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 2zis_1_B DATA FIRST_RESID 22 DATA SEQUENCE PLYSLRPEHA RERLQDDSVE TVTSIEQAKV EEKIQEVFSS YKFNHLVPRL DATA SEQUENCE VLQREKHFHY LKRGLRQLTD AYECLDASRP WLCYWILHSL ELLDEPIPQI DATA SEQUENCE VATDVCQFLE LCQSPDGGFG GGPGQYPHLA PTYAAVNALC IIGTEEAYNV DATA SEQUENCE INREKLLQYL YSLKQPDGSF LMHVGGEVDV RSAYCAASVA SLTNIITPDL DATA SEQUENCE FEGTAEWIAR CQNWEGGIGG VPGMEAHGGY TFCGLAALVI LKKERSLNLK DATA SEQUENCE SLLQWVTSRQ MRFEGGFQGR CNKLVDGCYS FWQAGLLPLL HRALHAQGDP DATA SEQUENCE ALSMSHWMFH QQALQEYILM CCQCPAGGLL DKPGKSRDFY HTCYCLSGLS DATA SEQUENCE IAQHFGSGAM LHDVVMGVPE NVLQPTHPVY NIGPDKVIQA TTHFLQKPVP DATA SEQUENCE G 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 22 P HA 0.000 nan 4.420 nan 0.000 0.216 22 P C 0.000 177.276 177.300 -0.040 0.000 1.155 22 P CA 0.000 63.080 63.100 -0.034 0.000 0.800 22 P CB 0.000 31.671 31.700 -0.049 0.000 0.726 23 L N 1.433 122.607 121.223 -0.083 0.000 2.265 23 L HA 0.343 4.683 4.340 -0.000 0.000 0.289 23 L C 1.632 178.421 176.870 -0.135 0.000 1.033 23 L CA -0.765 54.007 54.840 -0.113 0.000 0.814 23 L CB 1.574 43.517 42.059 -0.194 0.000 1.203 23 L HN 0.084 nan 8.230 nan 0.000 0.423 24 Y N 2.780 122.949 120.300 -0.219 0.000 2.102 24 Y HA -0.342 4.208 4.550 -0.000 0.000 0.280 24 Y C 2.282 177.877 175.900 -0.508 0.000 1.178 24 Y CA 2.239 60.185 58.100 -0.257 0.000 1.146 24 Y CB 0.227 38.565 38.460 -0.203 0.000 0.968 24 Y HN 0.628 nan 8.280 nan 0.000 0.504 25 S N -0.087 115.172 115.700 -0.735 0.000 2.515 25 S HA 0.006 4.476 4.470 -0.000 0.000 0.231 25 S C 1.589 175.499 174.600 -1.150 0.000 0.987 25 S CA 1.041 58.351 58.200 -1.484 0.000 0.936 25 S CB -0.171 61.954 63.200 -1.791 0.000 0.766 25 S HN 0.462 nan 8.310 nan 0.000 0.528 26 L N 0.197 121.044 121.223 -0.627 0.000 2.664 26 L HA 0.252 4.592 4.340 -0.000 0.000 0.233 26 L C 0.610 177.370 176.870 -0.183 0.000 1.113 26 L CA -0.047 54.597 54.840 -0.326 0.000 0.896 26 L CB -0.011 41.912 42.059 -0.226 0.000 1.163 26 L HN 0.058 nan 8.230 nan 0.000 0.497 27 R N 1.684 122.054 120.500 -0.217 0.000 2.643 27 R HA 0.047 4.387 4.340 -0.000 0.000 0.270 27 R C -1.152 175.118 176.300 -0.050 0.000 1.061 27 R CA -1.168 54.862 56.100 -0.116 0.000 1.107 27 R CB 0.277 30.499 30.300 -0.129 0.000 0.999 27 R HN -0.121 nan 8.270 nan 0.000 0.460 28 P HA -0.180 nan 4.420 nan 0.000 0.216 28 P C 0.083 177.397 177.300 0.024 0.000 1.150 28 P CA 1.432 64.544 63.100 0.020 0.000 0.837 28 P CB 0.288 31.998 31.700 0.017 0.000 0.786 29 E N -0.820 119.380 120.200 0.000 0.000 2.160 29 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 29 E C 2.097 178.692 176.600 -0.007 0.000 0.991 29 E CA 1.030 57.427 56.400 -0.005 0.000 0.810 29 E CB -1.391 28.299 29.700 -0.017 0.000 0.742 29 E HN 0.434 nan 8.360 nan 0.000 0.466 30 H N 0.528 119.518 119.070 -0.133 0.000 2.426 30 H HA -0.084 4.472 4.556 -0.000 0.000 0.298 30 H C 1.870 177.240 175.328 0.071 0.000 1.107 30 H CA 1.621 57.580 56.048 -0.148 0.000 1.298 30 H CB -0.228 29.351 29.762 -0.305 0.000 1.377 30 H HN 0.215 nan 8.280 nan 0.000 0.519 31 A N 0.596 123.481 122.820 0.109 0.000 2.024 31 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 31 A C 2.344 179.936 177.584 0.012 0.000 1.164 31 A CA 1.520 53.627 52.037 0.118 0.000 0.643 31 A CB -0.431 18.626 19.000 0.096 0.000 0.806 31 A HN 0.477 nan 8.150 nan 0.000 0.451 32 R N -0.460 120.029 120.500 -0.019 0.000 2.237 32 R HA -0.051 4.289 4.340 -0.000 0.000 0.219 32 R C 0.866 177.132 176.300 -0.057 0.000 1.080 32 R CA 0.885 56.963 56.100 -0.036 0.000 0.995 32 R CB -0.025 30.260 30.300 -0.026 0.000 0.875 32 R HN 0.439 nan 8.270 nan 0.000 0.462 33 E N 0.528 120.679 120.200 -0.083 0.000 2.502 33 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 33 E C 0.255 176.825 176.600 -0.049 0.000 1.062 33 E CA 0.262 56.622 56.400 -0.066 0.000 0.867 33 E CB 0.061 29.662 29.700 -0.165 0.000 0.888 33 E HN 0.084 nan 8.360 nan 0.000 0.510 34 R N 0.936 121.338 120.500 -0.164 0.000 2.679 34 R HA 0.043 4.383 4.340 -0.000 0.000 0.268 34 R C 0.550 176.727 176.300 -0.205 0.000 1.044 34 R CA -0.565 55.313 56.100 -0.370 0.000 1.105 34 R CB 0.137 30.197 30.300 -0.400 0.000 0.989 34 R HN 0.071 nan 8.270 nan 0.000 0.447 35 L N 2.414 123.513 121.223 -0.206 0.000 2.559 35 L HA -0.103 4.237 4.340 -0.000 0.000 0.282 35 L C -0.123 176.690 176.870 -0.095 0.000 1.232 35 L CA 1.199 55.967 54.840 -0.120 0.000 0.885 35 L CB 0.237 42.230 42.059 -0.109 0.000 1.131 35 L HN 0.429 nan 8.230 nan 0.000 0.498 36 Q N 3.636 123.398 119.800 -0.064 0.000 2.394 36 Q HA 0.183 4.523 4.340 -0.000 0.000 0.259 36 Q C -0.197 175.781 176.000 -0.038 0.000 1.021 36 Q CA -0.365 55.409 55.803 -0.049 0.000 0.805 36 Q CB 1.019 29.734 28.738 -0.037 0.000 1.226 36 Q HN 0.737 nan 8.270 nan 0.000 0.476 37 D N 1.772 122.150 120.400 -0.037 0.000 2.328 37 D HA -0.092 4.548 4.640 -0.000 0.000 0.226 37 D C -0.348 175.941 176.300 -0.020 0.000 1.066 37 D CA 0.006 53.989 54.000 -0.028 0.000 0.861 37 D CB 0.230 41.012 40.800 -0.030 0.000 0.912 37 D HN 0.449 nan 8.370 nan 0.000 0.521 38 D N -0.127 120.261 120.400 -0.019 0.000 2.955 38 D HA -0.239 4.401 4.640 -0.000 0.000 0.226 38 D C -0.086 176.206 176.300 -0.013 0.000 1.178 38 D CA 1.138 55.129 54.000 -0.014 0.000 0.808 38 D CB -1.816 38.979 40.800 -0.009 0.000 1.099 38 D HN 0.276 nan 8.370 nan 0.000 0.421 39 S N -2.690 113.001 115.700 -0.016 0.000 3.380 39 S HA -0.227 4.242 4.470 -0.000 0.000 0.300 39 S C 0.255 174.849 174.600 -0.011 0.000 1.255 39 S CA 0.928 59.120 58.200 -0.014 0.000 0.963 39 S CB -0.814 62.379 63.200 -0.012 0.000 1.106 39 S HN 0.375 nan 8.310 nan 0.000 0.629 40 V N 2.151 122.058 119.914 -0.011 0.000 2.293 40 V HA 0.282 4.401 4.120 -0.000 0.000 0.275 40 V C 0.349 176.438 176.094 -0.008 0.000 1.021 40 V CA -0.521 61.775 62.300 -0.007 0.000 0.815 40 V CB 1.348 33.169 31.823 -0.005 0.000 1.025 40 V HN 0.318 nan 8.190 nan 0.000 0.448 41 E N 3.307 123.502 120.200 -0.008 0.000 2.283 41 E HA 0.605 4.955 4.350 -0.000 0.000 0.278 41 E C 0.054 176.651 176.600 -0.004 0.000 1.027 41 E CA -0.283 56.112 56.400 -0.008 0.000 0.843 41 E CB 1.856 31.550 29.700 -0.010 0.000 1.062 41 E HN 0.785 nan 8.360 nan 0.000 0.401 42 T N -2.273 112.280 114.554 -0.002 0.000 2.812 42 T HA 0.199 4.549 4.350 -0.000 0.000 0.294 42 T C 0.997 175.699 174.700 0.003 0.000 1.159 42 T CA -0.815 61.287 62.100 0.003 0.000 1.008 42 T CB 0.885 69.757 68.868 0.007 0.000 1.289 42 T HN 0.097 nan 8.240 nan 0.000 0.514 43 V N 1.118 121.037 119.914 0.008 0.000 2.324 43 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 43 V C 2.891 178.991 176.094 0.010 0.000 1.060 43 V CA 2.760 65.066 62.300 0.009 0.000 1.042 43 V CB -1.521 30.311 31.823 0.015 0.000 0.650 43 V HN 1.096 nan 8.190 nan 0.000 0.450 44 T N 0.515 115.076 114.554 0.013 0.000 2.674 44 T HA -0.204 4.146 4.350 -0.000 0.000 0.265 44 T C 2.148 176.850 174.700 0.002 0.000 1.039 44 T CA 2.082 64.189 62.100 0.013 0.000 1.150 44 T CB -0.466 68.413 68.868 0.018 0.000 0.864 44 T HN 0.746 nan 8.240 nan 0.000 0.427 45 S N 1.683 117.381 115.700 -0.003 0.000 2.368 45 S HA -0.071 4.399 4.470 -0.000 0.000 0.225 45 S C 2.128 176.716 174.600 -0.020 0.000 1.030 45 S CA 0.987 59.178 58.200 -0.014 0.000 0.999 45 S CB -0.918 62.272 63.200 -0.016 0.000 0.844 45 S HN 0.492 nan 8.310 nan 0.000 0.459 46 I N 1.876 122.437 120.570 -0.014 0.000 2.163 46 I HA -0.142 4.028 4.170 -0.000 0.000 0.243 46 I C 2.864 178.972 176.117 -0.016 0.000 1.085 46 I CA 1.560 62.850 61.300 -0.017 0.000 1.347 46 I CB -0.381 37.613 38.000 -0.011 0.000 1.044 46 I HN 0.277 nan 8.210 nan 0.000 0.408 47 E N 0.234 120.430 120.200 -0.007 0.000 2.208 47 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 47 E C 2.018 178.615 176.600 -0.004 0.000 0.988 47 E CA 0.920 57.319 56.400 -0.001 0.000 0.828 47 E CB -0.206 29.501 29.700 0.010 0.000 0.763 47 E HN 0.438 nan 8.360 nan 0.000 0.478 48 Q N 0.899 120.693 119.800 -0.010 0.000 2.123 48 Q HA 0.022 4.362 4.340 -0.000 0.000 0.199 48 Q C 1.892 177.870 176.000 -0.038 0.000 0.966 48 Q CA 1.647 57.441 55.803 -0.016 0.000 0.845 48 Q CB -0.283 28.443 28.738 -0.020 0.000 0.907 48 Q HN 0.164 nan 8.270 nan 0.000 0.439 49 A N 0.556 123.347 122.820 -0.049 0.000 1.898 49 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 49 A C 1.990 179.536 177.584 -0.065 0.000 1.181 49 A CA 1.494 53.486 52.037 -0.075 0.000 0.620 49 A CB -0.392 18.567 19.000 -0.068 0.000 0.819 49 A HN 0.379 nan 8.150 nan 0.000 0.442 50 K N -0.582 119.794 120.400 -0.041 0.000 2.032 50 K HA -0.114 4.206 4.320 -0.000 0.000 0.209 50 K C 1.954 178.538 176.600 -0.028 0.000 1.048 50 K CA 1.490 57.756 56.287 -0.034 0.000 0.927 50 K CB -0.512 31.975 32.500 -0.021 0.000 0.712 50 K HN 0.325 nan 8.250 nan 0.000 0.441 51 V N 1.473 121.380 119.914 -0.012 0.000 2.427 51 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 51 V C 1.787 177.891 176.094 0.017 0.000 1.051 51 V CA 1.795 64.101 62.300 0.010 0.000 1.048 51 V CB -0.147 31.696 31.823 0.033 0.000 0.666 51 V HN 0.295 nan 8.190 nan 0.000 0.456 52 E N -0.431 119.764 120.200 -0.009 0.000 2.077 52 E HA -0.255 4.094 4.350 -0.000 0.000 0.193 52 E C 2.244 178.811 176.600 -0.054 0.000 0.989 52 E CA 1.490 57.871 56.400 -0.031 0.000 0.800 52 E CB -0.141 29.419 29.700 -0.233 0.000 0.746 52 E HN 0.728 nan 8.360 nan 0.000 0.452 53 E N 0.859 121.011 120.200 -0.081 0.000 2.077 53 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 53 E C 1.975 178.547 176.600 -0.046 0.000 0.989 53 E CA 1.093 57.450 56.400 -0.071 0.000 0.800 53 E CB 0.107 29.765 29.700 -0.070 0.000 0.746 53 E HN -0.093 nan 8.360 nan 0.000 0.452 54 K N 0.674 121.048 120.400 -0.042 0.000 2.148 54 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 54 K C 1.893 178.443 176.600 -0.083 0.000 1.050 54 K CA 0.833 57.085 56.287 -0.058 0.000 0.942 54 K CB -0.161 32.312 32.500 -0.044 0.000 0.724 54 K HN 0.139 nan 8.250 nan 0.000 0.446 55 I N 0.776 121.308 120.570 -0.062 0.000 2.439 55 I HA -0.119 4.051 4.170 -0.000 0.000 0.251 55 I C 2.138 178.037 176.117 -0.364 0.000 1.139 55 I CA 1.013 62.174 61.300 -0.231 0.000 1.438 55 I CB -1.091 36.829 38.000 -0.134 0.000 1.085 55 I HN 0.309 nan 8.210 nan 0.000 0.427 56 Q N 1.633 121.445 119.800 0.020 0.000 2.124 56 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 56 Q C 2.010 178.043 176.000 0.055 0.000 0.977 56 Q CA 1.728 57.642 55.803 0.185 0.000 0.850 56 Q CB -0.135 28.741 28.738 0.229 0.000 0.901 56 Q HN 0.481 nan 8.270 nan 0.000 0.429 57 E N -1.038 119.132 120.200 -0.050 0.000 2.058 57 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 57 E C 1.940 178.480 176.600 -0.099 0.000 0.997 57 E CA 1.538 57.874 56.400 -0.107 0.000 0.801 57 E CB -0.028 29.581 29.700 -0.151 0.000 0.746 57 E HN 0.218 nan 8.360 nan 0.000 0.450 58 V N 0.842 120.681 119.914 -0.124 0.000 2.295 58 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 58 V C 1.993 178.169 176.094 0.136 0.000 1.049 58 V CA 1.708 63.958 62.300 -0.083 0.000 1.024 58 V CB -0.600 31.139 31.823 -0.140 0.000 0.648 58 V HN 0.290 nan 8.190 nan 0.000 0.447 59 F N 0.397 120.398 119.950 0.086 0.000 2.069 59 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 59 F C 2.617 178.528 175.800 0.185 0.000 1.113 59 F CA 1.352 59.432 58.000 0.132 0.000 1.214 59 F CB -0.311 38.725 39.000 0.060 0.000 0.978 59 F HN 0.119 nan 8.300 nan 0.000 0.474 60 S N -0.247 115.638 115.700 0.307 0.000 2.522 60 S HA -0.121 4.349 4.470 -0.000 0.000 0.227 60 S C 2.001 176.691 174.600 0.151 0.000 0.986 60 S CA 0.826 59.154 58.200 0.213 0.000 0.929 60 S CB -0.360 62.928 63.200 0.146 0.000 0.769 60 S HN 0.436 nan 8.310 nan 0.000 0.529 61 S N 1.040 116.753 115.700 0.022 0.000 2.420 61 S HA -0.220 4.250 4.470 -0.000 0.000 0.237 61 S C 1.513 176.059 174.600 -0.090 0.000 1.023 61 S CA 1.139 59.273 58.200 -0.111 0.000 0.991 61 S CB -0.767 62.250 63.200 -0.304 0.000 0.792 61 S HN 0.617 nan 8.310 nan 0.000 0.488 62 Y N 1.854 122.203 120.300 0.082 0.000 2.184 62 Y HA 0.157 4.707 4.550 -0.000 0.000 0.290 62 Y C 2.688 178.609 175.900 0.035 0.000 1.129 62 Y CA 1.130 59.263 58.100 0.055 0.000 1.144 62 Y CB -0.413 38.075 38.460 0.046 0.000 0.995 62 Y HN 0.224 nan 8.280 nan 0.000 0.513 63 K N -0.081 120.454 120.400 0.224 0.000 2.097 63 K HA -0.210 4.109 4.320 -0.000 0.000 0.206 63 K C 1.987 178.581 176.600 -0.010 0.000 1.049 63 K CA 1.384 57.749 56.287 0.130 0.000 0.933 63 K CB -0.421 32.168 32.500 0.149 0.000 0.717 63 K HN 0.243 nan 8.250 nan 0.000 0.442 64 F N 2.081 121.943 119.950 -0.147 0.000 2.113 64 F HA -0.103 4.424 4.527 -0.000 0.000 0.297 64 F C 1.559 177.060 175.800 -0.498 0.000 1.103 64 F CA 1.455 59.301 58.000 -0.257 0.000 1.248 64 F CB -0.061 38.856 39.000 -0.139 0.000 0.999 64 F HN 0.088 nan 8.300 nan 0.000 0.475 65 N N -0.304 118.275 118.700 -0.202 0.000 2.383 65 N HA -0.056 4.684 4.740 -0.000 0.000 0.192 65 N C -0.531 174.882 175.510 -0.162 0.000 1.141 65 N CA 0.533 53.449 53.050 -0.223 0.000 0.851 65 N CB -0.451 38.021 38.487 -0.025 0.000 0.976 65 N HN 0.401 nan 8.380 nan 0.000 0.465 66 H N -0.485 118.604 119.070 0.031 0.000 2.756 66 H HA -0.146 4.410 4.556 -0.000 0.000 0.315 66 H C -0.435 174.927 175.328 0.056 0.000 1.210 66 H CA 0.606 56.673 56.048 0.032 0.000 1.150 66 H CB -2.108 27.647 29.762 -0.011 0.000 1.463 66 H HN 0.262 nan 8.280 nan 0.000 0.427 67 L N -0.283 121.037 121.223 0.162 0.000 2.370 67 L HA 0.501 4.841 4.340 -0.000 0.000 0.266 67 L C 0.557 177.532 176.870 0.175 0.000 1.002 67 L CA -1.120 53.816 54.840 0.160 0.000 0.818 67 L CB 2.654 44.814 42.059 0.168 0.000 1.325 67 L HN 0.031 nan 8.230 nan 0.000 0.418 68 V N 4.591 124.570 119.914 0.109 0.000 2.508 68 V HA 0.319 4.438 4.120 -0.000 0.000 0.281 68 V C -1.805 174.296 176.094 0.012 0.000 1.041 68 V CA -1.250 61.078 62.300 0.047 0.000 1.016 68 V CB 0.982 32.816 31.823 0.019 0.000 0.984 68 V HN 0.607 nan 8.190 nan 0.000 0.478 69 P HA 0.259 nan 4.420 nan 0.000 0.271 69 P C -1.254 175.894 177.300 -0.253 0.000 1.216 69 P CA -0.149 62.642 63.100 -0.514 0.000 0.771 69 P CB 0.327 31.353 31.700 -1.123 0.000 0.864 70 R N 2.752 123.171 120.500 -0.136 0.000 2.502 70 R HA 0.530 4.870 4.340 -0.000 0.000 0.298 70 R C -0.771 175.519 176.300 -0.017 0.000 1.018 70 R CA -0.908 55.161 56.100 -0.053 0.000 0.899 70 R CB 0.915 31.217 30.300 0.004 0.000 