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 3euq_1_B DATA FIRST_RESID 10 DATA SEQUENCE LGLSITGLGV QYPPYSLGPD AIDILSKRYH PESPAMKKVL AINRYTGIDQ DATA SEQUENCE RSSIGNPDHP LVNKPNPPTV KELHEVFMSD GVPLAVEASR KAMAEARLVP DATA SEQUENCE AQITHMVSTT CTDSANPGYD HYVAKELGLS DRLEKVLLHG IGXSGGLAAL DATA SEQUENCE RTAANLCLGH TARGKPARIL VLALEVSTTM VRSELESIDA LQETRIGIAL DATA SEQUENCE FSDCASAVIL SNGIGEAPGK PAIYDLLGWE NRVIPDSEHD LGGDVDPMGW DATA SEQUENCE KVVLSPRVPV LAKASLQPTY ADLLSSLQDQ LPSSYQKPAD FDWAMHPGGA DATA SEQUENCE TILSGAESAM GLTPEHMRAS YDRYINHGNS SSATIFSVLN RLREKDMDAL DATA SEQUENCE APGGKVKEYV VGCAFGPGIN VEMCMLKRR 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 10 L HA 0.000 nan 4.340 nan 0.000 0.249 10 L C 0.000 176.903 176.870 0.055 0.000 1.165 10 L CA 0.000 54.870 54.840 0.050 0.000 0.813 10 L CB 0.000 42.106 42.059 0.078 0.000 0.961 11 G N 2.272 111.098 108.800 0.045 0.000 2.176 11 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.252 11 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.252 11 G C -0.110 174.813 174.900 0.037 0.000 1.024 11 G CA 0.489 45.610 45.100 0.035 0.000 0.755 11 G HN 0.201 nan 8.290 nan 0.000 0.507 12 L N 1.295 122.551 121.223 0.055 0.000 2.282 12 L HA 0.701 5.040 4.340 -0.001 0.000 0.288 12 L C 0.526 177.419 176.870 0.038 0.000 1.033 12 L CA -0.212 54.656 54.840 0.047 0.000 0.807 12 L CB 1.858 43.968 42.059 0.085 0.000 1.209 12 L HN 0.412 nan 8.230 nan 0.000 0.423 13 S N 2.620 118.327 115.700 0.012 0.000 2.564 13 S HA 0.664 5.133 4.470 -0.001 0.000 0.274 13 S C -0.758 173.840 174.600 -0.004 0.000 1.124 13 S CA -0.871 57.339 58.200 0.015 0.000 0.869 13 S CB 1.750 64.956 63.200 0.009 0.000 1.105 13 S HN 0.409 nan 8.310 nan 0.000 0.472 14 I N 2.744 123.328 120.570 0.023 0.000 2.337 14 I HA 0.232 4.402 4.170 -0.001 0.000 0.291 14 I C 1.376 177.494 176.117 0.002 0.000 1.046 14 I CA -0.284 61.019 61.300 0.005 0.000 1.324 14 I CB 1.387 39.421 38.000 0.057 0.000 1.409 14 I HN 1.025 nan 8.210 nan 0.000 0.494 15 T N 1.008 115.544 114.554 -0.031 0.000 3.040 15 T HA 0.371 4.720 4.350 -0.001 0.000 0.250 15 T C 0.594 175.271 174.700 -0.038 0.000 1.058 15 T CA -0.121 61.959 62.100 -0.034 0.000 0.988 15 T CB 0.430 69.277 68.868 -0.034 0.000 0.993 15 T HN 0.669 nan 8.240 nan 0.000 0.519 16 G N 0.736 109.509 108.800 -0.045 0.000 2.703 16 G HA2 0.576 4.535 3.960 -0.001 0.000 0.294 16 G HA3 0.576 4.535 3.960 -0.001 0.000 0.294 16 G C -2.332 172.531 174.900 -0.062 0.000 1.451 16 G CA -0.928 44.145 45.100 -0.045 0.000 0.869 16 G HN 0.262 nan 8.290 nan 0.000 0.516 17 L N 0.104 121.302 121.223 -0.042 0.000 2.472 17 L HA 0.884 5.223 4.340 -0.001 0.000 0.260 17 L C 0.268 177.125 176.870 -0.023 0.000 0.963 17 L CA -0.499 54.312 54.840 -0.049 0.000 0.829 17 L CB 2.515 44.574 42.059 -0.000 0.000 1.348 17 L HN 0.990 nan 8.230 nan 0.000 0.408 18 G N 0.945 109.729 108.800 -0.026 0.000 2.719 18 G HA2 0.701 4.660 3.960 -0.001 0.000 0.298 18 G HA3 0.701 4.660 3.960 -0.001 0.000 0.298 18 G C -1.876 173.014 174.900 -0.017 0.000 1.433 18 G CA -0.578 44.512 45.100 -0.015 0.000 1.034 18 G HN 0.331 nan 8.290 nan 0.000 0.517 19 V N 1.176 121.072 119.914 -0.030 0.000 2.656 19 V HA 0.654 4.774 4.120 -0.001 0.000 0.307 19 V C -0.531 175.495 176.094 -0.112 0.000 1.051 19 V CA -0.799 61.441 62.300 -0.099 0.000 0.893 19 V CB 1.926 33.675 31.823 -0.123 0.000 0.999 19 V HN 0.759 nan 8.190 nan 0.000 0.426 20 Q N 3.135 122.828 119.800 -0.178 0.000 2.490 20 Q HA 0.459 4.799 4.340 -0.001 0.000 0.255 20 Q C -1.659 174.240 176.000 -0.169 0.000 0.997 20 Q CA -0.321 55.413 55.803 -0.115 0.000 0.709 20 Q CB 0.897 29.595 28.738 -0.068 0.000 1.255 20 Q HN 0.633 nan 8.270 nan 0.000 0.486 21 Y N 3.748 124.011 120.300 -0.061 0.000 2.336 21 Y HA 0.352 4.901 4.550 -0.001 0.000 0.331 21 Y C -1.594 174.277 175.900 -0.048 0.000 1.211 21 Y CA -1.572 56.497 58.100 -0.051 0.000 1.346 21 Y CB 0.347 38.782 38.460 -0.042 0.000 1.271 21 Y HN 0.532 nan 8.280 nan 0.000 0.538 22 P HA 0.077 nan 4.420 nan 0.000 0.272 22 P C -2.269 174.975 177.300 -0.093 0.000 1.240 22 P CA -1.418 61.687 63.100 0.010 0.000 0.791 22 P CB 0.525 32.254 31.700 0.049 0.000 0.978 23 P HA -0.027 nan 4.420 nan 0.000 0.223 23 P C -0.228 176.705 177.300 -0.611 0.000 1.151 23 P CA 1.327 64.071 63.100 -0.594 0.000 0.787 23 P CB -0.171 30.956 31.700 -0.955 