.285 63.100 -0.045 0.000 0.858 11 P CB 0.009 31.695 31.700 -0.023 0.000 0.789 12 V N -0.630 119.216 119.914 -0.114 0.000 2.295 12 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 12 V C 2.449 178.450 176.094 -0.155 0.000 1.049 12 V CA 1.795 64.025 62.300 -0.117 0.000 1.024 12 V CB -1.171 30.583 31.823 -0.114 0.000 0.648 12 V HN -0.040 nan 8.190 nan 0.000 0.447 13 V N 0.048 119.793 119.914 -0.283 0.000 2.307 13 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 13 V C 2.295 178.295 176.094 -0.156 0.000 1.045 13 V CA 2.132 64.250 62.300 -0.303 0.000 1.024 13 V CB -0.747 30.641 31.823 -0.724 0.000 0.651 13 V HN 0.524 nan 8.190 nan 0.000 0.449 14 D N 0.632 120.969 120.400 -0.106 0.000 2.133 14 D HA -0.170 4.469 4.640 -0.000 0.000 0.195 14 D C 2.222 178.501 176.300 -0.034 0.000 0.997 14 D CA 1.735 55.748 54.000 0.023 0.000 0.840 14 D CB -0.421 40.419 40.800 0.068 0.000 0.947 14 D HN 0.430 nan 8.370 nan 0.000 0.452 15 A N 0.048 122.839 122.820 -0.048 0.000 1.978 15 A HA -0.162 4.157 4.320 -0.000 0.000 0.220 15 A C 2.389 179.943 177.584 -0.049 0.000 1.170 15 A CA 1.958 53.970 52.037 -0.042 0.000 0.636 15 A CB -0.293 18.684 19.000 -0.039 0.000 0.810 15 A HN 0.185 nan 8.150 nan 0.000 0.448 16 S N -1.070 114.593 115.700 -0.062 0.000 2.483 16 S HA 0.155 4.625 4.470 -0.000 0.000 0.221 16 S C 1.628 176.177 174.600 -0.085 0.000 1.030 16 S CA 0.343 58.511 58.200 -0.053 0.000 0.925 16 S CB -0.042 63.139 63.200 -0.032 0.000 0.795 16 S HN 0.443 nan 8.310 nan 0.000 0.511 17 I N 1.957 122.441 120.570 -0.143 0.000 2.400 17 I HA -0.002 4.168 4.170 -0.000 0.000 0.248 17 I C 2.414 178.345 176.117 -0.310 0.000 1.109 17 I CA 0.954 62.093 61.300 -0.268 0.000 1.425 17 I CB -1.296 36.425 38.000 -0.465 0.000 1.094 17 I HN 0.252 nan 8.210 nan 0.000 0.425 18 Q N 0.747 120.403 119.800 -0.240 0.000 2.077 18 Q HA -0.184 4.156 4.340 -0.000 0.000 0.206 18 Q C -0.109 175.820 176.000 -0.119 0.000 0.989 18 Q CA 1.907 57.617 55.803 -0.156 0.000 0.853 18 Q CB -1.896 26.814 28.738 -0.047 0.000 0.907 18 Q HN 0.393 nan 8.270 nan 0.000 0.418 19 P HA -0.126 nan 4.420 nan 0.000 0.218 19 P C 1.534 178.777 177.300 -0.094 0.000 1.149 19 P CA 0.732 63.784 63.100 -0.079 0.000 0.817 19 P CB -0.083 31.582 31.700 -0.058 0.000 0.785 20 L N -0.840 120.320 121.223 -0.105 0.000 2.027 20 L HA -0.115 4.225 4.340 -0.000 0.000 0.206 20 L C 2.142 178.926 176.870 -0.143 0.000 1.074 20 L CA 1.753 56.537 54.840 -0.094 0.000 0.745 20 L CB -1.339 40.636 42.059 -0.140 0.000 0.898 20 L HN -0.127 nan 8.230 nan 0.000 0.433 21 L N -0.845 120.265 121.223 -0.188 0.000 2.046 21 L HA -0.243 4.096 4.340 -0.000 0.000 0.208 21 L C 2.556 179.364 176.870 -0.104 0.000 1.077 21 L CA 1.513 56.257 54.840 -0.162 0.000 0.747 21 L CB -0.693 41.273 42.059 -0.154 0.000 0.896 21 L HN 0.248 nan 8.230 nan 0.000 0.432 22 K N -0.030 120.311 120.400 -0.099 0.000 2.031 22 K HA -0.200 4.120 4.320 -0.000 0.000 0.205 22 K C 2.066 178.594 176.600 -0.120 0.000 1.049 22 K CA 1.308 57.543 56.287 -0.086 0.000 0.939 22 K CB -0.154 32.303 32.500 -0.072 0.000 0.717 22 K HN 0.276 nan 8.250 nan 0.000 0.438 23 E N 0.528 120.621 120.200 -0.177 0.000 2.118 23 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 23 E C 1.054 177.380 176.600 -0.456 0.000 0.992 23 E CA 1.146 57.352 56.400 -0.324 0.000 0.804 23 E CB 0.166 29.617 29.700 -0.415 0.000 0.741 23 E HN 0.399 nan 8.360 nan 0.000 0.458 24 H N -0.376 118.648 119.070 -0.077 0.000 2.542 24 H HA 0.265 4.821 4.556 -0.000 0.000 0.283 24 H C -0.080 175.216 175.328 -0.053 0.000 1.059 24 H CA 0.057 56.074 56.048 -0.053 0.000 1.162 24 H CB 0.366 30.089 29.762 -0.065 0.000 1.539 24 H HN 0.120 nan 8.280 nan 0.000 0.543 25 R N 0.794 121.290 120.500 -0.006 0.000 3.322 25 R HA -0.155 4.185 4.340 -0.000 0.000 0.253 25 R C -0.419 175.874 176.300 -0.011 0.000 0.987 25 R CA 0.240 56.330 56.100 -0.017 0.000 0.666 25 R CB -2.225 28.068 30.300 -0.012 0.000 1.072 25 R HN 0.317 nan 8.270 nan 0.000 0.447 26 I N 0.998 121.552 120.570 -0.026 0.000 2.505 26 I HA 0.014 4.184 4.170 -0.000 0.000 0.287 26 I C -0.901 175.213 176.117 -0.005 0.000 1.104 26 I CA -1.893 59.395 61.300 -0.021 0.000 1.387 26 I CB 0.729 38.666 38.000 -0.105 0.000 1.404 26 I HN -0.049 nan 8.210 nan 0.000 0.528 27 P HA -0.080 nan 4.420 nan 0.000 0.215 27 P C 0.457 177.799 177.300 0.069 0.000 1.157 27 P CA 0.690 63.766 63.100 -0.041 0.000 0.868 27 P CB 0.248 31.849 31.700 -0.166 0.000 0.788 28 G N -1.871 107.030 108.800 0.167 0.000 2.720 28 G HA2 0.642 4.602 3.960 -0.000 0.000 0.295 28 G HA3 0.642 4.602 3.960 -0.000 0.000 0.295 28 G C -2.002 173.098 174.900 0.334 0.000 1.437 28 G CA -0.377 44.882 45.100 0.266 0.000 0.886 28 G HN 0.031 nan 8.290 nan 0.000 0.509 29 M N 1.197 121.000 119.600 0.338 0.000 2.322 29 M HA 0.671 5.151 4.480 -0.000 0.000 0.285 29 M C -1.358 175.126 176.300 0.307 0.000 1.119 29 M CA -0.762 54.677 55.300 0.232 0.000 0.953 29 M CB 2.132 34.801 32.600 0.115 0.000 1.701 29 M HN 0.907 nan 8.290 nan 0.000 0.479 30 A N 4.426 127.302 122.820 0.093 0.000 2.271 30 A HA 0.733 5.052 4.320 -0.000 0.000 0.317 30 A C -1.286 176.410 177.584 0.186 0.000 1.245 30 A CA -0.544 51.605 52.037 0.187 0.000 0.857 30 A CB 0.870 19.978 19.000 0.180 0.000 1.175 30 A HN 0.594 nan 8.150 nan 0.000 0.512 31 V N 1.664 121.782 119.914 0.339 0.000 2.555 31 V HA 0.787 4.907 4.120 -0.000 0.000 0.302 31 V C 0.308 176.647 176.094 0.409 0.000 1.038 31 V CA -0.223 62.295 62.300 0.364 0.000 0.887 31 V CB 1.544 33.641 31.823 0.458 0.000 0.991 31 V HN 1.212 nan 8.190 nan 0.000 0.434 32 A N 4.231 127.254 122.820 0.339 0.000 2.393 32 A HA 0.912 5.232 4.320 -0.000 0.000 0.306 32 A C -1.175 176.546 177.584 0.228 0.000 1.050 32 A CA -0.538 51.680 52.037 0.301 0.000 0.724 32 A CB 1.909 21.111 19.000 0.337 0.000 1.248 32 A HN 0.638 nan 8.150 nan 0.000 0.424 33 V N 2.250 122.281 119.914 0.196 0.000 2.823 33 V HA 0.599 4.718 4.120 -0.000 0.000 0.312 33 V C -1.006 175.166 176.094 0.131 0.000 1.072 33 V CA -0.602 61.809 62.300 0.185 0.000 0.937 33 V CB 1.838 33.812 31.823 0.252 0.000 1.013 33 V HN 0.875 nan 8.190 nan 0.000 0.430 34 L N 4.412 125.693 121.223 0.097 0.000 2.333 34 L HA 0.755 5.095 4.340 -0.000 0.000 0.280 34 L C -0.630 176.288 176.870 0.080 0.000 1.004 34 L CA 0.038 54.916 54.840 0.064 0.000 0.820 34 L CB 1.245 43.307 42.059 0.005 0.000 1.247 34 L HN 0.736 nan 8.230 nan 0.000 0.416 35 K N 3.749 124.213 120.400 0.107 0.000 2.561 35 K HA 0.284 4.604 4.320 -0.000 0.000 0.254 35 K C -1.116 175.532 176.600 0.079 0.000 0.942 35 K CA -0.442 55.893 56.287 0.081 0.000 0.818 35 K CB 1.274 33.819 32.500 0.074 0.000 1.306 35 K HN 0.709 nan 8.250 nan 0.000 0.435 36 D N 3.020 123.444 120.400 0.040 0.000 2.751 36 D HA -0.209 4.431 4.640 -0.000 0.000 0.233 36 D C 0.681 176.992 176.300 0.017 0.000 1.149 36 D CA 1.967 55.984 54.000 0.030 0.000 0.682 36 D CB -1.049 39.776 40.800 0.042 0.000 1.068 36 D HN 1.108 nan 8.370 nan 0.000 0.429 37 G N -0.168 108.634 108.800 0.003 0.000 2.212 37 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.266 37 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.266 37 G C 0.347 175.224 174.900 -0.039 0.000 0.978 37 G CA 0.987 46.076 45.100 -0.017 0.000 0.632 37 G HN 0.631 nan 8.290 nan 0.000 0.537 38 K N 0.650 121.025 120.400 -0.041 0.000 2.156 38 K HA 0.757 5.077 4.320 -0.000 0.000 0.254 38 K C 0.230 176.689 176.600 -0.236 0.000 0.950 38 K CA -0.124 56.074 56.287 -0.148 0.000 0.849 38 K CB 1.288 33.676 32.500 -0.186 0.000 1.100 38 K HN 0.529 nan 8.250 nan 0.000 0.434 39 A N 3.781 126.379 122.820 -0.371 0.000 2.301 39 A HA 0.390 4.710 4.320 -0.000 0.000 0.312 39 A C -1.108 175.965 177.584 -0.851 0.000 1.182 39 A CA -0.510 51.242 52.037 -0.475 0.000 0.826 39 A CB 0.400 19.141 19.000 -0.432 0.000 1.134 39 A HN 0.808 nan 8.150 nan 0.000 0.501 40 H N 1.193 119.929 119.070 -0.556 0.000 2.589 40 H HA 0.406 4.962 4.556 -0.000 0.000 0.351 40 H C -1.660 173.192 175.328 -0.793 0.000 1.074 40 H CA -0.038 55.661 56.048 -0.582 0.000 1.203 40 H CB 1.469 31.129 29.762 -0.171 0.000 1.558 40 H HN 0.650 nan 8.280 nan 0.000 0.522 41 Y N 2.013 122.032 120.300 -0.469 0.000 2.377 41 Y HA 0.360 4.910 4.550 -0.000 0.000 0.339 41 Y C -0.559 174.854 175.900 -0.811 0.000 1.011 41 Y CA -0.936 56.914 58.100 -0.417 0.000 1.093 41 Y CB 1.096 39.438 38.460 -0.197 0.000 1.201 41 Y HN 0.384 nan 8.280 nan 0.000 0.455 42 F N 1.912 121.990 119.950 0.214 0.000 2.553 42 F HA 0.447 4.974 4.527 -0.000 0.000 0.335 42 F C -0.615 175.158 175.800 -0.045 0.000 1.148 42 F CA -1.130 56.891 58.000 0.035 0.000 0.963 42 F CB 1.319 40.401 39.000 0.137 0.000 1.217 42 F HN 0.409 nan 8.300 nan 0.000 0.441 43 N N 2.561 121.180 118.700 -0.136 0.000 2.362 43 N HA 0.619 5.359 4.740 -0.000 0.000 0.298 43 N C -1.739 173.579 175.510 -0.319 0.000 1.048 43 N CA -0.783 52.226 53.050 -0.069 0.000 0.858 43 N CB 1.675 40.176 38.487 0.023 0.000 1.218 43 N HN 0.367 nan 8.380 nan 0.000 0.488 44 Y N 0.540 120.936 120.300 0.161 0.000 2.477 44 Y HA 0.630 5.180 4.550 -0.000 0.000 0.347 44 Y C 0.939 176.912 175.900 0.122 0.000 0.981 44 Y CA -0.606 57.569 58.100 0.125 0.000 1.033 44 Y CB 1.769 40.290 38.460 0.102 0.000 1.245 44 Y HN 0.757 nan 8.280 nan 0.000 0.455 45 G N 0.744 109.682 108.800 0.230 0.000 2.569 45 G HA2 -0.062 3.897 3.960 -0.000 0.000 0.259 45 G HA3 -0.062 3.897 3.960 -0.000 0.000 0.259 45 G C -0.830 174.153 174.900 0.139 0.000 1.263 45 G CA -0.248 44.948 45.100 0.159 0.000 0.928 45 G HN 1.414 nan 8.290 nan 0.000 0.572 46 V N -3.173 116.814 119.914 0.121 0.000 2.864 46 V HA 0.901 5.021 4.120 -0.000 0.000 0.314 46 V C 1.077 177.263 176.094 0.154 0.000 1.073 46 V CA 0.335 62.702 62.300 0.112 0.000 0.956 46 V CB 1.193 33.052 31.823 0.061 0.000 1.023 46 V HN 2.466 nan 8.190 nan 0.000 0.435 47 A N 2.280 125.185 122.820 0.141 0.000 2.030 47 A HA 0.288 4.608 4.320 -0.000 0.000 0.215 47 A C 0.966 178.687 177.584 0.229 0.000 1.164 47 A CA 0.876 52.990 52.037 0.128 0.000 0.697 47 A CB -0.353 18.667 19.000 0.033 0.000 0.827 47 A HN 0.923 nan 8.150 nan 0.000 0.457 48 N N -0.459 118.372 118.700 0.218 0.000 2.519 48 N HA 0.254 4.994 4.740 -0.000 0.000 0.286 48 N C 0.277 175.877 175.510 0.149 0.000 1.079 48 N CA -0.408 52.812 53.050 0.283 0.000 0.878 48 N CB 1.084 39.720 38.487 0.248 0.000 1.375 48 N HN 0.191 nan 8.380 nan 0.000 0.514 49 R N 1.642 122.207 120.500 0.108 0.000 2.115 49 R HA -0.113 4.227 4.340 -0.000 0.000 0.230 49 R C 1.794 178.080 176.300 -0.025 0.000 1.111 49 R CA 2.012 58.063 56.100 -0.080 0.000 0.976 49 R CB -0.010 30.074 30.300 -0.360 0.000 0.870 49 R HN 0.748 nan 8.270 nan 0.000 0.445 50 E N 0.987 121.195 120.200 0.012 0.000 2.047 50 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 50 E C 1.848 178.449 176.600 0.002 0.000 0.987 50 E CA 1.621 58.016 56.400 -0.008 0.000 0.799 50 E CB -0.543 29.137 29.700 -0.033 0.000 0.752 50 E HN 0.513 nan 8.360 nan 0.000 0.449 51 S N -2.134 113.580 115.700 0.023 0.000 2.458 51 S HA 0.374 4.844 4.470 -0.000 0.000 0.223 51 S C 2.143 176.760 174.600 0.029 0.000 1.019 51 S CA 1.213 59.431 58.200 0.029 0.000 0.937 51 S CB 0.354 63.583 63.200 0.048 0.000 0.788 51 S HN 1.722 nan 8.310 nan 0.000 0.511 52 G N 1.186 110.006 108.800 0.034 0.000 2.157 52 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.248 52 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.248 52 G C 0.263 175.189 174.900 0.043 0.000 0.979 52 G CA -0.031 45.087 45.100 0.030 0.000 0.650 52 G HN 1.359 nan 8.290 nan 0.000 0.529 53 A N 0.478 123.332 122.820 0.057 0.000 2.548 53 A HA 0.568 4.888 4.320 -0.000 0.000 0.247 53 A C 1.273 178.896 177.584 0.066 0.000 1.067 53 A CA 1.190 53.262 52.037 0.058 0.000 0.757 53 A CB 0.211 19.252 19.000 0.068 0.000 0.996 53 A HN 1.833 nan 8.150 nan 0.000 0.504 54 G N 1.001 109.835 108.800 0.057 0.000 2.507 54 G HA2 0.465 4.425 3.960 -0.000 0.000 0.271 54 G HA3 0.465 4.425 3.960 -0.000 0.000 0.271 54 G C -0.115 174.837 174.900 0.087 0.000 1.189 54 G CA -0.470 44.673 45.100 0.071 0.000 0.859 54 G HN 0.784 nan 8.290 nan 0.000 0.542 55 V N 0.973 120.965 119.914 0.130 0.000 2.649 55 V HA 0.510 4.629 4.120 -0.000 0.000 0.292 55 V C 0.731 176.908 176.094 0.138 0.000 1.055 55 V CA 0.198 62.610 62.300 0.186 0.000 1.023 55 V CB 0.936 32.957 31.823 0.329 0.000 0.992 55 V HN 1.095 nan 8.190 nan 0.000 0.480 56 S N 2.543 118.321 115.700 0.130 0.000 2.697 56 S HA 0.413 4.883 4.470 -0.000 0.000 0.289 56 S C 0.497 175.131 174.600 0.057 0.000 1.149 56 S CA -0.464 57.768 58.200 0.053 0.000 0.850 56 S CB 1.826 65.024 63.200 -0.004 0.000 1.151 56 S HN 0.757 nan 8.310 nan 0.000 0.491 57 E N 0.016 120.161 120.200 -0.092 0.000 2.516 57 E HA -0.070 4.280 4.350 -0.000 0.000 0.199 57 E C 0.726 177.246 176.600 -0.133 0.000 1.069 57 E CA 0.643 56.929 56.400 -0.190 0.000 0.876 57 E CB -0.344 28.895 29.700 -0.768 0.000 0.843 57 E HN 0.762 nan 8.360 nan 0.000 0.530 58 Q N 0.445 120.198 119.800 -0.078 0.000 2.281 58 Q HA 0.121 4.461 4.340 -0.000 0.000 0.215 58 Q C -0.008 175.995 176.000 0.006 0.000 0.867 58 Q CA 0.049 55.808 55.803 -0.073 0.000 0.940 58 Q CB 0.868 29.529 28.738 -0.128 0.000 1.111 58 Q HN 0.084 nan 8.270 nan 0.000 0.513 59 T N 1.868 116.466 114.554 0.073 0.000 2.928 59 T HA 0.148 4.497 4.350 -0.000 0.000 0.305 59 T C 0.047 174.796 174.700 0.082 0.000 1.035 59 T CA 0.242 62.370 62.100 0.046 0.000 1.145 59 T CB 0.403 69.290 68.868 0.031 0.000 0.963 59 T HN 0.129 nan 8.240 nan 0.000 0.545 60 L N 4.084 125.300 121.223 -0.012 0.000 2.290 60 L HA 0.502 4.841 4.340 -0.000 0.000 0.284 60 L C -0.541 176.304 176.870 -0.042 0.000 1.078 60 L CA -0.439 54.417 54.840 0.026 0.000 0.815 60 L CB 0.335 42.359 42.059 -0.057 0.000 1.162 60 L HN 0.545 nan 8.230 nan 0.000 0.435 61 F N 0.645 120.641 119.950 0.076 0.000 2.561 61 F HA 0.379 4.906 4.527 -0.000 0.000 0.321 61 F C 0.400 176.025 175.800 -0.292 0.000 1.065 61 F CA -0.857 57.170 58.000 0.046 0.000 0.934 61 F CB 1.599 40.755 39.000 0.260 0.000 1.215 61 F HN 0.386 nan 8.300 nan 0.000 0.471 62 E N 2.346 122.116 120.200 -0.717 0.000 2.313 62 E HA 0.239 4.588 4.350 -0.000 0.000 0.276 62 E C 0.565 177.100 176.600 -0.108 0.000 1.031 62 E CA -0.044 56.060 56.400 -0.492 0.000 0.857 62 E CB 1.092 30.339 29.700 -0.754 0.000 1.040 62 E HN 0.636 nan 8.360 nan 0.000 0.408 63 I N -0.173 120.403 120.570 0.010 0.000 4.082 63 I HA 0.335 4.505 4.170 -0.000 0.000 0.337 63 I C 0.988 177.170 176.117 0.109 0.000 1.352 63 I CA -0.202 61.152 61.300 0.090 0.000 1.097 63 I CB 0.009 38.059 38.000 0.082 0.000 1.048 63 I HN 0.713 nan 8.210 nan 0.000 0.393 64 G N 2.262 111.136 108.800 0.123 0.000 2.652 64 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.318 64 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.318 64 G C 0.791 175.803 174.900 0.186 0.000 1.295 64 G CA 0.752 45.957 45.100 0.176 0.000 0.999 64 G HN 0.377 nan 8.290 nan 0.000 0.548 65 S N -0.092 115.704 115.700 0.160 0.000 2.493 65 S HA -0.004 4.465 4.470 -0.000 0.000 0.243 65 S C 2.328 176.976 174.600 0.080 0.000 0.991 65 S CA 1.321 59.608 58.200 0.145 0.000 0.957 65 S CB -0.169 63.084 63.200 0.088 0.000 0.756 65 S HN 0.702 nan 8.310 nan 0.000 0.521 66 V N 1.388 121.342 119.914 0.066 0.000 2.913 66 V HA -0.110 4.010 4.120 -0.000 0.000 0.260 66 V C 2.115 178.200 176.094 -0.015 0.000 1.098 66 V CA 1.324 63.634 62.300 0.016 0.000 1.121 66 V CB -0.768 31.092 31.823 0.061 0.000 0.714 66 V HN 0.443 nan 8.190 nan 0.000 0.487 67 S N -0.039 115.680 115.700 0.032 0.000 2.419 67 S HA -0.230 4.240 4.470 -0.000 0.000 0.235 67 S C 1.926 176.536 174.600 0.016 0.000 1.019 67 S CA 1.323 59.536 58.200 0.021 0.000 0.982 67 S CB -0.262 62.978 63.200 0.067 0.000 0.789 67 S HN 0.645 nan 8.310 nan 0.000 0.490 68 K N 0.922 121.340 120.400 0.031 0.000 2.209 68 K HA -0.094 4.225 4.320 -0.000 0.000 0.204 68 K C 2.410 178.973 176.600 -0.063 0.000 1.048 68 K CA 1.595 57.905 56.287 0.037 0.000 0.940 68 K CB -0.442 32.119 32.500 0.102 0.000 0.729 68 K HN 0.605 nan 8.250 nan 0.000 0.451 69 T N -0.519 113.913 114.554 -0.204 0.000 2.904 69 T HA -0.020 4.330 4.350 -0.000 0.000 0.267 69 T C 1.760 176.426 174.700 -0.057 0.000 1.059 69 T CA 0.519 62.393 62.100 -0.377 0.000 1.137 69 T CB -0.017 68.295 68.868 -0.926 0.000 0.879 69 T HN -0.053 nan 8.240 nan 0.000 0.467 70 L N 1.236 122.403 121.223 -0.093 0.000 2.095 70 L HA 0.056 4.395 4.340 -0.000 0.000 0.204 70 L C 2.897 179.766 176.870 -0.001 0.000 1.080 70 L CA 1.546 56.292 54.840 -0.157 0.000 0.759 70 L CB -1.902 39.978 42.059 -0.299 0.000 0.914 70 L HN 0.354 nan 8.230 nan 0.000 0.439 71 T N 0.560 115.170 114.554 0.092 0.000 2.788 71 T HA -0.109 4.240 4.350 -0.000 0.000 0.268 71 T C 2.009 176.851 174.700 0.236 0.000 1.044 71 T CA 1.300 63.537 62.100 0.228 0.000 1.139 71 T CB -0.078 68.928 68.868 0.231 0.000 0.867 71 T HN 0.392 nan 8.240 nan 0.000 0.454 72 A N 1.242 124.172 122.820 0.184 0.000 1.933 72 A HA -0.111 4.208 4.320 -0.000 0.000 0.218 72 A C 2.529 180.250 177.584 0.228 0.000 1.175 72 A CA 1.942 54.112 52.037 0.221 0.000 0.628 72 A CB -1.127 17.904 19.000 0.051 0.000 0.814 72 A HN 0.466 nan 8.150 nan 0.000 0.444 73 T N 0.003 114.665 114.554 0.181 0.000 2.867 73 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 73 T C 1.794 176.583 174.700 0.149 0.000 1.057 73 T CA 1.380 63.590 62.100 0.184 0.000 1.136 73 T CB -0.291 68.706 68.868 0.216 0.000 0.874 73 T HN 0.335 nan 8.240 nan 0.000 0.466 74 L N 1.510 122.799 121.223 0.109 0.000 2.056 74 L HA 0.145 4.485 4.340 -0.000 0.000 0.207 74 L C 2.534 179.480 176.870 0.127 0.000 1.078 74 L CA 1.936 56.826 54.840 0.084 0.000 0.749 74 L CB -1.143 40.943 42.059 0.045 0.000 0.901 74 L HN 0.257 nan 8.230 nan 0.000 0.433 75 G N -1.024 107.853 108.800 0.129 0.000 2.418 75 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 75 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 75 G C 1.601 176.602 174.900 0.168 0.000 1.158 75 G CA 0.778 45.909 45.100 0.052 0.000 0.771 75 G HN 0.631 nan 8.290 nan 0.000 0.545 76 A N -0.138 122.818 122.820 0.228 0.000 1.933 76 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 76 A C 2.175 179.849 177.584 0.149 0.000 1.175 76 A CA 1.629 53.775 52.037 0.182 0.000 0.628 76 A CB -0.656 18.446 19.000 0.170 0.000 0.814 76 A HN 0.518 nan 8.150 nan 0.000 0.444 77 Y N 0.414 120.732 120.300 0.028 0.000 2.224 77 Y HA -0.100 4.450 4.550 -0.000 0.000 0.289 77 Y C 2.598 178.486 175.900 -0.020 0.000 1.146 77 Y CA 1.344 59.442 58.100 -0.003 0.000 1.182 77 Y CB -0.232 38.216 38.460 -0.020 0.000 0.983 77 Y HN 0.330 nan 8.280 nan 0.000 0.524 78 A N -0.726 122.089 122.820 -0.009 0.000 1.933 78 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 78 A C 2.259 179.770 177.584 -0.121 0.000 1.175 78 A CA 1.807 53.772 52.037 -0.120 0.000 0.628 78 A CB -1.213 17.718 19.000 -0.115 0.000 0.814 78 A HN 0.350 nan 8.150 nan 0.000 0.444 79 V N -0.415 119.471 119.914 -0.047 0.000 2.307 79 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 79 V C 2.576 178.638 176.094 -0.053 0.000 1.045 79 V CA 1.970 64.259 62.300 -0.018 0.000 1.024 79 V CB -0.714 31.137 31.823 0.048 0.000 0.651 79 V HN 0.372 nan 8.190 nan 0.000 0.449 80 V N -0.250 119.618 119.914 -0.076 0.000 2.392 80 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 80 V C 2.412 178.411 176.094 -0.159 0.000 1.059 80 V CA 1.623 63.864 62.300 -0.098 0.000 1.051 80 V CB -0.684 31.086 31.823 -0.088 0.000 0.658 80 V HN 0.471 nan 8.190 nan 0.000 0.455 81 K N -0.029 120.211 120.400 -0.266 0.000 2.504 81 K HA 0.093 4.412 4.320 -0.000 0.000 0.195 81 K C 1.614 178.126 176.600 -0.146 0.000 1.036 81 K CA 0.888 57.017 56.287 -0.263 0.000 0.984 81 K CB -0.264 31.994 32.500 -0.402 0.000 0.788 81 K HN 0.631 nan 8.250 nan 0.000 0.488 82 G N 0.556 109.293 108.800 -0.106 0.000 2.143 82 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.249 82 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.249 82 G C 0.928 175.803 174.900 -0.042 0.000 0.981 82 G CA 0.531 45.597 45.100 -0.057 0.000 0.665 82 G HN 0.410 nan 8.290 nan 0.000 0.528 83 A N -0.794 121.985 122.820 -0.068 0.000 2.119 83 A HA 0.645 4.965 4.320 -0.000 0.000 0.216 83 A C 1.164 178.738 177.584 -0.016 0.000 1.152 83 A CA 1.954 53.960 52.037 -0.050 0.000 0.708 83 A CB -0.227 18.716 19.000 -0.095 0.000 0.805 83 A HN 1.721 nan 8.150 nan 0.000 0.460 84 M N -3.762 115.822 119.600 -0.026 0.000 2.895 84 M HA 0.559 5.038 4.480 -0.000 0.000 0.271 84 M C -2.236 174.095 176.300 0.052 0.000 1.174 84 M CA -0.915 54.400 55.300 0.025 0.000 0.816 84 M CB 1.178 33.619 32.600 -0.265 0.000 1.647 84 M HN -0.168 nan 8.290 nan 0.000 0.506 85 Q N 0.968 120.839 119.800 0.119 0.000 2.394 85 Q HA 0.546 4.886 4.340 -0.000 0.000 0.273 85 Q C 0.279 176.366 176.000 0.146 0.000 1.089 85 Q CA -0.613 55.254 55.803 0.106 0.000 0.812 85 Q CB 2.742 31.533 28.738 0.088 0.000 1.353 85 Q HN 0.984 nan 8.270 nan 0.000 0.438 86 L N 0.608 121.921 121.223 0.150 0.000 2.191 86 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 86 L C 1.017 177.982 176.870 0.158 0.000 1.103 86 L CA 1.595 56.548 54.840 0.188 0.000 0.769 86 L CB -0.287 41.886 42.059 0.190 0.000 0.908 86 L HN 0.662 nan 8.230 nan 0.000 0.438 87 D N -2.217 118.255 120.400 0.120 0.000 2.349 87 D HA -0.046 4.594 4.640 -0.000 0.000 0.224 87 D C 0.285 176.643 176.300 0.097 0.000 1.029 87 D CA -0.076 53.982 54.000 0.097 0.000 0.879 87 D CB -0.371 40.469 40.800 0.068 0.000 0.906 87 D HN 0.091 nan 8.370 nan 0.000 0.528 88 D N 1.401 121.875 120.400 0.124 0.000 2.414 88 D HA 0.052 4.692 4.640 -0.000 0.000 0.242 88 D C 0.547 176.910 176.300 0.105 0.000 1.129 88 D CA 0.103 54.170 54.000 0.112 0.000 0.885 88 D CB 0.754 41.675 40.800 0.201 0.000 1.198 88 D HN -0.088 nan 8.370 nan 0.000 0.437 89 K N 1.296 121.726 120.400 0.050 0.000 2.326 89 K HA 0.183 4.503 4.320 -0.000 0.000 0.275 89 K C 0.849 177.484 176.600 0.060 0.000 1.018 89 K CA -0.235 56.086 56.287 0.056 0.000 0.962 89 K CB 0.976 33.489 32.500 0.021 0.000 0.953 89 K HN 0.412 nan 8.250 nan 0.000 0.475 90 A N 2.450 125.336 122.820 0.110 0.000 1.917 90 A HA -0.222 4.097 4.320 -0.000 0.000 0.219 90 A C 2.030 179.590 177.584 -0.040 0.000 1.182 90 A CA 2.498 54.586 52.037 0.085 0.000 0.633 90 A CB -0.654 18.428 19.000 0.138 0.000 0.819 90 A HN 0.785 nan 8.150 nan 0.000 0.448 91 S N -0.505 115.167 115.700 -0.046 0.000 2.500 91 S HA -0.166 4.304 4.470 -0.000 0.000 0.239 91 S C 1.817 176.316 174.600 -0.169 0.000 0.989 91 S CA 1.111 59.232 58.200 -0.131 0.000 0.951 91 S CB -0.480 62.685 63.200 -0.059 0.000 0.759 91 S HN 0.655 nan 8.310 nan 0.000 0.523 92 R N 0.590 120.967 120.500 -0.206 0.000 2.189 92 R HA -0.051 4.289 4.340 -0.000 0.000 0.223 92 R C 1.034 177.027 176.300 -0.511 0.000 1.092 92 R CA 1.272 57.159 56.100 -0.355 0.000 0.989 92 R CB -0.168 29.861 30.300 -0.451 0.000 0.876 92 R HN 0.574 nan 8.270 nan 0.000 0.457 93 H N -1.696 117.310 119.070 -0.107 0.000 2.672 93 H HA 0.355 4.911 4.556 -0.000 0.000 0.277 93 H C -0.651 174.575 175.328 -0.170 0.000 1.074 93 H CA 0.424 56.402 56.048 -0.117 0.000 1.173 93 H CB 1.283 30.979 29.762 -0.111 0.000 1.558 93 H HN 0.158 nan 8.280 nan 0.000 0.539 94 A N 2.034 124.732 122.820 -0.204 0.000 2.611 94 A HA 0.323 4.643 4.320 -0.000 0.000 0.282 94 A C -1.975 175.369 177.584 -0.399 0.000 1.114 94 A CA -1.065 50.718 52.037 -0.423 0.000 0.800 94 A CB 1.436 19.867 19.000 -0.948 0.000 1.325 94 A HN -0.145 nan 8.150 nan 0.000 0.411 95 P HA -0.160 nan 4.420 nan 0.000 0.219 95 P C 1.268 178.583 177.300 0.024 0.000 1.146 95 P CA 1.273 64.353 63.100 -0.034 0.000 0.808 95 P CB -0.156 31.578 31.700 0.058 0.000 0.779 96 W N -0.482 120.836 121.300 0.030 0.000 2.961 96 W HA 0.126 4.786 4.660 -0.001 0.000 0.240 96 W C 0.995 177.546 176.519 0.052 0.000 1.305 96 W CA -0.096 57.272 57.345 0.040 0.000 1.465 96 W CB -1.438 28.046 29.460 0.039 0.000 1.135 96 W HN -0.092 nan 8.180 nan 0.000 0.688 97 L N 1.051 122.111 121.223 -0.273 0.000 2.585 97 L HA 0.122 4.462 4.340 -0.000 0.000 0.226 97 L C 1.134 178.000 176.870 -0.005 0.000 1.113 97 L CA 0.193 54.913 54.840 -0.200 0.000 0.876 97 L CB -0.378 41.389 42.059 -0.487 0.000 1.072 97 L HN -0.359 nan 8.230 nan 0.000 0.468 98 K N 1.277 121.671 120.400 -0.010 0.000 2.451 98 K HA 0.168 4.487 4.320 -0.000 0.000 0.280 98 K C 