1.181 70 R HN 0.283 nan 8.270 nan 0.000 0.444 71 L N 3.979 125.182 121.223 -0.032 0.000 2.268 71 L HA 0.432 4.772 4.340 -0.000 0.000 0.289 71 L C -0.595 176.285 176.870 0.016 0.000 1.064 71 L CA -1.053 53.789 54.840 0.004 0.000 0.824 71 L CB 1.306 43.358 42.059 -0.012 0.000 1.202 71 L HN 0.436 nan 8.230 nan 0.000 0.433 72 V N 4.535 124.469 119.914 0.032 0.000 2.444 72 V HA 0.273 4.393 4.120 -0.000 0.000 0.294 72 V C -0.049 176.067 176.094 0.037 0.000 1.022 72 V CA -0.662 61.654 62.300 0.026 0.000 0.850 72 V CB 2.365 34.199 31.823 0.018 0.000 0.992 72 V HN 0.483 nan 8.190 nan 0.000 0.426 73 L N 5.172 126.423 121.223 0.046 0.000 2.361 73 L HA 0.354 4.694 4.340 -0.000 0.000 0.278 73 L C 0.760 177.661 176.870 0.052 0.000 1.113 73 L CA 0.482 55.376 54.840 0.090 0.000 0.849 73 L CB 0.879 42.995 42.059 0.096 0.000 1.155 73 L HN 0.611 nan 8.230 nan 0.000 0.452 74 Q N 5.416 125.205 119.800 -0.020 0.000 3.223 74 Q HA 0.067 4.407 4.340 -0.000 0.000 0.299 74 Q C 1.114 176.914 176.000 -0.333 0.000 1.385 74 Q CA 0.176 55.822 55.803 -0.262 0.000 0.942 74 Q CB -0.263 28.207 28.738 -0.446 0.000 1.748 74 Q HN 0.727 nan 8.270 nan 0.000 0.523 75 R N 0.526 121.010 120.500 -0.026 0.000 2.136 75 R HA -0.249 4.091 4.340 -0.000 0.000 0.242 75 R C 1.509 177.862 176.300 0.088 0.000 1.131 75 R CA 1.889 58.037 56.100 0.080 0.000 0.937 75 R CB 0.053 30.383 30.300 0.049 0.000 0.863 75 R HN 0.330 nan 8.270 nan 0.000 0.435 76 E N 0.572 120.792 120.200 0.033 0.000 2.049 76 E HA -0.176 4.174 4.350 -0.000 0.000 0.198 76 E C 1.915 178.596 176.600 0.136 0.000 1.007 76 E CA 1.232 57.690 56.400 0.097 0.000 0.809 76 E CB -0.050 29.671 29.700 0.035 0.000 0.749 76 E HN 0.110 nan 8.360 nan 0.000 0.450 77 K N 0.033 120.417 120.400 -0.027 0.000 2.026 77 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 77 K C 2.057 178.707 176.600 0.083 0.000 1.048 77 K CA 1.335 57.594 56.287 -0.046 0.000 0.929 77 K CB -0.545 31.828 32.500 -0.213 0.000 0.713 77 K HN 0.359 nan 8.250 nan 0.000 0.439 78 H N -0.694 118.467 119.070 0.152 0.000 2.421 78 H HA -0.105 4.451 4.556 -0.000 0.000 0.298 78 H C 1.963 177.451 175.328 0.268 0.000 1.087 78 H CA 0.910 57.070 56.048 0.187 0.000 1.330 78 H CB -0.542 29.296 29.762 0.126 0.000 1.388 78 H HN 0.156 nan 8.280 nan 0.000 0.526 79 F N 1.534 121.619 119.950 0.226 0.000 2.113 79 F HA -0.190 4.337 4.527 -0.000 0.000 0.297 79 F C 2.850 178.753 175.800 0.171 0.000 1.103 79 F CA 1.611 59.708 58.000 0.162 0.000 1.248 79 F CB -0.461 38.602 39.000 0.104 0.000 0.999 79 F HN 0.195 nan 8.300 nan 0.000 0.475 80 H N -0.980 118.083 119.070 -0.011 0.000 2.321 80 H HA -0.267 4.288 4.556 -0.000 0.000 0.300 80 H C 2.234 177.544 175.328 -0.030 0.000 1.087 80 H CA 2.286 58.270 56.048 -0.107 0.000 1.319 80 H CB -1.110 28.681 29.762 0.049 0.000 1.379 80 H HN 0.424 nan 8.280 nan 0.000 0.501 81 Y N 1.430 121.781 120.300 0.085 0.000 2.114 81 Y HA -0.252 4.298 4.550 -0.000 0.000 0.282 81 Y C 2.653 178.618 175.900 0.108 0.000 1.165 81 Y CA 1.997 60.152 58.100 0.091 0.000 1.148 81 Y CB -0.710 37.813 38.460 0.104 0.000 0.972 81 Y HN 0.161 nan 8.280 nan 0.000 0.504 82 L N 0.114 121.347 121.223 0.016 0.000 2.023 82 L HA -0.179 4.161 4.340 -0.000 0.000 0.205 82 L C 2.657 179.375 176.870 -0.253 0.000 1.073 82 L CA 1.721 56.533 54.840 -0.047 0.000 0.745 82 L CB -0.767 41.313 42.059 0.034 0.000 0.900 82 L HN 0.076 nan 8.230 nan 0.000 0.435 83 K N 0.719 120.853 120.400 -0.443 0.000 2.089 83 K HA -0.277 4.043 4.320 -0.000 0.000 0.210 83 K C 2.333 178.702 176.600 -0.384 0.000 1.048 83 K CA 1.851 57.825 56.287 -0.523 0.000 0.926 83 K CB -0.050 31.912 32.500 -0.896 0.000 0.714 83 K HN 0.167 nan 8.250 nan 0.000 0.448 84 R N -0.483 119.777 120.500 -0.399 0.000 2.062 84 R HA -0.050 4.290 4.340 -0.000 0.000 0.226 84 R C 2.418 178.560 176.300 -0.263 0.000 1.125 84 R CA 1.382 57.292 56.100 -0.318 0.000 0.966 84 R CB -0.539 29.549 30.300 -0.354 0.000 0.861 84 R HN 0.356 nan 8.270 nan 0.000 0.433 85 G N 1.410 110.044 108.800 -0.277 0.000 2.442 85 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.219 85 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.219 85 G C 1.271 175.860 174.900 -0.517 0.000 1.141 85 G CA 0.699 45.534 45.100 -0.441 0.000 0.763 85 G HN 0.311 nan 8.290 nan 0.000 0.554 86 L N -0.137 120.830 121.223 -0.427 0.000 2.261 86 L HA 0.093 4.433 4.340 -0.000 0.000 0.216 86 L C 2.519 179.208 176.870 -0.301 0.000 1.114 86 L CA 1.738 56.367 54.840 -0.352 0.000 0.777 86 L CB -0.265 41.637 42.059 -0.263 0.000 0.910 86 L HN 0.154 nan 8.230 nan 0.000 0.440 87 R N -0.626 119.712 120.500 -0.270 0.000 2.087 87 R HA 0.208 4.548 4.340 -0.000 0.000 0.213 87 R C 0.193 176.364 176.300 -0.215 0.000 1.137 87 R CA 0.935 56.902 56.100 -0.221 0.000 1.022 87 R CB 0.196 30.392 30.300 -0.174 0.000 0.920 87 R HN 0.637 nan 8.270 nan 0.000 0.451 88 Q N -0.545 119.139 119.800 -0.193 0.000 2.435 88 Q HA 0.503 4.843 4.340 -0.000 0.000 0.282 88 Q C -1.589 174.343 176.000 -0.113 0.000 1.020 88 Q CA -0.884 54.831 55.803 -0.148 0.000 0.820 88 Q CB 1.908 30.589 28.738 -0.095 0.000 1.436 88 Q HN 0.049 nan 8.270 nan 0.000 0.395 89 L N 0.891 122.077 121.223 -0.061 0.000 2.350 89 L HA 0.648 4.988 4.340 -0.000 0.000 0.260 89 L C 0.164 177.106 176.870 0.121 0.000 1.015 89 L CA -0.915 53.953 54.840 0.046 0.000 0.821 89 L CB 2.410 44.469 42.059 0.001 0.000 1.370 89 L HN 0.954 nan 8.230 nan 0.000 0.416 90 T N -3.850 110.828 114.554 0.206 0.000 2.816 90 T HA 0.113 4.463 4.350 -0.000 0.000 0.282 90 T C 0.661 175.456 174.700 0.159 0.000 0.993 90 T CA -0.203 61.990 62.100 0.154 0.000 0.994 90 T CB 0.720 69.674 68.868 0.143 0.000 1.025 90 T HN 0.742 nan 8.240 nan 0.000 0.529 91 D N -0.152 120.307 120.400 0.098 0.000 2.403 91 D HA 0.007 4.647 4.640 -0.000 0.000 0.227 91 D C 1.815 178.155 176.300 0.067 0.000 0.995 91 D CA 0.812 54.861 54.000 0.081 0.000 0.928 91 D CB -0.611 40.219 40.800 0.051 0.000 0.887 91 D HN 0.663 nan 8.370 nan 0.000 0.529 92 A N -0.469 122.384 122.820 0.055 0.000 2.067 92 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 92 A C 1.128 178.621 177.584 -0.152 0.000 1.158 92 A CA 0.536 52.536 52.037 -0.062 0.000 0.661 92 A CB -0.775 18.159 19.000 -0.109 0.000 0.801 92 A HN 0.397 nan 8.150 nan 0.000 0.452 93 Y N -0.097 120.263 120.300 0.100 0.000 2.625 93 Y HA 0.166 4.716 4.550 -0.000 0.000 0.285 93 Y C 1.671 177.625 175.900 0.090 0.000 1.168 93 Y CA -0.193 57.978 58.100 0.118 0.000 1.250 93 Y CB 0.129 38.676 38.460 0.145 0.000 1.130 93 Y HN 0.422 nan 8.280 nan 0.000 0.526 94 E N -0.272 120.021 120.200 0.155 0.000 2.204 94 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 94 E C 1.980 178.647 176.600 0.111 0.000 0.990 94 E CA 1.454 57.922 56.400 0.114 0.000 0.821 94 E CB -0.159 29.583 29.700 0.070 0.000 0.750 94 E HN 0.650 nan 8.360 nan 0.000 0.477 95 C N -0.545 118.821 119.300 0.109 0.000 2.511 95 C HA 0.135 4.595 4.460 -0.000 0.000 0.277 95 C C 1.714 176.793 174.990 0.149 0.000 1.451 95 C CA -0.243 58.836 59.018 0.101 0.000 1.735 95 C CB -0.963 26.818 27.740 0.067 0.000 1.704 95 C HN 0.234 nan 8.230 nan 0.000 0.571 96 L N 0.816 122.168 121.223 0.216 0.000 2.910 96 L HA 0.205 4.545 4.340 -0.000 0.000 0.252 96 L C 1.624 178.601 176.870 0.179 0.000 1.195 96 L CA 0.249 55.238 54.840 0.248 0.000 1.003 96 L CB -0.322 41.977 42.059 0.401 0.000 1.328 96 L HN 0.204 nan 8.230 nan 0.000 0.540 97 D N 1.324 121.805 120.400 0.136 0.000 2.309 97 D HA -0.138 4.502 4.640 -0.000 0.000 0.212 97 D C 1.674 178.026 176.300 0.086 0.000 0.968 97 D CA 1.097 55.158 54.000 0.102 0.000 0.882 97 D CB 0.497 41.343 40.800 0.077 0.000 0.918 97 D HN 0.291 nan 8.370 nan 0.000 0.503 98 A N -1.070 121.800 122.820 0.083 0.000 2.465 98 A HA 0.362 4.682 4.320 -0.000 0.000 0.255 98 A C 1.031 178.663 177.584 0.080 0.000 1.274 98 A CA -0.263 51.806 52.037 0.052 0.000 0.920 98 A CB 0.503 19.513 19.000 0.016 0.000 1.033 98 A HN 0.049 nan 8.150 nan 0.000 0.516 99 S N -0.579 115.203 115.700 0.136 0.000 2.835 99 S HA 0.185 4.655 4.470 -0.000 0.000 0.248 99 S C 1.164 175.846 174.600 0.138 0.000 1.070 99 S CA -0.474 57.852 58.200 0.210 0.000 1.090 99 S CB 0.031 63.406 63.200 0.291 0.000 0.978 99 S HN 0.580 nan 8.310 nan 0.000 0.510 100 R N 1.730 122.295 120.500 0.109 0.000 2.115 100 R HA -0.018 4.322 4.340 -0.000 0.000 0.230 100 R C -1.120 175.220 176.300 0.066 0.000 1.111 100 R CA 1.164 57.333 56.100 0.113 0.000 0.976 100 R CB -1.180 29.280 30.300 0.267 0.000 0.870 100 R HN 0.282 nan 8.270 nan 0.000 0.445 101 P HA -0.148 nan 4.420 nan 0.000 0.220 101 P C 0.393 177.537 177.300 -0.261 0.000 1.148 101 P CA 1.016 64.019 63.100 -0.161 0.000 0.803 101 P CB -0.041 31.476 31.700 -0.305 0.000 0.782 102 W N -0.573 120.500 121.300 -0.377 0.000 2.379 102 W HA -0.093 4.567 4.660 -0.000 0.000 0.307 102 W C 2.146 178.054 176.519 -1.019 0.000 1.200 102 W CA 0.418 57.266 57.345 -0.829 0.000 1.297 102 W CB -0.868 27.909 29.460 -1.140 0.000 1.140 102 W HN -0.155 nan 8.180 nan 0.000 0.507 103 L N -0.781 120.213 121.223 -0.381 0.000 2.043 103 L HA -0.328 4.012 4.340 -0.000 0.000 0.212 103 L C 2.391 179.166 176.870 -0.159 0.000 1.075 103 L CA 1.333 56.074 54.840 -0.165 0.000 0.752 103 L CB -1.080 40.873 42.059 -0.177 0.000 0.891 103 L HN 0.125 nan 8.230 nan 0.000 0.432 104 C N -1.409 117.805 119.300 -0.143 0.000 2.436 104 C HA -0.241 4.219 4.460 -0.000 0.000 0.277 104 C C 2.717 177.663 174.990 -0.073 0.000 1.241 104 C CA 0.734 59.686 59.018 -0.111 0.000 1.721 104 C CB -0.896 26.808 27.740 -0.059 0.000 2.043 104 C HN 0.559 nan 8.230 nan 0.000 0.472 105 Y N 0.889 121.078 120.300 -0.186 0.000 2.097 105 Y HA -0.230 4.320 4.550 -0.000 0.000 0.282 105 Y C 2.369 178.315 175.900 0.075 0.000 1.152 105 Y CA 1.667 59.692 58.100 -0.126 0.000 1.136 105 Y CB -0.757 37.567 38.460 -0.226 0.000 0.975 105 Y HN 0.394 nan 8.280 nan 0.000 0.498 106 W N 0.567 121.771 121.300 -0.160 0.000 2.318 106 W HA -0.253 4.407 4.660 -0.000 0.000 0.313 106 W C 2.515 178.892 176.519 -0.238 0.000 1.221 106 W CA 1.593 58.778 57.345 -0.267 0.000 1.266 106 W CB -1.338 28.155 29.460 0.055 0.000 1.150 106 W HN 0.221 nan 8.180 nan 0.000 0.496 107 I N -0.675 119.930 120.570 0.059 0.000 2.193 107 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 107 I C 2.351 178.426 176.117 -0.071 0.000 1.084 107 I CA 0.742 62.021 61.300 -0.034 0.000 1.365 107 I CB -0.914 36.969 38.000 -0.195 0.000 1.064 107 I HN -0.182 nan 8.210 nan 0.000 0.410 108 L N 0.420 121.588 121.223 -0.091 0.000 2.079 108 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 108 L C 2.620 179.454 176.870 -0.059 0.000 1.081 108 L CA 1.975 56.774 54.840 -0.068 0.000 0.752 108 L CB -1.640 40.386 42.059 -0.056 0.000 0.896 108 L HN 0.344 nan 8.230 nan 0.000 0.433 109 H N -1.090 117.824 119.070 -0.260 0.000 2.395 109 H HA -0.039 4.517 4.556 -0.000 0.000 0.299 109 H C 2.298 177.506 175.328 -0.199 0.000 1.070 109 H CA 1.605 57.480 56.048 -0.288 0.000 1.356 109 H CB 0.238 29.631 29.762 -0.615 0.000 1.401 109 H HN 0.188 nan 8.280 nan 0.000 0.524 110 S N 0.030 115.570 115.700 -0.267 0.000 2.356 110 S HA -0.106 4.364 4.470 -0.000 0.000 0.223 110 S C 2.297 176.818 174.600 -0.133 0.000 1.032 110 S CA 1.293 59.351 58.200 -0.237 0.000 1.005 110 S CB -0.299 62.845 63.200 -0.093 0.000 0.867 110 S HN 0.367 nan 8.310 nan 0.000 0.449 111 L N 1.279 122.471 121.223 -0.051 0.000 2.083 111 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 111 L C 2.697 179.559 176.870 -0.013 0.000 1.083 111 L CA 1.410 56.269 54.840 0.032 0.000 0.752 111 L CB -0.549 41.549 42.059 0.064 0.000 0.899 111 L HN 0.422 nan 8.230 nan 0.000 0.433 112 E N 0.888 121.047 120.200 -0.069 0.000 2.051 112 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 112 E C 2.350 178.896 176.600 -0.091 0.000 0.991 112 E CA 1.247 57.611 56.400 -0.059 0.000 0.799 112 E CB -0.088 29.595 29.700 -0.029 0.000 0.748 112 E HN 0.448 nan 8.360 nan 0.000 0.449 113 L N 0.565 121.664 121.223 -0.205 0.000 2.083 113 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 113 L C 2.409 179.241 176.870 -0.064 0.000 1.083 113 L CA 0.802 55.542 54.840 -0.167 0.000 0.752 113 L CB -0.165 41.719 42.059 -0.292 0.000 0.899 113 L HN 0.260 nan 8.230 nan 0.000 0.433 114 L N -0.682 120.514 121.223 -0.045 0.000 2.610 114 L HA -0.057 4.283 4.340 -0.000 0.000 0.232 114 L C 0.296 177.165 176.870 -0.002 0.000 1.149 114 L CA 0.055 54.899 54.840 0.006 0.000 0.872 114 L CB -0.459 41.637 42.059 0.061 0.000 0.992 114 L HN 0.288 nan 8.230 nan 0.000 0.447 115 D N 1.252 121.646 120.400 -0.010 0.000 2.705 115 D HA -0.172 4.468 4.640 -0.000 0.000 0.240 115 D C -0.197 176.086 176.300 -0.028 0.000 1.137 115 D CA 0.591 54.583 54.000 -0.014 0.000 0.677 115 D CB -0.319 40.474 40.800 -0.012 0.000 1.049 115 D HN 0.254 nan 8.370 nan 0.000 0.427 116 E N 1.064 121.261 120.200 -0.005 0.000 2.176 116 E HA 0.389 4.739 4.350 -0.000 0.000 0.267 116 E C -2.039 174.581 176.600 0.034 0.000 0.893 116 E CA -1.660 54.736 56.400 -0.005 0.000 0.761 116 E CB 1.524 31.276 29.700 0.087 0.000 1.133 116 E HN 0.244 nan 8.360 nan 0.000 0.409 117 P HA 0.229 nan 4.420 nan 0.000 0.271 117 P C -0.306 177.019 177.300 0.041 0.000 1.218 117 P CA -0.451 62.660 63.100 0.019 0.000 0.780 117 P CB 0.814 32.514 31.700 0.001 0.000 0.901 118 I N 4.921 125.500 120.570 0.015 0.000 2.287 118 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 118 I C -1.955 174.158 176.117 -0.006 0.000 1.069 118 I CA -2.302 59.001 61.300 0.005 0.000 1.237 118 I CB 0.067 38.057 38.000 -0.017 0.000 1.418 118 I HN 0.178 nan 8.210 nan 0.000 0.481 119 P HA 0.011 nan 4.420 nan 0.000 0.262 119 P C 0.550 177.838 177.300 -0.021 0.000 1.182 119 P CA 0.016 63.113 63.100 -0.006 0.000 0.761 119 P CB 0.453 32.153 31.700 0.000 0.000 0.795 120 Q N 1.685 121.471 119.800 -0.024 0.000 2.308 120 Q HA -0.205 4.135 4.340 -0.000 0.000 0.209 120 Q C 1.606 177.587 176.000 -0.032 0.000 0.985 120 Q CA 1.031 56.814 55.803 -0.033 0.000 0.881 120 Q CB -0.381 28.338 28.738 -0.032 0.000 0.917 120 Q HN 0.478 nan 8.270 nan 0.000 0.443 121 I N -0.739 119.816 120.570 -0.026 0.000 2.500 121 I HA -0.159 4.010 4.170 -0.000 0.000 0.252 121 I C 1.774 177.872 176.117 -0.032 0.000 1.142 121 I CA 0.863 62.147 61.300 -0.026 0.000 1.451 121 I CB 0.128 38.115 38.000 -0.022 0.000 1.093 121 I HN -0.104 nan 