0.000 0.788 24 Y N -1.125 119.202 120.300 0.046 0.000 2.376 24 Y HA 0.513 5.062 4.550 -0.001 0.000 0.325 24 Y C 0.823 176.733 175.900 0.015 0.000 1.199 24 Y CA -0.874 57.244 58.100 0.029 0.000 1.206 24 Y CB 0.812 39.293 38.460 0.035 0.000 1.229 24 Y HN -0.354 nan 8.280 nan 0.000 0.480 25 S N 2.568 118.352 115.700 0.140 0.000 2.552 25 S HA 0.528 4.997 4.470 -0.001 0.000 0.314 25 S C -0.851 173.778 174.600 0.048 0.000 1.099 25 S CA -0.781 57.445 58.200 0.044 0.000 1.070 25 S CB 0.448 63.633 63.200 -0.026 0.000 0.998 25 S HN 0.450 nan 8.310 nan 0.000 0.474 26 L N 3.366 124.608 121.223 0.031 0.000 2.260 26 L HA 0.477 4.816 4.340 -0.001 0.000 0.289 26 L C 1.131 177.994 176.870 -0.012 0.000 1.057 26 L CA -0.492 54.360 54.840 0.020 0.000 0.811 26 L CB 0.540 42.616 42.059 0.027 0.000 1.184 26 L HN 0.727 nan 8.230 nan 0.000 0.429 27 G N 3.192 111.986 108.800 -0.010 0.000 2.599 27 G HA2 0.274 4.234 3.960 -0.001 0.000 0.264 27 G HA3 0.274 4.234 3.960 -0.001 0.000 0.264 27 G C -1.495 173.391 174.900 -0.023 0.000 1.200 27 G CA -0.938 44.148 45.100 -0.024 0.000 0.896 27 G HN 0.471 nan 8.290 nan 0.000 0.536 28 P HA -0.140 nan 4.420 nan 0.000 0.218 28 P C 1.137 178.427 177.300 -0.017 0.000 1.148 28 P CA 1.524 64.605 63.100 -0.032 0.000 0.822 28 P CB 0.039 31.718 31.700 -0.034 0.000 0.784 29 D N 0.538 120.932 120.400 -0.009 0.000 2.221 29 D HA -0.157 4.483 4.640 -0.001 0.000 0.204 29 D C 1.827 178.132 176.300 0.008 0.000 0.982 29 D CA 1.279 55.278 54.000 -0.001 0.000 0.857 29 D CB -0.762 40.038 40.800 -0.000 0.000 0.934 29 D HN 0.149 nan 8.370 nan 0.000 0.475 30 A N 2.015 124.841 122.820 0.010 0.000 1.883 30 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 30 A C 2.542 180.148 177.584 0.037 0.000 1.186 30 A CA 1.832 53.883 52.037 0.024 0.000 0.624 30 A CB -0.905 18.110 19.000 0.026 0.000 0.822 30 A HN 0.486 nan 8.150 nan 0.000 0.444 31 I N -2.474 118.114 120.570 0.030 0.000 2.439 31 I HA -0.139 4.031 4.170 -0.001 0.000 0.251 31 I C 1.396 177.542 176.117 0.048 0.000 1.139 31 I CA 1.794 63.121 61.300 0.044 0.000 1.438 31 I CB -0.686 37.333 38.000 0.032 0.000 1.085 31 I HN 0.042 nan 8.210 nan 0.000 0.427 32 D N 2.273 122.690 120.400 0.028 0.000 2.116 32 D HA -0.188 4.451 4.640 -0.001 0.000 0.193 32 D C 2.295 178.613 176.300 0.030 0.000 0.998 32 D CA 1.769 55.784 54.000 0.025 0.000 0.836 32 D CB -0.396 40.411 40.800 0.012 0.000 0.951 32 D HN 0.487 nan 8.370 nan 0.000 0.449 33 I N 0.305 120.892 120.570 0.027 0.000 2.099 33 I HA -0.270 3.899 4.170 -0.001 0.000 0.239 33 I C 2.421 178.559 176.117 0.035 0.000 1.066 33 I CA 0.994 62.306 61.300 0.020 0.000 1.324 33 I CB -0.228 37.785 38.000 0.021 0.000 1.037 33 I HN -0.027 nan 8.210 nan 0.000 0.401 34 L N -0.515 120.762 121.223 0.090 0.000 2.156 34 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 34 L C 2.679 179.678 176.870 0.215 0.000 1.095 34 L CA 0.836 55.788 54.840 0.188 0.000 0.770 34 L CB -0.463 41.731 42.059 0.225 0.000 0.914 34 L HN 0.201 nan 8.230 nan 0.000 0.439 35 S N -0.065 115.732 115.700 0.161 0.000 2.359 35 S HA -0.249 4.221 4.470 -0.001 0.000 0.224 35 S C 2.105 176.786 174.600 0.136 0.000 1.035 35 S CA 1.625 59.938 58.200 0.188 0.000 1.018 35 S CB -0.030 63.236 63.200 0.110 0.000 0.876 35 S HN 0.311 nan 8.310 nan 0.000 0.448 36 K N 0.220 120.647 120.400 0.046 0.000 2.167 36 K HA 0.068 4.388 4.320 -0.001 0.000 0.203 36 K C 2.451 178.994 176.600 -0.095 0.000 1.052 36 K CA 0.550 56.833 56.287 -0.007 0.000 0.956 36 K CB -0.101 32.388 32.500 -0.017 0.000 0.735 36 K HN 0.208 nan 8.250 nan 0.000 0.451 37 R N -0.807 119.581 120.500 -0.187 0.000 2.115 37 R HA -0.115 4.224 4.340 -0.001 0.000 0.230 37 R C 0.861 176.710 176.300 -0.751 0.000 1.111 37 R CA 1.464 57.265 56.100 -0.497 0.000 0.976 37 R CB 0.139 30.050 30.300 -0.648 0.000 0.870 37 R HN 0.227 nan 8.270 nan 0.000 0.445 38 Y N -2.487 117.739 120.300 -0.122 0.000 2.432 38 Y HA 0.286 4.835 4.550 -0.001 0.000 0.252 38 Y C -0.353 175.178 175.900 -0.615 0.000 1.097 38 Y CA -0.328 57.571 58.100 -0.335 0.000 1.250 38 Y CB 0.769 39.005 38.460 -0.372 0.000 1.245 38 Y HN 0.011 nan 8.280 nan 0.000 0.522 39 H N -0.574 118.554 119.070 0.098 0.000 2.851 39 H HA 0.394 4.950 4.556 -0.001 0.000 0.372 39 H C -2.471 172.874 175.328 0.029 0.000 1.158 39 H CA -2.252 53.836 56.048 0.066 0.000 1.159 39 H