1.001 177.639 176.600 0.063 0.000 1.020 98 K CA 0.838 57.138 56.287 0.022 0.000 1.008 98 K CB 0.347 32.855 32.500 0.014 0.000 0.917 98 K HN 0.261 nan 8.250 nan 0.000 0.478 99 G N 1.319 110.154 108.800 0.058 0.000 2.132 99 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.228 99 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.228 99 G C 0.095 175.047 174.900 0.088 0.000 1.000 99 G CA 0.498 45.636 45.100 0.064 0.000 0.693 99 G HN 0.775 nan 8.290 nan 0.000 0.515 100 S N -1.952 113.817 115.700 0.114 0.000 2.811 100 S HA 0.865 5.335 4.470 -0.000 0.000 0.311 100 S C 1.489 176.148 174.600 0.098 0.000 1.152 100 S CA 0.281 58.575 58.200 0.158 0.000 0.864 100 S CB 1.438 64.826 63.200 0.312 0.000 1.226 100 S HN 1.608 nan 8.310 nan 0.000 0.541 101 A N -0.102 122.744 122.820 0.043 0.000 2.070 101 A HA 0.147 4.467 4.320 -0.000 0.000 0.220 101 A C 1.217 178.666 177.584 -0.224 0.000 1.159 101 A CA 1.002 52.957 52.037 -0.137 0.000 0.656 101 A CB -1.165 17.692 19.000 -0.238 0.000 0.800 101 A HN 0.723 nan 8.150 nan 0.000 0.453 102 F N 0.128 120.150 119.950 0.121 0.000 2.816 102 F HA 0.017 4.544 4.527 -0.000 0.000 0.302 102 F C 1.321 177.126 175.800 0.009 0.000 1.178 102 F CA 0.383 58.418 58.000 0.058 0.000 1.421 102 F CB 0.091 39.081 39.000 -0.017 0.000 1.114 102 F HN 0.193 nan 8.300 nan 0.000 0.573 103 D N -0.960 119.495 120.400 0.091 0.000 2.348 103 D HA 0.013 4.653 4.640 -0.000 0.000 0.211 103 D C 1.261 177.580 176.300 0.031 0.000 0.998 103 D CA 0.742 54.771 54.000 0.048 0.000 0.873 103 D CB 0.236 41.054 40.800 0.029 0.000 0.925 103 D HN 0.130 nan 8.370 nan 0.000 0.524 104 S N -0.099 115.612 115.700 0.019 0.000 2.754 104 S HA 0.310 4.780 4.470 -0.000 0.000 0.247 104 S C 0.500 175.116 174.600 0.025 0.000 1.031 104 S CA -0.316 57.892 58.200 0.013 0.000 1.014 104 S CB 1.208 64.403 63.200 -0.008 0.000 0.918 104 S HN 0.073 nan 8.310 nan 0.000 0.519 105 I N 2.176 122.778 120.570 0.053 0.000 2.545 105 I HA 0.345 4.514 4.170 -0.000 0.000 0.292 105 I C 0.393 176.591 176.117 0.135 0.000 1.040 105 I CA -0.594 60.760 61.300 0.091 0.000 1.068 105 I CB 2.322 40.372 38.000 0.082 0.000 1.251 105 I HN 0.091 nan 8.210 nan 0.000 0.424 106 T N 2.423 117.056 114.554 0.130 0.000 2.902 106 T HA 0.296 4.646 4.350 -0.000 0.000 0.280 106 T C 1.137 175.944 174.700 0.178 0.000 0.992 106 T CA -0.787 61.398 62.100 0.142 0.000 1.015 106 T CB 1.272 70.213 68.868 0.122 0.000 1.044 106 T HN 0.398 nan 8.240 nan 0.000 0.520 107 M N 1.146 120.875 119.600 0.215 0.000 2.159 107 M HA 0.044 4.524 4.480 -0.000 0.000 0.263 107 M C 2.612 179.047 176.300 0.226 0.000 1.063 107 M CA 1.933 57.428 55.300 0.325 0.000 1.110 107 M CB -1.936 30.890 32.600 0.378 0.000 1.374 107 M HN 0.976 nan 8.290 nan 0.000 0.411 108 G N 0.062 108.945 108.800 0.138 0.000 2.418 108 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.217 108 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.217 108 G C 1.483 176.352 174.900 -0.052 0.000 1.158 108 G CA 0.690 45.797 45.100 0.011 0.000 0.771 108 G HN 0.527 nan 8.290 nan 0.000 0.545 109 E N -0.002 120.228 120.200 0.050 0.000 2.106 109 E HA -0.015 4.335 4.350 -0.000 0.000 0.192 109 E C 2.549 179.160 176.600 0.018 0.000 0.984 109 E CA 0.393 56.829 56.400 0.060 0.000 0.806 109 E CB -0.158 29.605 29.700 0.105 0.000 0.750 109 E HN 0.385 nan 8.360 nan 0.000 0.458 110 L N 0.547 121.792 121.223 0.036 0.000 2.056 110 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 110 L C 2.594 179.363 176.870 -0.169 0.000 1.078 110 L CA 0.994 55.859 54.840 0.043 0.000 0.749 110 L CB -0.454 41.704 42.059 0.165 0.000 0.901 110 L HN 0.152 nan 8.230 nan 0.000 0.433 111 A N -0.214 122.314 122.820 -0.487 0.000 1.972 111 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 111 A C 2.113 179.204 177.584 -0.822 0.000 1.169 111 A CA 2.058 53.540 52.037 -0.925 0.000 0.635 111 A CB -0.751 17.232 19.000 -1.694 0.000 0.810 111 A HN 0.509 nan 8.150 nan 0.000 0.446 112 T N -5.731 108.465 114.554 -0.596 0.000 3.186 112 T HA 0.304 4.654 4.350 -0.000 0.000 0.257 112 T C 0.212 174.749 174.700 -0.271 0.000 1.029 112 T CA 0.158 61.937 62.100 -0.535 0.000 0.916 112 T CB -0.717 68.051 68.868 -0.167 0.000 1.041 112 T HN 0.667 nan 8.240 nan 0.000 0.562 113 Y N 0.928 121.279 120.300 0.086 0.000 4.079 113 Y HA -0.258 4.292 4.550 -0.000 0.000 0.223 113 Y C 1.253 177.229 175.900 0.127 0.000 1.155 113 Y CA 0.240 58.409 58.100 0.115 0.000 1.805 113 Y CB -3.169 35.390 38.460 0.165 0.000 1.571 113 Y HN 0.646 nan 8.280 nan 0.000 0.654 114 S N -2.197 113.614 115.700 0.186 0.000 2.664 114 S HA 0.692 5.162 4.470 -0.000 0.000 0.245 114 S C 1.536 176.219 174.600 0.139 0.000 1.019 114 S CA -0.116 58.157 58.200 0.121 0.000 0.996 114 S CB 0.741 63.945 63.200 0.006 0.000 0.878 114 S HN 0.540 nan 8.310 nan 0.000 0.493 115 A N 1.555 124.477 122.820 0.170 0.000 2.067 115 A HA 0.505 4.825 4.320 -0.000 0.000 0.219 115 A C 1.680 179.439 177.584 0.291 0.000 1.158 115 A CA 0.820 52.972 52.037 0.191 0.000 0.661 115 A CB -0.792 18.311 19.000 0.172 0.000 0.801 115 A HN 1.609 nan 8.150 nan 0.000 0.452 116 G N -3.439 105.575 108.800 0.356 0.000 2.192 116 G HA2 0.423 4.382 3.960 -0.000 0.000 0.152 116 G HA3 0.423 4.382 3.960 -0.000 0.000 0.152 116 G C 0.963 176.247 174.900 0.640 0.000 1.057 116 G CA 0.409 45.796 45.100 0.478 0.000 0.748 116 G HN 1.930 nan 8.290 nan 0.000 0.488 117 G N -0.888 108.260 108.800 0.580 0.000 2.138 117 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.193 117 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.193 117 G C 0.499 175.682 174.900 0.473 0.000 0.998 117 G CA -0.004 45.432 45.100 0.561 0.000 0.668 117 G HN 1.199 nan 8.290 nan 0.000 0.516 118 L N 2.459 123.803 121.223 0.202 0.000 2.525 118 L HA 0.237 4.576 4.340 -0.000 0.000 0.278 118 L C -0.686 176.195 176.870 0.019 0.000 1.218 118 L CA -1.138 53.630 54.840 -0.120 0.000 0.878 118 L CB 0.447 42.334 42.059 -0.288 0.000 1.127 118 L HN 0.108 nan 8.230 nan 0.000 0.492 119 P HA -0.050 nan 4.420 nan 0.000 0.272 119 P C 0.514 177.704 177.300 -0.183 0.000 1.240 119 P CA -0.552 62.533 63.100 -0.025 0.000 0.791 119 P CB 0.933 32.650 31.700 0.027 0.000 0.978 120 L N -0.026 121.073 121.223 -0.206 0.000 2.012 120 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 120 L C 0.836 177.487 176.870 -0.365 0.000 1.073 120 L CA 2.065 56.679 54.840 -0.376 0.000 0.748 120 L CB -0.784 41.118 42.059 -0.262 0.000 0.891 120 L HN 0.363 nan 8.230 nan 0.000 0.431 121 Q N -1.437 118.213 119.800 -0.250 0.000 2.451 121 Q HA 0.276 4.616 4.340 -0.000 0.000 0.281 121 Q C -1.030 174.824 176.000 -0.242 0.000 1.099 121 Q CA -0.914 54.751 55.803 -0.230 0.000 0.806 121 Q CB 1.472 30.140 28.738 -0.117 0.000 1.419 121 Q HN 0.005 nan 8.270 nan 0.000 0.427 122 F N 1.625 121.446 119.950 -0.214 0.000 2.496 122 F HA 0.184 4.710 4.527 -0.000 0.000 0.344 122 F C -1.494 174.129 175.800 -0.295 0.000 1.155 122 F CA -1.064 56.699 58.000 -0.395 0.000 1.302 122 F CB -0.317 38.451 39.000 -0.386 0.000 1.159 122 F HN 0.203 nan 8.300 nan 0.000 0.595 123 P HA 0.037 nan 4.420 nan 0.000 0.269 123 P C 0.361 177.637 177.300 -0.040 0.000 1.209 123 P CA 0.080 63.148 63.100 -0.053 0.000 0.776 123 P CB 0.496 32.176 31.700 -0.032 0.000 0.876 124 E N 1.165 121.354 120.200 -0.018 0.000 2.187 124 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 124 E C 1.338 177.917 176.600 -0.034 0.000 1.004 124 E CA 1.137 57.527 56.400 -0.017 0.000 0.813 124 E CB -0.104 29.592 29.700 -0.006 0.000 0.736 124 E HN 0.507 nan 8.360 nan 0.000 0.468 125 E N 0.370 120.548 120.200 -0.037 0.000 2.274 125 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 125 E C 0.491 177.039 176.600 -0.087 0.000 0.996 125 E CA 0.327 56.700 56.400 -0.045 0.000 0.840 125 E CB 0.132 29.820 29.700 -0.020 0.000 0.772 125 E HN 0.072 nan 8.360 nan 0.000 0.491 126 V N 4.125 123.953 119.914 -0.142 0.000 2.302 126 V HA -0.041 4.078 4.120 -0.000 0.000 0.244 126 V C 0.211 176.137 176.094 -0.281 0.000 1.160 126 V CA 0.441 62.584 62.300 -0.261 0.000 1.127 126 V CB -0.386 31.157 31.823 -0.466 0.000 1.253 126 V HN 0.156 nan 8.190 nan 0.000 0.496 127 D N 1.324 121.605 120.400 -0.198 0.000 2.599 127 D HA 0.192 4.832 4.640 -0.000 0.000 0.249 127 D C 0.298 176.505 176.300 -0.155 0.000 1.313 127 D CA 0.028 53.931 54.000 -0.161 0.000 0.815 127 D CB 0.568 41.313 40.800 -0.092 0.000 1.077 127 D HN 0.540 nan 8.370 nan 0.000 0.492 128 S N -2.291 113.293 115.700 -0.194 0.000 2.596 128 S HA 0.442 4.912 4.470 -0.000 0.000 0.270 128 S C 0.704 175.176 174.600 -0.214 0.000 1.155 128 S CA -0.115 57.985 58.200 -0.167 0.000 0.827 128 S CB 1.464 64.591 63.200 -0.122 0.000 1.130 128 S HN -0.102 nan 8.310 nan 0.000 0.467 129 S N 0.434 116.018 115.700 -0.194 0.000 2.359 129 S HA -0.186 4.284 4.470 -0.000 0.000 0.224 129 S C 1.624 176.071 174.600 -0.255 0.000 1.035 129 S CA 2.224 60.280 58.200 -0.240 0.000 1.018 129 S CB -0.829 62.251 63.200 -0.201 0.000 0.876 129 S HN 0.794 nan 8.310 nan 0.000 0.448 130 E N 0.916 121.005 120.200 -0.185 0.000 2.077 130 E HA -0.073 4.277 4.350 -0.000 0.000 0.193 130 E C 2.084 178.607 176.600 -0.129 0.000 0.989 130 E CA 1.488 57.797 56.400 -0.152 0.000 0.800 130 E CB -0.175 29.465 29.700 -0.100 0.000 0.746 130 E HN 0.601 nan 8.360 nan 0.000 0.452 131 K N -0.389 119.934 120.400 -0.129 0.000 2.148 131 K HA -0.061 4.259 4.320 -0.000 0.000 0.204 131 K C 2.214 178.741 176.600 -0.122 0.000 1.050 131 K CA 1.269 57.495 56.287 -0.103 0.000 0.942 131 K CB -0.171 32.259 32.500 -0.116 0.000 0.724 131 K HN 0.251 nan 8.250 nan 0.000 0.446 132 M N 0.805 120.267 119.600 -0.230 0.000 2.132 132 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 132 M C 1.948 178.237 176.300 -0.018 0.000 1.065 132 M CA 1.545 56.679 55.300 -0.277 0.000 1.122 132 M CB 0.075 32.428 32.600 -0.412 0.000 1.365 132 M HN 0.009 nan 8.290 nan 0.000 0.411 133 R N 0.091 120.506 120.500 -0.141 0.000 2.081 133 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 133 R C 2.299 178.712 176.300 0.189 0.000 1.131 133 R CA 1.480 57.529 56.100 -0.085 0.000 0.960 133 R CB -0.620 29.428 30.300 -0.420 0.000 0.856 133 R HN 0.493 nan 8.270 nan 0.000 0.436 134 A N 0.660 123.537 122.820 0.096 0.000 1.902 134 A HA -0.234 4.085 4.320 -0.000 0.000 0.217 134 A C 1.996 179.690 177.584 0.185 0.000 1.181 134 A CA 1.304 53.419 52.037 0.130 0.000 0.623 134 A CB -0.752 18.293 19.000 0.073 0.000 0.818 134 A HN 0.469 nan 8.150 nan 0.000 0.443 135 Y N -0.732 119.606 120.300 0.063 0.000 2.097 135 Y HA -0.296 4.254 4.550 -0.000 0.000 0.282 135 Y C 2.176 178.207 175.900 0.219 0.000 1.152 135 Y CA 2.101 60.242 58.100 0.068 0.000 1.136 135 Y CB -0.675 37.730 38.460 -0.091 0.000 0.975 135 Y HN 0.361 nan 8.280 nan 0.000 0.498 136 Y N 0.361 120.786 120.300 0.209 0.000 2.224 136 Y HA -0.158 4.392 4.550 -0.000 0.000 0.289 136 Y C 2.587 178.710 175.900 0.371 0.000 1.146 136 Y CA 1.844 60.090 58.100 0.244 0.000 1.182 136 Y CB -0.528 38.075 38.460 0.238 0.000 0.983 136 Y HN 0.062 nan 8.280 nan 0.000 0.524 137 R N 0.258 121.034 120.500 0.459 0.000 2.189 137 R HA -0.156 4.184 4.340 -0.000 0.000 0.223 137 R C 1.843 178.286 176.300 0.238 0.000 1.092 137 R CA 1.501 57.814 56.100 0.354 0.000 0.989 137 R CB -0.217 30.257 30.300 0.290 0.000 0.876 137 R HN 0.599 nan 8.270 nan 0.000 0.457 138 Q N -1.161 118.744 119.800 0.176 0.000 2.352 138 Q HA -0.019 4.321 4.340 -0.000 0.000 0.212 138 Q C 0.153 176.186 176.000 0.055 0.000 0.888 138 Q CA -0.438 55.419 55.803 0.090 0.000 0.934 138 Q CB -0.107 28.671 28.738 0.066 0.000 1.093 138 Q HN 0.197 nan 8.270 nan 0.000 0.523 139 W N 2.410 123.643 121.300 -0.112 0.000 2.295 139 W HA 0.297 4.956 4.660 -0.000 0.000 0.335 139 W C -0.660 175.809 176.519 -0.084 0.000 1.351 139 W CA 0.128 57.379 57.345 -0.157 0.000 1.273 139 W CB 0.452 29.814 29.460 -0.162 0.000 1.214 139 W HN 0.162 nan 8.180 nan 0.000 0.563 140 A N 8.467 130.682 122.820 -1.009 0.000 2.288 140 A HA 0.585 4.905 4.320 -0.000 0.000 0.320 140 A C -2.440 174.193 177.584 -1.586 0.000 1.217 140 A CA -1.755 49.692 52.037 -0.984 0.000 0.840 140 A CB 0.524 19.211 19.000 -0.523 0.000 1.179 