8.210 nan 0.000 0.430 122 V N 1.104 120.996 119.914 -0.035 0.000 2.379 122 V HA -0.151 3.968 4.120 -0.000 0.000 0.245 122 V C 2.765 178.831 176.094 -0.046 0.000 1.044 122 V CA 1.529 63.801 62.300 -0.047 0.000 1.036 122 V CB -1.433 30.360 31.823 -0.050 0.000 0.664 122 V HN 0.514 nan 8.190 nan 0.000 0.453 123 A N -0.308 122.485 122.820 -0.044 0.000 1.908 123 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 123 A C 2.487 180.044 177.584 -0.045 0.000 1.181 123 A CA 2.740 54.746 52.037 -0.051 0.000 0.627 123 A CB -1.041 17.923 19.000 -0.061 0.000 0.818 123 A HN 0.475 nan 8.150 nan 0.000 0.445 124 T N -0.956 113.575 114.554 -0.038 0.000 2.821 124 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 124 T C 1.519 176.213 174.700 -0.009 0.000 1.046 124 T CA 1.744 63.827 62.100 -0.028 0.000 1.139 124 T CB -0.542 68.310 68.868 -0.026 0.000 0.871 124 T HN 0.453 nan 8.240 nan 0.000 0.454 125 D N 0.578 120.971 120.400 -0.012 0.000 2.144 125 D HA -0.040 4.600 4.640 -0.000 0.000 0.200 125 D C 2.251 178.575 176.300 0.039 0.000 0.978 125 D CA 0.811 54.814 54.000 0.004 0.000 0.833 125 D CB -0.365 40.420 40.800 -0.026 0.000 0.961 125 D HN 0.323 nan 8.370 nan 0.000 0.470 126 V N 0.799 120.722 119.914 0.015 0.000 2.295 126 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 126 V C 2.752 178.887 176.094 0.067 0.000 1.049 126 V CA 1.222 63.551 62.300 0.049 0.000 1.024 126 V CB -0.581 31.235 31.823 -0.012 0.000 0.648 126 V HN 0.276 nan 8.190 nan 0.000 0.447 127 C N -0.469 118.840 119.300 0.015 0.000 2.413 127 C HA -0.226 4.234 4.460 -0.000 0.000 0.276 127 C C 2.876 177.886 174.990 0.032 0.000 1.236 127 C CA 1.261 60.282 59.018 0.006 0.000 1.735 127 C CB -1.110 26.619 27.740 -0.017 0.000 2.031 127 C HN 0.603 nan 8.230 nan 0.000 0.474 128 Q N -0.973 118.855 119.800 0.047 0.000 2.167 128 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 128 Q C 1.987 178.037 176.000 0.083 0.000 0.970 128 Q CA 1.440 57.275 55.803 0.054 0.000 0.855 128 Q CB -0.287 28.482 28.738 0.051 0.000 0.911 128 Q HN 0.777 nan 8.270 nan 0.000 0.438 129 F N 0.876 120.813 119.950 -0.023 0.000 2.163 129 F HA -0.092 4.435 4.527 -0.000 0.000 0.297 129 F C 1.571 177.369 175.800 -0.003 0.000 1.094 129 F CA 1.062 59.048 58.000 -0.024 0.000 1.290 129 F CB -0.058 38.912 39.000 -0.050 0.000 1.017 129 F HN -0.052 nan 8.300 nan 0.000 0.483 130 L N -0.120 120.992 121.223 -0.185 0.000 2.275 130 L HA -0.134 4.206 4.340 -0.000 0.000 0.215 130 L C 2.337 179.204 176.870 -0.005 0.000 1.119 130 L CA 1.139 55.852 54.840 -0.211 0.000 0.790 130 L CB -0.693 41.275 42.059 -0.151 0.000 0.919 130 L HN 0.230 nan 8.230 nan 0.000 0.443 131 E N 0.597 120.786 120.200 -0.018 0.000 2.072 131 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 131 E C 2.338 178.894 176.600 -0.074 0.000 0.985 131 E CA 0.856 57.257 56.400 0.001 0.000 0.801 131 E CB 0.056 29.757 29.700 0.002 0.000 0.750 131 E HN 0.460 nan 8.360 nan 0.000 0.452 132 L N 0.040 121.185 121.223 -0.129 0.000 2.141 132 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 132 L C 2.501 179.262 176.870 -0.181 0.000 1.094 132 L CA 0.559 55.315 54.840 -0.140 0.000 0.763 132 L CB -0.230 41.751 42.059 -0.131 0.000 0.908 132 L HN 0.345 nan 8.230 nan 0.000 0.437 133 C N -0.993 118.152 119.300 -0.258 0.000 2.446 133 C HA -0.088 4.372 4.460 -0.000 0.000 0.279 133 C C 1.633 176.570 174.990 -0.088 0.000 1.366 133 C CA -0.332 58.573 59.018 -0.187 0.000 1.763 133 C CB -0.748 26.846 27.740 -0.243 0.000 1.929 133 C HN 0.420 nan 8.230 nan 0.000 0.509 134 Q N 1.552 121.269 119.800 -0.137 0.000 2.311 134 Q HA 0.113 4.453 4.340 -0.000 0.000 0.272 134 Q C 0.224 176.019 176.000 -0.342 0.000 1.012 134 Q CA 0.185 55.691 55.803 -0.494 0.000 0.891 134 Q CB 0.558 28.908 28.738 -0.647 0.000 1.201 134 Q HN 0.474 nan 8.270 nan 0.000 0.391 135 S N 3.838 119.308 115.700 -0.383 0.000 2.584 135 S HA 0.261 4.731 4.470 -0.000 0.000 0.273 135 S C -1.828 172.631 174.600 -0.235 0.000 1.311 135 S CA -1.487 56.555 58.200 -0.263 0.000 1.034 135 S CB 0.827 63.851 63.200 -0.294 0.000 0.939 135 S HN 0.597 nan 8.310 nan 0.000 0.513 136 P HA -0.007 nan 4.420 nan 0.000 0.220 136 P C 0.083 177.311 177.300 -0.119 0.000 1.148 136 P CA 0.947 63.974 63.100 -0.122 0.000 0.803 136 P CB 0.104 31.754 31.700 -0.083 0.000 0.782 137 D N -0.985 119.334 120.400 -0.134 0.000 2.342 137 D HA 0.285 4.925 4.640 -0.000 0.000 0.221 137 D C 0.887 177.124 176.300 -0.105 0.000 1.101 137 D CA 0.460 54.403 54.000 -0.096 0.000 0.837 137 D CB 0.247 41.006 40.800 -0.068 0.000 0.938 137 D HN 0.087 nan 8.370 nan 0.000 0.508 138 G N -0.214 108.460 108.800 -0.210 0.000 2.770 138 G HA2 0.404 4.364 3.960 -0.000 0.000 0.686 138 G HA3 0.404 4.364 3.960 -0.000 0.000 0.686 138 G C 0.201 174.783 174.900 -0.531 0.000 1.180 138 G CA -0.416 44.543 45.100 -0.234 0.000 0.767 138 G HN 0.590 nan 8.290 nan 0.000 0.646 139 G N -0.461 108.062 108.800 -0.462 0.000 2.796 139 G HA2 0.342 4.302 3.960 -0.000 0.000 0.571 139 G HA3 0.342 4.302 3.960 -0.000 0.000 0.571 139 G C -0.444 174.081 174.900 -0.625 0.000 1.370 139 G CA 0.095 44.915 45.100 -0.468 0.000 0.856 139 G HN 1.746 nan 8.290 nan 0.000 0.538 140 F N 0.380 120.200 119.950 -0.215 0.000 2.522 140 F HA 0.710 5.237 4.527 -0.000 0.000 0.324 140 F C 1.113 176.829 175.800 -0.140 0.000 1.077 140 F CA 0.199 58.089 58.000 -0.183 0.000 0.944 140 F CB 2.097 40.987 39.000 -0.183 0.000 1.175 140 F HN 0.808 nan 8.300 nan 0.000 0.468 141 G N -0.067 108.759 108.800 0.043 0.000 2.552 141 G HA2 0.438 4.398 3.960 -0.000 0.000 0.318 141 G HA3 0.438 4.398 3.960 -0.000 0.000 0.318 141 G C 0.843 175.745 174.900 0.004 0.000 1.240 141 G CA -0.427 44.689 45.100 0.028 0.000 1.002 141 G HN 0.899 nan 8.290 nan 0.000 0.493 142 G N -1.675 107.123 108.800 -0.004 0.000 2.559 142 G HA2 0.428 4.388 3.960 -0.000 0.000 0.216 142 G HA3 0.428 4.388 3.960 -0.000 0.000 0.216 142 G C 0.714 175.624 174.900 0.017 0.000 1.126 142 G CA 1.122 46.221 45.100 -0.002 0.000 0.778 142 G HN 1.272 nan 8.290 nan 0.000 0.543 143 G N -1.526 107.266 108.800 -0.013 0.000 2.441 143 G HA2 0.469 4.429 3.960 -0.000 0.000 0.294 143 G HA3 0.469 4.429 3.960 -0.000 0.000 0.294 143 G C -3.392 171.473 174.900 -0.059 0.000 1.393 143 G CA -0.975 44.124 45.100 -0.003 0.000 0.796 143 G HN -0.119 nan 8.290 nan 0.000 0.494 144 P HA 0.287 nan 4.420 nan 0.000 0.260 144 P C 1.000 178.286 177.300 -0.024 0.000 1.185 144 P CA 2.123 65.194 63.100 -0.049 0.000 0.763 144 P CB 0.778 32.486 31.700 0.012 0.000 0.776 145 G N 2.134 110.917 108.800 -0.028 0.000 2.179 145 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 145 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 145 G C 0.126 175.025 174.900 -0.002 0.000 0.977 145 G CA -0.288 44.809 45.100 -0.004 0.000 0.641 145 G HN 0.552 nan 8.290 nan 0.000 0.533 146 Q N -0.379 119.410 119.800 -0.019 0.000 2.299 146 Q HA 0.495 4.835 4.340 -0.000 0.000 0.246 146 Q C 0.220 176.274 176.000 0.090 0.000 0.935 146 Q CA -0.642 55.136 55.803 -0.041 0.000 0.887 146 Q CB 0.868 29.579 28.738 -0.044 0.000 1.223 146 Q HN 0.515 nan 8.270 nan 0.000 0.439 147 Y N 2.232 122.522 120.300 -0.018 0.000 2.652 147 Y HA 0.017 4.567 4.550 -0.000 0.000 0.344 147 Y C -1.524 174.361 175.900 -0.025 0.000 1.254 147 Y CA -1.844 56.248 58.100 -0.015 0.000 1.480 147 Y CB 0.028 38.509 38.460 0.036 0.000 1.345 147 Y HN 0.432 nan 8.280 nan 0.000 0.617 148 P HA -0.007 nan 4.420 nan 0.000 0.272 148 P C -1.045 176.370 177.300 0.193 0.000 1.223 148 P CA 0.510 63.549 63.100 -0.102 0.000 0.784 148 P CB 1.176 32.459 31.700 -0.694 0.000 0.923 149 H N 1.777 120.927 119.070 0.134 0.000 3.038 149 H HA 0.185 4.741 4.556 -0.000 0.000 0.362 149 H C 0.712 176.207 175.328 0.278 0.000 1.167 149 H CA -0.553 55.658 56.048 0.271 0.000 1.197 149 H CB 1.547 31.389 29.762 0.134 0.000 1.840 149 H HN 0.211 nan 8.280 nan 0.000 0.540 150 L N 2.733 124.122 121.223 0.277 0.000 2.131 150 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 150 L C 2.487 179.544 176.870 0.313 0.000 1.092 150 L CA 1.540 56.540 54.840 0.266 0.000 0.759 150 L CB -0.437 41.682 42.059 0.100 0.000 0.903 150 L HN 0.668 nan 8.230 nan 0.000 0.435 151 A N 0.845 124.004 122.820 0.565 0.000 1.855 151 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 151 A C -0.087 177.459 177.584 -0.063 0.000 1.191 151 A CA 1.579 53.865 52.037 0.416 0.000 0.613 151 A CB -1.809 17.597 19.000 0.677 0.000 0.829 151 A HN 0.293 nan 8.150 nan 0.000 0.442 152 P HA -0.075 nan 4.420 nan 0.000 0.223 152 P C 1.176 178.314 177.300 -0.269 0.000 1.151 152 P CA 1.519 64.419 63.100 -0.332 0.000 0.787 152 P CB -0.330 31.294 31.700 -0.126 0.000 0.788 153 T N -0.816 113.728 114.554 -0.018 0.000 2.821 153 T HA -0.177 4.172 4.350 -0.000 0.000 0.267 153 T C 1.692 176.313 174.700 -0.132 0.000 1.046 153 T CA 1.120 63.262 62.100 0.070 0.000 1.139 153 T CB -1.003 68.006 68.868 0.234 0.000 0.871 153 T HN 0.114 nan 8.240 nan 0.000 0.454 154 Y N 2.095 122.224 120.300 -0.285 0.000 2.200 154 Y HA 0.077 4.627 4.550 -0.000 0.000 0.290 154 Y C 2.450 178.001 175.900 -0.582 0.000 1.137 154 Y CA 0.785 58.665 58.100 -0.366 0.000 1.163 154 Y CB -0.667 37.617 38.460 -0.292 0.000 0.988 154 Y HN 0.156 nan 8.280 nan 0.000 0.518 155 A N 0.888 123.164 122.820 -0.906 0.000 1.877 155 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 155 A C 2.438 179.581 177.584 -0.736 0.000 1.186 155 A CA 1.952 53.342 52.037 -1.078 0.000 0.620 155 A CB -1.535 16.706 19.000 -1.266 0.000 0.822 155 A HN 0.633 nan 8.150 nan 0.000 0.443 156 A N -0.496 121.888 122.820 -0.727 0.000 1.845 156 A HA -0.013 4.307 4.320 -0.000 0.000 0.215 156 A C 2.231 179.403 177.584 -0.685 0.000 1.195 156 A CA 1.844 53.387 52.037 -0.823 0.000 0.616 156 A CB -1.160 16.895 19.000 -1.576 0.000 0.832 156 A HN 0.425 nan 8.150 nan 0.000 0.443 157 V N 0.878 120.409 119.914 -0.639 0.000 2.282 157 V HA -0.311 3.809 4.120 -0.000 0.000 0.249 157 V C 2.405 178.302 176.094 -0.329 0.000 1.057 157 V CA 2.452 64.525 62.300 -0.379 0.000 1.032 157 V CB -1.141 30.516 31.823 -0.276 0.000 0.645 157 V HN 0.588 nan 8.190 nan 0.000 0.447 158 N N 0.031 118.448 118.700 -0.472 0.000 2.120 158 N HA -0.101 4.639 4.740 -0.000 0.000 0.188 158 N C 1.824 177.241 175.510 -0.155 0.000 1.024 158 N CA 1.614 54.429 53.050 -0.390 0.000 0.852 158 N CB -0.533 37.484 38.487 -0.785 0.000 1.003 158 N HN 0.477 nan 8.380 nan 0.000 0.424 159 A N 0.755 123.474 122.820 -0.168 0.000 1.858 159 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 159 A C 2.273 179.801 177.584 -0.093 0.000 1.190 159 A CA 1.057 53.053 52.037 -0.067 0.000 0.617 159 A CB -0.895 18.032 19.000 -0.122 0.000 0.827 159 A HN 0.274 nan 8.150 nan 0.000 0.443 160 L N -0.791 120.346 121.223 -0.144 0.000 2.079 160 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 160 L C 2.657 179.500 176.870 -0.046 0.000 1.081 160 L CA 1.266 56.048 54.840 -0.096 0.000 0.752 160 L CB -0.682 41.334 42.059 -0.071 0.000 0.896 160 L HN 0.507 nan 8.230 nan 0.000 0.433 161 C N -0.331 118.969 119.300 -0.000 0.000 2.450 161 C HA -0.068 4.392 4.460 -0.000 0.000 0.279 161 C C 2.705 177.713 174.990 0.031 0.000 1.335 161 C CA 0.156 59.226 59.018 0.086 0.000 1.749 161 C CB -0.534 27.233 27.740 0.046 0.000 1.963 161 C HN 0.429 nan 8.230 nan 0.000 0.501 162 I N 0.716 121.290 120.570 0.007 0.000 2.286 162 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 162 I C 2.233 178.336 176.117 -0.023 0.000 1.115 162 I CA 1.664 62.977 61.300 0.021 0.000 1.392 162 I CB -0.312 37.714 38.000 0.043 0.000 1.065 162 I HN 0.321 nan 8.210 nan 0.000 0.418 163 I N 0.508 121.038 120.570 -0.067 0.000 2.202 163 I HA -0.159 4.011 4.170 -0.000 0.000 0.242 163 I C 1.895 177.906 176.117 -0.176 0.000 1.091 163 I CA 1.249 62.483 61.300 -0.110 0.000 1.368 163 I CB -0.756 37.167 38.000 -0.128 0.000 1.058 163 I HN 0.435 nan 8.210 nan 0.000 0.410 164 G N 1.694 110.333 108.800 -0.268 0.000 2.203 164 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.263 164 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.263 164 G C 0.453 174.920 174.900 -0.722 0.000 1.012 164 G CA 0.644 45.472 45.100 -0.453 0.000 0.749 164 G HN 0.522 nan 8.290 nan 0.000 0.512 165 T N -3.296 110.859 114.554 -0.665 0.000 2.881 165 T HA 0.627 4.977 4.350 -0.000 0.000 0.278 165 T C 1.120 175.410 174.700 -0.684 0.000 0.982 165 T CA 0.423 62.221 62.100 -0.504 0.000 0.989 165 T CB 1.902 70.602 68.868 -0.279 0.000 1.058 165 T HN 0.159 nan 8.240 nan 0.000 0.529 166 E N 0.061 120.050 120.200 -0.351 0.000 2.153 166 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 166 E C 1.959 178.469 176.600 -0.150 0.000 0.988 166 E CA 1.678 57.957 56.400 -0.200 0.000 0.811 166 E CB -0.227 29.439 29.700 -0.057 0.000 0.746 166 E HN 0.855 nan 8.360 nan 0.000 0.466 167 E N -0.314 119.793 120.200 -0.155 0.000 2.051 167 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 167 E C 1.961 178.510 176.600 -0.085 0.000 0.991 167 E CA 1.164 57.511 56.400 -0.090 0.000 0.799 167 E CB -0.274 29.377 29.700 -0.082 0.000 0.748 167 E HN 0.323 nan 8.360 nan 0.000 0.449 168 A N 0.599 123.311 122.820 -0.180 0.000 1.865 168 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 168 A C 2.067 179.657 177.584 0.010 0.000 1.191 168 A CA 1.648 53.604 52.037 -0.135 0.000 0.623 168 A CB -1.308 17.541 19.000 -0.251 0.000 0.826 168 A HN 0.535 nan 8.150 nan 0.000 0.444 169 Y N 0.344 120.623 120.300 -0.035 0.000 2.114 169 Y HA -0.269 4.281 4.550 -0.000 0.000 0.282 169 Y C 2.396 178.395 175.900 0.165 0.000 1.165 169 Y CA 0.951 59.084 58.100 0.055 0.000 1.148 169 Y CB -0.303 37.912 38.460 -0.409 0.000 0.972 169 Y HN 0.335 nan 8.280 nan 0.000 0.504 170 N N -0.095 118.741 118.700 0.225 0.000 2.453 170 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 170 N C 1.732 177.336 175.510 0.158 0.000 1.041 170 N CA 0.679 53.839 53.050 0.183 0.000 0.900 170 N CB -0.328 38.224 38.487 0.108 0.000 0.961 170 N HN 0.190 nan 8.380 nan 0.000 0.443 171 V N 1.610 121.618 119.914 0.155 0.000 2.407 171 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 171 V C 1.169 177.370 176.094 0.178 0.000 1.055 171 V CA 0.828 63.214 62.300 0.143 0.000 1.049 171 V CB -0.270 31.643 31.823 0.149 0.000 0.662 171 V HN 0.219 nan 8.190 nan 0.000 0.455 172 I N 2.231 122.953 120.570 0.252 0.000 2.494 172 I HA 0.027 