CB 1.567 31.371 29.762 0.070 0.000 1.757 39 H HN -0.214 nan 8.280 nan 0.000 0.546 40 P HA 0.028 nan 4.420 nan 0.000 0.272 40 P C -0.467 176.881 177.300 0.081 0.000 1.240 40 P CA -0.361 62.788 63.100 0.082 0.000 0.791 40 P CB 0.912 32.650 31.700 0.063 0.000 0.978 41 E N 0.102 120.331 120.200 0.049 0.000 2.452 41 E HA 0.220 4.570 4.350 -0.001 0.000 0.261 41 E C 0.198 176.817 176.600 0.031 0.000 0.987 41 E CA 0.506 56.928 56.400 0.037 0.000 0.926 41 E CB 0.166 29.880 29.700 0.024 0.000 0.934 41 E HN 0.475 nan 8.360 nan 0.000 0.452 42 S N 1.866 117.579 115.700 0.023 0.000 2.556 42 S HA 0.353 4.822 4.470 -0.001 0.000 0.271 42 S C -2.460 172.146 174.600 0.009 0.000 1.135 42 S CA -1.487 56.722 58.200 0.014 0.000 0.858 42 S CB 2.022 65.225 63.200 0.006 0.000 1.114 42 S HN 0.080 nan 8.310 nan 0.000 0.468 43 P HA -0.103 nan 4.420 nan 0.000 0.216 43 P C 1.578 178.881 177.300 0.005 0.000 1.157 43 P CA 2.425 65.529 63.100 0.008 0.000 0.880 43 P CB -0.111 31.594 31.700 0.008 0.000 0.791 44 A N -1.547 121.272 122.820 -0.001 0.000 1.897 44 A HA -0.168 4.152 4.320 -0.001 0.000 0.215 44 A C 2.221 179.798 177.584 -0.012 0.000 1.181 44 A CA 1.841 53.874 52.037 -0.006 0.000 0.620 44 A CB -1.385 17.608 19.000 -0.012 0.000 0.821 44 A HN 0.084 nan 8.150 nan 0.000 0.443 45 M N 0.381 119.972 119.600 -0.016 0.000 2.080 45 M HA -0.152 4.328 4.480 -0.001 0.000 0.260 45 M C 1.842 178.139 176.300 -0.004 0.000 1.068 45 M CA 1.870 57.161 55.300 -0.015 0.000 1.109 45 M CB -0.482 32.112 32.600 -0.009 0.000 1.342 45 M HN 0.386 nan 8.290 nan 0.000 0.405 46 K N -0.455 119.947 120.400 0.003 0.000 2.063 46 K HA -0.173 4.146 4.320 -0.001 0.000 0.208 46 K C 1.862 178.465 176.600 0.005 0.000 1.048 46 K CA 1.264 57.556 56.287 0.007 0.000 0.928 46 K CB -0.258 32.249 32.500 0.012 0.000 0.713 46 K HN 0.268 nan 8.250 nan 0.000 0.442 47 K N 0.719 121.122 120.400 0.005 0.000 2.057 47 K HA -0.083 4.236 4.320 -0.001 0.000 0.207 47 K C 2.202 178.791 176.600 -0.018 0.000 1.049 47 K CA 0.966 57.258 56.287 0.007 0.000 0.931 47 K CB -0.648 31.860 32.500 0.013 0.000 0.714 47 K HN 0.010 nan 8.250 nan 0.000 0.440 48 V N 2.146 122.044 119.914 -0.026 0.000 2.358 48 V HA -0.181 3.939 4.120 -0.001 0.000 0.246 48 V C 2.464 178.517 176.094 -0.068 0.000 1.047 48 V CA 1.314 63.585 62.300 -0.048 0.000 1.035 48 V CB -0.507 31.298 31.823 -0.031 0.000 0.658 48 V HN 0.173 nan 8.190 nan 0.000 0.452 49 L N 0.064 121.262 121.223 -0.042 0.000 2.083 49 L HA -0.159 4.180 4.340 -0.001 0.000 0.209 49 L C 2.750 179.585 176.870 -0.059 0.000 1.083 49 L CA 1.554 56.370 54.840 -0.040 0.000 0.752 49 L CB -0.870 41.182 42.059 -0.012 0.000 0.899 49 L HN 0.379 nan 8.230 nan 0.000 0.433 50 A N 0.537 123.330 122.820 -0.044 0.000 1.877 50 A HA -0.179 4.140 4.320 -0.001 0.000 0.216 50 A C 2.204 179.650 177.584 -0.229 0.000 1.186 50 A CA 1.469 53.490 52.037 -0.026 0.000 0.620 50 A CB -0.643 18.396 19.000 0.066 0.000 0.822 50 A HN 0.316 nan 8.150 nan 0.000 0.443 51 I N 0.000 120.366 120.570 -0.341 0.000 2.264 51 I HA -0.287 3.882 4.170 -0.001 0.000 0.248 51 I C 2.336 178.046 176.117 -0.678 0.000 1.111 51 I CA 1.634 62.476 61.300 -0.763 0.000 1.382 51 I CB -0.427 37.356 38.000 -0.362 0.000 1.060 51 I HN 0.442 nan 8.210 nan 0.000 0.418 52 N N 0.977 119.476 118.700 -0.335 0.000 2.258 52 N HA -0.212 4.527 4.740 -0.001 0.000 0.187 52 N C 1.789 177.183 175.510 -0.194 0.000 1.012 52 N CA 1.299 54.218 53.050 -0.217 0.000 0.870 52 N CB 0.057 38.471 38.487 -0.123 0.000 0.977 52 N HN 0.102 nan 8.380 nan 0.000 0.434 53 R N -0.554 119.826 120.500 -0.199 0.000 2.240 53 R HA -0.027 4.312 4.340 -0.001 0.000 0.203 53 R C 0.526 176.841 176.300 0.025 0.000 1.011 53 R CA 0.636 56.700 56.100 -0.060 0.000 1.007 53 R CB -0.457 29.855 30.300 0.021 0.000 0.911 53 R HN 0.668 nan 8.270 nan 0.000 0.468 54 Y N -1.752 118.546 120.300 -0.003 0.000 2.719 54 Y HA 0.298 4.848 4.550 -0.001 0.000 0.251 54 Y C 1.225 177.138 175.900 0.022 0.000 1.159 54 Y CA -0.213 57.892 58.100 0.007 0.000 1.166 54 Y CB -0.344 38.121 38.460 0.008 0.000 1.219 54 Y HN -0.165 nan 8.280 nan 0.000 0.551 55 T N -3.175 111.372 114.554 -0.012 0.000 2.929 55 T HA 0.149 4.498 4.350 -0.001 0.000 0.271 55 T C 1.908 176.702 174.700 0.158 0.000 1.085 55 T CA 1.241 63.364 62.100 0.039 0.000 1.125 55 T CB -0.615 68.214 68.868 -0.065 0.000 