140 A HN 0.510 nan 8.150 nan 0.000 0.504 141 P HA 0.118 nan 4.420 nan 0.000 0.265 141 P C 0.697 177.651 177.300 -0.576 0.000 1.193 141 P CA -0.006 62.468 63.100 -1.043 0.000 0.765 141 P CB 0.836 32.238 31.700 -0.496 0.000 0.823 142 V N 1.975 121.662 119.914 -0.377 0.000 2.949 142 V HA 0.049 4.169 4.120 -0.000 0.000 0.245 142 V C 0.133 175.801 176.094 -0.710 0.000 1.086 142 V CA 1.178 63.154 62.300 -0.541 0.000 1.097 142 V CB -0.726 30.730 31.823 -0.611 0.000 0.762 142 V HN 0.469 nan 8.190 nan 0.000 0.470 143 Y N -0.514 119.745 120.300 -0.067 0.000 2.605 143 Y HA 0.553 5.103 4.550 -0.000 0.000 0.343 143 Y C 0.619 176.524 175.900 0.009 0.000 1.036 143 Y CA -1.046 57.016 58.100 -0.063 0.000 1.065 143 Y CB 1.227 39.618 38.460 -0.115 0.000 1.288 143 Y HN -0.045 nan 8.280 nan 0.000 0.481 144 S N 0.872 116.696 115.700 0.206 0.000 2.572 144 S HA 0.313 4.783 4.470 -0.000 0.000 0.279 144 S C -2.823 171.867 174.600 0.150 0.000 1.341 144 S CA -1.184 57.091 58.200 0.126 0.000 1.043 144 S CB 0.452 63.712 63.200 0.099 0.000 0.887 144 S HN 0.284 nan 8.310 nan 0.000 0.516 145 P HA 0.250 nan 4.420 nan 0.000 0.265 145 P C 1.139 178.485 177.300 0.077 0.000 1.193 145 P CA 1.269 64.433 63.100 0.107 0.000 0.765 145 P CB 0.193 31.942 31.700 0.081 0.000 0.823 146 G N 2.424 111.259 108.800 0.059 0.000 2.205 146 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.261 146 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.261 146 G C 1.254 176.100 174.900 -0.089 0.000 0.980 146 G CA 0.702 45.794 45.100 -0.014 0.000 0.632 146 G HN 0.595 nan 8.290 nan 0.000 0.533 147 S N -0.854 114.837 115.700 -0.014 0.000 2.425 147 S HA 0.318 4.787 4.470 -0.000 0.000 0.225 147 S C 0.777 175.196 174.600 -0.301 0.000 1.024 147 S CA 1.250 59.403 58.200 -0.078 0.000 0.951 147 S CB 0.139 63.409 63.200 0.117 0.000 0.796 147 S HN 0.698 nan 8.310 nan 0.000 0.498 148 H N 0.289 119.216 119.070 -0.238 0.000 2.768 148 H HA 0.634 5.190 4.556 -0.000 0.000 0.371 148 H C -0.682 174.511 175.328 -0.225 0.000 1.151 148 H CA -0.788 55.060 56.048 -0.334 0.000 1.165 148 H CB 1.321 30.662 29.762 -0.702 0.000 1.722 148 H HN 0.150 nan 8.280 nan 0.000 0.543 149 R N 2.179 122.648 120.500 -0.052 0.000 2.255 149 R HA 0.327 4.667 4.340 -0.000 0.000 0.326 149 R C -1.103 175.281 176.300 0.140 0.000 0.986 149 R CA -0.759 55.402 56.100 0.101 0.000 0.847 149 R CB 0.694 31.128 30.300 0.224 0.000 1.111 149 R HN 0.585 nan 8.270 nan 0.000 0.452 150 Q N 4.506 124.419 119.800 0.188 0.000 2.397 150 Q HA 0.086 4.425 4.340 -0.000 0.000 0.260 150 Q C -1.753 174.310 176.000 0.105 0.000 1.002 150 Q CA -0.773 55.117 55.803 0.144 0.000 0.716 150 Q CB 0.606 29.444 28.738 0.167 0.000 1.258 150 Q HN 0.573 nan 8.270 nan 0.000 0.477 151 Y N 2.735 122.965 120.300 -0.117 0.000 2.881 151 Y HA 0.330 4.880 4.550 -0.000 0.000 0.335 151 Y C -0.877 174.854 175.900 -0.280 0.000 1.263 151 Y CA 0.772 58.597 58.100 -0.460 0.000 1.572 151 Y CB 0.359 38.575 38.460 -0.406 0.000 1.237 151 Y HN 0.570 nan 8.280 nan 0.000 0.568 152 S N 4.771 120.048 115.700 -0.704 0.000 2.614 152 S HA 0.354 4.824 4.470 -0.000 0.000 0.275 152 S C 0.031 174.452 174.600 -0.298 0.000 1.161 152 S CA -0.597 57.294 58.200 -0.515 0.000 0.969 152 S CB 0.817 63.921 63.200 -0.159 0.000 1.059 152 S HN 0.896 nan 8.310 nan 0.000 0.482 153 N N 3.768 122.248 118.700 -0.367 0.000 2.171 153 N HA 0.051 4.790 4.740 -0.000 0.000 0.184 153 N C -1.386 174.018 175.510 -0.177 0.000 1.021 153 N CA 0.873 53.849 53.050 -0.124 0.000 0.854 153 N CB -0.340 38.123 38.487 -0.040 0.000 0.994 153 N HN 0.466 nan 8.380 nan 0.000 0.426 154 P HA -0.114 nan 4.420 nan 0.000 0.218 154 P C 1.265 178.551 177.300 -0.023 0.000 1.148 154 P CA 1.063 63.853 63.100 -0.516 0.000 0.822 154 P CB 0.122 31.296 31.700 -0.878 0.000 0.784 155 S N -0.849 114.852 115.700 0.001 0.000 2.335 155 S HA -0.133 4.337 4.470 -0.000 0.000 0.216 155 S C 1.796 176.476 174.600 0.133 0.000 1.032 155 S CA 0.954 59.217 58.200 0.105 0.000 1.000 155 S CB -0.932 62.368 63.200 0.168 0.000 0.928 155 S HN -0.049 nan 8.310 nan 0.000 0.434 156 I N 1.823 122.503 120.570 0.182 0.000 2.493 156 I HA 0.086 4.255 4.170 -0.000 0.000 0.254 156 I C 2.076 178.294 176.117 0.168 0.000 1.160 156 I CA 1.350 62.753 61.300 0.173 0.000 1.445 156 I CB -1.027 37.118 38.000 0.241 0.000 1.086 156 I HN 0.359 nan 8.210 nan 0.000 0.433 157 G N 0.466 109.329 108.800 0.105 0.000 2.421 157 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 157 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 157 G C 1.599 176.533 174.900 0.057 0.000 1.171 157 G CA 0.989 46.114 45.100 0.042 0.000 0.775 157 G HN 0.425 nan 8.290 nan 0.000 0.543 158 L N -0.276 121.001 121.223 0.089 0.000 2.056 158 L HA 0.131 4.471 4.340 -0.000 0.000 0.207 158 L C 2.437 179.330 176.870 0.038 0.000 1.078 158 L CA 1.491 56.333 54.840 0.004 0.000 0.749 158 L CB -0.698 41.223 42.059 -0.230 0.000 0.901 158 L HN 0.236 nan 8.230 nan 0.000 0.433 159 F N 0.268 120.189 119.950 -0.049 0.000 2.095 159 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 159 F C 2.165 177.949 175.800 -0.028 0.000 1.104 159 F CA 1.906 59.882 58.000 -0.040 0.000 1.232 159 F CB -0.973 38.005 39.000 -0.038 0.000 0.987 159 F HN 0.113 nan 8.300 nan 0.000 0.475 160 G N -1.755 107.015 108.800 -0.051 0.000 2.408 160 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.217 160 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.217 160 G C 1.430 176.224 174.900 -0.177 0.000 1.150 160 G CA 1.046 46.045 45.100 -0.168 0.000 0.776 160 G HN 0.532 nan 8.290 nan 0.000 0.542 161 H N 0.386 119.314 119.070 -0.235 0.000 2.353 161 H HA 0.093 4.649 4.556 -0.000 0.000 0.300 161 H C 2.489 177.765 175.328 -0.087 0.000 1.090 161 H CA 1.389 57.353 56.048 -0.140 0.000 1.327 161 H CB -0.130 29.594 29.762 -0.062 0.000 1.383 161 H HN 0.275 nan 8.280 nan 0.000 0.508 162 L N -0.734 120.439 121.223 -0.083 0.000 2.179 162 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 162 L C 2.740 179.435 176.870 -0.291 0.000 1.096 162 L CA 0.680 55.427 54.840 -0.155 0.000 0.779 162 L CB -0.513 41.467 42.059 -0.131 0.000 0.922 162 L HN 0.367 nan 8.230 nan 0.000 0.443 163 A N 0.465 123.049 122.820 -0.393 0.000 1.902 163 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 163 A C 2.562 180.017 177.584 -0.215 0.000 1.181 163 A CA 1.687 53.475 52.037 -0.416 0.000 0.623 163 A CB -0.585 18.100 19.000 -0.526 0.000 0.818 163 A HN 0.370 nan 8.150 nan 0.000 0.443 164 A N -0.879 121.873 122.820 -0.113 0.000 1.902 164 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 164 A C 2.480 180.007 177.584 -0.094 0.000 1.181 164 A CA 2.133 54.144 52.037 -0.044 0.000 0.623 164 A CB -0.958 18.084 19.000 0.068 0.000 0.818 164 A HN 0.555 nan 8.150 nan 0.000 0.443 165 S N 0.256 115.873 115.700 -0.139 0.000 2.382 165 S HA -0.168 4.302 4.470 -0.000 0.000 0.228 165 S C 2.306 176.868 174.600 -0.064 0.000 1.027 165 S CA 2.071 60.214 58.200 -0.094 0.000 0.991 165 S CB -0.546 62.609 63.200 -0.074 0.000 0.823 165 S HN 0.895 nan 8.310 nan 0.000 0.469 166 S N 0.842 116.467 115.700 -0.125 0.000 2.419 166 S HA 0.056 4.525 4.470 -0.000 0.000 0.233 166 S C 1.564 176.120 174.600 -0.073 0.000 1.016 166 S CA 0.902 59.034 58.200 -0.114 0.000 0.974 166 S CB -0.567 62.421 63.200 -0.352 0.000 0.786 166 S HN 0.573 nan 8.310 nan 0.000 0.492 167 L N 0.395 121.573 121.223 -0.075 0.000 2.592 167 L HA 0.325 4.665 4.340 -0.000 0.000 0.227 167 L C 0.397 177.250 176.870 -0.028 0.000 1.127 167 L CA -0.114 54.699 54.840 -0.045 0.000 0.884 167 L CB -0.352 41.693 42.059 -0.023 0.000 1.065 167 L HN 0.221 nan 8.230 nan 0.000 0.457 168 K N 0.400 120.783 120.400 -0.028 0.000 3.071 168 K HA -0.181 4.139 4.320 -0.000 0.000 0.265 168 K C -0.463 176.125 176.600 -0.020 0.000 1.060 168 K CA 0.396 56.672 56.287 -0.018 0.000 0.767 168 K CB -1.017 31.477 32.500 -0.010 0.000 1.241 168 K HN 0.261 nan 8.250 nan 0.000 0.486 169 Q N -1.153 118.629 119.800 -0.029 0.000 2.377 169 Q HA 0.367 4.707 4.340 -0.000 0.000 0.279 169 Q C -2.772 173.209 176.000 -0.033 0.000 1.049 169 Q CA -2.128 53.657 55.803 -0.030 0.000 0.825 169 Q CB 2.034 30.751 28.738 -0.035 0.000 1.401 169 Q HN -0.168 nan 8.270 nan 0.000 0.404 170 P HA 0.063 nan 4.420 nan 0.000 0.269 170 P C 0.405 177.716 177.300 0.018 0.000 1.209 170 P CA -0.086 63.014 63.100 0.001 0.000 0.776 170 P CB 0.390 32.095 31.700 0.009 0.000 0.876 171 F N 3.714 123.610 119.950 -0.089 0.000 2.065 171 F HA -0.285 4.241 4.527 -0.000 0.000 0.298 171 F C 2.130 177.894 175.800 -0.061 0.000 1.112 171 F CA 2.375 60.328 58.000 -0.077 0.000 1.212 171 F CB -0.824 38.145 39.000 -0.052 0.000 0.975 171 F HN 0.356 nan 8.300 nan 0.000 0.476 172 A N 0.487 123.318 122.820 0.019 0.000 1.851 172 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 172 A C -0.098 177.384 177.584 -0.171 0.000 1.195 172 A CA 2.144 54.128 52.037 -0.088 0.000 0.622 172 A CB -2.215 16.806 19.000 0.035 0.000 0.831 172 A HN 0.381 nan 8.150 nan 0.000 0.444 173 P HA -0.087 nan 4.420 nan 0.000 0.218 173 P C 1.651 178.856 177.300 -0.157 0.000 1.149 173 P CA 0.586 63.622 63.100 -0.107 0.000 0.817 173 P CB -0.074 31.588 31.700 -0.063 0.000 0.785 174 L N -1.627 119.479 121.223 -0.195 0.000 2.017 174 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 174 L C 2.269 178.955 176.870 -0.307 0.000 1.073 174 L CA 1.613 56.323 54.840 -0.217 0.000 0.745 174 L CB -0.469 41.463 42.059 -0.212 0.000 0.894 174 L HN 0.007 nan 8.230 nan 0.000 0.432 175 M N -0.714 118.615 119.600 -0.452 0.000 2.077 175 M HA -0.203 4.277 4.480 -0.000 0.000 0.261 175 M C 2.050 178.146 176.300 -0.340 0.000 1.070 175 M CA 1.734 56.750 55.300 -0.473 0.000 1.125 175 M CB -1.121 31.088 32.600 -0.650 0.000 1.339 175 M HN 0.257 nan 8.290 nan 0.000 0.409 176 E N -0.379 119.661 120.200 -0.266 0.000 2.208 176 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 176 E C 1.999 178.495 176.600 -0.173 0.000 0.988 176 E CA 0.688 56.971 56.400 -0.195 0.000 0.828 176 E CB 0.068 29.714 29.700 -0.090 0.000 0.763 176 E HN 0.508 nan 8.360 nan 0.000 0.478 177 Q N -0.716 118.989 119.800 -0.158 0.000 2.396 177 Q HA 0.109 4.449 4.340 -0.000 0.000 0.209 177 Q C 1.244 177.160 176.000 -0.141 0.000 0.906 177 Q CA 0.788 56.518 55.803 -0.122 0.000 0.927 177 Q CB 1.189 29.875 28.738 -0.086 0.000 1.069 177 Q HN 0.173 nan 8.270 nan 0.000 0.523 178 T N 0.107 114.548 114.554 -0.188 0.000 3.321 178 T HA 0.094 4.444 4.350 -0.000 0.000 0.251 178 T C 1.593 176.115 174.700 -0.297 0.000 0.999 178 T CA -0.181 61.797 62.100 -0.203 0.000 1.186 178 T CB -0.193 68.576 68.868 -0.165 0.000 1.163 178 T HN -0.017 nan 8.240 nan 0.000 0.399 179 L N 1.750 122.757 121.223 -0.361 0.000 1.976 179 L HA 0.141 4.481 4.340 -0.000 0.000 0.209 179 L C 2.224 178.877 176.870 -0.362 0.000 1.071 179 L CA 1.701 56.287 54.840 -0.423 0.000 0.746 179 L CB -0.724 41.086 42.059 -0.415 0.000 0.890 179 L HN 0.233 nan 8.230 nan 0.000 0.432 180 L N -0.688 120.316 121.223 -0.365 0.000 2.012 180 L HA -0.172 4.167 4.340 -0.000 0.000 0.210 180 L C -0.202 176.413 176.870 -0.425 0.000 1.073 180 L CA 1.331 55.941 54.840 -0.384 0.000 0.748 180 L CB -1.999 39.821 42.059 -0.399 0.000 0.891 180 L HN 0.251 nan 8.230 nan 0.000 0.431 181 P HA -0.136 nan 4.420 nan 0.000 0.216 181 P C 1.573 178.662 177.300 -0.351 0.000 1.150 181 P CA 1.717 64.439 63.100 -0.631 0.000 0.837 181 P CB -0.179 31.281 31.700 -0.399 0.000 0.786 182 G N -0.509 108.137 108.800 -0.257 0.000 2.448 182 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 182 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 182 G C 1.240 176.062 174.900 -0.130 0.000 1.127 182 G CA 0.384 45.382 45.100 -0.170 0.000 0.766 182 G HN 0.257 nan 8.290 nan 0.000 0.552 183 L N 0.154 121.280 121.223 -0.161 0.000 2.591 183 L HA 0.273 4.613 4.340 -0.000 0.000 0.228 183 L C 1.985 178.819 176.870 -0.059 0.000 1.133 183 L CA 0.398 55.193 54.840 -0.074 0.000 0.880 183 L CB 0.113 42.131 42.059 -0.068 0.000 1.033 183 L HN 0.341 nan 8.230 nan 0.000 0.450 184 G N 0.336 109.069 108.800 -0.111 0.000 2.143 184 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.249 184 