4.197 4.170 -0.000 0.000 0.289 172 I C 0.564 176.753 176.117 0.120 0.000 1.106 172 I CA 0.190 61.627 61.300 0.228 0.000 1.369 172 I CB -0.201 37.947 38.000 0.247 0.000 1.410 172 I HN 0.172 nan 8.210 nan 0.000 0.523 173 N N 7.301 126.004 118.700 0.005 0.000 2.448 173 N HA 0.090 4.830 4.740 -0.000 0.000 0.250 173 N C 1.037 176.548 175.510 0.001 0.000 1.136 173 N CA 0.066 53.112 53.050 -0.008 0.000 0.953 173 N CB 0.492 38.935 38.487 -0.073 0.000 1.251 173 N HN 0.472 nan 8.380 nan 0.000 0.502 174 R N 2.088 122.615 120.500 0.046 0.000 2.096 174 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 174 R C 0.894 177.211 176.300 0.028 0.000 1.127 174 R CA 1.503 57.624 56.100 0.034 0.000 0.968 174 R CB 0.200 30.543 30.300 0.071 0.000 0.861 174 R HN 0.499 nan 8.270 nan 0.000 0.440 175 E N 0.498 120.715 120.200 0.029 0.000 2.072 175 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 175 E C 1.777 178.396 176.600 0.031 0.000 0.985 175 E CA 0.937 57.356 56.400 0.031 0.000 0.801 175 E CB 0.072 29.785 29.700 0.021 0.000 0.750 175 E HN 0.042 nan 8.360 nan 0.000 0.452 176 K N 0.292 120.696 120.400 0.007 0.000 2.155 176 K HA -0.035 4.285 4.320 -0.000 0.000 0.203 176 K C 2.070 178.691 176.600 0.035 0.000 1.052 176 K CA 0.416 56.704 56.287 0.002 0.000 0.948 176 K CB -0.403 32.064 32.500 -0.054 0.000 0.728 176 K HN 0.131 nan 8.250 nan 0.000 0.448 177 L N 1.365 122.598 121.223 0.018 0.000 2.017 177 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 177 L C 2.143 179.070 176.870 0.096 0.000 1.073 177 L CA 1.373 56.247 54.840 0.056 0.000 0.745 177 L CB -0.792 41.279 42.059 0.021 0.000 0.894 177 L HN 0.065 nan 8.230 nan 0.000 0.432 178 L N -0.381 120.884 121.223 0.069 0.000 2.046 178 L HA -0.237 4.102 4.340 -0.000 0.000 0.208 178 L C 2.576 179.552 176.870 0.177 0.000 1.077 178 L CA 2.211 57.098 54.840 0.078 0.000 0.747 178 L CB -0.960 41.161 42.059 0.104 0.000 0.896 178 L HN 0.602 nan 8.230 nan 0.000 0.432 179 Q N -1.899 118.006 119.800 0.175 0.000 2.050 179 Q HA -0.301 4.039 4.340 -0.000 0.000 0.202 179 Q C 2.310 178.422 176.000 0.186 0.000 0.980 179 Q CA 2.179 58.091 55.803 0.181 0.000 0.840 179 Q CB -0.470 28.325 28.738 0.096 0.000 0.898 179 Q HN 0.640 nan 8.270 nan 0.000 0.424 180 Y N 0.456 120.777 120.300 0.035 0.000 2.181 180 Y HA -0.228 4.322 4.550 -0.000 0.000 0.288 180 Y C 1.729 177.652 175.900 0.038 0.000 1.146 180 Y CA 1.212 59.322 58.100 0.017 0.000 1.164 180 Y CB -0.343 38.108 38.460 -0.015 0.000 0.982 180 Y HN 0.170 nan 8.280 nan 0.000 0.515 181 L N -0.622 120.571 121.223 -0.052 0.000 2.042 181 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 181 L C 2.214 179.025 176.870 -0.097 0.000 1.076 181 L CA 1.849 56.606 54.840 -0.138 0.000 0.749 181 L CB -1.469 40.501 42.059 -0.147 0.000 0.893 181 L HN 0.305 nan 8.230 nan 0.000 0.432 182 Y N -0.693 119.560 120.300 -0.078 0.000 2.293 182 Y HA -0.235 4.315 4.550 -0.000 0.000 0.291 182 Y C 2.759 178.568 175.900 -0.152 0.000 1.137 182 Y CA 1.300 59.330 58.100 -0.116 0.000 1.202 182 Y CB -0.249 38.154 38.460 -0.095 0.000 0.990 182 Y HN 0.339 nan 8.280 nan 0.000 0.537 183 S N -0.530 115.170 115.700 0.001 0.000 2.515 183 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 183 S C 1.433 175.942 174.600 -0.151 0.000 0.987 183 S CA 0.874 59.033 58.200 -0.068 0.000 0.936 183 S CB -0.567 62.607 63.200 -0.044 0.000 0.766 183 S HN 0.493 nan 8.310 nan 0.000 0.528 184 L N -0.470 120.631 121.223 -0.203 0.000 2.556 184 L HA 0.327 4.667 4.340 -0.000 0.000 0.226 184 L C 1.105 177.825 176.870 -0.251 0.000 1.089 184 L CA -0.185 54.535 54.840 -0.199 0.000 0.864 184 L CB -0.140 41.800 42.059 -0.199 0.000 1.067 184 L HN 0.059 nan 8.230 nan 0.000 0.477 185 K N 1.862 122.031 120.400 -0.385 0.000 2.489 185 K HA 0.069 4.388 4.320 -0.000 0.000 0.278 185 K C -0.222 176.090 176.600 -0.480 0.000 1.000 185 K CA 0.430 56.260 56.287 -0.762 0.000 1.012 185 K CB 0.637 32.726 32.500 -0.685 0.000 0.903 185 K HN -0.019 nan 8.250 nan 0.000 0.485 186 Q N 3.216 122.702 119.800 -0.522 0.000 2.248 186 Q HA 0.319 4.659 4.340 -0.000 0.000 0.263 186 Q C -1.658 174.178 176.000 -0.273 0.000 1.007 186 Q CA -2.123 53.480 55.803 -0.332 0.000 0.877 186 Q CB 0.638 29.185 28.738 -0.319 0.000 1.315 186 Q HN 0.264 nan 8.270 nan 0.000 0.454 187 P HA -0.139 nan 4.420 nan 0.000 0.218 187 P C 0.361 177.605 177.300 -0.093 0.000 1.149 187 P CA 1.268 64.297 63.100 -0.119 0.000 0.817 187 P CB 0.267 31.919 31.700 -0.079 0.000 0.785 188 D N -1.724 118.623 120.400 -0.088 0.000 2.352 188 D HA 0.055 4.695 4.640 -0.000 0.000 0.232 188 D C 1.416 177.714 176.300 -0.004 0.000 1.055 188 D CA 0.699 54.697 54.000 -0.004 0.000 0.891 188 D CB -0.877 39.969 40.800 0.077 0.000 0.897 188 D HN 0.250 nan 8.370 nan 0.000 0.529 189 G N -0.152 108.562 108.800 -0.144 0.000 2.213 189 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.236 189 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.236 189 G C 0.493 175.195 174.900 -0.330 0.000 0.991 189 G CA 0.355 45.370 45.100 -0.142 0.000 0.629 189 G HN 0.788 nan 8.290 nan 0.000 0.517 190 S N -0.329 114.973 115.700 -0.663 0.000 2.686 190 S HA 0.835 5.305 4.470 -0.000 0.000 0.270 190 S C -0.316 173.902 174.600 -0.636 0.000 1.194 190 S CA -0.492 57.159 58.200 -0.915 0.000 0.990 190 S CB 1.509 63.694 63.200 -1.693 0.000 1.029 190 S HN 0.517 nan 8.310 nan 0.000 0.560 191 F N -0.560 119.105 119.950 -0.474 0.000 2.563 191 F HA 0.538 5.065 4.527 -0.000 0.000 0.316 191 F C -0.078 175.551 175.800 -0.285 0.000 1.076 191 F CA -1.053 56.760 58.000 -0.313 0.000 0.921 191 F CB 1.454 40.319 39.000 -0.225 0.000 1.209 191 F HN 0.425 nan 8.300 nan 0.000 0.462 192 L N 3.138 124.320 121.223 -0.069 0.000 2.418 192 L HA 0.192 4.532 4.340 -0.000 0.000 0.265 192 L C 1.246 178.058 176.870 -0.097 0.000 1.143 192 L CA -0.706 54.060 54.840 -0.123 0.000 0.809 192 L CB 0.686 42.641 42.059 -0.174 0.000 1.124 192 L HN 0.671 nan 8.230 nan 0.000 0.456 193 M N 0.636 120.169 119.600 -0.113 0.000 2.229 193 M HA -0.032 4.448 4.480 -0.000 0.000 0.264 193 M C 0.448 176.622 176.300 -0.211 0.000 1.063 193 M CA 1.347 56.564 55.300 -0.137 0.000 1.114 193 M CB -0.983 31.581 32.600 -0.059 0.000 1.387 193 M HN 0.782 nan 8.290 nan 0.000 0.420 194 H N -5.029 113.917 119.070 -0.206 0.000 2.967 194 H HA 0.502 5.058 4.556 -0.000 0.000 0.318 194 H C -0.896 174.435 175.328 0.006 0.000 1.375 194 H CA -1.252 54.765 56.048 -0.051 0.000 1.132 194 H CB 0.573 30.339 29.762 0.006 0.000 1.848 194 H HN -0.246 nan 8.280 nan 0.000 0.524 195 V N 1.549 121.540 119.914 0.129 0.000 2.617 195 V HA 0.252 4.372 4.120 -0.000 0.000 0.304 195 V C 1.581 177.657 176.094 -0.029 0.000 1.040 195 V CA 1.612 63.927 62.300 0.026 0.000 1.149 195 V CB 0.282 32.159 31.823 0.091 0.000 0.914 195 V HN 1.371 nan 8.190 nan 0.000 0.487 196 G N 3.465 112.207 108.800 -0.098 0.000 2.168 196 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.257 196 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.257 196 G C 0.464 175.239 174.900 -0.209 0.000 0.997 196 G CA 0.237 45.290 45.100 -0.079 0.000 0.708 196 G HN 1.360 nan 8.290 nan 0.000 0.520 197 G N -0.834 107.660 108.800 -0.511 0.000 2.753 197 G HA2 0.718 4.677 3.960 -0.000 0.000 0.285 197 G HA3 0.718 4.677 3.960 -0.000 0.000 0.285 197 G C 0.146 174.873 174.900 -0.288 0.000 1.344 197 G CA 0.178 44.843 45.100 -0.724 0.000 1.050 197 G HN 0.601 nan 8.290 nan 0.000 0.532 198 E N -1.106 119.008 120.200 -0.144 0.000 2.312 198 E HA 0.444 4.794 4.350 -0.000 0.000 0.259 198 E C -0.838 175.738 176.600 -0.040 0.000 1.122 198 E CA -0.746 55.630 56.400 -0.039 0.000 0.922 198 E CB 1.569 31.298 29.700 0.047 0.000 1.109 198 E HN 0.546 nan 8.360 nan 0.000 0.442 199 V N 0.779 120.682 119.914 -0.019 0.000 2.604 199 V HA 0.639 4.759 4.120 -0.000 0.000 0.305 199 V C -1.814 174.306 176.094 0.045 0.000 1.043 199 V CA -0.053 62.225 62.300 -0.037 0.000 0.888 199 V CB 1.404 33.154 31.823 -0.122 0.000 0.995 199 V HN 1.001 nan 8.190 nan 0.000 0.429 200 D N 3.048 123.491 120.400 0.071 0.000 2.694 200 D HA 0.120 4.760 4.640 -0.000 0.000 0.260 200 D C 0.172 176.634 176.300 0.272 0.000 1.250 200 D CA -0.071 54.047 54.000 0.197 0.000 0.763 200 D CB 1.491 42.342 40.800 0.086 0.000 1.311 200 D HN 0.356 nan 8.370 nan 0.000 0.420 201 V N 0.688 120.847 119.914 0.409 0.000 2.794 201 V HA -0.224 3.896 4.120 -0.000 0.000 0.260 201 V C 1.994 178.285 176.094 0.328 0.000 1.103 201 V CA 1.965 64.535 62.300 0.450 0.000 1.125 201 V CB -0.650 31.364 31.823 0.319 0.000 0.702 201 V HN 0.561 nan 8.190 nan 0.000 0.494 202 R N 0.374 121.077 120.500 0.339 0.000 2.081 202 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 202 R C 2.591 179.015 176.300 0.206 0.000 1.131 202 R CA 1.651 57.922 56.100 0.284 0.000 0.960 202 R CB -0.540 29.928 30.300 0.279 0.000 0.856 202 R HN 0.763 nan 8.270 nan 0.000 0.436 203 S N 0.712 116.500 115.700 0.147 0.000 2.399 203 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 203 S C 2.224 176.789 174.600 -0.058 0.000 1.022 203 S CA 0.976 59.200 58.200 0.042 0.000 0.983 203 S CB -0.159 63.060 63.200 0.032 0.000 0.803 203 S HN 0.358 nan 8.310 nan 0.000 0.480 204 A N 0.969 123.816 122.820 0.045 0.000 1.877 204 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 204 A C 2.100 179.678 177.584 -0.010 0.000 1.186 204 A CA 1.621 53.684 52.037 0.044 0.000 0.620 204 A CB -1.325 17.805 19.000 0.218 0.000 0.822 204 A HN 0.698 nan 8.150 nan 0.000 0.443 205 Y N 0.289 120.553 120.300 -0.059 0.000 2.133 205 Y HA -0.252 4.298 4.550 -0.000 0.000 0.287 205 Y C 2.613 178.452 175.900 -0.102 0.000 1.134 205 Y CA 1.361 59.404 58.100 -0.096 0.000 1.133 205 Y CB -1.027 37.396 38.460 -0.061 0.000 0.987 205 Y HN 0.373 nan 8.280 nan 0.000 0.502 206 C N 0.748 119.902 119.300 -0.244 0.000 2.398 206 C HA -0.221 4.239 4.460 -0.000 0.000 0.276 206 C C 3.085 177.958 174.990 -0.195 0.000 1.222 206 C CA 1.453 60.308 59.018 -0.272 0.000 1.746 206 C CB -1.869 25.834 27.740 -0.061 0.000 2.039 206 C HN 0.748 nan 8.230 nan 0.000 0.470 207 A N 0.317 122.986 122.820 -0.252 0.000 1.873 207 A HA 0.111 4.431 4.320 -0.000 0.000 0.215 207 A C 2.379 179.920 177.584 -0.072 0.000 1.186 207 A CA 2.053 53.922 52.037 -0.279 0.000 0.616 207 A CB -0.988 17.521 19.000 -0.819 0.000 0.823 207 A HN 0.585 nan 8.150 nan 0.000 0.442 208 A N -0.848 121.868 122.820 -0.174 0.000 1.933 208 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 208 A C 2.474 179.958 177.584 -0.168 0.000 1.175 208 A CA 2.176 54.008 52.037 -0.341 0.000 0.628 208 A CB -0.905 17.762 19.000 -0.555 0.000 0.814 208 A HN 0.558 nan 8.150 nan 0.000 0.444 209 S N -0.400 115.179 115.700 -0.201 0.000 2.356 209 S HA -0.148 4.322 4.470 -0.000 0.000 0.223 209 S C 2.050 176.688 174.600 0.062 0.000 1.032 209 S CA 2.118 60.299 58.200 -0.032 0.000 1.005 209 S CB -0.718 62.369 63.200 -0.189 0.000 0.867 209 S HN 0.947 nan 8.310 nan 0.000 0.449 210 V N 0.168 120.072 119.914 -0.016 0.000 2.488 210 V HA 0.232 4.352 4.120 -0.000 0.000 0.246 210 V C 2.517 178.570 176.094 -0.068 0.000 1.046 210 V CA 1.430 63.697 62.300 -0.055 0.000 1.053 210 V CB -1.547 30.257 31.823 -0.032 0.000 0.679 210 V HN 0.478 nan 8.190 nan 0.000 0.458 211 A N 1.803 124.622 122.820 -0.002 0.000 1.898 211 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 211 A C 2.598 180.194 177.584 0.020 0.000 1.181 211 A CA 2.527 54.585 52.037 0.035 0.000 0.620 211 A CB -0.988 18.133 19.000 0.201 0.000 0.819 211 A HN 0.898 nan 8.150 nan 0.000 0.442 212 S N 0.155 115.876 115.700 0.034 0.000 2.345 212 S HA -0.087 4.383 4.470 -0.000 0.000 0.220 212 S C 1.936 176.517 174.600 -0.032 0.000 1.031 212 S CA 1.391 59.614 58.200 0.037 0.000 0.996 212 S CB -0.862 62.398 63.200 0.101 0.000 0.882 212 S HN 0.412 nan 8.310 nan 0.000 0.445 213 L N 1.943 123.103 121.223 -0.104 0.000 2.079 213 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 213 L C 2.861 179.531 176.870 -0.334 0.000 1.081 213 L CA 1.687 56.385 54.840 -0.236 0.000 0.752 213 L CB -1.077 40.784 42.059 -0.330 0.000 0.896 213 L HN 0.642 nan 8.230 nan 0.000 0.433 214 T N -4.313 109.958 114.554 -0.473 0.000 3.144 214 T HA 0.063 4.412 4.350 -0.000 0.000 0.249 214 T C 0.780 175.298 174.700 -0.303 0.000 1.089 214 T CA 0.048 61.627 62.100 -0.869 0.000 0.989 214 T CB -0.405 67.987 68.868 -0.795 0.000 0.992 214 T HN 0.330 nan 8.240 nan 0.000 0.540 215 N N 1.451 120.084 118.700 -0.111 0.000 2.667 215 N HA -0.180 4.560 4.740 -0.000 0.000 0.263 215 N C 0.227 175.743 175.510 0.009 0.000 1.038 215 N CA 0.904 53.954 53.050 0.000 0.000 0.749 215 N CB -1.748 36.776 38.487 0.061 0.000 0.892 215 N HN 0.912 nan 8.380 nan 0.000 0.546 216 I N -2.377 118.194 120.570 0.002 0.000 3.966 216 I HA 0.365 4.535 4.170 -0.000 0.000 0.324 216 I C -0.046 176.090 176.117 0.033 0.000 1.517 216 I CA -0.643 60.667 61.300 0.017 0.000 1.117 216 I CB 0.157 38.154 38.000 -0.005 0.000 1.190 216 I HN 0.039 nan 8.210 nan 0.000 0.466 217 I N 4.078 124.688 120.570 0.066 0.000 2.421 217 I HA 0.087 4.257 4.170 -0.000 0.000 0.291 217 I C 1.044 177.208 176.117 0.079 0.000 1.089 217 I CA 0.144 61.507 61.300 0.105 0.000 1.354 217 I CB 0.617 38.735 38.000 0.196 0.000 1.413 217 I HN 0.356 nan 8.210 nan 0.000 0.513 218 T N 3.413 117.996 114.554 0.048 0.000 2.788 218 T HA 0.276 4.626 4.350 -0.000 0.000 0.280 218 T C -1.640 173.106 174.700 0.076 0.000 0.984 218 T CA -1.554 60.592 62.100 0.077 0.000 0.972 218 T CB 0.983 69.937 68.868 0.142 0.000 1.039 218 T HN 0.292 nan 8.240 nan 0.000 0.530 219 P HA -0.006 nan 4.420 nan 0.000 0.220 219 P C 0.877 178.220 177.300 0.071 0.000 1.148 219 P CA 0.906 64.050 63.100 0.072 0.000 0.803 219 P CB 0.029 31.764 31.700 0.058 0.000 0.782 220 D N -1.860 118.581 120.400 0.069 0.000 2.433 220 D HA 0.004 4.644 4.640 -0.000 0.000 0.211 220 D C 1.583 177.870 176.300 -0.022 0.000 1.114 220 D CA -0.197 53.833 54.000 0.051 0.000 0.837 220 D CB -0.734 40.107 40.800 0.068 0.000 0.984 220 D HN -0.015 nan 8.370 nan 0.000 0.505 221 L N 0.135 121.278 121.223 -0.133 0.000 1.990 221 L HA 0.008 4.348 4.340 -0.000 0.000 0.213 221 L C 1.028 177.568 176.870 -0.549 0.000 1.072 221 L CA 1.730 56.266 54.840 -0.508 0.000 0.755 221 L CB -0.691 40.943 42.059 -0.708 0.000 0.889 221 L HN -0.038 nan 8.230 nan 0.000 0.432 222 F N -0.382 119.594 119.950 0.043 0.000 2.819 222 