0.874 55 T HN 1.049 nan 8.240 nan 0.000 0.494 56 G N 1.190 110.053 108.800 0.106 0.000 2.194 56 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.236 56 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.236 56 G C 0.034 174.905 174.900 -0.048 0.000 0.987 56 G CA -0.093 45.092 45.100 0.141 0.000 0.635 56 G HN 0.655 nan 8.290 nan 0.000 0.520 57 I N 1.581 122.007 120.570 -0.239 0.000 2.352 57 I HA 0.288 4.457 4.170 -0.001 0.000 0.290 57 I C 1.325 177.331 176.117 -0.185 0.000 1.036 57 I CA -0.365 60.716 61.300 -0.365 0.000 1.336 57 I CB 1.331 39.041 38.000 -0.484 0.000 1.407 57 I HN 0.070 nan 8.210 nan 0.000 0.497 58 D N 4.745 125.054 120.400 -0.152 0.000 2.120 58 D HA -0.044 4.596 4.640 -0.001 0.000 0.202 58 D C 0.229 176.457 176.300 -0.120 0.000 0.972 58 D CA 1.577 55.512 54.000 -0.109 0.000 0.837 58 D CB 0.518 41.266 40.800 -0.088 0.000 0.989 58 D HN 0.546 nan 8.370 nan 0.000 0.469 59 Q N -0.034 119.672 119.800 -0.158 0.000 2.347 59 Q HA 0.491 4.831 4.340 -0.001 0.000 0.271 59 Q C -0.807 175.100 176.000 -0.156 0.000 1.064 59 Q CA -0.676 55.038 55.803 -0.149 0.000 0.800 59 Q CB 2.840 31.469 28.738 -0.182 0.000 1.304 59 Q HN -0.027 nan 8.270 nan 0.000 0.438 60 R N 0.876 121.321 120.500 -0.092 0.000 2.338 60 R HA 0.412 4.752 4.340 -0.001 0.000 0.317 60 R C -0.482 175.823 176.300 0.008 0.000 0.968 60 R CA -0.445 55.630 56.100 -0.041 0.000 0.849 60 R CB 1.663 31.956 30.300 -0.011 0.000 1.128 60 R HN 0.473 nan 8.270 nan 0.000 0.448 61 S N 1.281 117.013 115.700 0.053 0.000 2.533 61 S HA 0.119 4.588 4.470 -0.001 0.000 0.282 61 S C -0.118 174.569 174.600 0.146 0.000 1.304 61 S CA 0.203 58.474 58.200 0.117 0.000 1.063 61 S CB 0.904 64.246 63.200 0.238 0.000 0.881 61 S HN 0.512 nan 8.310 nan 0.000 0.493 62 S N 1.268 117.056 115.700 0.147 0.000 2.549 62 S HA 0.396 4.866 4.470 -0.001 0.000 0.280 62 S C 0.816 175.537 174.600 0.202 0.000 1.109 62 S CA -0.874 57.413 58.200 0.146 0.000 0.905 62 S CB 0.610 63.884 63.200 0.124 0.000 1.081 62 S HN 0.607 nan 8.310 nan 0.000 0.477 63 I N 1.936 122.583 120.570 0.127 0.000 2.916 63 I HA 0.432 4.602 4.170 -0.001 0.000 0.267 63 I C 0.840 177.073 176.117 0.193 0.000 1.263 63 I CA 0.701 62.090 61.300 0.148 0.000 1.471 63 I CB -0.639 37.364 38.000 0.004 0.000 1.089 63 I HN 0.502 nan 8.210 nan 0.000 0.468 64 G N 0.585 109.433 108.800 0.080 0.000 2.684 64 G HA2 0.507 4.466 3.960 -0.001 0.000 0.290 64 G HA3 0.507 4.466 3.960 -0.001 0.000 0.290 64 G C -1.422 173.441 174.900 -0.062 0.000 1.425 64 G CA -0.635 44.415 45.100 -0.083 0.000 0.822 64 G HN 0.386 nan 8.290 nan 0.000 0.482 65 N N -0.406 118.213 118.700 -0.136 0.000 2.434 65 N HA 0.484 5.223 4.740 -0.001 0.000 0.266 65 N C -1.973 173.549 175.510 0.020 0.000 1.223 65 N CA -1.838 51.181 53.050 -0.051 0.000 0.972 65 N CB 0.877 39.305 38.487 -0.097 0.000 1.207 65 N HN 0.086 nan 8.380 nan 0.000 0.525 66 P HA -0.067 nan 4.420 nan 0.000 0.223 66 P C -0.292 177.053 177.300 0.076 0.000 1.144 66 P CA 1.163 64.299 63.100 0.059 0.000 0.783 66 P CB 0.117 31.848 31.700 0.050 0.000 0.771 67 D N -3.272 117.157 120.400 0.048 0.000 2.340 67 D HA -0.049 4.591 4.640 -0.001 0.000 0.220 67 D C 0.722 177.046 176.300 0.040 0.000 1.039 67 D CA 0.217 54.241 54.000 0.040 0.000 0.866 67 D CB -0.805 39.996 40.800 0.001 0.000 0.913 67 D HN 0.281 nan 8.370 nan 0.000 0.523 68 H N 1.579 120.629 119.070 -0.033 0.000 3.034 68 H HA -0.024 4.532 4.556 -0.001 0.000 0.324 68 H C -1.523 173.797 175.328 -0.012 0.000 1.015 68 H CA -0.759 55.265 56.048 -0.040 0.000 1.429 68 H CB 1.498 31.230 29.762 -0.049 0.000 1.429 68 H HN -0.136 nan 8.280 nan 0.000 0.585 69 P HA -0.174 nan 4.420 nan 0.000 0.218 69 P C 1.797 179.136 177.300 0.066 0.000 1.148 69 P CA 0.630 63.689 63.100 -0.068 0.000 0.822 69 P CB 0.192 31.796 31.700 -0.159 0.000 0.784 70 L N 0.223 121.593 121.223 0.244 0.000 2.083 70 L HA -0.106 4.233 4.340 -0.001 0.000 0.209 70 L C 1.755 178.672 176.870 0.078 0.000 1.083 70 L CA 1.689 56.634 54.840 0.175 0.000 0.752 70 L CB -0.812 41.375 42.059 0.212 0.000 0.899 70 L HN -0.087 nan 8.230 nan 0.000 0.433 71 V N -3.562 116.406 119.914 0.092 0.000 3.514 71 V HA 0.228 4.347 4.120 -0.001 0.000 0.301 71 V C 0.590 176.639 176.094 -0.075 0.000 1.346 71 V CA 0.639 62.937 62.300 -0.004 0.000 1.156 71 V CB -1.037 30.802 31.823 0.027 0.000 1.029 71 V HN 