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.249 184 G C 0.263 175.125 174.900 -0.064 0.000 0.981 184 G CA -0.067 45.014 45.100 -0.030 0.000 0.665 184 G HN 0.311 nan 8.290 nan 0.000 0.528 185 M N 1.271 120.729 119.600 -0.238 0.000 2.289 185 M HA 0.378 4.858 4.480 -0.000 0.000 0.354 185 M C 0.857 176.891 176.300 -0.442 0.000 1.210 185 M CA -0.453 54.698 55.300 -0.248 0.000 1.174 185 M CB 0.518 32.963 32.600 -0.258 0.000 1.297 185 M HN 0.162 nan 8.290 nan 0.000 0.423 186 H N 0.823 119.718 119.070 -0.291 0.000 2.539 186 H HA 0.170 4.726 4.556 -0.000 0.000 0.269 186 H C 0.215 175.051 175.328 -0.821 0.000 0.980 186 H CA 0.644 56.398 56.048 -0.491 0.000 1.152 186 H CB 0.685 30.163 29.762 -0.474 0.000 1.407 186 H HN 0.599 nan 8.280 nan 0.000 0.564 187 H N 0.215 119.121 119.070 -0.273 0.000 2.674 187 H HA 0.259 4.814 4.556 -0.000 0.000 0.235 187 H C -0.289 174.611 175.328 -0.714 0.000 1.330 187 H CA -0.060 55.729 56.048 -0.431 0.000 1.052 187 H CB 0.566 30.273 29.762 -0.091 0.000 1.954 187 H HN -0.011 nan 8.280 nan 0.000 0.566 188 T N 1.365 115.357 114.554 -0.937 0.000 2.841 188 T HA 0.482 4.832 4.350 -0.000 0.000 0.285 188 T C -0.881 173.328 174.700 -0.818 0.000 0.991 188 T CA -0.450 61.251 62.100 -0.665 0.000 0.966 188 T CB 1.213 69.839 68.868 -0.402 0.000 0.962 188 T HN 0.122 nan 8.240 nan 0.000 0.438 189 Y N 0.582 120.795 120.300 -0.144 0.000 2.553 189 Y HA 0.499 5.048 4.550 -0.000 0.000 0.347 189 Y C 0.752 176.570 175.900 -0.136 0.000 1.019 189 Y CA -1.193 56.819 58.100 -0.148 0.000 1.032 189 Y CB 1.180 39.551 38.460 -0.149 0.000 1.284 189 Y HN 0.306 nan 8.280 nan 0.000 0.466 190 V N 0.596 120.551 119.914 0.069 0.000 2.575 190 V HA 0.023 4.143 4.120 -0.000 0.000 0.242 190 V C -0.314 175.797 176.094 0.027 0.000 1.045 190 V CA 0.748 63.071 62.300 0.039 0.000 1.065 190 V CB -0.238 31.616 31.823 0.052 0.000 0.717 190 V HN 0.713 nan 8.190 nan 0.000 0.467 191 N N -0.128 118.586 118.700 0.023 0.000 2.483 191 N HA 0.429 5.169 4.740 -0.000 0.000 0.267 191 N C -0.937 174.492 175.510 -0.135 0.000 0.998 191 N CA -0.269 52.760 53.050 -0.034 0.000 0.918 191 N CB 2.219 40.690 38.487 -0.027 0.000 1.215 191 N HN -0.033 nan 8.380 nan 0.000 0.500 192 V N 4.027 123.813 119.914 -0.213 0.000 2.485 192 V HA 0.141 4.261 4.120 -0.000 0.000 0.287 192 V C -1.373 174.489 176.094 -0.387 0.000 1.022 192 V CA -0.843 61.187 62.300 -0.451 0.000 1.067 192 V CB -0.221 31.369 31.823 -0.388 0.000 0.967 192 V HN 0.610 nan 8.190 nan 0.000 0.479 193 P HA 0.177 nan 4.420 nan 0.000 0.276 193 P C 0.659 177.833 177.300 -0.209 0.000 1.252 193 P CA -0.667 62.245 63.100 -0.313 0.000 0.802 193 P CB 1.266 32.773 31.700 -0.322 0.000 1.035 194 K N 1.134 121.463 120.400 -0.119 0.000 2.059 194 K HA -0.229 4.091 4.320 -0.000 0.000 0.212 194 K C 1.937 178.501 176.600 -0.061 0.000 1.050 194 K CA 1.953 58.199 56.287 -0.070 0.000 0.927 194 K CB -0.244 32.229 32.500 -0.045 0.000 0.714 194 K HN 0.459 nan 8.250 nan 0.000 0.447 195 Q N -0.375 119.388 119.800 -0.062 0.000 2.437 195 Q HA -0.092 4.248 4.340 -0.000 0.000 0.210 195 Q C 1.174 177.159 176.000 -0.026 0.000 0.972 195 Q CA 1.514 57.299 55.803 -0.030 0.000 0.903 195 Q CB 0.099 28.832 28.738 -0.009 0.000 0.967 195 Q HN 0.383 nan 8.270 nan 0.000 0.486 196 A N -0.139 122.635 122.820 -0.078 0.000 2.390 196 A HA 0.251 4.571 4.320 -0.000 0.000 0.232 196 A C 1.838 179.399 177.584 -0.039 0.000 1.233 196 A CA -0.220 51.785 52.037 -0.054 0.000 0.907 196 A CB 0.100 19.020 19.000 -0.135 0.000 0.967 196 A HN 0.127 nan 8.150 nan 0.000 0.512 197 M N 0.052 119.631 119.600 -0.035 0.000 2.149 197 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 197 M C 2.321 178.648 176.300 0.044 0.000 1.064 197 M CA 1.586 56.903 55.300 0.029 0.000 1.102 197 M CB -1.305 31.305 32.600 0.015 0.000 1.369 197 M HN 0.508 nan 8.290 nan 0.000 0.408 198 A N -0.879 121.955 122.820 0.023 0.000 2.070 198 A HA -0.059 4.261 4.320 -0.000 0.000 0.220 198 A C 2.278 179.879 177.584 0.028 0.000 1.159 198 A CA 1.666 53.718 52.037 0.025 0.000 0.656 198 A CB -0.515 18.496 19.000 0.019 0.000 0.800 198 A HN 0.493 nan 8.150 nan 0.000 0.453 199 S N -1.537 114.183 115.700 0.034 0.000 2.575 199 S HA 0.132 4.602 4.470 -0.000 0.000 0.215 199 S C 0.139 174.771 174.600 0.053 0.000 0.966 199 S CA -0.413 57.804 58.200 0.028 0.000 0.911 199 S CB -0.142 63.068 63.200 0.017 0.000 0.780 199 S HN 0.524 nan 8.310 nan 0.000 0.514 200 Y N 4.082 124.315 120.300 -0.112 0.000 2.486 200 Y HA 0.563 5.113 4.550 -0.000 0.000 0.348 200 Y C 0.469 176.232 175.900 -0.228 0.000 1.000 200 Y CA -2.003 55.998 58.100 -0.166 0.000 1.253 200 Y CB -0.735 37.618 38.460 -0.179 0.000 1.140 200 Y HN 0.163 nan 8.280 nan 0.000 0.526 201 A N 6.090 128.936 122.820 0.043 0.000 2.366 201 A HA 0.289 4.608 4.320 -0.000 0.000 0.250 201 A C -1.267 176.222 177.584 -0.157 0.000 1.099 201 A CA -0.090 51.900 52.037 -0.080 0.000 0.794 201 A CB 0.047 18.912 19.000 -0.225 0.000 1.056 201 A HN 0.744 nan 8.150 nan 0.000 0.499 202 Y N -0.672 119.603 120.300 -0.041 0.000 2.361 202 Y HA 0.496 5.046 4.550 -0.000 0.000 0.332 202 Y C 1.117 176.732 175.900 -0.475 0.000 1.101 202 Y CA 0.416 58.378 58.100 -0.229 0.000 1.137 202 Y CB 1.671 39.933 38.460 -0.330 0.000 1.207 202 Y HN 0.830 nan 8.280 nan 0.000 0.463 203 G N 1.268 109.795 108.800 -0.456 0.000 2.477 203 G HA2 0.429 4.389 3.960 -0.000 0.000 0.304 203 G HA3 0.429 4.389 3.960 -0.000 0.000 0.304 203 G C -2.010 172.397 174.900 -0.821 0.000 1.175 203 G CA -0.312 44.220 45.100 -0.947 0.000 0.907 203 G HN 0.501 nan 8.290 nan 0.000 0.509 204 Y N 0.164 120.346 120.300 -0.197 0.000 2.346 204 Y HA 0.404 4.953 4.550 -0.000 0.000 0.332 204 Y C 0.848 176.732 175.900 -0.028 0.000 0.985 204 Y CA -0.785 57.273 58.100 -0.069 0.000 1.112 204 Y CB 2.039 40.467 38.460 -0.053 0.000 1.170 204 Y HN 0.763 nan 8.280 nan 0.000 0.447 205 S N 1.299 117.054 115.700 0.092 0.000 2.626 205 S HA 0.348 4.818 4.470 -0.000 0.000 0.257 205 S C 1.517 176.176 174.600 0.098 0.000 1.288 205 S CA -0.064 58.183 58.200 0.078 0.000 0.980 205 S CB 0.766 63.999 63.200 0.054 0.000 0.975 205 S HN 0.817 nan 8.310 nan 0.000 0.577 206 K N -0.006 120.439 120.400 0.076 0.000 2.147 206 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 206 K C 1.595 178.233 176.600 0.063 0.000 1.049 206 K CA 1.954 58.284 56.287 0.071 0.000 0.936 206 K CB -1.319 31.217 32.500 0.059 0.000 0.722 206 K HN 0.783 nan 8.250 nan 0.000 0.446 207 E N 0.746 120.982 120.200 0.059 0.000 2.494 207 E HA 0.071 4.421 4.350 -0.000 0.000 0.193 207 E C -0.403 176.235 176.600 0.063 0.000 1.074 207 E CA 0.311 56.741 56.400 0.049 0.000 0.867 207 E CB 0.197 29.920 29.700 0.039 0.000 0.924 207 E HN 0.510 nan 8.360 nan 0.000 0.502 208 D N 0.185 120.643 120.400 0.097 0.000 2.907 208 D HA -0.183 4.456 4.640 -0.000 0.000 0.226 208 D C -0.583 175.848 176.300 0.218 0.000 1.141 208 D CA 0.780 54.868 54.000 0.147 0.000 0.779 208 D CB -1.108 39.723 40.800 0.052 0.000 1.095 208 D HN 0.309 nan 8.370 nan 0.000 0.430 209 K N 1.106 121.599 120.400 0.154 0.000 2.201 209 K HA 0.328 4.648 4.320 -0.000 0.000 0.278 209 K C -2.251 174.347 176.600 -0.004 0.000 1.027 209 K CA -1.467 54.871 56.287 0.086 0.000 0.909 209 K CB 1.491 34.011 32.500 0.032 0.000 1.062 209 K HN -0.069 nan 8.250 nan 0.000 0.465 210 P HA 0.074 nan 4.420 nan 0.000 0.271 210 P C -0.635 176.539 177.300 -0.210 0.000 1.233 210 P CA 0.163 63.001 63.100 -0.436 0.000 0.764 210 P CB 0.201 31.636 31.700 -0.442 0.000 0.825 211 I N 0.223 120.684 120.570 -0.182 0.000 3.095 211 I HA 0.697 4.867 4.170 -0.000 0.000 0.310 211 I C -0.760 175.405 176.117 0.080 0.000 1.196 211 I CA -1.689 59.604 61.300 -0.013 0.000 0.985 211 I CB 2.848 40.850 38.000 0.003 0.000 1.250 211 I HN 0.155 nan 8.210 nan 0.000 0.446 212 R N 1.172 121.740 120.500 0.114 0.000 2.836 212 R HA 0.570 4.910 4.340 -0.000 0.000 0.269 212 R C -1.212 175.188 176.300 0.166 0.000 1.010 212 R CA -1.071 55.128 56.100 0.165 0.000 0.930 212 R CB 2.647 32.959 30.300 0.019 0.000 1.218 212 R HN 0.549 nan 8.270 nan 0.000 0.473 213 V N 2.674 122.705 119.914 0.195 0.000 2.720 213 V HA -0.062 4.058 4.120 -0.000 0.000 0.307 213 V C -0.329 175.857 176.094 0.152 0.000 1.071 213 V CA 0.514 62.923 62.300 0.182 0.000 1.199 213 V CB 0.188 32.133 31.823 0.205 0.000 0.900 213 V HN 0.607 nan 8.190 nan 0.000 0.494 214 N N 6.249 125.036 118.700 0.145 0.000 2.524 214 N HA 0.424 5.164 4.740 -0.000 0.000 0.283 214 N C -2.406 173.187 175.510 0.139 0.000 1.142 214 N CA -0.954 52.167 53.050 0.117 0.000 0.984 214 N CB 0.908 39.449 38.487 0.091 0.000 1.155 214 N HN 0.552 nan 8.380 nan 0.000 0.467 215 P HA 0.264 nan 4.420 nan 0.000 0.268 215 P C -0.241 177.113 177.300 0.090 0.000 1.205 215 P CA -0.102 63.044 63.100 0.076 0.000 0.771 215 P CB 0.573 32.297 31.700 0.041 0.000 0.858 216 G N 1.511 110.358 108.800 0.080 0.000 2.673 216 G HA2 0.469 4.429 3.960 -0.000 0.000 0.292 216 G HA3 0.469 4.429 3.960 -0.000 0.000 0.292 216 G C -1.216 173.699 174.900 0.025 0.000 1.450 216 G CA -0.730 44.428 45.100 0.097 0.000 0.837 216 G HN 0.216 nan 8.290 nan 0.000 0.505 217 M N 1.862 121.451 119.600 -0.018 0.000 2.238 217 M HA 0.231 4.711 4.480 -0.000 0.000 0.350 217 M C 1.231 177.571 176.300 0.067 0.000 1.321 217 M CA 0.127 55.364 55.300 -0.105 0.000 1.097 217 M CB -0.061 32.275 32.600 -0.440 0.000 1.713 217 M HN 0.701 nan 8.290 nan 0.000 0.455 218 L N 1.334 122.539 121.223 -0.030 0.000 4.232 218 L HA -0.334 4.006 4.340 -0.000 0.000 0.415 218 L C 1.452 178.198 176.870 -0.207 0.000 1.168 218 L CA 0.417 55.224 54.840 -0.055 0.000 0.966 218 L CB -2.035 40.093 42.059 0.116 0.000 2.052 218 L HN 0.871 nan 8.230 nan 0.000 0.887 219 A N -0.426 122.217 122.820 -0.296 0.000 1.933 219 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 219 A C 1.778 179.018 177.584 -0.573 0.000 1.175 219 A CA 1.976 53.560 52.037 -0.755 0.000 0.628 219 A CB -0.189 18.547 19.000 -0.440 0.000 0.814 219 A HN 0.544 nan 8.150 nan 0.000 0.444 220 D N -0.033 120.210 120.400 -0.262 0.000 2.104 220 D HA -0.148 4.491 4.640 -0.000 0.000 0.194 220 D C 1.865 178.084 176.300 -0.135 0.000 0.994 220 D CA 1.786 55.732 54.000 -0.089 0.000 0.830 220 D CB -0.369 40.483 40.800 0.086 0.000 0.959 220 D HN 0.588 nan 8.370 nan 0.000 0.452 221 E N 0.190 120.116 120.200 -0.456 0.000 2.112 221 E HA 0.056 4.406 4.350 -0.000 0.000 0.190 221 E C 1.917 178.400 176.600 -0.196 0.000 0.979 221 E CA 1.043 57.086 56.400 -0.595 0.000 0.814 221 E CB -0.069 29.201 29.700 -0.717 0.000 0.762 221 E HN 0.245 nan 8.360 nan 0.000 0.460 222 A N -0.106 122.595 122.820 -0.198 0.000 1.956 222 A HA 0.025 4.344 4.320 -0.000 0.000 0.212 222 A C 0.877 178.532 177.584 0.117 0.000 1.188 222 A CA 0.951 52.981 52.037 -0.012 0.000 0.675 222 A CB -0.086 18.956 19.000 0.071 0.000 0.845 222 A HN 0.447 nan 8.150 nan 0.000 0.455 223 Y N -4.406 115.930 120.300 0.060 0.000 3.075 223 Y HA 0.461 5.011 4.550 -0.000 0.000 0.270 223 Y C 0.831 176.761 175.900 0.050 0.000 1.071 223 Y CA -0.534 57.603 58.100 0.062 0.000 1.269 223 Y CB -0.479 38.025 38.460 0.074 0.000 1.291 223 Y HN -0.007 nan 8.280 nan 0.000 0.613 224 G N 1.218 109.989 108.800 -0.048 0.000 3.189 224 G HA2 0.234 4.193 3.960 -0.000 0.000 0.225 224 G HA3 0.234 4.193 3.960 -0.000 0.000 0.225 224 G C 0.307 175.219 174.900 0.019 0.000 1.159 224 G CA -0.043 45.058 45.100 0.003 0.000 0.763 224 G HN 0.194 nan 8.290 nan 0.000 0.549 225 I N 0.838 121.421 120.570 0.021 0.000 2.588 225 I HA 0.254 4.424 4.170 -0.000 0.000 0.283 225 I C -0.269 175.816 176.117 -0.053 0.000 1.119 225 I CA -0.123 61.165 61.300 -0.020 0.000 1.419 225 I CB 1.310 39.287 38.000 -0.038 0.000 1.394 225 I HN -0.110 nan 8.210 nan 0.000 0.562 226 K N 3.320 123.666 120.400 -0.091 0.000 2.323 226 K HA 0.624 4.944 4.320 -0.000 0.000 0.259 226 K C -0.279 176.271 176.600 -0.084 0.000 0.947 226 K CA -0.441 55.758 56.287 -0.147 0.000 0.819 226 K CB 1.883 34.181 32.500 -0.337 0.000 1.109 226 K HN 0.692 nan 8.250 nan 0.000 0.429 227 T N -0.092 114.452 114.554 -0.018 0.000 2.762 227 T HA 0.578 4.928 4.350 -0.000 0.000 0.301 227 T C -1.212 173.566 174.700 0.130 0.000 1.299 