F HA 0.260 4.787 4.527 -0.000 0.000 0.294 222 F C 0.690 176.520 175.800 0.050 0.000 1.166 222 F CA -0.650 57.407 58.000 0.094 0.000 1.374 222 F CB -0.397 38.663 39.000 0.100 0.000 0.956 222 F HN 0.045 nan 8.300 nan 0.000 0.509 223 E N 0.870 121.117 120.200 0.078 0.000 2.406 223 E HA 0.292 4.642 4.350 -0.000 0.000 0.258 223 E C 1.290 177.922 176.600 0.054 0.000 1.043 223 E CA 1.025 57.460 56.400 0.058 0.000 0.929 223 E CB 0.076 29.782 29.700 0.010 0.000 0.969 223 E HN 0.534 nan 8.360 nan 0.000 0.462 224 G N 3.363 112.216 108.800 0.088 0.000 2.184 224 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.264 224 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.264 224 G C 1.137 176.133 174.900 0.159 0.000 0.975 224 G CA 0.696 45.854 45.100 0.097 0.000 0.642 224 G HN 0.604 nan 8.290 nan 0.000 0.536 225 T N 0.877 115.554 114.554 0.205 0.000 2.737 225 T HA 0.175 4.525 4.350 -0.000 0.000 0.265 225 T C 2.807 177.675 174.700 0.280 0.000 1.038 225 T CA 2.320 64.598 62.100 0.297 0.000 1.144 225 T CB -0.460 68.686 68.868 0.463 0.000 0.866 225 T HN 1.198 nan 8.240 nan 0.000 0.434 226 A N 1.497 124.432 122.820 0.192 0.000 1.940 226 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 226 A C 2.201 179.853 177.584 0.115 0.000 1.176 226 A CA 1.811 53.922 52.037 0.124 0.000 0.631 226 A CB -0.541 18.507 19.000 0.079 0.000 0.814 226 A HN 0.441 nan 8.150 nan 0.000 0.446 227 E N -1.643 118.634 120.200 0.128 0.000 2.107 227 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 227 E C 1.559 178.224 176.600 0.108 0.000 0.982 227 E CA 1.111 57.568 56.400 0.094 0.000 0.809 227 E CB -0.332 29.421 29.700 0.087 0.000 0.756 227 E HN 0.844 nan 8.360 nan 0.000 0.459 228 W N 0.836 122.144 121.300 0.014 0.000 2.381 228 W HA -0.083 4.577 4.660 -0.000 0.000 0.301 228 W C 1.608 178.125 176.519 -0.003 0.000 1.205 228 W CA 1.345 58.693 57.345 0.005 0.000 1.285 228 W CB -0.125 29.346 29.460 0.017 0.000 1.133 228 W HN -0.022 nan 8.180 nan 0.000 0.521 229 I N 0.793 121.490 120.570 0.211 0.000 2.226 229 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 229 I C 2.565 178.583 176.117 -0.165 0.000 1.100 229 I CA 1.483 62.795 61.300 0.021 0.000 1.374 229 I CB -1.034 37.052 38.000 0.144 0.000 1.057 229 I HN 0.083 nan 8.210 nan 0.000 0.413 230 A N 0.543 123.301 122.820 -0.104 0.000 2.067 230 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 230 A C 2.318 179.788 177.584 -0.190 0.000 1.158 230 A CA 1.096 53.059 52.037 -0.123 0.000 0.661 230 A CB -0.493 18.468 19.000 -0.066 0.000 0.801 230 A HN 0.317 nan 8.150 nan 0.000 0.452 231 R N -1.087 119.251 120.500 -0.269 0.000 2.235 231 R HA -0.069 4.271 4.340 -0.000 0.000 0.213 231 R C 1.491 177.563 176.300 -0.379 0.000 1.059 231 R CA 1.146 57.061 56.100 -0.308 0.000 0.997 231 R CB -0.494 29.581 30.300 -0.376 0.000 0.884 231 R HN 0.605 nan 8.270 nan 0.000 0.462 232 C N 0.308 119.330 119.300 -0.462 0.000 2.539 232 C HA 0.036 4.496 4.460 -0.000 0.000 0.268 232 C C 1.355 176.154 174.990 -0.318 0.000 1.395 232 C CA -0.356 58.398 59.018 -0.440 0.000 1.757 232 C CB -0.724 26.709 27.740 -0.511 0.000 1.851 232 C HN 0.431 nan 8.230 nan 0.000 0.545 233 Q N 2.684 122.323 119.800 -0.269 0.000 2.304 233 Q HA 0.182 4.522 4.340 -0.000 0.000 0.260 233 Q C 0.049 175.910 176.000 -0.232 0.000 0.965 233 Q CA 0.276 55.923 55.803 -0.259 0.000 0.898 233 Q CB 0.571 29.189 28.738 -0.200 0.000 1.196 233 Q HN 0.698 nan 8.270 nan 0.000 0.402 234 N N 3.427 121.952 118.700 -0.292 0.000 2.906 234 N HA 0.141 4.881 4.740 -0.000 0.000 0.327 234 N C 0.827 176.204 175.510 -0.222 0.000 1.344 234 N CA -0.640 52.277 53.050 -0.222 0.000 0.823 234 N CB -0.395 37.924 38.487 -0.280 0.000 1.351 234 N HN 0.869 nan 8.380 nan 0.000 0.604 235 W N -0.332 120.914 121.300 -0.090 0.000 2.341 235 W HA -0.086 4.574 4.660 -0.000 0.000 0.283 235 W C 0.463 176.961 176.519 -0.034 0.000 1.215 235 W CA 1.026 58.340 57.345 -0.052 0.000 1.211 235 W CB -0.981 28.460 29.460 -0.031 0.000 1.131 235 W HN 0.591 nan 8.180 nan 0.000 0.552 236 E N 0.187 119.852 120.200 -0.893 0.000 2.285 236 E HA 0.115 4.465 4.350 -0.000 0.000 0.194 236 E C 2.127 178.533 176.600 -0.323 0.000 0.997 236 E CA 0.951 56.931 56.400 -0.700 0.000 0.845 236 E CB -0.387 28.735 29.700 -0.964 0.000 0.782 236 E HN 0.448 nan 8.360 nan 0.000 0.491 237 G N 0.631 109.199 108.800 -0.386 0.000 2.259 237 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 237 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 237 G C 0.579 175.198 174.900 -0.468 0.000 1.001 237 G CA -0.198 44.756 45.100 -0.244 0.000 0.627 237 G HN 0.527 nan 8.290 nan 0.000 0.501 238 G N -0.435 107.703 108.800 -1.103 0.000 2.510 238 G HA2 0.658 4.618 3.960 -0.000 0.000 0.280 238 G HA3 0.658 4.618 3.960 -0.000 0.000 0.280 238 G C -0.207 174.187 174.900 -0.844 0.000 1.386 238 G CA -0.505 43.709 45.100 -1.478 0.000 1.047 238 G HN 0.677 nan 8.290 nan 0.000 0.527 239 I N -0.172 119.979 120.570 -0.698 0.000 2.569 239 I HA 0.512 4.682 4.170 -0.000 0.000 0.296 239 I C 0.682 176.631 176.117 -0.280 0.000 1.028 239 I CA -0.768 60.297 61.300 -0.391 0.000 1.082 239 I CB 2.263 40.117 38.000 -0.243 0.000 1.264 239 I HN 0.605 nan 8.210 nan 0.000 0.429 240 G N 2.194 110.835 108.800 -0.266 0.000 2.552 240 G HA2 0.458 4.418 3.960 -0.000 0.000 0.324 240 G HA3 0.458 4.418 3.960 -0.000 0.000 0.324 240 G C 0.808 175.462 174.900 -0.410 0.000 1.217 240 G CA -0.188 44.770 45.100 -0.237 0.000 0.989 240 G HN 0.776 nan 8.290 nan 0.000 0.490 241 G N -1.338 106.994 108.800 -0.781 0.000 2.418 241 G HA2 0.225 4.185 3.960 -0.000 0.000 0.217 241 G HA3 0.225 4.185 3.960 -0.000 0.000 0.217 241 G C 0.676 175.324 174.900 -0.420 0.000 1.158 241 G CA 1.938 46.306 45.100 -1.221 0.000 0.771 241 G HN 1.489 nan 8.290 nan 0.000 0.545 242 V N -4.534 115.203 119.914 -0.295 0.000 3.130 242 V HA 0.669 4.789 4.120 -0.000 0.000 0.310 242 V C -3.015 172.920 176.094 -0.265 0.000 1.158 242 V CA -3.072 59.126 62.300 -0.170 0.000 1.029 242 V CB 1.795 33.625 31.823 0.012 0.000 1.057 242 V HN -0.119 nan 8.190 nan 0.000 0.436 243 P HA 0.346 nan 4.420 nan 0.000 0.261 243 P C 0.952 178.166 177.300 -0.143 0.000 1.183 243 P CA 2.084 65.019 63.100 -0.274 0.000 0.761 243 P CB 0.579 32.110 31.700 -0.282 0.000 0.785 244 G N 1.995 110.727 108.800 -0.112 0.000 2.232 244 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.226 244 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.226 244 G C 0.204 175.094 174.900 -0.017 0.000 0.996 244 G CA -0.458 44.620 45.100 -0.037 0.000 0.626 244 G HN 0.387 nan 8.290 nan 0.000 0.509 245 M N 1.364 120.920 119.600 -0.073 0.000 2.247 245 M HA 0.408 4.888 4.480 -0.000 0.000 0.326 245 M C 0.770 177.034 176.300 -0.059 0.000 1.134 245 M CA -0.889 54.376 55.300 -0.057 0.000 1.136 245 M CB 0.850 33.383 32.600 -0.111 0.000 1.454 245 M HN 0.407 nan 8.290 nan 0.000 0.467 246 E N 1.103 121.302 120.200 -0.001 0.000 2.437 246 E HA 0.246 4.596 4.350 -0.000 0.000 0.263 246 E C -0.683 175.874 176.600 -0.071 0.000 1.030 246 E CA -0.331 56.065 56.400 -0.008 0.000 0.934 246 E CB 0.729 30.478 29.700 0.081 0.000 0.943 246 E HN 0.696 nan 8.360 nan 0.000 0.444 247 A N 4.677 127.376 122.820 -0.203 0.000 2.450 247 A HA 0.123 4.443 4.320 -0.000 0.000 0.255 247 A C -0.525 177.069 177.584 0.017 0.000 1.096 247 A CA 0.002 51.837 52.037 -0.338 0.000 0.778 247 A CB 0.359 18.848 19.000 -0.851 0.000 1.031 247 A HN 0.702 nan 8.150 nan 0.000 0.494 248 H N 1.546 120.599 119.070 -0.028 0.000 2.865 248 H HA 0.379 4.935 4.556 -0.000 0.000 0.362 248 H C 1.162 176.595 175.328 0.174 0.000 1.114 248 H CA 0.164 56.302 56.048 0.151 0.000 1.208 248 H CB 1.839 31.707 29.762 0.177 0.000 1.727 248 H HN 0.671 nan 8.280 nan 0.000 0.534 249 G N 2.225 110.971 108.800 -0.090 0.000 2.450 249 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.220 249 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.220 249 G C 1.466 176.473 174.900 0.179 0.000 1.130 249 G CA 0.825 45.984 45.100 0.098 0.000 0.760 249 G HN 0.659 nan 8.290 nan 0.000 0.557 250 G N -0.181 108.743 108.800 0.207 0.000 2.402 250 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 250 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 250 G C 1.584 176.326 174.900 -0.263 0.000 1.162 250 G CA 0.753 45.629 45.100 -0.373 0.000 0.777 250 G HN 0.513 nan 8.290 nan 0.000 0.539 251 Y N 0.779 121.091 120.300 0.019 0.000 2.337 251 Y HA -0.013 4.537 4.550 -0.000 0.000 0.293 251 Y C 3.270 179.151 175.900 -0.032 0.000 1.123 251 Y CA 1.152 59.237 58.100 -0.025 0.000 1.201 251 Y CB -0.112 38.328 38.460 -0.033 0.000 1.011 251 Y HN 0.097 nan 8.280 nan 0.000 0.545 252 T N 0.507 115.138 114.554 0.128 0.000 2.821 252 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 252 T C 1.563 176.282 174.700 0.032 0.000 1.046 252 T CA 1.372 63.481 62.100 0.015 0.000 1.139 252 T CB -0.581 68.277 68.868 -0.016 0.000 0.871 252 T HN 0.360 nan 8.240 nan 0.000 0.454 253 F N 1.375 121.314 119.950 -0.018 0.000 2.102 253 F HA -0.146 4.380 4.527 -0.000 0.000 0.298 253 F C 2.416 178.110 175.800 -0.176 0.000 1.105 253 F CA 0.692 58.658 58.000 -0.057 0.000 1.239 253 F CB -0.788 38.265 39.000 0.090 0.000 0.991 253 F HN 0.137 nan 8.300 nan 0.000 0.474 254 C N 0.938 120.132 119.300 -0.176 0.000 2.413 254 C HA -0.110 4.350 4.460 -0.000 0.000 0.276 254 C C 3.098 177.968 174.990 -0.201 0.000 1.248 254 C CA 1.334 60.154 59.018 -0.330 0.000 1.742 254 C CB -1.929 25.812 27.740 0.002 0.000 2.017 254 C HN 0.749 nan 8.230 nan 0.000 0.481 255 G N 0.022 108.767 108.800 -0.092 0.000 2.453 255 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.215 255 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.215 255 G C 1.495 176.324 174.900 -0.119 0.000 1.201 255 G CA 0.980 46.047 45.100 -0.056 0.000 0.784 255 G HN 0.437 nan 8.290 nan 0.000 0.545 256 L N 1.456 122.574 121.223 -0.176 0.000 2.017 256 L HA 0.151 4.490 4.340 -0.000 0.000 0.208 256 L C 3.079 179.810 176.870 -0.232 0.000 1.073 256 L CA 2.229 56.965 54.840 -0.174 0.000 0.745 256 L CB -0.801 41.165 42.059 -0.154 0.000 0.894 256 L HN 0.248 nan 8.230 nan 0.000 0.432 257 A N -0.516 122.044 122.820 -0.433 0.000 1.902 257 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 257 A C 2.455 179.936 177.584 -0.172 0.000 1.181 257 A CA 1.888 53.667 52.037 -0.430 0.000 0.623 257 A CB -1.180 17.252 19.000 -0.946 0.000 0.818 257 A HN 0.589 nan 8.150 nan 0.000 0.443 258 A N -0.185 122.581 122.820 -0.091 0.000 1.877 258 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 258 A C 2.167 179.690 177.584 -0.102 0.000 1.186 258 A CA 1.536 53.554 52.037 -0.031 0.000 0.620 258 A CB -0.651 18.362 19.000 0.022 0.000 0.822 258 A HN 0.477 nan 8.150 nan 0.000 0.443 259 L N -0.515 120.659 121.223 -0.081 0.000 2.083 259 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 259 L C 2.484 179.315 176.870 -0.064 0.000 1.083 259 L CA 0.953 55.755 54.840 -0.064 0.000 0.752 259 L CB -0.511 41.520 42.059 -0.046 0.000 0.899 259 L HN 0.251 nan 8.230 nan 0.000 0.433 260 V N 0.101 119.970 119.914 -0.074 0.000 2.490 260 V HA -0.278 3.842 4.120 -0.000 0.000 0.250 260 V C 2.274 178.343 176.094 -0.042 0.000 1.061 260 V CA 1.641 63.913 62.300 -0.046 0.000 1.064 260 V CB -0.232 31.562 31.823 -0.049 0.000 0.670 260 V HN 0.336 nan 8.190 nan 0.000 0.461 261 I N -0.455 120.064 120.570 -0.085 0.000 2.315 261 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 261 I C 1.866 177.927 176.117 -0.093 0.000 1.117 261 I CA 1.506 62.753 61.300 -0.089 0.000 1.404 261 I CB -0.136 37.769 38.000 -0.159 0.000 1.071 261 I HN 0.253 nan 8.210 nan 0.000 0.419 262 L N 0.754 121.900 121.223 -0.127 0.000 2.591 262 L HA 0.055 4.395 4.340 -0.000 0.000 0.228 262 L C 0.360 177.214 176.870 -0.027 0.000 1.133 262 L CA 0.022 54.802 54.840 -0.100 0.000 0.880 262 L CB -0.233 41.748 42.059 -0.131 0.000 1.033 262 L HN 0.175 nan 8.230 nan 0.000 0.450 263 K N 0.565 120.955 120.400 -0.016 0.000 3.071 263 K HA -0.171 4.149 4.320 -0.000 0.000 0.265 263 K C 0.114 176.719 176.600 0.009 0.000 1.060 263 K CA 0.698 56.989 56.287 0.008 0.000 0.767 263 K CB -1.535 30.978 32.500 0.022 0.000 1.241 263 K HN 0.346 nan 8.250 nan 0.000 0.486 264 K N 0.080 120.480 120.400 -0.001 0.000 2.676 264 K HA 0.096 4.416 4.320 -0.000 0.000 0.205 264 K C 0.666 177.266 176.600 -0.000 0.000 1.084 264 K CA -0.100 56.190 56.287 0.006 0.000 1.057 264 K CB 0.773 33.281 32.500 0.013 0.000 0.791 264 K HN 0.136 nan 8.250 nan 0.000 0.484 265 E N 1.010 121.208 120.200 -0.004 0.000 2.160 265 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 265 E C 1.671 178.269 176.600 -0.003 0.000 0.991 265 E CA 1.083 57.477 56.400 -0.009 0.000 0.810 265 E CB -0.084 29.614 29.700 -0.003 0.000 0.742 265 E HN 0.218 nan 8.360 nan 0.000 0.466 266 R N 0.589 121.092 120.500 0.005 0.000 2.249 266 R HA 0.017 4.357 4.340 -0.000 0.000 0.230 266 R C 1.583 177.884 176.300 0.002 0.000 1.121 266 R CA 1.085 57.189 56.100 0.007 0.000 0.997 266 R CB -0.912 29.395 30.300 0.012 0.000 0.867 266 R HN 0.059 nan 8.270 nan 0.000 0.465 267 S N 0.939 116.638 115.700 -0.001 0.000 2.507 267 S HA 0.078 4.548 4.470 -0.000 0.000 0.235 267 S C 1.003 175.592 174.600 -0.018 0.000 0.988 267 S CA 0.492 58.689 58.200 -0.005 0.000 0.944 267 S CB -0.146 63.054 63.200 0.000 0.000 0.762 267 S HN 0.205 nan 8.310 nan 0.000 0.526 268 L N 1.619 122.828 121.223 -0.022 0.000 2.352 268 L HA 0.418 4.758 4.340 -0.000 0.000 0.269 268 L C 0.431 177.288 176.870 -0.022 0.000 1.034 268 L CA -0.862 53.957 54.840 -0.035 0.000 0.806 268 L CB 0.455 42.486 42.059 -0.045 0.000 1.244 268 L HN -0.059 nan 8.230 nan 0.000 0.447 269 N N 2.014 120.698 118.700 -0.028 0.000 2.549 269 N HA 0.104 4.843 4.740 -0.000 0.000 0.267 269 N C 0.747 176.255 175.510 -0.002 0.000 1.182 269 N CA 0.150 53.193 53.050 -0.011 0.000 1.019 269 N CB 0.395 38.873 38.487 -0.015 0.000 1.380 269 N HN 0.606 nan 8.380 nan 0.000 0.505 270 L N 1.739 122.967 121.223 0.009 0.000 2.261 270 L HA -0.150 4.190 4.340 -0.000 0.000 0.216 270 L C 2.293 179.189 176.870 0.044 0.000 1.114 270 L CA 0.981 55.835 54.840 0.024 0.000 0.777 270 L CB -0.121 41.955 42.059 0.028 0.000 0.910 270 L HN 0.499 nan 8.230 nan 0.000 0.440 271 K N 0.169 120.593 120.400 0.041 0.000 2.076 271 K HA -0.130 4.190 4.320 -0.000 0.000 0.204 271 K C 2.389 179.029 176.600 