0.506 nan 8.190 nan 0.000 0.428 72 N N 0.284 118.970 118.700 -0.023 0.000 2.299 72 N HA 0.224 4.964 4.740 -0.001 0.000 0.246 72 N C -0.006 175.509 175.510 0.008 0.000 1.254 72 N CA -0.353 52.718 53.050 0.037 0.000 0.879 72 N CB 0.631 39.213 38.487 0.159 0.000 1.214 72 N HN 0.383 nan 8.380 nan 0.000 0.510 73 K N 0.492 120.840 120.400 -0.086 0.000 2.120 73 K HA 0.215 4.534 4.320 -0.001 0.000 0.245 73 K C -1.620 174.929 176.600 -0.085 0.000 1.024 73 K CA -1.402 54.853 56.287 -0.054 0.000 0.906 73 K CB 0.356 32.825 32.500 -0.051 0.000 1.051 73 K HN -0.170 nan 8.250 nan 0.000 0.491 74 P HA -0.135 nan 4.420 nan 0.000 0.216 74 P C -0.213 177.048 177.300 -0.065 0.000 1.150 74 P CA 1.439 64.536 63.100 -0.005 0.000 0.837 74 P CB 0.231 31.938 31.700 0.011 0.000 0.786 75 N N -1.445 117.210 118.700 -0.076 0.000 2.432 75 N HA 0.325 5.065 4.740 -0.001 0.000 0.292 75 N C -2.713 172.730 175.510 -0.111 0.000 1.193 75 N CA -2.031 50.972 53.050 -0.079 0.000 0.878 75 N CB 0.145 38.609 38.487 -0.039 0.000 1.252 75 N HN -0.160 nan 8.380 nan 0.000 0.520 76 P HA 0.123 nan 4.420 nan 0.000 0.267 76 P C -2.287 174.985 177.300 -0.046 0.000 1.200 76 P CA -0.518 62.538 63.100 -0.073 0.000 0.772 76 P CB -0.253 31.428 31.700 -0.032 0.000 0.855 77 P HA 0.013 nan 4.420 nan 0.000 0.269 77 P C -0.150 177.146 177.300 -0.007 0.000 1.215 77 P CA 0.105 63.200 63.100 -0.008 0.000 0.780 77 P CB 0.176 31.884 31.700 0.015 0.000 0.898 78 T N -2.175 112.375 114.554 -0.007 0.000 2.816 78 T HA 0.079 4.428 4.350 -0.001 0.000 0.282 78 T C 1.267 175.956 174.700 -0.017 0.000 0.993 78 T CA -0.580 61.506 62.100 -0.023 0.000 0.994 78 T CB 0.608 69.461 68.868 -0.025 0.000 1.025 78 T HN 0.165 nan 8.240 nan 0.000 0.529 79 V N 1.009 120.884 119.914 -0.065 0.000 2.469 79 V HA -0.132 3.987 4.120 -0.001 0.000 0.251 79 V C 2.638 178.739 176.094 0.012 0.000 1.064 79 V CA 2.417 64.669 62.300 -0.080 0.000 1.066 79 V CB -0.951 30.714 31.823 -0.264 0.000 0.667 79 V HN 1.015 nan 8.190 nan 0.000 0.461 80 K N -0.249 120.154 120.400 0.006 0.000 2.025 80 K HA -0.209 4.111 4.320 -0.001 0.000 0.207 80 K C 2.024 178.686 176.600 0.103 0.000 1.049 80 K CA 2.075 58.393 56.287 0.053 0.000 0.933 80 K CB -0.228 32.283 32.500 0.019 0.000 0.714 80 K HN 0.658 nan 8.250 nan 0.000 0.438 81 E N 0.744 120.984 120.200 0.067 0.000 2.150 81 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 81 E C 2.117 178.772 176.600 0.092 0.000 0.985 81 E CA 0.858 57.300 56.400 0.070 0.000 0.814 81 E CB -0.033 29.694 29.700 0.045 0.000 0.752 81 E HN 0.296 nan 8.360 nan 0.000 0.466 82 L N 0.639 121.926 121.223 0.107 0.000 2.017 82 L HA -0.221 4.119 4.340 -0.001 0.000 0.208 82 L C 2.795 179.776 176.870 0.185 0.000 1.073 82 L CA 1.333 56.259 54.840 0.143 0.000 0.745 82 L CB -0.670 41.492 42.059 0.172 0.000 0.894 82 L HN 0.333 nan 8.230 nan 0.000 0.432 83 H N 0.831 119.967 119.070 0.110 0.000 2.352 83 H HA -0.189 4.366 4.556 -0.001 0.000 0.299 83 H C 1.966 177.370 175.328 0.127 0.000 1.097 83 H CA 1.987 58.100 56.048 0.108 0.000 1.311 83 H CB 0.222 30.019 29.762 0.057 0.000 1.377 83 H HN 0.446 nan 8.280 nan 0.000 0.504 84 E N -0.132 120.075 120.200 0.012 0.000 2.118 84 E HA -0.126 4.223 4.350 -0.001 0.000 0.195 84 E C 2.416 178.985 176.600 -0.051 0.000 0.992 84 E CA 1.373 57.746 56.400 -0.046 0.000 0.804 84 E CB 0.184 29.907 29.700 0.038 0.000 0.741 84 E HN 0.280 nan 8.360 nan 0.000 0.458 85 V N 0.358 120.280 119.914 0.013 0.000 2.725 85 V HA -0.135 3.984 4.120 -0.001 0.000 0.247 85 V C 1.769 177.862 176.094 -0.003 0.000 1.058 85 V CA 0.901 63.212 62.300 0.017 0.000 1.080 85 V CB -0.373 31.473 31.823 0.039 0.000 0.713 85 V HN 0.210 nan 8.190 nan 0.000 0.465 86 F N 0.495 120.368 119.950 -0.127 0.000 2.091 86 F HA -0.277 4.249 4.527 -0.001 0.000 0.299 86 F C 2.422 178.103 175.800 -0.199 0.000 1.103 86 F CA 2.035 59.940 58.000 -0.158 0.000 1.228 86 F CB -0.068 38.846 39.000 -0.142 0.000 0.984 86 F HN 0.052 nan 8.300 nan 0.000 0.477 87 M N 0.028 119.585 119.600 -0.072 0.000 2.099 87 M HA -0.147 4.333 4.480 -0.001 0.000 0.262 87 M C 2.586 178.808 176.300 -0.131 0.000 1.067 87 M CA 1.916 57.123 55.300 -0.155 0.000 1.124 87 M CB -1.886 30.536 32.600 -0.298 0.000 1.353 87 M HN 0.361 nan 8.290 nan 0.000 0.410 88 S N -0.579 115.062 115.700 -0.097 0.000 2.414 88 S HA -0.088 4.381 4.470 -0.001 0.000 