227 T CA -0.648 61.456 62.100 0.007 0.000 1.005 227 T CB 0.787 69.640 68.868 -0.025 0.000 1.377 227 T HN 0.566 nan 8.240 nan 0.000 0.504 228 S N 0.307 116.079 115.700 0.119 0.000 2.718 228 S HA 0.490 4.960 4.470 -0.000 0.000 0.300 228 S C 1.588 176.284 174.600 0.160 0.000 1.117 228 S CA 0.169 58.480 58.200 0.184 0.000 1.002 228 S CB 1.298 64.557 63.200 0.099 0.000 1.092 228 S HN 1.021 nan 8.310 nan 0.000 0.542 229 S N 0.617 116.419 115.700 0.170 0.000 2.402 229 S HA -0.036 4.433 4.470 -0.000 0.000 0.229 229 S C 1.934 176.646 174.600 0.188 0.000 1.021 229 S CA 0.652 58.953 58.200 0.168 0.000 0.974 229 S CB -1.143 62.171 63.200 0.190 0.000 0.800 229 S HN 1.081 nan 8.310 nan 0.000 0.484 230 A N 2.091 124.967 122.820 0.093 0.000 1.873 230 A HA -0.061 4.258 4.320 -0.000 0.000 0.215 230 A C 1.984 179.649 177.584 0.136 0.000 1.186 230 A CA 1.668 53.772 52.037 0.112 0.000 0.616 230 A CB -0.955 17.979 19.000 -0.111 0.000 0.823 230 A HN 0.467 nan 8.150 nan 0.000 0.442 231 D N -0.763 119.694 120.400 0.094 0.000 2.117 231 D HA -0.083 4.557 4.640 -0.000 0.000 0.198 231 D C 1.752 178.112 176.300 0.100 0.000 0.982 231 D CA 0.772 54.816 54.000 0.074 0.000 0.828 231 D CB -0.193 40.618 40.800 0.019 0.000 0.967 231 D HN 0.261 nan 8.370 nan 0.000 0.464 232 L N 0.161 121.460 121.223 0.127 0.000 2.141 232 L HA -0.013 4.327 4.340 -0.000 0.000 0.209 232 L C 1.883 178.875 176.870 0.204 0.000 1.094 232 L CA 1.028 55.980 54.840 0.187 0.000 0.763 232 L CB -0.397 41.770 42.059 0.180 0.000 0.908 232 L HN 0.042 nan 8.230 nan 0.000 0.437 233 L N -0.899 120.425 121.223 0.167 0.000 2.217 233 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 233 L C 2.564 179.479 176.870 0.075 0.000 1.107 233 L CA 1.345 56.256 54.840 0.119 0.000 0.783 233 L CB -0.464 41.687 42.059 0.152 0.000 0.919 233 L HN 0.183 nan 8.230 nan 0.000 0.442 234 R N -1.843 118.723 120.500 0.111 0.000 2.115 234 R HA -0.162 4.178 4.340 -0.000 0.000 0.230 234 R C 2.122 178.484 176.300 0.104 0.000 1.111 234 R CA 1.399 57.549 56.100 0.083 0.000 0.976 234 R CB -0.498 29.855 30.300 0.087 0.000 0.870 234 R HN 0.299 nan 8.270 nan 0.000 0.445 235 F N 1.190 121.115 119.950 -0.042 0.000 2.146 235 F HA -0.120 4.406 4.527 -0.000 0.000 0.298 235 F C 1.991 177.704 175.800 -0.146 0.000 1.096 235 F CA 0.866 58.837 58.000 -0.049 0.000 1.275 235 F CB -0.377 38.634 39.000 0.018 0.000 1.008 235 F HN -0.306 nan 8.300 nan 0.000 0.480 236 V N 0.617 120.385 119.914 -0.243 0.000 2.343 236 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 236 V C 2.540 178.298 176.094 -0.559 0.000 1.051 236 V CA 2.247 64.154 62.300 -0.656 0.000 1.036 236 V CB -0.743 30.836 31.823 -0.407 0.000 0.654 236 V HN 0.269 nan 8.190 nan 0.000 0.451 237 K N 0.151 120.393 120.400 -0.264 0.000 2.057 237 K HA -0.171 4.148 4.320 -0.000 0.000 0.207 237 K C 2.165 178.655 176.600 -0.184 0.000 1.049 237 K CA 1.505 57.683 56.287 -0.182 0.000 0.931 237 K CB -0.327 32.123 32.500 -0.083 0.000 0.714 237 K HN 0.444 nan 8.250 nan 0.000 0.440 238 A N 1.216 123.939 122.820 -0.162 0.000 1.972 238 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 238 A C 1.658 179.119 177.584 -0.206 0.000 1.169 238 A CA 1.435 53.400 52.037 -0.119 0.000 0.635 238 A CB -0.433 18.562 19.000 -0.007 0.000 0.810 238 A HN 0.387 nan 8.150 nan 0.000 0.446 239 N N -0.825 117.633 118.700 -0.403 0.000 2.467 239 N HA 0.099 4.838 4.740 -0.000 0.000 0.184 239 N C 1.139 176.520 175.510 -0.216 0.000 1.106 239 N CA 0.819 53.625 53.050 -0.407 0.000 0.892 239 N CB 0.111 38.061 38.487 -0.895 0.000 0.969 239 N HN 0.568 nan 8.380 nan 0.000 0.454 240 I N -1.369 119.068 120.570 -0.222 0.000 3.632 240 I HA 0.103 4.273 4.170 -0.000 0.000 0.246 240 I C 2.239 178.319 176.117 -0.062 0.000 1.125 240 I CA 0.244 61.484 61.300 -0.100 0.000 1.519 240 I CB -0.386 37.545 38.000 -0.116 0.000 1.555 240 I HN -0.105 nan 8.210 nan 0.000 0.452 241 G N 0.553 109.308 108.800 -0.076 0.000 2.511 241 G HA2 0.344 4.304 3.960 -0.000 0.000 0.217 241 G HA3 0.344 4.304 3.960 -0.000 0.000 0.217 241 G C 0.858 175.733 174.900 -0.042 0.000 1.133 241 G CA 0.786 45.857 45.100 -0.048 0.000 0.792 241 G HN 0.678 nan 8.290 nan 0.000 0.539 242 G N -1.623 107.142 108.800 -0.057 0.000 2.655 242 G HA2 0.256 4.216 3.960 -0.000 0.000 0.680 242 G HA3 0.256 4.216 3.960 -0.000 0.000 0.680 242 G C -0.362 174.519 174.900 -0.031 0.000 1.302 242 G CA -0.036 45.037 45.100 -0.045 0.000 0.872 242 G HN 1.445 nan 8.290 nan 0.000 0.540 243 V N -3.265 116.637 119.914 -0.020 0.000 3.126 243 V HA 0.854 4.974 4.120 -0.000 0.000 0.314 243 V C 1.080 177.171 176.094 -0.004 0.000 1.138 243 V CA 0.652 62.946 62.300 -0.010 0.000 1.034 243 V CB 1.847 33.666 31.823 -0.006 0.000 1.075 243 V HN 1.037 nan 8.190 nan 0.000 0.442 244 D N 0.263 120.662 120.400 -0.001 0.000 2.149 244 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 244 D C 0.845 177.149 176.300 0.008 0.000 0.972 244 D CA 1.211 55.212 54.000 0.002 0.000 0.835 244 D CB 0.095 40.897 40.800 0.003 0.000 0.966 244 D HN 0.830 nan 8.370 nan 0.000 0.476 245 D N -0.696 119.711 120.400 0.012 0.000 2.371 245 D HA 0.040 4.680 4.640 -0.000 0.000 0.256 245 D C 1.204 177.524 176.300 0.034 0.000 1.193 245 D CA 0.275 54.291 54.000 0.027 0.000 0.881 245 D CB 1.358 42.179 40.800 0.036 0.000 1.143 245 D HN 0.201 nan 8.370 nan 0.000 0.473 246 K N 3.605 124.023 120.400 0.030 0.000 2.063 246 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 246 K C 2.012 178.635 176.600 0.038 0.000 1.048 246 K CA 1.709 58.011 56.287 0.025 0.000 0.928 246 K CB -0.878 31.631 32.500 0.015 0.000 0.713 246 K HN 0.623 nan 8.250 nan 0.000 0.442 247 A N 0.671 123.527 122.820 0.061 0.000 1.877 247 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 247 A C 2.414 180.092 177.584 0.157 0.000 1.186 247 A CA 1.590 53.674 52.037 0.078 0.000 0.620 247 A CB -0.459 18.585 19.000 0.073 0.000 0.822 247 A HN 0.535 nan 8.150 nan 0.000 0.443 248 L N -0.926 120.417 121.223 0.199 0.000 2.131 248 L HA -0.222 4.117 4.340 -0.000 0.000 0.210 248 L C 2.715 179.632 176.870 0.078 0.000 1.092 248 L CA 2.151 57.089 54.840 0.163 0.000 0.759 248 L CB -0.241 41.845 42.059 0.046 0.000 0.903 248 L HN 0.543 nan 8.230 nan 0.000 0.435 249 Q N -0.055 119.771 119.800 0.043 0.000 2.084 249 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 249 Q C 2.243 178.237 176.000 -0.011 0.000 0.978 249 Q CA 2.737 58.541 55.803 0.002 0.000 0.844 249 Q CB -0.399 28.337 28.738 -0.003 0.000 0.898 249 Q HN 0.610 nan 8.270 nan 0.000 0.426 250 Q N -0.214 119.594 119.800 0.013 0.000 2.124 250 Q HA 0.032 4.372 4.340 -0.000 0.000 0.202 250 Q C 2.231 178.238 176.000 0.012 0.000 0.977 250 Q CA 2.004 57.810 55.803 0.005 0.000 0.850 250 Q CB -1.216 27.529 28.738 0.011 0.000 0.901 250 Q HN 0.647 nan 8.270 nan 0.000 0.429 251 A N 0.554 123.409 122.820 0.057 0.000 1.902 251 A HA -0.040 4.279 4.320 -0.000 0.000 0.217 251 A C 2.373 179.981 177.584 0.039 0.000 1.181 251 A CA 1.482 53.572 52.037 0.089 0.000 0.623 251 A CB -0.412 18.703 19.000 0.193 0.000 0.818 251 A HN 0.643 nan 8.150 nan 0.000 0.443 252 I N -0.126 120.437 120.570 -0.010 0.000 2.163 252 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 252 I C 2.676 178.569 176.117 -0.374 0.000 1.085 252 I CA 1.600 62.825 61.300 -0.124 0.000 1.347 252 I CB -0.350 37.563 38.000 -0.145 0.000 1.044 252 I HN 0.241 nan 8.210 nan 0.000 0.408 253 S N 0.825 116.345 115.700 -0.300 0.000 2.383 253 S HA -0.129 4.340 4.470 -0.000 0.000 0.229 253 S C 1.983 176.495 174.600 -0.147 0.000 1.030 253 S CA 1.184 59.197 58.200 -0.311 0.000 1.002 253 S CB -0.354 62.774 63.200 -0.120 0.000 0.829 253 S HN 0.353 nan 8.310 nan 0.000 0.467 254 L N 1.389 122.586 121.223 -0.043 0.000 2.131 254 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 254 L C 2.718 179.654 176.870 0.111 0.000 1.092 254 L CA 1.503 56.376 54.840 0.055 0.000 0.759 254 L CB -1.061 41.047 42.059 0.081 0.000 0.903 254 L HN 0.482 nan 8.230 nan 0.000 0.435 255 T N -5.195 109.411 114.554 0.087 0.000 3.160 255 T HA -0.114 4.235 4.350 -0.000 0.000 0.257 255 T C 1.311 176.219 174.700 0.347 0.000 1.147 255 T CA 0.652 62.886 62.100 0.223 0.000 1.064 255 T CB -0.450 68.614 68.868 0.327 0.000 0.949 255 T HN 0.486 nan 8.240 nan 0.000 0.526 256 H N -0.088 119.022 119.070 0.066 0.000 2.592 256 H HA 0.225 4.780 4.556 -0.000 0.000 0.265 256 H C 0.435 175.902 175.328 0.231 0.000 0.955 256 H CA -0.572 55.495 56.048 0.033 0.000 1.175 256 H CB 0.407 30.087 29.762 -0.137 0.000 1.433 256 H HN 0.311 nan 8.280 nan 0.000 0.537 257 Q N 1.348 121.324 119.800 0.294 0.000 2.313 257 Q HA 0.149 4.489 4.340 -0.000 0.000 0.266 257 Q C 0.476 176.629 176.000 0.256 0.000 0.989 257 Q CA -0.184 55.753 55.803 0.224 0.000 0.890 257 Q CB 1.138 29.965 28.738 0.148 0.000 1.200 257 Q HN 0.349 nan 8.270 nan 0.000 0.396 258 G N 1.767 110.663 108.800 0.160 0.000 2.370 258 G HA2 0.189 4.149 3.960 -0.000 0.000 0.272 258 G HA3 0.189 4.149 3.960 -0.000 0.000 0.272 258 G C 0.225 175.195 174.900 0.117 0.000 1.208 258 G CA -0.295 44.876 45.100 0.117 0.000 0.856 258 G HN 0.722 nan 8.290 nan 0.000 0.500 259 H N 1.471 120.487 119.070 -0.090 0.000 2.439 259 H HA 0.119 4.675 4.556 -0.000 0.000 0.299 259 H C 0.121 175.494 175.328 0.074 0.000 1.033 259 H CA 1.106 57.142 56.048 -0.021 0.000 1.348 259 H CB 0.880 30.626 29.762 -0.026 0.000 1.449 259 H HN 0.710 nan 8.280 nan 0.000 0.544 260 Y N -1.025 119.345 120.300 0.118 0.000 2.779 260 Y HA 0.428 4.977 4.550 -0.000 0.000 0.340 260 Y C -1.214 174.696 175.900 0.016 0.000 1.252 260 Y CA -1.449 56.678 58.100 0.046 0.000 1.072 260 Y CB 0.912 39.396 38.460 0.041 0.000 1.343 260 Y HN -0.055 nan 8.280 nan 0.000 0.450 261 S N 0.069 115.929 115.700 0.267 0.000 2.634 261 S HA 0.900 5.370 4.470 -0.000 0.000 0.296 261 S C -1.836 172.889 174.600 0.209 0.000 1.104 261 S CA -0.750 57.522 58.200 0.121 0.000 0.920 261 S CB 1.878 65.091 63.200 0.022 0.000 1.111 261 S HN 1.034 nan 8.310 nan 0.000 0.493 262 V N 1.908 121.887 119.914 0.107 0.000 2.498 262 V HA 0.690 4.810 4.120 -0.000 0.000 0.283 262 V C 0.951 177.074 176.094 0.047 0.000 1.015 262 V CA 0.417 62.774 62.300 0.094 0.000 0.867 262 V CB 0.235 32.134 31.823 0.127 0.000 1.025 262 V HN 1.714 nan 8.190 nan 0.000 0.441 263 G N 4.676 113.498 108.800 0.037 0.000 2.550 263 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.277 263 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.277 263 G C 0.941 175.857 174.900 0.026 0.000 1.190 263 G CA 0.380 45.501 45.100 0.035 0.000 0.971 263 G HN 1.527 nan 8.290 nan 0.000 0.559 264 G N -0.221 108.612 108.800 0.055 0.000 3.088 264 G HA2 0.394 4.353 3.960 -0.000 0.000 0.212 264 G HA3 0.394 4.353 3.960 -0.000 0.000 0.212 264 G C 0.749 175.620 174.900 -0.048 0.000 1.173 264 G CA 1.129 46.266 45.100 0.061 0.000 0.779 264 G HN 0.685 nan 8.290 nan 0.000 0.540 265 M N 1.825 121.334 119.600 -0.151 0.000 2.238 265 M HA 0.423 4.903 4.480 -0.000 0.000 0.350 265 M C -1.136 174.960 176.300 -0.340 0.000 1.138 265 M CA 0.033 55.018 55.300 -0.525 0.000 1.040 265 M CB 1.393 33.809 32.600 -0.307 0.000 1.639 265 M HN -0.155 nan 8.290 nan 0.000 0.451 266 T N 4.319 118.620 114.554 -0.423 0.000 2.779 266 T HA 0.319 4.669 4.350 -0.000 0.000 0.280 266 T C -0.559 173.975 174.700 -0.277 0.000 0.987 266 T CA -0.359 61.577 62.100 -0.274 0.000 0.966 266 T CB 1.155 69.898 68.868 -0.208 0.000 0.933 266 T HN 0.624 nan 8.240 nan 0.000 0.442 267 Q N 2.188 121.752 119.800 -0.393 0.000 2.279 267 Q HA 0.613 4.953 4.340 -0.000 0.000 0.256 267 Q C 0.196 175.990 176.000 -0.343 0.000 0.937 267 Q CA -0.141 55.405 55.803 -0.428 0.000 0.933 267 Q CB 0.671 28.927 28.738 -0.804 0.000 1.189 267 Q HN 0.856 nan 8.270 nan 0.000 0.417 268 G N 2.617 111.318 108.800 -0.165 0.000 3.217 268 G HA2 0.489 4.449 3.960 -0.000 0.000 0.213 268 G HA3 0.489 4.449 3.960 -0.000 0.000 0.213 268 G C -1.098 173.648 174.900 -0.258 0.000 1.294 268 G CA -0.954 44.081 45.100 -0.109 0.000 0.987 268 G HN 0.587 nan 8.290 nan 0.000 0.584 269 L N 1.556 122.679 121.223 -0.167 0.000 2.363 269 L HA 0.405 4.745 4.340 -0.000 0.000 0.286 269 L C 1.509 178.327 176.870 -0.088 0.000 1.106 269 L CA 0.778 55.490 54.840 -0.213 0.000 0.859 269 L CB 0.195 42.193 42.059 -0.101 0.000 1.223 269 L HN 1.105 nan 8.230 nan 0.000 0.446 270 G N 2.515 111.220 108.800 -0.158 0.000 4.655 270 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.220 270 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.220 270 G C -0.053 174.773 174.900 -0.125 0.000 1.403 270 G CA -0.169 44.831 45.100 -0.167 0.000 0.931 270 G HN 0.528 nan 8.290 nan 0.000 0.654 271 W N 2.409 123.777 121.300 0.113 0.000 2.170 271 W HA 0.591 5.251 4.660 -0.000 0.000 0.336 271 W C 0.712 177.297 176.519 0.110 0.000 1.283 271 W CA -0.244 57.192 57.345 0.152 0.000 1.224 271 W CB 0.480 30.060 29.460 0.201 0.000 1.132 271 W HN 0.306 nan 8.180 nan 0.000 0.571 272 E N 1.482 121.918 120.200 0.394 0.000 2.187 272 E HA 0.375 4.725 4.350 -0.000 0.000 0.268 272 E C -0.497 176.142 176.600 0.064 0.000 0.896 272 E CA -0.646 55.840 56.400 0.143 0.000 0.766 272 E CB 1.613 31.389 29.700 0.126 0.000 1.142 272 E HN 0.355 nan 8.360 nan 0.000 0.408 273 S N 1.974 117.538 115.700 -0.228 0.000 2.638 273 S HA 0.689 5.158 4.470 -0.000 0.000 0.302 273 S C -1.097 173.093 174.600 -0.684 0.000 1.096 273 S CA -0.709 57.230 58.200 -0.434 0.000 0.953 273 S CB 0.942 63.754 63.200 -0.648 0.000 1.107 273 S HN 0.406 nan 8.310 nan 0.000 0.503 274 Y N -0.558 119.567 120.300 -0.291 0.000 2.562 274 Y HA 0.692 5.242 4.550 -0.000 0.000 0.345 274 Y C 0.315 176.114 175.900 -0.169 0.000 1.045 274 Y CA -0.998 57.002 58.100 -0.166 0.000 1.028 274 Y CB 1.701 40.109 38.460 -0.087 0.000 1.297 274 Y HN 1.053 nan 8.280 nan 0.000 0.463 275 A N 1.616 124.465 122.820 0.048 0.000 2.477 275 A HA 0.305 4.625 4.320 -0.000 0.000 0.246 275 A C -1.453 176.173 177.584 0.070 0.000 1.078 275 A CA 0.041 52.087 52.037 0.016 0.000 0.770 275 A CB -0.289 18.713 19.000 0.004 0.000 1.011 275 A HN 0.659 nan 8.150 nan 0.000 0.494 276 Y N 3.473 123.732 120.300 -0.068 0.000 2.360 276 Y HA 0.561 5.111 4.550 -0.000 0.000 0.337 276 Y C -2.328 173.549 175.900 -0.039 0.000 1.039 276 Y CA -2.293 55.773 58.100 -0.058 0.000 1.109 276 Y CB 1.388 39.795 38.460 -0.088 0.000 1.201 276 Y HN 0.524 nan 8.280 nan 0.000 0.458 277 P HA 0.178 nan 4.420 nan 0.000 0.271 277 P C -1.478 175.619 177.300 -0.338 0.000 1.218 277 P CA -0.225 62.272 63.100 -1.004 0.000 0.780 277 P CB 1.127 32.385 31.700 -0.736 0.000 0.901 278 V N 2.573 122.381 119.914 -0.176 0.000 2.555 278 V HA 0.480 4.600 4.120 -0.000 0.000 0.302 278 V C -0.028 176.072 176.094 0.009 0.000 1.038 278 V CA -0.407 61.871 62.300 -0.037 0.000 0.887 278 V CB 1.770 33.588 31.823 -0.007 0.000 0.991 278 V HN 0.782 nan 8.190 nan 0.000 0.434 279 T N 1.679 116.203 114.554 -0.049 0.000 2.899 279 T HA 0.234 4.584 4.350 -0.000 0.000 0.295 279 T C 1.009 175.548 174.700 -0.267 0.000 1.033 279 T CA 0.472 62.510 62.100 -0.104 0.000 1.084 279 T CB 1.100 69.910 68.868 -0.097 0.000 0.979 279 T HN 0.885 nan 8.240 nan 0.000 0.532 280 E N 0.518 120.398 120.200 -0.534 0.000 2.110 280 E HA -0.275 4.075 4.350 -0.000 0.000 0.193 280 E C 2.057 178.483 176.600 -0.290 0.000 0.988 280 E CA 1.234 57.278 56.400 -0.594 0.000 0.804 280 E CB -0.091 29.239 29.700 -0.618 0.000 0.745 280 E HN 0.857 nan 8.360 nan 0.000 0.458 281 Q N -0.156 119.520 119.800 -0.206 0.000 2.061 281 Q HA -0.157 4.182 4.340 -0.000 0.000 0.204 281 Q C 1.950 177.889 176.000 -0.103 0.000 0.984 281 Q CA 2.225 57.952 55.803 -0.126 0.000 0.846 281 Q CB -0.060 28.625 28.738 -0.089 0.000 0.902 281 Q HN 0.243 nan 8.270 nan 0.000 0.421 282 T N 1.501 115.993 114.554 -0.103 0.000 2.777 282 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 282 T C 1.808 176.430 174.700 -0.129 0.000 1.040 282 T CA 0.990 63.057 62.100 -0.056 0.000 1.141 282 T CB -0.156 68.702 68.868 -0.017 0.000 0.868 282 T HN 0.243 nan 8.240 nan 0.000 0.444 283 L N 0.352 121.401 121.223 -0.290 0.000 2.046 283 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 283 L C 2.423 179.170 176.870 -0.205 0.000 1.077 283 L CA 1.183 55.764 54.840 -0.431 0.000 0.747 283 L CB -0.418 41.429 42.059 -0.352 0.000 0.896 283 L HN 0.292 nan 8.230 nan 0.000 0.432 284 L N -0.819 120.313 121.223 -0.153 0.000 2.083 284 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 284 L C 2.807 179.650 176.870 -0.045 0.000 1.083 284 L CA 1.109 55.888 54.840 -0.101 0.000 0.752 284 L CB -0.649 41.350 42.059 -0.100 0.000 0.899 284 L HN 0.242 nan 8.230 nan 0.000 0.433 285 A N 0.242 123.048 122.820 -0.022 0.000 1.873 285 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 285 A C 2.365 179.991 177.584 0.070 0.000 1.186 285 A CA 1.649 53.699 52.037 0.022 0.000 0.616 285 A CB -1.222 17.797 19.000 0.031 0.000 0.823 285 A HN 0.430 nan 8.150 nan 0.000 0.442 286 G N -0.884 108.004 108.800 0.146 0.000 2.509 286 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.218 286 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.218 286 G C 0.986 175.987 174.900 0.169 0.000 1.124 286 G CA 0.757 46.004 45.100 0.245 0.000 0.776 286 G HN 0.534 nan 8.290 nan 0.000 0.547 287 N N 0.371 119.126 118.700 0.093 0.000 2.275 287 N HA 0.086 4.826 4.740 -0.000 0.000 0.236 287 N C 0.507 176.012 175.510 -0.008 0.000 1.154 287 N CA 0.089 53.161 53.050 0.037 0.000 0.866 287 N CB 0.922 39.416 38.487 0.012 0.000 1.093 287 N HN 0.358 nan 8.380 nan 0.000 0.515 288 S N -0.570 115.133 115.700 0.006 0.000 2.645 288 S HA 0.500 4.970 4.470 -0.000 0.000 0.266 288 S C 1.543 176.143 174.600 0.000 0.000 1.258 288 S CA -0.346 57.851 58.200 -0.004 0.000 0.990 288 S CB 1.837 65.039 63.200 0.004 0.000 0.967 288 S HN 0.131 nan 8.310 nan 0.000 0.556 289 A N 0.957 123.777 122.820 0.001 0.000 1.972 289 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 289 A C 2.147 179.747 177.584 0.026 0.000 1.169 289 A CA 1.769 53.813 52.037 0.011 0.000 0.635 289 A CB -0.896 18.110 19.000 0.010 0.000 0.810 289 A HN 0.941 nan 8.150 nan 0.000 0.446 290 K N -0.384 120.031 120.400 0.026 0.000 2.057 290 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 290 K C 1.694 178.321 176.600 0.045 0.000 1.049 290 K CA 1.668 57.976 56.287 0.035 0.000 0.931 290 K CB -0.179 32.340 32.500 0.031 0.000 0.714 290 K HN 0.260 nan 8.250 nan 0.000 0.440 291 V N 1.091 121.031 119.914 0.043 0.000 2.488 291 V HA -0.157 3.963 4.120 -0.000 0.000 0.246 291 V C 2.117 178.242 176.094 0.052 0.000 1.046 291 V CA 1.264 63.596 62.300 0.053 0.000 1.053 291 V CB -0.184 31.673 31.823 0.056 0.000 0.679 291 V HN 0.294 nan 8.190 nan 0.000 0.458 292 I N -0.542 120.047 120.570 0.031 0.000 2.277 292 I HA -0.157 4.013 4.170 -0.000 0.000 0.243 292 I C 2.083 178.287 176.117 0.146 0.000 1.094 292 I CA 1.555 62.875 61.300 0.033 0.000 1.393 292 I CB -0.102 37.885 38.000 -0.022 0.000 1.078 292 I HN 0.231 nan 8.210 nan 0.000 0.417 293 L N -0.506 120.775 121.223 0.097 0.000 2.298 293 L HA 0.119 4.459 4.340 -0.000 0.000 0.209 293 L C 0.740 177.657 176.870 0.078 0.000 1.084 293 L CA 0.370 55.264 54.840 0.091 0.000 0.816 293 L CB -0.125 41.971 42.059 0.061 0.000 0.967 293 L HN 0.136 nan 8.230 nan 0.000 0.460 294 E N 0.300 120.545 120.200 0.075 0.000 2.250 294 E HA 0.542 4.892 4.350 -0.000 0.000 0.265 294 E C -0.492 176.159 176.600 0.084 0.000 1.033 294 E CA -0.705 55.742 56.400 0.077 0.000 0.888 294 E CB 1.491 31.231 29.700 0.067 0.000 1.151 294 E HN 0.097 nan 8.360 nan 0.000 0.412 295 A N 1.869 124.742 122.820 0.088 0.000 2.363 295 A HA 0.361 4.681 4.320 -0.000 0.000 0.270 295 A C -0.561 177.056 177.584 0.055 0.000 1.121 295 A CA -0.274 51.796 52.037 0.055 0.000 0.800 295 A CB -0.061 18.936 19.000 -0.004 0.000 1.052 295 A HN 0.636 nan 8.150 nan 0.000 0.493 296 N N 1.734 120.458 118.700 0.039 0.000 2.260 296 N HA 0.539 5.278 4.740 -0.000 0.000 0.293 296 N C -3.037 172.403 175.510 -0.117 0.000 1.058 296 N CA -1.209 51.846 53.050 0.009 0.000 0.824 296 N CB 2.772 41.277 38.487 0.030 0.000 1.551 296 N HN 0.442 nan 8.380 nan 0.000 0.475 297 P HA 0.039 nan 4.420 nan 0.000 0.271 297 P C -0.466 176.660 177.300 -0.291 0.000 1.216 297 P CA -0.119 62.686 63.100 -0.492 0.000 0.776 297 P CB 0.421 31.880 31.700 -0.403 0.000 0.881 298 T N -0.140 114.196 114.554 -0.364 0.000 2.910 298 T HA 0.620 4.970 4.350 -0.000 0.000 0.293 298 T C 0.113 174.740 174.700 -0.122 0.000 1.015 298 T CA -0.603 61.320 62.100 -0.294 0.000 1.094 298 T CB 0.831 69.335 68.868 -0.607 0.000 0.968 298 T HN 0.577 nan 8.240 nan 0.000 0.521 299 A N 1.373 124.205 122.820 0.019 0.000 2.435 299 A HA 0.906 5.226 4.320 -0.000 0.000 0.296 299 A C 0.261 177.892 177.584 0.078 0.000 1.147 299 A CA -0.860 51.193 52.037 0.027 0.000 0.775 299 A CB 0.837 19.852 19.000 0.025 0.000 1.340 299 A HN 1.492 nan 8.150 nan 0.000 0.427 300 A N 1.019 123.867 122.820 0.046 0.000 2.531 300 A HA 0.527 4.847 4.320 -0.000 0.000 0.236 300 A C -2.332 175.285 177.584 0.055 0.000 1.062 300 A CA -0.556 51.511 52.037 0.050 0.000 0.760 300 A CB -0.908 18.107 19.000 0.024 0.000 0.995 300 A HN 0.507 nan 8.150 nan 0.000 0.501 301 P HA 0.124 nan 4.420 nan 0.000 0.270 301 P C 0.045 177.345 177.300 0.000 0.000 1.223 301 P CA -0.408 62.707 63.100 0.026 0.000 0.785 301 P CB 0.399 32.114 31.700 0.026 0.000 0.923 302 R N 1.046 121.531 120.500 -0.025 0.000 2.585 302 R HA 0.298 4.638 4.340 -0.000 0.000 0.275 302 R C 0.477 176.766 176.300 -0.017 0.000 1.018 302 R CA 0.278 56.360 56.100 -0.031 0.000 1.072 302 R CB -0.044 30.218 30.300 -0.063 0.000 0.953 302 R HN 0.588 nan 8.270 nan 0.000 0.419 308 V N 1.649 121.507 119.914 -0.094 0.000 2.760 308 V HA 0.582 4.702 4.120 -0.000 0.000 0.309 308 V C -1.108 174.704 176.094 -0.470 0.000 1.077 308 V CA -0.766 61.359 62.300 -0.291 0.000 0.910 308 V CB 2.131 33.658 31.823 -0.494 0.000 1.008 308 V HN 0.696 nan 8.190 nan 0.000 0.424 309 L N 4.127 125.079 121.223 -0.453 0.000 2.322 309 L HA 0.743 5.083 4.340 -0.000 0.000 0.281 309 L C -1.479 174.985 176.870 -0.676 0.000 1.014 309 L CA -0.132 54.437 54.840 -0.450 0.000 0.815 309 L CB 1.189 43.185 42.059 -0.104 0.000 1.247 309 L HN 0.536 nan 8.230 nan 0.000 0.421 310 F N 3.827 123.345 119.950 -0.720 0.000 2.492 310 F HA 0.534 5.061 4.527 -0.000 0.000 0.327 310 F C 0.242 175.751 175.800 -0.485 0.000 1.079 310 F CA -0.403 57.158 58.000 -0.732 0.000 0.967 310 F CB 1.781 39.870 39.000 -1.518 0.000 1.169 310 F HN 0.648 nan 8.300 nan 0.000 0.472 311 N N 0.611 119.437 118.700 0.211 0.000 2.927 311 N HA 0.717 5.456 4.740 -0.000 0.000 0.248 311 N C -2.007 173.787 175.510 0.474 0.000 1.443 311 N CA -1.075 52.139 53.050 0.274 0.000 0.870 311 N CB 2.475 41.063 38.487 0.168 0.000 1.444 311 N HN 0.441 nan 8.380 nan 0.000 0.519 312 K N 0.591 121.160 120.400 0.283 0.000 2.580 312 K HA 0.300 4.620 4.320 -0.000 0.000 0.258 312 K C -1.663 175.056 176.600 0.200 0.000 0.936 312 K CA -0.357 56.059 56.287 0.216 0.000 0.852 312 K CB 1.667 34.204 32.500 0.062 0.000 1.329 312 K HN 0.759 nan 8.250 nan 0.000 0.430 313 T N -0.146 114.545 114.554 0.230 0.000 2.934 313 T HA 0.899 5.249 4.350 -0.000 0.000 0.283 313 T C 0.221 174.983 174.700 0.104 0.000 1.005 313 T CA -0.501 61.745 62.100 0.242 0.000 1.041 313 T CB 1.683 70.636 68.868 0.141 0.000 1.042 313 T HN 0.688 nan 8.240 nan 0.000 0.505 314 G N 0.122 108.980 108.800 0.096 0.000 2.755 314 G HA2 0.567 4.527 3.960 -0.000 0.000 0.297 314 G HA3 0.567 4.527 3.960 -0.000 0.000 0.297 314 G C -1.380 173.567 174.900 0.079 0.000 1.441 314 G CA -0.824 44.323 45.100 0.078 0.000 0.964 314 G HN 0.875 nan 8.290 nan 0.000 0.540 315 S N -0.607 115.137 115.700 0.073 0.000 2.570 315 S HA 0.903 5.373 4.470 -0.000 0.000 0.270 315 S C -0.233 174.425 174.600 0.096 0.000 1.149 315 S CA -0.501 57.754 58.200 0.092 0.000 0.837 315 S CB 2.142 65.363 63.200 0.035 0.000 1.124 315 S HN 1.413 nan 8.310 nan 0.000 0.465 316 T N -1.104 113.548 114.554 0.163 0.000 2.838 316 T HA 0.485 4.835 4.350 -0.000 0.000 0.292 316 T C 0.431 175.229 174.700 0.163 0.000 1.113 316 T CA -0.876 61.313 62.100 0.148 0.000 1.008 316 T CB 0.736 69.745 68.868 0.234 0.000 1.259 316 T HN 0.288 nan 8.240 nan 0.000 0.520 317 N N 0.476 119.252 118.700 0.127 0.000 2.192 317 N HA -0.007 4.733 4.740 -0.000 0.000 0.188 317 N C 1.631 