0.067 0.000 1.051 271 K CA 1.400 57.720 56.287 0.055 0.000 0.949 271 K CB 0.084 32.612 32.500 0.046 0.000 0.726 271 K HN 0.302 nan 8.250 nan 0.000 0.443 272 S N 1.055 116.787 115.700 0.054 0.000 2.402 272 S HA -0.142 4.328 4.470 -0.000 0.000 0.229 272 S C 1.973 176.632 174.600 0.097 0.000 1.021 272 S CA 0.841 59.081 58.200 0.066 0.000 0.974 272 S CB -0.361 62.859 63.200 0.034 0.000 0.800 272 S HN 0.324 nan 8.310 nan 0.000 0.484 273 L N 1.266 122.531 121.223 0.070 0.000 2.027 273 L HA 0.162 4.502 4.340 -0.000 0.000 0.206 273 L C 2.228 179.219 176.870 0.201 0.000 1.074 273 L CA 1.615 56.519 54.840 0.105 0.000 0.745 273 L CB -1.117 40.964 42.059 0.038 0.000 0.898 273 L HN 0.398 nan 8.230 nan 0.000 0.433 274 L N -0.233 121.078 121.223 0.147 0.000 2.042 274 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 274 L C 2.603 179.568 176.870 0.158 0.000 1.076 274 L CA 2.259 57.191 54.840 0.153 0.000 0.749 274 L CB -0.863 41.273 42.059 0.128 0.000 0.893 274 L HN 0.599 nan 8.230 nan 0.000 0.432 275 Q N -1.810 118.078 119.800 0.146 0.000 2.124 275 Q HA -0.267 4.073 4.340 -0.000 0.000 0.202 275 Q C 2.069 178.150 176.000 0.136 0.000 0.977 275 Q CA 2.013 57.891 55.803 0.126 0.000 0.850 275 Q CB -0.449 28.356 28.738 0.110 0.000 0.901 275 Q HN 0.685 nan 8.270 nan 0.000 0.429 276 W N -0.241 121.061 121.300 0.002 0.000 2.378 276 W HA -0.192 4.468 4.660 -0.000 0.000 0.313 276 W C 2.006 178.526 176.519 0.001 0.000 1.197 276 W CA 1.593 58.922 57.345 -0.026 0.000 1.304 276 W CB -0.674 28.742 29.460 -0.073 0.000 1.148 276 W HN 0.031 nan 8.180 nan 0.000 0.494 277 V N 1.353 121.313 119.914 0.076 0.000 2.343 277 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 277 V C 2.421 178.483 176.094 -0.054 0.000 1.051 277 V CA 3.283 65.497 62.300 -0.143 0.000 1.036 277 V CB -1.154 30.747 31.823 0.130 0.000 0.654 277 V HN 0.467 nan 8.190 nan 0.000 0.451 278 T N -2.837 111.750 114.554 0.054 0.000 2.833 278 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 278 T C 1.828 176.518 174.700 -0.017 0.000 1.054 278 T CA 1.705 63.870 62.100 0.108 0.000 1.135 278 T CB -0.560 68.385 68.868 0.127 0.000 0.869 278 T HN 0.466 nan 8.240 nan 0.000 0.466 279 S N 0.890 116.522 115.700 -0.113 0.000 2.561 279 S HA 0.127 4.597 4.470 -0.000 0.000 0.225 279 S C 1.878 176.321 174.600 -0.262 0.000 0.977 279 S CA -0.048 58.054 58.200 -0.164 0.000 0.926 279 S CB -0.153 62.954 63.200 -0.155 0.000 0.769 279 S HN 0.391 nan 8.310 nan 0.000 0.533 280 R N 1.262 121.568 120.500 -0.323 0.000 2.299 280 R HA 0.152 4.491 4.340 -0.000 0.000 0.197 280 R C 0.871 176.990 176.300 -0.303 0.000 0.971 280 R CA 0.084 55.989 56.100 -0.324 0.000 1.030 280 R CB -0.299 29.752 30.300 -0.414 0.000 0.932 280 R HN 0.514 nan 8.270 nan 0.000 0.477 281 Q N 1.114 120.590 119.800 -0.540 0.000 2.286 281 Q HA 0.141 4.481 4.340 -0.000 0.000 0.257 281 Q C -0.516 175.207 176.000 -0.461 0.000 0.941 281 Q CA -0.299 54.900 55.803 -1.008 0.000 0.912 281 Q CB 0.769 28.848 28.738 -1.099 0.000 1.192 281 Q HN -0.162 nan 8.270 nan 0.000 0.410 282 M N 4.457 123.827 119.600 -0.383 0.000 2.184 282 M HA 0.096 4.576 4.480 -0.000 0.000 0.351 282 M C 1.077 177.321 176.300 -0.094 0.000 1.395 282 M CA 0.411 55.601 55.300 -0.183 0.000 1.117 282 M CB 0.419 32.933 32.600 -0.143 0.000 1.708 282 M HN 0.732 nan 8.290 nan 0.000 0.468 283 R N 1.386 121.868 120.500 -0.030 0.000 2.127 283 R HA -0.174 4.166 4.340 -0.000 0.000 0.238 283 R C 1.392 177.743 176.300 0.086 0.000 1.134 283 R CA 1.604 57.721 56.100 0.029 0.000 0.975 283 R CB -0.456 29.855 30.300 0.019 0.000 0.865 283 R HN 0.539 nan 8.270 nan 0.000 0.447 284 F N 1.768 121.695 119.950 -0.038 0.000 2.208 284 F HA 0.148 4.675 4.527 -0.000 0.000 0.282 284 F C 1.859 177.847 175.800 0.313 0.000 1.071 284 F CA 1.022 59.026 58.000 0.007 0.000 1.228 284 F CB 0.030 39.008 39.000 -0.036 0.000 1.088 284 F HN -0.135 nan 8.300 nan 0.000 0.512 285 E N 0.247 120.542 120.200 0.158 0.000 2.085 285 E HA 0.017 4.367 4.350 -0.000 0.000 0.194 285 E C 1.857 178.490 176.600 0.055 0.000 0.994 285 E CA 1.680 58.116 56.400 0.061 0.000 0.801 285 E CB -0.684 28.939 29.700 -0.128 0.000 0.743 285 E HN 0.644 nan 8.360 nan 0.000 0.453 286 G N -0.662 108.108 108.800 -0.050 0.000 2.254 286 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.225 286 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.225 286 G C 0.613 175.426 174.900 -0.145 0.000 1.003 286 G CA -0.002 45.081 45.100 -0.029 0.000 0.622 286 G HN 0.647 nan 8.290 nan 0.000 0.507 287 G N -0.649 107.905 108.800 -0.410 0.000 2.531 287 G HA2 0.650 4.610 3.960 -0.000 0.000 0.281 287 G HA3 0.650 4.610 3.960 -0.000 0.000 0.281 287 G C -0.517 174.189 174.900 -0.324 0.000 1.382 287 G CA -0.812 44.086 45.100 -0.336 0.000 1.045 287 G HN 0.284 nan 8.290 nan 0.000 0.533 288 F N -0.638 119.232 119.950 -0.134 0.000 2.523 288 F HA 0.447 4.974 4.527 -0.000 0.000 0.329 288 F C 0.668 176.436 175.800 -0.053 0.000 1.061 288 F CA -0.672 57.262 58.000 -0.111 0.000 0.967 288 F CB 2.119 41.056 39.000 -0.105 0.000 1.218 288 F HN 0.525 nan 8.300 nan 0.000 0.480 289 Q N 0.158 119.978 119.800 0.033 0.000 2.241 289 Q HA 0.643 4.983 4.340 -0.000 0.000 0.262 289 Q C 0.185 175.921 176.000 -0.440 0.000 1.014 289 Q CA -0.705 55.045 55.803 -0.088 0.000 0.885 289 Q CB 1.872 30.535 28.738 -0.124 0.000 1.311 289 Q HN 0.817 nan 8.270 nan 0.000 0.461 290 G N 0.653 108.975 108.800 -0.798 0.000 2.796 290 G HA2 0.165 4.125 3.960 -0.000 0.000 0.210 290 G HA3 0.165 4.125 3.960 -0.000 0.000 0.210 290 G C 0.201 174.639 174.900 -0.770 0.000 1.146 290 G CA -0.143 44.126 45.100 -1.385 0.000 0.779 290 G HN 0.426 nan 8.290 nan 0.000 0.535 291 R N -1.541 118.734 120.500 -0.375 0.000 2.739 291 R HA 0.346 4.686 4.340 -0.000 0.000 0.271 291 R C -1.255 174.996 176.300 -0.081 0.000 1.010 291 R CA -0.797 55.239 56.100 -0.106 0.000 0.897 291 R CB 1.372 31.678 30.300 0.009 0.000 1.236 291 R HN 0.066 nan 8.270 nan 0.000 0.466 292 C N 2.319 121.617 119.300 -0.003 0.000 2.642 292 C HA 0.082 4.542 4.460 -0.000 0.000 0.420 292 C C 0.762 175.758 174.990 0.010 0.000 1.349 292 C CA 0.542 59.547 59.018 -0.022 0.000 1.821 292 C CB -0.907 26.856 27.740 0.038 0.000 2.637 292 C HN 0.942 nan 8.230 nan 0.000 0.605 293 N N 2.506 121.201 118.700 -0.008 0.000 2.776 293 N HA -0.119 4.621 4.740 -0.000 0.000 0.249 293 N C -0.534 174.986 175.510 0.015 0.000 1.111 293 N CA 1.130 54.185 53.050 0.010 0.000 0.711 293 N CB -0.523 37.986 38.487 0.036 0.000 1.065 293 N HN 0.753 nan 8.380 nan 0.000 0.556 294 K N -0.123 120.278 120.400 0.001 0.000 2.279 294 K HA 0.561 4.881 4.320 -0.000 0.000 0.238 294 K C 0.646 177.258 176.600 0.019 0.000 1.084 294 K CA -0.660 55.640 56.287 0.022 0.000 0.885 294 K CB 0.963 33.482 32.500 0.031 0.000 1.319 294 K HN -0.011 nan 8.250 nan 0.000 0.494 295 L N 0.816 122.072 121.223 0.054 0.000 2.399 295 L HA 0.324 4.664 4.340 -0.000 0.000 0.266 295 L C 0.824 177.749 176.870 0.091 0.000 1.114 295 L CA -0.886 53.991 54.840 0.063 0.000 0.804 295 L CB 1.060 43.167 42.059 0.080 0.000 1.146 295 L HN 0.217 nan 8.230 nan 0.000 0.451 296 V N 1.176 121.125 119.914 0.058 0.000 3.237 296 V HA 0.146 4.266 4.120 -0.000 0.000 0.305 296 V C -0.552 175.660 176.094 0.197 0.000 1.096 296 V CA 0.401 62.732 62.300 0.051 0.000 1.130 296 V CB 1.424 33.155 31.823 -0.153 0.000 1.048 296 V HN 0.928 nan 8.190 nan 0.000 0.484 297 D N 2.471 123.052 120.400 0.302 0.000 2.804 297 D HA 0.321 4.961 4.640 -0.000 0.000 0.209 297 D C 0.698 177.206 176.300 0.347 0.000 1.314 297 D CA 0.195 54.397 54.000 0.338 0.000 0.894 297 D CB 1.409 42.400 40.800 0.317 0.000 1.615 297 D HN 0.650 nan 8.370 nan 0.000 0.571 298 G N 1.997 111.032 108.800 0.392 0.000 2.545 298 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.222 298 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.222 298 G C 1.794 176.799 174.900 0.174 0.000 1.126 298 G CA 1.509 46.813 45.100 0.340 0.000 0.754 298 G HN 0.797 nan 8.290 nan 0.000 0.583 299 C N -1.489 117.846 119.300 0.058 0.000 2.432 299 C HA 0.130 4.590 4.460 -0.000 0.000 0.280 299 C C 2.346 177.250 174.990 -0.143 0.000 1.353 299 C CA 0.297 59.196 59.018 -0.198 0.000 1.766 299 C CB -1.591 25.861 27.740 -0.479 0.000 1.924 299 C HN 0.469 nan 8.230 nan 0.000 0.509 300 Y N 1.907 122.307 120.300 0.168 0.000 2.632 300 Y HA -0.011 4.539 4.550 -0.000 0.000 0.301 300 Y C 2.648 178.494 175.900 -0.091 0.000 1.172 300 Y CA 0.505 58.679 58.100 0.123 0.000 1.328 300 Y CB -0.230 38.316 38.460 0.145 0.000 1.016 300 Y HN 0.336 nan 8.280 nan 0.000 0.529 301 S N -0.143 115.610 115.700 0.088 0.000 2.447 301 S HA -0.157 4.313 4.470 -0.000 0.000 0.233 301 S C 1.453 175.946 174.600 -0.179 0.000 1.006 301 S CA 1.043 59.243 58.200 0.000 0.000 0.957 301 S CB -0.257 63.022 63.200 0.131 0.000 0.773 301 S HN 0.551 nan 8.310 nan 0.000 0.507 302 F N 0.221 119.976 119.950 -0.325 0.000 2.315 302 F HA 0.223 4.750 4.527 -0.000 0.000 0.284 302 F C 1.520 177.029 175.800 -0.484 0.000 1.049 302 F CA -0.018 57.712 58.000 -0.451 0.000 1.323 302 F CB -0.617 38.044 39.000 -0.564 0.000 1.113 302 F HN 0.144 nan 8.300 nan 0.000 0.544 303 W N 1.142 122.217 121.300 -0.375 0.000 2.321 303 W HA -0.222 4.438 4.660 -0.000 0.000 0.306 303 W C 2.390 178.694 176.519 -0.358 0.000 1.217 303 W CA 1.135 58.233 57.345 -0.412 0.000 1.257 303 W CB -0.495 28.955 29.460 -0.018 0.000 1.145 303 W HN 0.077 nan 8.180 nan 0.000 0.509 304 Q N -0.172 119.497 119.800 -0.218 0.000 2.084 304 Q HA 0.026 4.366 4.340 -0.000 0.000 0.194 304 Q C 2.462 177.964 176.000 -0.829 0.000 0.969 304 Q CA 1.465 56.972 55.803 -0.493 0.000 0.829 304 Q CB -1.326 26.999 28.738 -0.688 0.000 0.904 304 Q HN 0.291 nan 8.270 nan 0.000 0.464 305 A N 1.128 123.169 122.820 -1.300 0.000 2.019 305 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 305 A C 2.210 179.384 177.584 -0.684 0.000 1.164 305 A CA 1.627 52.902 52.037 -1.270 0.000 0.644 305 A CB -0.931 17.189 19.000 -1.466 0.000 0.805 305 A HN 0.444 nan 8.150 nan 0.000 0.449 306 G N -0.491 107.913 108.800 -0.661 0.000 2.509 306 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.218 306 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.218 306 G C 1.403 176.127 174.900 -0.294 0.000 1.124 306 G CA 0.767 45.521 45.100 -0.577 0.000 0.776 306 G HN 0.459 nan 8.290 nan 0.000 0.547 307 L N 0.107 121.202 121.223 -0.214 0.000 2.141 307 L HA 0.004 4.344 4.340 -0.000 0.000 0.209 307 L C 2.627 179.452 176.870 -0.075 0.000 1.094 307 L CA 0.047 54.840 54.840 -0.079 0.000 0.763 307 L CB -0.247 41.806 42.059 -0.010 0.000 0.908 307 L HN 0.105 nan 8.230 nan 0.000 0.437 308 L N 0.094 121.264 121.223 -0.088 0.000 2.012 308 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 308 L C 0.086 176.887 176.870 -0.114 0.000 1.073 308 L CA 2.294 57.157 54.840 0.038 0.000 0.748 308 L CB -2.591 39.636 42.059 0.281 0.000 0.891 308 L HN 0.177 nan 8.230 nan 0.000 0.431 309 P HA -0.110 nan 4.420 nan 0.000 0.218 309 P C 2.237 179.427 177.300 -0.184 0.000 1.149 309 P CA 0.985 63.578 63.100 -0.845 0.000 0.817 309 P CB 0.115 31.158 31.700 -1.096 0.000 0.785 310 L N -1.622 119.525 121.223 -0.126 0.000 2.056 310 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 310 L C 2.368 179.259 176.870 0.035 0.000 1.078 310 L CA 1.388 56.205 54.840 -0.039 0.000 0.749 310 L CB -0.947 41.066 42.059 -0.076 0.000 0.901 310 L HN -0.020 nan 8.230 nan 0.000 0.433 311 L N -1.248 120.015 121.223 0.067 0.000 2.109 311 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 311 L C 2.605 179.580 176.870 0.175 0.000 1.086 311 L CA 0.902 55.808 54.840 0.110 0.000 0.760 311 L CB -0.580 41.553 42.059 0.124 0.000 0.910 311 L HN 0.278 nan 8.230 nan 0.000 0.437 312 H N 0.299 119.476 119.070 0.177 0.000 2.319 312 H HA -0.217 4.339 4.556 -0.000 0.000 0.299 312 H C 2.486 177.955 175.328 0.235 0.000 1.092 312 H CA 2.065 58.286 56.048 0.288 0.000 1.302 312 H CB 0.116 30.197 29.762 0.531 0.000 1.373 312 H HN 0.080 nan 8.280 nan 0.000 0.497 313 R N 0.016 120.676 120.500 0.265 0.000 2.075 313 R HA -0.082 4.258 4.340 -0.000 0.000 0.232 313 R C 2.362 178.733 176.300 0.118 0.000 1.126 313 R CA 1.149 57.344 56.100 0.158 0.000 0.963 313 R CB -0.393 29.974 30.300 0.111 0.000 0.858 313 R HN 0.391 nan 8.270 nan 0.000 0.435 314 A N 1.367 124.243 122.820 0.094 0.000 1.877 314 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 314 A C 2.234 179.859 177.584 0.069 0.000 1.186 314 A CA 1.275 53.353 52.037 0.068 0.000 0.620 314 A CB -0.567 18.462 19.000 0.048 0.000 0.822 314 A HN 0.356 nan 8.150 nan 0.000 0.443 315 L N -1.519 119.743 121.223 0.065 0.000 2.056 315 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 315 L C 2.751 179.643 176.870 0.037 0.000 1.078 315 L CA 1.475 56.338 54.840 0.040 0.000 0.749 315 L CB -0.719 41.357 42.059 0.028 0.000 0.901 315 L HN 0.602 nan 8.230 nan 0.000 0.433 316 H N 0.734 119.767 119.070 -0.061 0.000 2.353 316 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 316 H C 2.010 177.335 175.328 -0.005 0.000 1.090 316 H CA 1.659 57.676 56.048 -0.052 0.000 1.327 316 H CB 0.329 30.053 29.762 -0.062 0.000 1.383 316 H HN 0.299 nan 8.280 nan 0.000 0.508 317 A N 0.240 123.187 122.820 0.211 0.000 2.168 317 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 317 A C 2.255 179.873 177.584 0.057 0.000 1.152 317 A CA 1.077 53.203 52.037 0.148 0.000 0.716 317 A CB -0.343 18.730 19.000 0.122 0.000 0.794 317 A HN 0.553 nan 8.150 nan 0.000 0.465 318 Q N -1.517 118.301 119.800 0.031 0.000 2.360 318 Q HA 0.283 4.623 4.340 -0.000 0.000 0.202 318 Q C 0.969 176.954 176.000 -0.025 0.000 0.915 318 Q CA 0.538 56.346 55.803 0.008 0.000 0.943 318 Q CB 0.089 28.835 28.738 0.014 0.000 1.064 318 Q HN 0.803 nan 8.270 nan 0.000 0.511 319 G N 1.333 110.090 108.800 -0.071 0.000 2.136 319 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.242 319 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.242 319 G C -0.340 174.490 174.900 -0.117 0.000 0.989 319 G CA 0.192 45.219 45.100 -0.122 0.000 0.682 319 G HN 0.440 nan 8.290 nan 0.000 0.522 320 D N 0.944 121.285 120.400 -0.098 0.000 2.472 320 D HA 0.181 4.821 4.640 -0.000 0.000 0.248 320 D C 0.039 176.292 176.300 -0.077 0.000 1.174 320 D CA -0.343 53.619 54.000 -0.063 0.000 0.883 320 D CB 1.197 41.976 40.800 -0.035 0.000 1.149 320 D HN 0.275 nan 