0.227 88 S C 1.172 175.742 174.600 -0.050 0.000 1.022 88 S CA 1.434 59.602 58.200 -0.054 0.000 0.958 88 S CB -0.191 62.998 63.200 -0.018 0.000 0.797 88 S HN 0.395 nan 8.310 nan 0.000 0.493 89 D N 0.391 120.744 120.400 -0.079 0.000 2.454 89 D HA 0.300 4.939 4.640 -0.001 0.000 0.219 89 D C 1.888 178.088 176.300 -0.167 0.000 1.081 89 D CA 0.663 54.618 54.000 -0.075 0.000 0.867 89 D CB -0.054 40.726 40.800 -0.033 0.000 1.054 89 D HN 0.459 nan 8.370 nan 0.000 0.500 90 G N 0.313 108.923 108.800 -0.317 0.000 2.437 90 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.212 90 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.212 90 G C 1.647 176.283 174.900 -0.440 0.000 1.174 90 G CA 0.155 44.926 45.100 -0.549 0.000 0.811 90 G HN 0.130 nan 8.290 nan 0.000 0.537 91 V N 2.200 121.910 119.914 -0.340 0.000 2.332 91 V HA -0.119 4.000 4.120 -0.001 0.000 0.248 91 V C 0.290 176.350 176.094 -0.058 0.000 1.055 91 V CA 2.354 64.581 62.300 -0.123 0.000 1.038 91 V CB -0.933 30.894 31.823 0.006 0.000 0.651 91 V HN 0.259 nan 8.190 nan 0.000 0.450 92 P HA -0.170 nan 4.420 nan 0.000 0.216 92 P C 1.873 179.147 177.300 -0.043 0.000 1.153 92 P CA 1.482 64.562 63.100 -0.033 0.000 0.858 92 P CB -0.100 31.583 31.700 -0.029 0.000 0.789 93 L N -1.092 120.084 121.223 -0.079 0.000 2.012 93 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 93 L C 2.501 179.332 176.870 -0.065 0.000 1.073 93 L CA 1.888 56.679 54.840 -0.083 0.000 0.748 93 L CB -1.417 40.567 42.059 -0.125 0.000 0.891 93 L HN -0.031 nan 8.230 nan 0.000 0.431 94 A N -0.402 122.384 122.820 -0.057 0.000 1.930 94 A HA -0.115 4.205 4.320 -0.001 0.000 0.217 94 A C 2.357 179.960 177.584 0.031 0.000 1.175 94 A CA 1.628 53.675 52.037 0.015 0.000 0.627 94 A CB -0.742 18.323 19.000 0.108 0.000 0.815 94 A HN 0.194 nan 8.150 nan 0.000 0.443 95 V N -0.050 119.878 119.914 0.024 0.000 2.307 95 V HA -0.221 3.898 4.120 -0.001 0.000 0.245 95 V C 2.631 178.728 176.094 0.005 0.000 1.045 95 V CA 2.405 64.719 62.300 0.022 0.000 1.024 95 V CB -0.640 31.198 31.823 0.025 0.000 0.651 95 V HN 0.685 nan 8.190 nan 0.000 0.449 96 E N 0.803 121.000 120.200 -0.005 0.000 2.051 96 E HA -0.165 4.185 4.350 -0.001 0.000 0.192 96 E C 2.163 178.754 176.600 -0.014 0.000 0.991 96 E CA 1.699 58.093 56.400 -0.010 0.000 0.799 96 E CB -0.607 29.084 29.700 -0.014 0.000 0.748 96 E HN 0.476 nan 8.360 nan 0.000 0.449 97 A N -0.051 122.757 122.820 -0.021 0.000 1.917 97 A HA -0.226 4.094 4.320 -0.001 0.000 0.219 97 A C 2.459 180.034 177.584 -0.014 0.000 1.182 97 A CA 2.220 54.243 52.037 -0.023 0.000 0.633 97 A CB -0.858 18.125 19.000 -0.028 0.000 0.819 97 A HN 0.311 nan 8.150 nan 0.000 0.448 98 S N -0.724 114.973 115.700 -0.005 0.000 2.368 98 S HA -0.126 4.344 4.470 -0.001 0.000 0.224 98 S C 2.064 176.654 174.600 -0.017 0.000 1.029 98 S CA 1.198 59.392 58.200 -0.010 0.000 0.988 98 S CB -0.313 62.888 63.200 0.001 0.000 0.838 98 S HN 0.598 nan 8.310 nan 0.000 0.462 99 R N 1.235 121.728 120.500 -0.012 0.000 2.091 99 R HA -0.044 4.295 4.340 -0.001 0.000 0.238 99 R C 2.306 178.597 176.300 -0.015 0.000 1.136 99 R CA 1.208 57.300 56.100 -0.013 0.000 0.959 99 R CB -0.212 30.082 30.300 -0.008 0.000 0.856 99 R HN 0.369 nan 8.270 nan 0.000 0.437 100 K N 0.113 120.504 120.400 -0.015 0.000 2.057 100 K HA -0.038 4.281 4.320 -0.001 0.000 0.206 100 K C 2.195 178.782 176.600 -0.021 0.000 1.050 100 K CA 1.137 57.415 56.287 -0.015 0.000 0.935 100 K CB -0.107 32.386 32.500 -0.011 0.000 0.715 100 K HN 0.122 nan 8.250 nan 0.000 0.439 101 A N 1.635 124.437 122.820 -0.030 0.000 1.865 101 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 101 A C 2.193 179.752 177.584 -0.042 0.000 1.191 101 A CA 1.730 53.740 52.037 -0.045 0.000 0.623 101 A CB -0.544 18.416 19.000 -0.066 0.000 0.826 101 A HN 0.181 nan 8.150 nan 0.000 0.444 102 M N -0.511 119.068 119.600 -0.036 0.000 2.108 102 M HA -0.160 4.320 4.480 -0.001 0.000 0.261 102 M C 2.523 178.807 176.300 -0.026 0.000 1.066 102 M CA 1.475 56.756 55.300 -0.032 0.000 1.107 102 M CB -0.461 32.123 32.600 -0.028 0.000 1.356 102 M HN 0.489 nan 8.290 nan 0.000 0.406 103 A N 0.015 122.823 122.820 -0.021 0.000 1.883 103 A HA -0.233 4.086 4.320 -0.001 0.000 0.217 103 A C 2.012 179.584 177.584 -0.019 0.000 1.186 103 A CA 2.060 54.087 52.037 -0.018 0.000 0.624 103 A CB -0.838 18.154 