177.213 175.510 0.120 0.000 1.013 317 N CA 1.692 54.802 53.050 0.101 0.000 0.863 317 N CB -0.436 38.096 38.487 0.075 0.000 0.990 317 N HN 0.905 nan 8.380 nan 0.000 0.430 318 G N -2.242 106.671 108.800 0.188 0.000 3.377 318 G HA2 0.320 4.279 3.960 -0.000 0.000 0.257 318 G HA3 0.320 4.279 3.960 -0.000 0.000 0.257 318 G C -0.327 174.518 174.900 -0.092 0.000 1.038 318 G CA -0.206 44.919 45.100 0.042 0.000 0.809 318 G HN 0.032 nan 8.290 nan 0.000 0.526 319 F N -0.463 119.585 119.950 0.163 0.000 2.599 319 F HA 0.704 5.231 4.527 -0.000 0.000 0.311 319 F C 0.295 176.189 175.800 0.157 0.000 1.076 319 F CA -1.136 56.994 58.000 0.217 0.000 0.937 319 F CB 2.509 41.662 39.000 0.255 0.000 1.282 319 F HN 0.002 nan 8.300 nan 0.000 0.460 320 G N 0.867 109.886 108.800 0.365 0.000 2.737 320 G HA2 0.706 4.666 3.960 -0.000 0.000 0.290 320 G HA3 0.706 4.666 3.960 -0.000 0.000 0.290 320 G C -1.848 173.156 174.900 0.173 0.000 1.482 320 G CA -0.662 44.530 45.100 0.153 0.000 1.017 320 G HN 0.850 nan 8.290 nan 0.000 0.529 321 A N 1.772 124.673 122.820 0.135 0.000 2.384 321 A HA 0.935 5.255 4.320 -0.000 0.000 0.312 321 A C -1.814 175.905 177.584 0.225 0.000 1.113 321 A CA -0.888 51.250 52.037 0.167 0.000 0.779 321 A CB 2.154 21.250 19.000 0.160 0.000 1.307 321 A HN 1.335 nan 8.150 nan 0.000 0.436 322 Y N -0.117 120.237 120.300 0.091 0.000 2.480 322 Y HA 0.490 5.039 4.550 -0.000 0.000 0.329 322 Y C -1.314 174.691 175.900 0.175 0.000 1.127 322 Y CA -0.820 57.347 58.100 0.112 0.000 1.037 322 Y CB 2.022 40.529 38.460 0.078 0.000 1.320 322 Y HN 1.224 nan 8.280 nan 0.000 0.446 323 V N 1.779 121.424 119.914 -0.448 0.000 2.808 323 V HA 1.069 5.189 4.120 -0.000 0.000 0.308 323 V C -1.244 174.636 176.094 -0.357 0.000 1.099 323 V CA -0.336 61.854 62.300 -0.183 0.000 0.920 323 V CB 1.133 33.084 31.823 0.213 0.000 1.014 323 V HN 1.458 nan 8.190 nan 0.000 0.425 324 A N 4.596 127.327 122.820 -0.149 0.000 2.547 324 A HA 1.039 5.359 4.320 -0.000 0.000 0.297 324 A C -1.165 176.479 177.584 0.100 0.000 1.056 324 A CA -0.503 51.482 52.037 -0.087 0.000 0.688 324 A CB 1.778 20.714 19.000 -0.106 0.000 1.282 324 A HN 2.226 nan 8.150 nan 0.000 0.400 325 F N -0.532 119.330 119.950 -0.146 0.000 2.668 325 F HA 0.783 5.309 4.527 -0.000 0.000 0.309 325 F C -1.414 174.283 175.800 -0.172 0.000 1.117 325 F CA -1.313 56.587 58.000 -0.166 0.000 0.951 325 F CB 1.516 40.382 39.000 -0.223 0.000 1.323 325 F HN 0.306 nan 8.300 nan 0.000 0.451 326 V N 2.558 122.423 119.914 -0.081 0.000 2.385 326 V HA 0.299 4.419 4.120 -0.000 0.000 0.277 326 V C -2.044 173.997 176.094 -0.089 0.000 1.012 326 V CA -1.477 60.664 62.300 -0.264 0.000 0.832 326 V CB 1.270 32.727 31.823 -0.610 0.000 1.028 326 V HN 0.668 nan 8.190 nan 0.000 0.436 327 P HA -0.210 nan 4.420 nan 0.000 0.214 327 P C 1.703 178.996 177.300 -0.011 0.000 1.163 327 P CA 2.106 65.240 63.100 0.058 0.000 0.889 327 P CB 0.315 32.077 31.700 0.103 0.000 0.790 328 A N -0.702 122.092 122.820 -0.043 0.000 2.076 328 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 328 A C 1.965 179.520 177.584 -0.049 0.000 1.160 328 A CA 1.500 53.516 52.037 -0.035 0.000 0.653 328 A CB -0.678 18.307 19.000 -0.025 0.000 0.801 328 A HN 0.047 nan 8.150 nan 0.000 0.455 329 R N -1.660 118.777 120.500 -0.105 0.000 2.397 329 R HA 0.185 4.525 4.340 -0.000 0.000 0.241 329 R C 1.181 177.448 176.300 -0.055 0.000 0.914 329 R CA 0.593 56.643 56.100 -0.084 0.000 1.071 329 R CB -0.611 29.598 30.300 -0.152 0.000 1.116 329 R HN 0.752 nan 8.270 nan 0.000 0.524 330 G N 2.712 111.484 108.800 -0.046 0.000 2.249 330 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.273 330 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.273 330 G C 0.249 175.138 174.900 -0.019 0.000 1.036 330 G CA 0.916 46.002 45.100 -0.024 0.000 0.824 330 G HN 0.469 nan 8.290 nan 0.000 0.504 331 I N -3.032 117.521 120.570 -0.028 0.000 2.740 331 I HA 0.998 5.168 4.170 -0.000 0.000 0.303 331 I C 0.405 176.538 176.117 0.027 0.000 1.044 331 I CA -0.907 60.388 61.300 -0.008 0.000 1.064 331 I CB 2.492 40.476 38.000 -0.027 0.000 1.249 331 I HN 0.454 nan 8.210 nan 0.000 0.433 332 G N 3.933 112.763 108.800 0.049 0.000 2.646 332 G HA2 0.643 4.603 3.960 -0.000 0.000 0.291 332 G HA3 0.643 4.603 3.960 -0.000 0.000 0.291 332 G C -2.137 172.818 174.900 0.092 0.000 1.445 332 G CA -0.671 44.484 45.100 0.092 0.000 0.814 332 G HN 0.871 nan 8.290 nan 0.000 0.495 333 I N 0.182 120.819 120.570 0.113 0.000 2.752 333 I HA 0.699 4.869 4.170 -0.000 0.000 0.295 333 I C -1.395 174.805 176.117 0.138 0.000 1.219 333 I CA -1.000 60.380 61.300 0.134 0.000 1.030 333 I CB 2.278 40.366 38.000 0.145 0.000 1.259 333 I HN 0.390 nan 8.210 nan 0.000 0.423 334 V N 7.635 127.648 119.914 0.166 0.000 2.588 334 V HA 0.531 4.651 4.120 -0.000 0.000 0.304 334 V C -0.524 175.681 176.094 0.185 0.000 1.042 334 V CA -0.394 62.006 62.300 0.166 0.000 0.877 334 V CB 1.898 33.823 31.823 0.170 0.000 0.996 334 V HN 0.664 nan 8.190 nan 0.000 0.425 335 M N 6.462 126.173 119.600 0.186 0.000 2.067 335 M HA 0.562 5.041 4.480 -0.000 0.000 0.286 335 M C -1.371 174.996 176.300 0.111 0.000 0.922 335 M CA -0.079 55.328 55.300 0.179 0.000 0.937 335 M CB 1.730 34.483 32.600 0.255 0.000 1.550 335 M HN 0.357 nan 8.290 nan 0.000 0.433 336 L N 2.917 124.103 121.223 -0.062 0.000 2.325 336 L HA 0.945 5.285 4.340 -0.000 0.000 0.281 336 L C -0.269 176.305 176.870 -0.493 0.000 1.004 336 L CA -0.669 53.990 54.840 -0.301 0.000 0.823 336 L CB 1.570 43.263 42.059 -0.610 0.000 1.236 336 L HN 0.756 nan 8.230 nan 0.000 0.415 337 A N 2.279 125.080 122.820 -0.031 0.000 2.413 337 A HA 0.626 4.945 4.320 -0.000 0.000 0.307 337 A C -0.280 177.585 177.584 0.468 0.000 1.087 337 A CA -0.753 51.407 52.037 0.205 0.000 0.750 337 A CB 1.208 20.390 19.000 0.304 0.000 1.296 337 A HN 0.751 nan 8.150 nan 0.000 0.423 338 N N 0.818 119.776 118.700 0.430 0.000 2.714 338 N HA 0.332 5.072 4.740 -0.000 0.000 0.298 338 N C -0.450 175.054 175.510 -0.010 0.000 1.298 338 N CA -0.311 52.737 53.050 -0.002 0.000 1.007 338 N CB 0.207 38.698 38.487 0.005 0.000 1.318 338 N HN 0.578 nan 8.380 nan 0.000 0.516 339 R N 0.014 120.589 120.500 0.125 0.000 2.536 339 R HA 0.280 4.619 4.340 -0.000 0.000 0.269 339 R C -1.850 174.601 176.300 0.251 0.000 1.113 339 R CA -0.495 55.706 56.100 0.169 0.000 0.948 339 R CB 0.510 30.920 30.300 0.183 0.000 1.237 339 R HN 0.064 nan 8.270 nan 0.000 0.441 340 N N 4.442 123.244 118.700 0.169 0.000 2.663 340 N HA 0.112 4.852 4.740 -0.000 0.000 0.250 340 N C -1.284 174.272 175.510 0.077 0.000 1.129 340 N CA -0.133 52.981 53.050 0.108 0.000 0.995 340 N CB -0.077 38.458 38.487 0.080 0.000 1.324 340 N HN 0.521 nan 8.380 nan 0.000 0.512 341 Y N 1.196 121.463 120.300 -0.054 0.000 2.432 341 Y HA 0.712 5.262 4.550 -0.000 0.000 0.322 341 Y C -2.325 173.444 175.900 -0.219 0.000 1.246 341 Y CA -3.029 54.951 58.100 -0.200 0.000 1.268 341 Y CB -0.367 37.895 38.460 -0.330 0.000 1.276 341 Y HN 0.241 nan 8.280 nan 0.000 0.499 342 P HA -0.033 nan 4.420 nan 0.000 0.259 342 P C 0.604 177.716 177.300 -0.313 0.000 1.163 342 P CA 0.716 63.678 63.100 -0.230 0.000 0.760 342 P CB 0.497 32.123 31.700 -0.124 0.000 0.762 343 I N 2.850 123.262 120.570 -0.263 0.000 2.264 343 I HA -0.332 3.838 4.170 -0.000 0.000 0.248 343 I C 2.150 178.124 176.117 -0.238 0.000 1.111 343 I CA 1.761 62.896 61.300 -0.274 0.000 1.382 343 I CB -0.415 37.474 38.000 -0.185 0.000 1.060 343 I HN 0.453 nan 8.210 nan 0.000 0.418 344 E N 1.828 121.937 120.200 -0.152 0.000 2.160 344 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 344 E C 1.998 178.547 176.600 -0.086 0.000 0.991 344 E CA 1.570 57.902 56.400 -0.113 0.000 0.810 344 E CB -0.628 29.035 29.700 -0.062 0.000 0.742 344 E HN 0.436 nan 8.360 nan 0.000 0.466 345 A N 1.075 123.872 122.820 -0.038 0.000 1.930 345 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 345 A C 2.216 179.842 177.584 0.069 0.000 1.175 345 A CA 1.397 53.479 52.037 0.075 0.000 0.627 345 A CB -0.369 18.757 19.000 0.210 0.000 0.815 345 A HN 0.217 nan 8.150 nan 0.000 0.443 346 R N -0.790 119.681 120.500 -0.049 0.000 2.066 346 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 346 R C 1.840 177.961 176.300 -0.298 0.000 1.131 346 R CA 1.493 57.515 56.100 -0.129 0.000 0.955 346 R CB -0.576 29.499 30.300 -0.374 0.000 0.851 346 R HN 0.432 nan 8.270 nan 0.000 0.432 347 I N 1.609 121.922 120.570 -0.428 0.000 2.179 347 I HA -0.253 3.916 4.170 -0.000 0.000 0.242 347 I C 2.086 178.140 176.117 -0.105 0.000 1.088 347 I CA 1.592 62.672 61.300 -0.366 0.000 1.357 347 I CB -0.326 37.492 38.000 -0.304 0.000 1.051 347 I HN 0.057 nan 8.210 nan 0.000 0.409 348 K N 0.188 120.545 120.400 -0.071 0.000 2.057 348 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 348 K C 2.203 178.834 176.600 0.052 0.000 1.049 348 K CA 1.537 57.820 56.287 -0.007 0.000 0.931 348 K CB -0.365 32.127 32.500 -0.013 0.000 0.714 348 K HN 0.349 nan 8.250 nan 0.000 0.440 349 A N 1.476 124.322 122.820 0.044 0.000 1.873 349 A HA -0.052 4.267 4.320 -0.000 0.000 0.215 349 A C 2.386 180.022 177.584 0.087 0.000 1.186 349 A CA 1.659 53.730 52.037 0.057 0.000 0.616 349 A CB -0.675 18.358 19.000 0.056 0.000 0.823 349 A HN 0.312 nan 8.150 nan 0.000 0.442 350 A N -1.171 121.723 122.820 0.124 0.000 1.902 350 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 350 A C 2.150 179.830 177.584 0.160 0.000 1.181 350 A CA 1.766 53.920 52.037 0.195 0.000 0.623 350 A CB -0.986 18.250 19.000 0.394 0.000 0.818 350 A HN 0.749 nan 8.150 nan 0.000 0.443 351 H N 0.104 119.211 119.070 0.062 0.000 2.353 351 H HA -0.074 4.481 4.556 -0.000 0.000 0.300 351 H C 2.246 177.592 175.328 0.030 0.000 1.090 351 H CA 1.732 57.803 56.048 0.039 0.000 1.327 351 H CB -0.173 29.586 29.762 -0.006 0.000 1.383 351 H HN 0.408 nan 8.280 nan 0.000 0.508 352 A N 1.229 124.102 122.820 0.088 0.000 1.877 352 A HA -0.088 4.231 4.320 -0.000 0.000 0.216 352 A C 2.782 180.348 177.584 -0.031 0.000 1.186 352 A CA 1.396 53.449 52.037 0.027 0.000 0.620 352 A CB -0.749 18.282 19.000 0.051 0.000 0.822 352 A HN 0.431 nan 8.150 nan 0.000 0.443 353 I N -0.369 120.196 120.570 -0.008 0.000 2.252 353 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 353 I C 2.368 178.469 176.117 -0.026 0.000 1.102 353 I CA 1.041 62.330 61.300 -0.019 0.000 1.385 353 I CB -0.359 37.645 38.000 0.006 0.000 1.064 353 I HN 0.276 nan 8.210 nan 0.000 0.414 354 L N 0.581 121.790 121.223 -0.023 0.000 2.083 354 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 354 L C 2.859 179.697 176.870 -0.053 0.000 1.083 354 L CA 1.302 56.126 54.840 -0.027 0.000 0.752 354 L CB -0.691 41.361 42.059 -0.011 0.000 0.899 354 L HN 0.261 nan 8.230 nan 0.000 0.433 355 A N -0.780 121.960 122.820 -0.132 0.000 1.902 355 A HA -0.217 4.102 4.320 -0.000 0.000 0.217 355 A C 2.244 179.795 177.584 -0.054 0.000 1.181 355 A CA 1.303 53.267 52.037 -0.122 0.000 0.623 355 A CB -0.326 18.555 19.000 -0.197 0.000 0.818 355 A HN 0.380 nan 8.150 nan 0.000 0.443 356 Q N -0.269 119.501 119.800 -0.051 0.000 2.119 356 Q HA -0.016 4.324 4.340 -0.000 0.000 0.201 356 Q C 2.135 178.118 176.000 -0.029 0.000 0.972 356 Q CA 1.083 56.864 55.803 -0.037 0.000 0.847 356 Q CB -0.455 28.256 28.738 -0.044 0.000 0.903 356 Q HN 0.733 nan 8.270 nan 0.000 0.433 357 L N -0.107 121.100 121.223 -0.026 0.000 2.156 357 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 357 L C 2.329 179.197 176.870 -0.003 0.000 1.095 357 L CA 0.919 55.748 54.840 -0.017 0.000 0.770 357 L CB -0.540 41.513 42.059 -0.010 0.000 0.914 357 L HN 0.086 nan 8.230 nan 0.000 0.439 358 A N -0.258 122.568 122.820 0.010 0.000 1.968 358 A HA 0.284 4.604 4.320 -0.000 0.000 0.217 358 A C 1.342 178.946 177.584 0.033 0.000 1.169 358 A CA 1.082 53.143 52.037 0.040 0.000 0.638 358 A CB -0.534 18.537 19.000 0.119 0.000 0.812 358 A HN 0.491 nan 8.150 nan 0.000 0.446 359 G N 0.000 108.808 108.800 0.014 0.000 5.446 359 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 359 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 359 G CA 0.000 45.105 45.100 0.008 0.000 0.502 359 G HN 0.000 nan 8.290 nan 0.000 0.925