8.370 nan 0.000 0.488 321 P HA 0.076 nan 4.420 nan 0.000 0.245 321 P C 0.557 177.853 177.300 -0.007 0.000 1.203 321 P CA 0.106 63.185 63.100 -0.035 0.000 0.792 321 P CB 0.497 32.181 31.700 -0.026 0.000 0.997 322 A N -0.008 122.814 122.820 0.004 0.000 2.195 322 A HA 0.175 4.495 4.320 -0.000 0.000 0.210 322 A C 1.240 178.853 177.584 0.049 0.000 1.165 322 A CA -0.177 51.874 52.037 0.023 0.000 0.806 322 A CB -0.805 18.209 19.000 0.025 0.000 0.847 322 A HN 0.118 nan 8.150 nan 0.000 0.482 323 L N 1.368 122.623 121.223 0.054 0.000 2.578 323 L HA -0.007 4.333 4.340 -0.000 0.000 0.279 323 L C 1.175 178.159 176.870 0.189 0.000 1.227 323 L CA -0.212 54.699 54.840 0.118 0.000 0.900 323 L CB 0.201 42.254 42.059 -0.009 0.000 1.144 323 L HN 0.325 nan 8.230 nan 0.000 0.496 324 S N 3.074 118.908 115.700 0.222 0.000 2.569 324 S HA 0.039 4.509 4.470 -0.000 0.000 0.274 324 S C 1.010 175.665 174.600 0.093 0.000 1.353 324 S CA -0.265 57.985 58.200 0.083 0.000 1.023 324 S CB 0.546 63.727 63.200 -0.031 0.000 0.876 324 S HN 0.605 nan 8.310 nan 0.000 0.540 325 M N 2.445 121.998 119.600 -0.079 0.000 2.382 325 M HA 0.122 4.601 4.480 -0.000 0.000 0.247 325 M C 1.204 177.272 176.300 -0.388 0.000 1.104 325 M CA 0.397 55.668 55.300 -0.048 0.000 1.030 325 M CB -0.233 32.357 32.600 -0.016 0.000 1.424 325 M HN 0.835 nan 8.290 nan 0.000 0.486 326 S N -2.155 113.025 115.700 -0.867 0.000 2.817 326 S HA 0.245 4.715 4.470 -0.000 0.000 0.262 326 S C 0.054 173.603 174.600 -1.751 0.000 1.051 326 S CA -0.472 56.996 58.200 -1.220 0.000 1.185 326 S CB 0.426 63.166 63.200 -0.767 0.000 1.152 326 S HN 0.421 nan 8.310 nan 0.000 0.653 327 H N -1.084 117.058 119.070 -1.548 0.000 2.980 327 H HA 0.586 5.142 4.556 -0.000 0.000 0.367 327 H C -1.450 173.504 175.328 -0.624 0.000 1.206 327 H CA -0.806 54.661 56.048 -0.969 0.000 1.126 327 H CB 0.685 30.149 29.762 -0.496 0.000 1.838 327 H HN 0.300 nan 8.280 nan 0.000 0.552 328 W N 1.547 122.812 121.300 -0.059 0.000 2.283 328 W HA 0.300 4.960 4.660 -0.000 0.000 0.341 328 W C 0.543 177.063 176.519 0.001 0.000 1.206 328 W CA -0.743 56.620 57.345 0.030 0.000 1.294 328 W CB 0.671 30.128 29.460 -0.005 0.000 1.154 328 W HN 0.332 nan 8.180 nan 0.000 0.613 329 M N 3.605 123.477 119.600 0.453 0.000 3.700 329 M HA 0.130 4.610 4.480 -0.000 0.000 0.190 329 M C -1.117 175.417 176.300 0.389 0.000 1.422 329 M CA 0.334 55.826 55.300 0.321 0.000 1.646 329 M CB -1.092 31.692 32.600 0.306 0.000 1.154 329 M HN 0.299 nan 8.290 nan 0.000 0.506 330 F N -3.467 116.634 119.950 0.252 0.000 2.668 330 F HA 0.397 4.924 4.527 -0.000 0.000 0.309 330 F C -0.637 175.277 175.800 0.189 0.000 1.117 330 F CA -1.382 56.768 58.000 0.250 0.000 0.951 330 F CB 0.781 40.027 39.000 0.410 0.000 1.323 330 F HN -0.054 nan 8.300 nan 0.000 0.451 331 H N 3.253 122.492 119.070 0.283 0.000 3.232 331 H HA 0.160 4.716 4.556 -0.000 0.000 0.254 331 H C 0.658 176.065 175.328 0.132 0.000 1.213 331 H CA 0.919 56.986 56.048 0.032 0.000 1.503 331 H CB 0.940 30.642 29.762 -0.099 0.000 1.563 331 H HN 0.895 nan 8.280 nan 0.000 0.490 332 Q N 2.742 122.500 119.800 -0.070 0.000 2.084 332 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 332 Q C 2.208 178.334 176.000 0.210 0.000 0.978 332 Q CA 1.630 57.461 55.803 0.047 0.000 0.844 332 Q CB 0.157 28.819 28.738 -0.126 0.000 0.898 332 Q HN 0.721 nan 8.270 nan 0.000 0.426 333 Q N 0.329 120.221 119.800 0.153 0.000 2.002 333 Q HA -0.233 4.106 4.340 -0.000 0.000 0.204 333 Q C 2.068 178.167 176.000 0.164 0.000 0.988 333 Q CA 1.643 57.533 55.803 0.145 0.000 0.843 333 Q CB -0.260 28.543 28.738 0.107 0.000 0.908 333 Q HN 0.385 nan 8.270 nan 0.000 0.420 334 A N 0.823 123.732 122.820 0.149 0.000 1.908 334 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 334 A C 2.025 179.709 177.584 0.166 0.000 1.181 334 A CA 1.584 53.610 52.037 -0.018 0.000 0.627 334 A CB -0.874 17.898 19.000 -0.381 0.000 0.818 334 A HN 0.533 nan 8.150 nan 0.000 0.445 335 L N -0.331 121.063 121.223 0.284 0.000 2.141 335 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 335 L C 2.357 179.414 176.870 0.311 0.000 1.094 335 L CA 2.187 57.240 54.840 0.354 0.000 0.763 335 L CB -0.596 41.768 42.059 0.508 0.000 0.908 335 L HN 0.504 nan 8.230 nan 0.000 0.437 336 Q N -0.744 119.204 119.800 0.247 0.000 2.172 336 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 336 Q C 2.004 178.083 176.000 0.133 0.000 0.964 336 Q CA 1.587 57.490 55.803 0.168 0.000 0.855 336 Q CB -0.025 28.785 28.738 0.119 0.000 0.918 336 Q HN 0.650 nan 8.270 nan 0.000 0.444 337 E N -0.166 120.114 120.200 0.134 0.000 2.072 337 E HA -0.195 4.155 4.350 -0.000 0.000 0.190 337 E C 1.646 178.360 176.600 0.188 0.000 0.982 337 E CA 0.847 57.308 56.400 0.100 0.000 0.803 337 E CB -0.119 29.588 29.700 0.013 0.000 0.755 337 E HN 0.322 nan 8.360 nan 0.000 0.453 338 Y N 1.691 122.079 120.300 0.148 0.000 2.145 338 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 338 Y C 1.929 177.911 175.900 0.137 0.000 1.145 338 Y CA 1.390 59.601 58.100 0.185 0.000 1.148 338 Y CB -0.190 38.367 38.460 0.162 0.000 0.981 338 Y HN -0.069 nan 8.280 nan 0.000 0.507 339 I N -0.386 120.199 120.570 0.025 0.000 2.179 339 I HA -0.332 3.838 4.170 -0.000 0.000 0.242 339 I C 2.317 178.390 176.117 -0.074 0.000 1.088 339 I CA 1.489 62.748 61.300 -0.069 0.000 1.357 339 I CB -0.528 37.509 38.000 0.061 0.000 1.051 339 I HN 0.228 nan 8.210 nan 0.000 0.409 340 L N -0.386 120.840 121.223 0.006 0.000 2.093 340 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 340 L C 2.522 179.411 176.870 0.032 0.000 1.085 340 L CA 1.322 56.177 54.840 0.025 0.000 0.755 340 L CB -0.304 41.782 42.059 0.044 0.000 0.904 340 L HN 0.289 nan 8.230 nan 0.000 0.435 341 M N -1.957 117.672 119.600 0.049 0.000 2.447 341 M HA -0.063 4.416 4.480 -0.000 0.000 0.266 341 M C 1.897 178.195 176.300 -0.004 0.000 1.120 341 M CA 0.886 56.248 55.300 0.103 0.000 1.166 341 M CB 0.093 32.851 32.600 0.263 0.000 1.349 341 M HN 0.327 nan 8.290 nan 0.000 0.463 342 C N -1.536 117.672 119.300 -0.154 0.000 3.019 342 C HA 0.155 4.614 4.460 -0.000 0.000 0.295 342 C C 2.033 176.837 174.990 -0.310 0.000 1.256 342 C CA -0.484 58.367 59.018 -0.278 0.000 1.706 342 C CB -0.558 26.908 27.740 -0.456 0.000 2.153 342 C HN 0.574 nan 8.230 nan 0.000 0.618 343 C N 0.904 120.022 119.300 -0.304 0.000 2.906 343 C HA 0.178 4.638 4.460 -0.000 0.000 0.274 343 C C 0.776 175.688 174.990 -0.129 0.000 1.257 343 C CA -0.108 58.776 59.018 -0.222 0.000 1.695 343 C CB -1.597 26.009 27.740 -0.222 0.000 1.958 343 C HN 0.618 nan 8.230 nan 0.000 0.619 344 Q N 0.034 119.786 119.800 -0.080 0.000 2.230 344 Q HA 0.368 4.708 4.340 -0.000 0.000 0.253 344 Q C -0.579 175.403 176.000 -0.029 0.000 0.919 344 Q CA -0.095 55.706 55.803 -0.004 0.000 0.908 344 Q CB 1.849 30.641 28.738 0.089 0.000 1.245 344 Q HN 0.411 nan 8.270 nan 0.000 0.437 345 C N 4.351 123.638 119.300 -0.022 0.000 2.307 345 C HA 0.364 4.824 4.460 -0.000 0.000 0.340 345 C C -1.007 173.943 174.990 -0.067 0.000 1.275 345 C CA -2.105 56.863 59.018 -0.083 0.000 1.811 345 C CB 0.208 27.851 27.740 -0.162 0.000 2.372 345 C HN 0.748 nan 8.230 nan 0.000 0.531 346 P HA -0.123 nan 4.420 nan 0.000 0.218 346 P C 1.061 178.302 177.300 -0.097 0.000 1.146 346 P CA 2.054 65.106 63.100 -0.079 0.000 0.813 346 P CB 0.071 31.730 31.700 -0.068 0.000 0.778 347 A N -0.650 122.107 122.820 -0.105 0.000 2.169 347 A HA 0.448 4.768 4.320 -0.000 0.000 0.212 347 A C 1.093 178.605 177.584 -0.120 0.000 1.153 347 A CA 0.851 52.825 52.037 -0.105 0.000 0.756 347 A CB -0.771 18.170 19.000 -0.099 0.000 0.813 347 A HN 0.415 nan 8.150 nan 0.000 0.471 348 G N -2.743 105.971 108.800 -0.143 0.000 2.697 348 G HA2 0.552 4.512 3.960 -0.000 0.000 0.684 348 G HA3 0.552 4.512 3.960 -0.000 0.000 0.684 348 G C 0.273 174.996 174.900 -0.295 0.000 1.274 348 G CA -0.206 44.851 45.100 -0.070 0.000 0.806 348 G HN 2.365 nan 8.290 nan 0.000 0.644 349 G N -0.899 107.949 108.800 0.080 0.000 2.663 349 G HA2 0.385 4.345 3.960 -0.000 0.000 0.686 349 G HA3 0.385 4.345 3.960 -0.000 0.000 0.686 349 G C -0.688 174.056 174.900 -0.261 0.000 1.246 349 G CA 0.032 44.921 45.100 -0.352 0.000 0.795 349 G HN 1.633 nan 8.290 nan 0.000 0.627 350 L N 0.048 121.123 121.223 -0.247 0.000 2.271 350 L HA 0.992 5.332 4.340 -0.000 0.000 0.265 350 L C 0.375 177.171 176.870 -0.123 0.000 1.013 350 L CA -0.906 53.823 54.840 -0.186 0.000 0.820 350 L CB 1.740 43.677 42.059 -0.204 0.000 1.352 350 L HN 1.074 nan 8.230 nan 0.000 0.443 351 L N -3.404 117.752 121.223 -0.113 0.000 2.654 351 L HA 0.625 4.965 4.340 -0.000 0.000 0.257 351 L C 0.409 177.190 176.870 -0.149 0.000 1.093 351 L CA -0.658 54.077 54.840 -0.175 0.000 0.903 351 L CB 0.204 42.134 42.059 -0.215 0.000 1.520 351 L HN 0.432 nan 8.230 nan 0.000 0.402 352 D N 0.470 120.643 120.400 -0.379 0.000 2.156 352 D HA -0.156 4.484 4.640 -0.000 0.000 0.190 352 D C -0.058 176.273 176.300 0.051 0.000 0.998 352 D CA 2.567 56.491 54.000 -0.127 0.000 0.842 352 D CB 0.359 41.025 40.800 -0.223 0.000 0.974 352 D HN 0.728 nan 8.370 nan 0.000 0.447 353 K N -1.466 118.927 120.400 -0.012 0.000 2.579 353 K HA 0.436 4.756 4.320 -0.000 0.000 0.284 353 K C -2.871 173.700 176.600 -0.047 0.000 0.990 353 K CA -1.534 54.772 56.287 0.032 0.000 0.880 353 K CB 1.700 34.289 32.500 0.149 0.000 1.488 353 K HN -0.192 nan 8.250 nan 0.000 0.425 354 P HA -0.055 nan 4.420 nan 0.000 0.262 354 P C 0.526 177.789 177.300 -0.062 0.000 1.182 354 P CA 1.607 64.660 63.100 -0.078 0.000 0.761 354 P CB 0.599 32.246 31.700 -0.088 0.000 0.795 355 G N 2.014 110.772 108.800 -0.071 0.000 2.284 355 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 355 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 355 G C 0.203 175.062 174.900 -0.067 0.000 1.009 355 G CA -0.292 44.771 45.100 -0.062 0.000 0.625 355 G HN 0.534 nan 8.290 nan 0.000 0.501 356 K N 1.360 121.712 120.400 -0.081 0.000 2.107 356 K HA 0.645 4.965 4.320 -0.000 0.000 0.251 356 K C 0.350 176.877 176.600 -0.122 0.000 1.012 356 K CA -0.143 56.082 56.287 -0.103 0.000 0.920 356 K CB 1.156 33.575 32.500 -0.135 0.000 1.033 356 K HN 0.241 nan 8.250 nan 0.000 0.478 357 S N 1.109 116.735 115.700 -0.124 0.000 2.610 357 S HA 0.249 4.719 4.470 -0.000 0.000 0.273 357 S C 0.228 174.740 174.600 -0.146 0.000 1.274 357 S CA -0.804 57.324 58.200 -0.120 0.000 1.023 357 S CB 0.877 64.021 63.200 -0.094 0.000 0.962 357 S HN 0.479 nan 8.310 nan 0.000 0.523 358 R N 0.873 121.284 120.500 -0.148 0.000 2.679 358 R HA 0.532 4.871 4.340 -0.000 0.000 0.269 358 R C -1.005 175.261 176.300 -0.056 0.000 1.076 358 R CA -0.488 55.513 56.100 -0.166 0.000 1.160 358 R CB -0.090 30.024 30.300 -0.310 0.000 1.054 358 R HN 0.739 nan 8.270 nan 0.000 0.507 359 D N -0.197 120.213 120.400 0.017 0.000 2.648 359 D HA 0.119 4.759 4.640 -0.000 0.000 0.244 359 D C -0.434 175.928 176.300 0.103 0.000 1.244 359 D CA -0.831 53.276 54.000 0.179 0.000 0.772 359 D CB 0.214 41.169 40.800 0.259 0.000 1.379 359 D HN 0.360 nan 8.370 nan 0.000 0.428 360 F N -0.440 119.686 119.950 0.294 0.000 2.186 360 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 360 F C 2.073 177.734 175.800 -0.231 0.000 1.090 360 F CA 0.851 58.909 58.000 0.097 0.000 1.307 360 F CB -0.507 38.565 39.000 0.120 0.000 1.019 360 F HN 0.520 nan 8.300 nan 0.000 0.489 361 Y N 0.619 120.574 120.300 -0.575 0.000 2.081 361 Y HA -0.336 4.214 4.550 -0.000 0.000 0.280 361 Y C 2.510 178.113 175.900 -0.494 0.000 1.163 361 Y CA 2.181 59.567 58.100 -1.190 0.000 1.135 361 Y CB -0.971 36.844 38.460 -1.075 0.000 0.970 361 Y HN 0.065 nan 8.280 nan 0.000 0.498 362 H N -1.010 117.922 119.070 -0.230 0.000 2.423 362 H HA -0.085 4.471 4.556 -0.000 0.000 0.297 362 H C 2.196 177.374 175.328 -0.250 0.000 1.075 362 H CA 1.936 57.845 56.048 -0.232 0.000 1.342 362 H CB -0.339 29.391 29.762 -0.054 0.000 1.395 362 H HN 0.339 nan 8.280 nan 0.000 0.530 363 T N -0.619 113.876 114.554 -0.097 0.000 2.708 363 T HA -0.238 4.111 4.350 -0.000 0.000 0.266 363 T C 2.361 176.922 174.700 -0.232 0.000 1.037 363 T CA 1.334 63.355 62.100 -0.132 0.000 1.146 363 T CB -0.731 68.134 68.868 -0.005 0.000 0.865 363 T HN 0.572 nan 8.240 nan 0.000 0.435 364 C N 0.663 119.763 119.300 -0.334 0.000 2.432 364 C HA -0.090 4.370 4.460 -0.000 0.000 0.277 364 C C 2.327 176.887 174.990 -0.716 0.000 1.249 364 C CA 0.485 59.196 59.018 -0.512 0.000 1.725 364 C CB -1.447 25.920 27.740 -0.621 0.000 2.028 364 C HN 0.648 nan 8.230 nan 0.000 0.477 365 Y N -0.456 119.528 120.300 -0.527 0.000 2.475 365 Y HA 0.034 4.584 4.550 -0.000 0.000 0.289 365 Y C 2.803 178.501 175.900 -0.337 0.000 1.121 365 Y CA 1.085 58.844 58.100 -0.568 0.000 1.257 365 Y CB -0.502 37.440 38.460 -0.863 0.000 1.026 365 Y HN 0.389 nan 8.280 nan 0.000 0.555 366 C N -0.185 119.014 119.300 -0.168 0.000 2.466 366 C HA -0.107 4.352 4.460 -0.000 0.000 0.278 366 C C 2.645 177.583 174.990 -0.087 0.000 1.288 366 C CA 0.832 59.803 59.018 -0.078 0.000 1.722 366 C CB -1.109 26.585 27.740 -0.076 0.000 2.017 366 C HN 0.526 nan 8.230 nan 0.000 0.488 367 L N 0.272 121.400 121.223 -0.160 0.000 2.056 367 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 367 L C 2.671 179.475 176.870 -0.111 0.000 1.078 367 L CA 1.337 56.090 54.840 -0.144 0.000 0.749 367 L CB -0.759 41.179 42.059 -0.202 0.000 0.901 367 L HN 0.281 nan 8.230 nan 0.000 0.433 368 S N 0.201 115.798 115.700 -0.172 0.000 2.359 368 S HA -0.160 4.310 4.470 -0.000 0.000 0.224 368 S C 2.022 176.692 174.600 0.117 0.000 1.035 368 S CA 1.396 59.541 58.200 -0.091 0.000 1.018 368 S CB -0.662 62.302 63.200 -0.394 0.000 0.876 368 S HN 0.618 nan 8.310 nan 0.000 0.448 369 G N 1.458 110.326 108.800 0.113 0.000 2.418 369 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.217 369 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.217 369 G C 1.385 176.372 174.900 0.145 0.000 1.158 369 G CA 0.850 46.037 45.100 0.145 0.000 0.771 369 G HN 0.414 nan 8.290 nan 0.000 0.545 370 L N 1.066 122.348 121.223 0.099 0.000 2.046 370 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 370 L C 2.885 179.813 176.870 0.095 0.000 1.077 370 L CA 2.402 57.301 54.840 0.099 0.000 0.747 370 L CB -0.861 41.224 42.059 0.043 0.000 0.896 370 L HN 0.228 nan 8.230 nan 0.000 0.432 371 S N -0.646 115.110 115.700 0.093 0.000 2.359 371 S HA -0.182 4.288 4.470 -0.000 0.000 0.224 371 S C 2.044 176.770 174.600 0.210 0.000 1.035 371 S CA 1.621 59.898 58.200 0.129 0.000 1.018 371 S CB -0.319 62.984 63.200 0.173 0.000 0.876 371 S HN 0.426 nan 8.310 nan 0.000 0.448 372 I N 2.078 122.805 120.570 0.262 0.000 2.127 372 I HA -0.170 4.000 4.170 -0.000 0.000 0.241 372 I C 2.850 179.243 176.117 0.459 0.000 1.075 372 I CA 1.592 63.087 61.300 0.325 0.000 1.334 372 I CB -1.933 36.190 38.000 0.205 0.000 1.040 372 I HN 0.386 nan 8.210 nan 0.000 0.405 373 A N 0.760 123.850 122.820 0.449 0.000 2.024 373 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 373 A C 2.037 179.749 177.584 0.214 0.000 1.164 373 A CA 1.708 54.037 52.037 0.487 0.000 0.643 373 A CB -0.646 18.639 19.000 0.474 0.000 0.806 373 A HN 0.755 nan 8.150 nan 0.000 0.451 374 Q N -1.729 118.108 119.800 0.062 0.000 2.219 374 Q HA 0.136 4.476 4.340 -0.000 0.000 0.209 374 Q C -0.756 175.085 176.000 -0.265 0.000 0.854 374 Q CA -0.169 55.538 55.803 -0.161 0.000 0.960 374 Q CB 0.256 28.823 28.738 -0.285 0.000 1.116 374 Q HN 0.622 nan 8.270 nan 0.000 0.500 375 H N 0.451 119.639 119.070 0.197 0.000 2.906 375 H HA 0.334 4.890 4.556 -0.000 0.000 0.324 375 H C -1.974 173.515 175.328 0.267 0.000 0.973 375 H CA -1.114 55.038 56.048 0.173 0.000 1.321 375 H CB 0.863 30.729 29.762 0.172 0.000 1.535 375 H HN 0.167 nan 8.280 nan 0.000 0.518 376 F N 1.922 121.827 119.950 -0.076 0.000 2.450 376 F HA 0.665 5.192 4.527 -0.000 0.000 0.332 376 F C -0.146 175.464 175.800 -0.317 0.000 1.093 376 F CA -0.368 57.284 58.000 -0.579 0.000 1.003 376 F CB 1.923 40.370 39.000 -0.922 0.000 1.151 376 F HN 0.571 nan 8.300 nan 0.000 0.474 377 G N 2.378 110.327 108.800 -1.418 0.000 2.552 377 G HA2 0.410 4.370 3.960 -0.000 0.000 0.288 377 G HA3 0.410 4.370 3.960 -0.000 0.000 0.288 377 G C -1.848 172.522 174.900 -0.883 0.000 1.358 377 G CA -0.631 43.974 45.100 -0.826 0.000 1.305 377 G HN 0.733 nan 8.290 nan 0.000 0.602 378 S N 1.926 117.211 115.700 -0.692 0.000 2.158 378 S HA 0.610 5.080 4.470 -0.000 0.000 0.160 378 S C 1.148 175.657 174.600 -0.150 0.000 1.693 378 S CA 0.973 58.995 58.200 -0.297 0.000 1.251 378 S CB -0.447 62.780 63.200 0.044 0.000 1.153 378 S HN 2.477 nan 8.310 nan 0.000 0.439 379 G N 3.313 112.023 108.800 -0.151 0.000 2.728 379 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.269 379 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.269 379 G C 1.064 175.943 174.900 -0.035 0.000 1.334 379 G CA 0.109 45.160 45.100 -0.081 0.000 0.974 379 G HN 1.489 nan 8.290 nan 0.000 0.550 380 A N -0.450 122.372 122.820 0.005 0.000 2.030 380 A HA 0.637 4.957 4.320 -0.000 0.000 0.215 380 A C 1.380 178.978 177.584 0.024 0.000 1.164 380 A CA 1.868 53.915 52.037 0.017 0.000 0.697 380 A CB -0.127 18.893 19.000 0.033 0.000 0.827 380 A HN 0.715 nan 8.150 nan 0.000 0.457 381 M N -0.095 119.532 119.600 0.045 0.000 2.243 381 M HA 0.480 4.960 4.480 -0.000 0.000 0.341 381 M C -0.707 175.631 176.300 0.064 0.000 1.130 381 M CA 0.743 56.097 55.300 0.090 0.000 1.162 381 M CB 0.565 33.285 32.600 0.201 0.000 1.497 381 M HN 0.192 nan 8.290 nan 0.000 0.456 382 L N 2.521 123.810 121.223 0.109 0.000 2.580 382 L HA 0.384 4.724 4.340 -0.000 0.000 0.266 382 L C -1.478 175.497 176.870 0.176 0.000 0.955 382 L CA -0.583 54.316 54.840 0.098 0.000 0.886 382 L CB 1.781 43.856 42.059 0.028 0.000 1.263 382 L HN 0.669 nan 8.230 nan 0.000 0.406 383 H N 1.514 120.628 119.070 0.073 0.000 2.759 383 H HA 0.561 5.116 4.556 -0.000 0.000 0.354 383 H C -1.595 173.692 175.328 -0.068 0.000 1.074 383 H CA -0.361 55.650 56.048 -0.062 0.000 1.226 383 H CB 1.845 31.456 29.762 -0.253 0.000 1.648 383 H HN 0.423 nan 8.280 nan 0.000 0.529 384 D N 2.480 122.563 120.400 -0.528 0.000 2.326 384 D HA 0.528 5.168 4.640 -0.000 0.000 0.248 384 D C -0.720 175.262 176.300 -0.530 0.000 1.001 384 D CA -0.455 53.335 54.000 -0.350 0.000 0.961 384 D CB 2.321 43.065 40.800 -0.095 0.000 1.183 384 D HN 0.245 nan 8.370 nan 0.000 0.502 385 V N 1.259 120.999 119.914 -0.290 0.000 2.555 385 V HA 0.226 4.346 4.120 -0.000 0.000 0.283 385 V C -0.818 175.202 176.094 -0.124 0.000 1.020 385 V CA -0.710 61.473 62.300 -0.196 0.000 0.883 385 V CB 1.816 33.562 31.823 -0.128 0.000 1.030 385 V HN 0.292 nan 8.190 nan 0.000 0.448 386 V N 5.510 125.366 119.914 -0.096 0.000 2.326 386 V HA 0.465 4.585 4.120 -0.000 0.000 0.281 386 V C 0.248 176.320 176.094 -0.037 0.000 1.015 386 V CA -0.516 61.743 62.300 -0.067 0.000 0.823 386 V CB 1.497 33.283 31.823 -0.060 0.000 1.009 386 V HN 0.704 nan 8.190 nan 0.000 0.436 387 M N 3.097 122.685 119.600 -0.020 0.000 2.242 387 M HA 0.513 4.993 4.480 -0.000 0.000 0.344 387 M C 1.091 177.384 176.300 -0.012 0.000 1.140 387 M CA 1.010 56.303 55.300 -0.010 0.000 1.160 387 M CB 0.436 33.040 32.600 0.007 0.000 1.491 387 M HN 0.954 nan 8.290 nan 0.000 0.459 388 G N 1.201 109.990 108.800 -0.020 0.000 2.598 388 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.244 388 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.244 388 G C -0.297 174.594 174.900 -0.015 0.000 1.302 388 G CA -0.313 44.775 45.100 -0.020 0.000 0.903 388 G HN 1.178 nan 8.290 nan 0.000 0.575 389 V N -1.634 118.274 119.914 -0.010 0.000 2.872 389 V HA 0.441 4.561 4.120 -0.000 0.000 0.307 389 V C -0.509 175.581 176.094 -0.007 0.000 1.072 389 V CA 0.086 62.381 62.300 -0.008 0.000 1.148 389 V CB 0.894 32.715 31.823 -0.004 0.000 0.954 389 V HN 0.582 nan 8.190 nan 0.000 0.490 390 P HA -0.051 nan 4.420 nan 0.000 0.222 390 P C 1.110 178.410 177.300 -0.001 0.000 1.147 390 P CA 1.103 64.199 63.100 -0.006 0.000 0.790 390 P CB 0.154 31.850 31.700 -0.006 0.000 0.780 391 E N -1.116 119.084 120.200 0.000 0.000 2.418 391 E HA -0.093 4.257 4.350 -0.000 0.000 0.197 391 E C 1.545 178.151 176.600 0.009 0.000 1.026 391 E CA 0.480 56.882 56.400 0.003 0.000 0.862 391 E CB -0.846 28.854 29.700 -0.001 0.000 0.799 391 E HN 0.245 nan 8.360 nan 0.000 0.518 392 N N 0.242 118.947 118.700 0.008 0.000 2.309 392 N HA -0.086 4.654 4.740 -0.000 0.000 0.182 392 N C 0.436 175.951 175.510 0.008 0.000 1.018 392 N CA 0.250 53.308 53.050 0.012 0.000 0.876 392 N CB -0.192 38.300 38.487 0.008 0.000 0.972 392 N HN 0.102 nan 8.380 nan 0.000 0.434 393 V N 2.363 122.279 119.914 0.003 0.000 2.584 393 V HA -0.069 4.051 4.120 -0.000 0.000 0.303 393 V C 0.162 176.286 176.094 0.050 0.000 1.035 393 V CA 0.292 62.597 62.300 0.009 0.000 1.172 393 V CB -0.266 31.579 31.823 0.037 0.000 0.896 393 V HN 0.032 nan 8.190 nan 0.000 0.486 394 L N 5.806 127.071 121.223 0.070 0.000 2.376 394 L HA 0.546 4.886 4.340 -0.000 0.000 0.267 394 L C 0.201 177.197 176.870 0.210 0.000 1.035 394 L CA -0.990 53.908 54.840 0.097 0.000 0.800 394 L CB 1.043 43.132 42.059 0.050 0.000 1.290 394 L HN 0.472 nan 8.230 nan 0.000 0.462 395 Q N 1.776 121.647 119.800 0.118 0.000 2.373 395 Q HA 0.245 4.585 4.340 -0.000 0.000 0.255 395 Q C -2.241 173.845 176.000 0.144 0.000 0.980 395 Q CA -1.533 54.328 55.803 0.097 0.000 0.882 395 Q CB 0.673 29.433 28.738 0.038 0.000 1.249 395 Q HN 0.258 nan 8.270 nan 0.000 0.438 396 P HA 0.053 nan 4.420 nan 0.000 0.274 396 P C -0.512 176.888 177.300 0.168 0.000 1.231 396 P CA -0.123 63.037 63.100 0.100 0.000 0.790 396 P CB 0.917 32.549 31.700 -0.112 0.000 0.951 397 T N 0.416 115.111 114.554 0.235 0.000 2.876 397 T HA 0.182 4.532 4.350 -0.000 0.000 0.289 397 T C -0.644 174.247 174.700 0.317 0.000 1.014 397 T CA -0.513 61.765 62.100 0.295 0.000 0.986 397 T CB 0.304 69.370 68.868 0.331 0.000 1.021 397 T HN 0.386 nan 8.240 nan 0.000 0.458 398 H N 6.207 125.441 119.070 0.273 0.000 2.848 398 H HA 0.208 4.763 4.556 -0.000 0.000 0.317 398 H C -1.557 173.977 175.328 0.344 0.000 1.046 398 H CA -1.605 54.615 56.048 0.286 0.000 1.470 398 H CB 1.768 31.727 29.762 0.328 0.000 1.483 398 H HN 0.449 nan 8.280 nan 0.000 0.548 399 P HA -0.126 nan 4.420 nan 0.000 0.225 399 P C 1.152 178.756 177.300 0.506 0.000 1.148 399 P CA 0.576 63.863 63.100 0.312 0.000 0.779 399 P CB 0.613 32.320 31.700 0.013 0.000 0.780 400 V N -1.947 118.353 119.914 0.645 0.000 2.672 400 V HA -0.063 4.057 4.120 -0.000 0.000 0.242 400 V C 2.109 178.407 176.094 0.341 0.000 1.059 400 V CA 1.370 63.861 62.300 0.319 0.000 1.081 400 V CB -1.042 30.777 31.823 -0.006 0.000 0.752 400 V HN -0.037 nan 8.190 nan 0.000 0.472 401 Y N -0.578 120.036 120.300 0.523 0.000 2.507 401 Y HA 0.298 4.848 4.550 -0.000 0.000 0.263 401 Y C 1.341 177.488 175.900 0.413 0.000 1.093 401 Y CA 0.163 58.511 58.100 0.413 0.000 1.285 401 Y CB 0.055 38.559 38.460 0.073 0.000 1.115 401 Y HN 0.373 nan 8.280 nan 0.000 0.533 402 N N 1.005 120.033 118.700 0.546 0.000 2.756 402 N HA -0.191 4.549 4.740 -0.000 0.000 0.248 402 N C -0.939 174.516 175.510 -0.093 0.000 1.062 402 N CA 0.923 54.108 53.050 0.226 0.000 0.696 402 N CB -1.477 36.994 38.487 -0.026 0.000 0.946 402 N HN 0.631 nan 8.380 nan 0.000 0.548 403 I N -4.261 116.403 120.570 0.156 0.000 3.191 403 I HA 0.751 4.921 4.170 -0.000 0.000 0.313 403 I C 0.960 177.242 176.117 0.276 0.000 1.193 403 I CA -1.044 60.346 61.300 0.150 0.000 0.968 403 I CB 1.483 39.548 38.000 0.110 0.000 1.262 403 I HN 0.016 nan 8.210 nan 0.000 0.456 404 G N 2.073 111.019 108.800 0.244 0.000 2.353 404 G HA2 0.285 4.245 3.960 -0.000 0.000 0.239 404 G HA3 0.285 4.245 3.960 -0.000 0.000 0.239 404 G C -1.959 173.062 174.900 0.201 0.000 1.295 404 G CA -0.703 44.518 45.100 0.203 0.000 0.884 404 G HN 0.601 nan 8.290 nan 0.000 0.537 405 P HA -0.146 nan 4.420 nan 0.000 0.217 405 P C 1.567 178.969 177.300 0.171 0.000 1.148 405 P CA 1.576 64.835 63.100 0.266 0.000 0.828 405 P CB 0.212 32.028 31.700 0.194 0.000 0.783 406 D N -0.863 119.607 120.400 0.117 0.000 2.183 406 D HA -0.143 4.497 4.640 -0.000 0.000 0.203 406 D C 1.407 177.753 176.300 0.077 0.000 0.969 406 D CA 1.070 55.120 54.000 0.084 0.000 0.842 406 D CB -0.499 40.339 40.800 0.063 0.000 0.957 406 D HN 0.100 nan 8.370 nan 0.000 0.484 407 K N 0.966 121.414 120.400 0.080 0.000 2.103 407 K HA 0.004 4.324 4.320 -0.000 0.000 0.204 407 K C 2.501 179.120 176.600 0.032 0.000 1.052 407 K CA 0.287 56.615 56.287 0.069 0.000 0.945 407 K CB -0.701 31.840 32.500 0.068 0.000 0.722 407 K HN 0.158 nan 8.250 nan 0.000 0.443 408 V N 2.277 122.187 119.914 -0.007 0.000 2.233 408 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 408 V C 2.434 178.491 176.094 -0.062 0.000 1.050 408 V CA 1.708 63.925 62.300 -0.138 0.000 1.010 408 V CB -0.468 31.259 31.823 -0.161 0.000 0.637 408 V HN 0.175 nan 8.190 nan 0.000 0.444 409 I N -0.345 120.240 120.570 0.025 0.000 2.208 409 I HA -0.351 3.819 4.170 -0.000 0.000 0.245 409 I C 2.675 178.815 176.117 0.037 0.000 1.097 409 I CA 2.132 63.458 61.300 0.042 0.000 1.363 409 I CB -0.462 37.578 38.000 0.067 0.000 1.051 409 I HN 0.422 nan 8.210 nan 0.000 0.413 410 Q N 0.994 120.828 119.800 0.056 0.000 2.050 410 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 410 Q C 2.332 178.370 176.000 0.063 0.000 0.980 410 Q CA 2.054 57.906 55.803 0.082 0.000 0.840 410 Q CB -0.101 28.710 28.738 0.121 0.000 0.898 410 Q HN 0.538 nan 8.270 nan 0.000 0.424 411 A N 0.239 123.095 122.820 0.060 0.000 1.898 411 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 411 A C 2.291 179.895 177.584 0.035 0.000 1.181 411 A CA 2.036 54.052 52.037 -0.035 0.000 0.620 411 A CB -1.243 17.818 19.000 0.102 0.000 0.819 411 A HN 0.682 nan 8.150 nan 0.000 0.442 412 T N -3.032 111.531 114.554 0.015 0.000 2.746 412 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 412 T C 1.813 176.531 174.700 0.031 0.000 1.039 412 T CA 2.164 64.283 62.100 0.032 0.000 1.142 412 T CB -1.140 67.723 68.868 -0.008 0.000 0.866 412 T HN 0.303 nan 8.240 nan 0.000 0.444 413 T N 0.778 115.337 114.554 0.009 0.000 2.788 413 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 413 T C 1.724 176.391 174.700 -0.054 0.000 1.044 413 T CA 1.784 63.881 62.100 -0.006 0.000 1.139 413 T CB -0.560 68.315 68.868 0.012 0.000 0.867 413 T HN 0.777 nan 8.240 nan 0.000 0.454 414 H N 0.133 119.071 119.070 -0.219 0.000 2.326 414 H HA 0.040 4.596 4.556 -0.000 0.000 0.301 414 H C 1.594 176.647 175.328 -0.458 0.000 1.081 414 H CA 1.468 57.272 56.048 -0.407 0.000 1.334 414 H CB -0.436 28.845 29.762 -0.802 0.000 1.385 414 H HN 0.391 nan 8.280 nan 0.000 0.504 415 F N -0.203 119.595 119.950 -0.253 0.000 2.661 415 F HA 0.041 4.568 4.527 -0.000 0.000 0.298 415 F C 1.836 177.535 175.800 -0.169 0.000 1.137 415 F CA 0.260 58.126 58.000 -0.223 0.000 1.454 415 F CB 0.105 39.028 39.000 -0.129 0.000 1.103 415 F HN 0.161 nan 8.300 nan 0.000 0.577 416 L N -0.485 120.728 121.223 -0.017 0.000 2.478 416 L HA -0.104 4.236 4.340 -0.000 0.000 0.223 416 L C 1.973 178.804 176.870 -0.064 0.000 1.140 416 L CA 0.638 55.469 54.840 -0.015 0.000 0.842 416 L CB -0.397 41.658 42.059 -0.006 0.000 0.953 416 L HN 0.200 nan 8.230 nan 0.000 0.452 417 Q N 0.449 120.158 119.800 -0.152 0.000 2.297 417 Q HA -0.061 4.279 4.340 -0.000 0.000 0.204 417 Q C 0.134 176.062 176.000 -0.119 0.000 0.962 417 Q CA 0.735 56.444 55.803 -0.157 0.000 0.879 417 Q CB 0.165 28.749 28.738 -0.256 0.000 0.947 417 Q HN 0.390 nan 8.270 nan 0.000 0.462 418 K N 1.431 121.768 120.400 -0.104 0.000 2.156 418 K HA 0.468 4.787 4.320 -0.000 0.000 0.250 418 K C -2.706 173.892 176.600 -0.003 0.000 0.955 418 K CA -2.233 54.027 56.287 -0.045 0.000 0.855 418 K CB 1.093 33.579 32.500 -0.024 0.000 1.101 418 K HN -0.230 nan 8.250 nan 0.000 0.434 419 P HA 0.134 nan 4.420 nan 0.000 0.278 419 P C -0.144 177.175 177.300 0.032 0.000 1.258 419 P CA -0.621 62.489 63.100 0.017 0.000 0.811 419 P CB 0.741 32.448 31.700 0.012 0.000 1.063 420 V N 2.951 122.886 119.914 0.035 0.000 2.585 420 V HA 0.036 4.156 4.120 -0.000 0.000 0.296 420 V C -1.806 174.313 176.094 0.041 0.000 1.035 420 V CA -0.882 61.444 62.300 0.043 0.000 1.084 420 V CB -0.600 31.250 31.823 0.047 0.000 0.953 420 V HN 0.575 nan 8.190 nan 0.000 0.483 421 P HA 0.193 nan 4.420 nan 0.000 0.256 421 P C 0.576 177.900 177.300 0.039 0.000 1.173 421 P CA 1.801 64.926 63.100 0.042 0.000 0.768 421 P CB -0.137 31.593 31.700 0.051 0.000 0.758 422 G N 0.000 108.814 108.800 0.024 0.000 5.446 422 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 422 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 422 G CA 0.000 45.108 45.100 0.014 0.000 0.502 422 G HN 0.000 nan 8.290 nan 0.000 0.925