19.000 -0.014 0.000 0.822 103 A HN 0.566 nan 8.150 nan 0.000 0.444 104 E N -0.345 119.842 120.200 -0.022 0.000 2.110 104 E HA -0.111 4.238 4.350 -0.001 0.000 0.193 104 E C 1.985 178.568 176.600 -0.027 0.000 0.988 104 E CA 0.907 57.293 56.400 -0.023 0.000 0.804 104 E CB -0.216 29.470 29.700 -0.024 0.000 0.745 104 E HN 0.557 nan 8.360 nan 0.000 0.458 105 A N 0.616 123.418 122.820 -0.030 0.000 2.168 105 A HA -0.040 4.279 4.320 -0.001 0.000 0.215 105 A C 0.780 178.349 177.584 -0.025 0.000 1.152 105 A CA 0.757 52.775 52.037 -0.031 0.000 0.716 105 A CB -0.270 18.708 19.000 -0.037 0.000 0.794 105 A HN 0.328 nan 8.150 nan 0.000 0.465 106 R N -1.946 118.541 120.500 -0.022 0.000 3.267 106 R HA -0.138 4.201 4.340 -0.001 0.000 0.254 106 R C -1.157 175.133 176.300 -0.017 0.000 0.993 106 R CA 0.625 56.714 56.100 -0.018 0.000 0.670 106 R CB -2.211 28.079 30.300 -0.017 0.000 1.125 106 R HN 0.515 nan 8.270 nan 0.000 0.434 107 L N 0.155 121.367 121.223 -0.019 0.000 2.346 107 L HA 0.631 4.970 4.340 -0.001 0.000 0.274 107 L C 0.755 177.614 176.870 -0.017 0.000 1.007 107 L CA -1.348 53.481 54.840 -0.018 0.000 0.818 107 L CB 1.821 43.868 42.059 -0.022 0.000 1.284 107 L HN -0.027 nan 8.230 nan 0.000 0.424 108 V N -0.001 119.904 119.914 -0.015 0.000 2.785 108 V HA 0.347 4.466 4.120 -0.001 0.000 0.300 108 V C -1.930 174.153 176.094 -0.018 0.000 1.062 108 V CA -1.379 60.912 62.300 -0.015 0.000 1.029 108 V CB 0.814 32.629 31.823 -0.013 0.000 1.024 108 V HN 0.580 nan 8.190 nan 0.000 0.477 109 P HA -0.207 nan 4.420 nan 0.000 0.218 109 P C 1.553 178.837 177.300 -0.026 0.000 1.150 109 P CA 2.505 65.590 63.100 -0.025 0.000 0.841 109 P CB 0.016 31.701 31.700 -0.026 0.000 0.784 110 A N -0.561 122.246 122.820 -0.022 0.000 2.015 110 A HA -0.223 4.097 4.320 -0.001 0.000 0.219 110 A C 2.039 179.612 177.584 -0.018 0.000 1.163 110 A CA 1.348 53.372 52.037 -0.021 0.000 0.646 110 A CB -1.004 17.986 19.000 -0.016 0.000 0.806 110 A HN 0.283 nan 8.150 nan 0.000 0.448 111 Q N -0.381 119.410 119.800 -0.015 0.000 2.451 111 Q HA 0.113 4.452 4.340 -0.001 0.000 0.206 111 Q C -0.253 175.741 176.000 -0.011 0.000 0.947 111 Q CA -0.037 55.760 55.803 -0.009 0.000 0.937 111 Q CB 0.081 28.814 28.738 -0.008 0.000 1.025 111 Q HN 0.478 nan 8.270 nan 0.000 0.511 112 I N 2.278 122.835 120.570 -0.021 0.000 2.436 112 I HA -0.040 4.129 4.170 -0.001 0.000 0.289 112 I C 1.533 177.629 176.117 -0.035 0.000 1.083 112 I CA 0.582 61.867 61.300 -0.025 0.000 1.372 112 I CB 0.616 38.596 38.000 -0.033 0.000 1.408 112 I HN 0.166 nan 8.210 nan 0.000 0.516 113 T N 2.745 117.285 114.554 -0.024 0.000 3.039 113 T HA 0.105 4.455 4.350 -0.001 0.000 0.250 113 T C 0.539 175.075 174.700 -0.275 0.000 1.052 113 T CA 0.487 62.524 62.100 -0.104 0.000 1.125 113 T CB 0.078 68.912 68.868 -0.058 0.000 0.908 113 T HN 0.579 nan 8.240 nan 0.000 0.473 114 H N -0.235 118.756 119.070 -0.132 0.000 2.946 114 H HA 0.731 5.287 4.556 -0.001 0.000 0.365 114 H C -1.092 174.175 175.328 -0.102 0.000 1.197 114 H CA -1.093 54.881 56.048 -0.123 0.000 1.131 114 H CB 1.749 31.417 29.762 -0.157 0.000 1.849 114 H HN 0.209 nan 8.280 nan 0.000 0.555 115 M N 1.969 121.599 119.600 0.049 0.000 2.204 115 M HA 0.529 5.008 4.480 -0.001 0.000 0.293 115 M C -1.930 174.361 176.300 -0.015 0.000 0.994 115 M CA -0.851 54.444 55.300 -0.008 0.000 0.925 115 M CB 1.257 33.833 32.600 -0.041 0.000 1.577 115 M HN 0.376 nan 8.290 nan 0.000 0.439 116 V N 3.728 123.626 119.914 -0.026 0.000 2.384 116 V HA 0.616 4.736 4.120 -0.001 0.000 0.287 116 V C -0.432 175.659 176.094 -0.005 0.000 1.020 116 V CA -0.397 61.888 62.300 -0.026 0.000 0.850 116 V CB 1.657 33.455 31.823 -0.042 0.000 0.987 116 V HN 0.946 nan 8.190 nan 0.000 0.436 117 S N 2.610 118.301 115.700 -0.015 0.000 2.568 117 S HA 0.808 5.278 4.470 -0.001 0.000 0.293 117 S C -0.338 174.300 174.600 0.063 0.000 1.089 117 S CA -0.607 57.598 58.200 0.010 0.000 0.945 117 S CB 2.229 65.332 63.200 -0.162 0.000 1.077 117 S HN 0.813 nan 8.310 nan 0.000 0.485 118 T N 0.686 115.339 114.554 0.165 0.000 2.916 118 T HA 0.750 5.099 4.350 -0.001 0.000 0.305 118 T C -1.311 173.534 174.700 0.242 0.000 1.119 118 T CA -0.259 61.929 62.100 0.148 0.000 1.008 118 T CB 1.877 70.762 68.868 0.028 0.000 1.129 118 T HN 0.626 nan 8.240 nan 0.000 0.480 119 T N 0.785 115.432 114.554 0.156 0.000 2.830 119 T HA 0.442 4.791 4.350 -0.001 0.000 0.322 119 T C 0.281 174.876 174.700 -0.177 0.000 1.501 119 T CA -0.133 61.978 62.100 0.019 0.000 1.036 119 T CB 0.535 69.439 68.868 0.060 0.000 1.379 119 T HN 0.997 nan 8.240 nan 0.000 0.493 120 C N 1.033 120.132 119.300 -0.334 0.000 3.385 120 C HA 0.469 4.928 4.460 -0.001 0.000 0.288 120 C C 1.439 175.886 174.990 -0.905 0.000 1.429 120 C CA 0.539 59.202 59.018 -0.592 0.000 1.778 120 C CB -1.544 25.899 27.740 -0.495 0.000 2.503 120 C HN 0.923 nan 8.230 nan 0.000 0.646 121 T N -3.296 110.835 114.554 -0.704 0.000 3.252 121 T HA 0.380 4.730 4.350 -0.001 0.000 0.286 121 T C -0.715 173.524 174.700 -0.769 0.000 1.013 121 T CA 0.198 61.877 62.100 -0.702 0.000 0.914 121 T CB 0.056 68.797 68.868 -0.212 0.000 1.131 121 T HN 0.492 nan 8.240 nan 0.000 0.529 122 D N 0.224 120.065 120.400 -0.932 0.000 2.655 122 D HA 0.563 5.203 4.640 -0.001 0.000 0.229 122 D C -1.682 174.536 176.300 -0.137 0.000 1.229 122 D CA -0.299 53.309 54.000 -0.654 0.000 0.807 122 D CB 2.335 42.222 40.800 -1.521 0.000 1.514 122 D HN 0.059 nan 8.370 nan 0.000 0.444 123 S N 1.012 116.821 115.700 0.181 0.000 2.557 123 S HA 0.929 5.398 4.470 -0.001 0.000 0.291 123 S C -1.613 172.983 174.600 -0.007 0.000 1.116 123 S CA -0.006 58.276 58.200 0.138 0.000 0.992 123 S CB 0.915 64.269 63.200 0.256 0.000 1.028 123 S HN 0.839 nan 8.310 nan 0.000 0.484 124 A N 3.904 126.713 122.820 -0.019 0.000 2.597 124 A HA 0.751 5.070 4.320 -0.001 0.000 0.292 124 A C -1.917 175.671 177.584 0.008 0.000 1.057 124 A CA -1.046 50.958 52.037 -0.056 0.000 0.674 124 A CB 1.252 20.282 19.000 0.051 0.000 1.278 124 A HN 0.785 nan 8.150 nan 0.000 0.416 125 N N 1.728 120.428 118.700 -0.001 0.000 2.430 125 N HA 0.646 5.386 4.740 -0.001 0.000 0.290 125 N C -2.820 172.705 175.510 0.025 0.000 1.063 125 N CA -0.986 52.069 53.050 0.008 0.000 0.883 125 N CB 1.472 39.942 38.487 -0.028 0.000 1.465 125 N HN 0.605 nan 8.380 nan 0.000 0.493 126 P HA 0.156 nan 4.420 nan 0.000 0.265 126 P C 0.539 177.938 177.300 0.166 0.000 1.187 126 P CA -0.260 62.825 63.100 -0.025 0.000 0.766 126 P CB 0.310 31.803 31.700 -0.344 0.000 0.820 127 G N 0.779 109.653 108.800 0.124 0.000 2.684 127 G HA2 0.091 4.050 3.960 -0.001 0.000 0.255 127 G HA3 0.091 4.050 3.960 -0.001 0.000 0.255 127 G C 0.579 175.685 174.900 0.343 0.000 1.219 127 G CA -0.312 44.905 45.100 0.195 0.000 0.901 127 G HN 0.675 nan 8.290 nan 0.000 0.548 128 Y N -0.697 119.804 120.300 0.334 0.000 2.352 128 Y HA -0.122 4.427 4.550 -0.001 0.000 0.292 128 Y C 2.156 178.270 175.900 0.356 0.000 1.136 128 Y CA 1.538 59.901 58.100 0.438 0.000 1.227 128 Y CB -0.268 38.485 38.460 0.489 0.000 0.991 128 Y HN 0.443 nan 8.280 nan 0.000 0.545 129 D N -0.186 119.936 120.400 -0.463 0.000 2.182 129 D HA -0.320 4.319 4.640 -0.001 0.000 0.201 129 D C 2.007 178.259 176.300 -0.081 0.000 0.986 129 D CA 1.986 55.772 54.000 -0.356 0.000 0.847 129 D CB -1.167 39.414 40.800 -0.365 0.000 0.942 129 D HN 0.648 nan 8.370 nan 0.000 0.467 130 H N 0.372 119.382 119.070 -0.101 0.000 2.290 130 H HA -0.205 4.351 4.556 -0.000 0.000 0.298 130 H C 1.663 176.884 175.328 -0.178 0.000 1.087 130 H CA 1.687 57.623 56.048 -0.187 0.000 1.291 130 H CB -0.489 29.073 29.762 -0.334 0.000 1.369 130 H HN 0.238 nan 8.280 nan 0.000 0.492 131 Y N 0.053 120.460 120.300 0.178 0.000 2.293 131 Y HA -0.141 4.408 4.550 -0.001 0.000 0.291 131 Y C 3.042 178.964 175.900 0.036 0.000 1.137 131 Y CA 0.928 59.109 58.100 0.136 0.000 1.202 131 Y CB -0.382 38.207 38.460 0.214 0.000 0.990 131 Y HN -0.003 nan 8.280 nan 0.000 0.537 132 V N -0.074 119.949 119.914 0.182 0.000 2.237 132 V HA -0.338 3.781 4.120 -0.001 0.000 0.245 132 V C 2.561 178.653 176.094 -0.004 0.000 1.046 132 V CA 1.818 64.176 62.300 0.097 0.000 1.007 132 V CB -1.376 30.513 31.823 0.111 0.000 0.638 132 V HN 0.458 nan 8.190 nan 0.000 0.445 133 A N -0.480 122.294 122.820 -0.076 0.000 1.883 133 A HA -0.297 4.023 4.320 -0.001 0.000 0.217 133 A C 2.350 179.847 177.584 -0.145 0.000 1.186 133 A CA 2.338 54.302 52.037 -0.121 0.000 0.624 133 A CB -0.588 18.314 19.000 -0.165 0.000 0.822 133 A HN 0.493 nan 8.150 nan 0.000 0.444 134 K N -0.384 119.877 120.400 -0.232 0.000 2.001 134 K HA -0.222 4.098 4.320 -0.001 0.000 0.214 134 K C 1.991 178.550 176.600 -0.069 0.000 1.050 134 K CA 1.977 58.149 56.287 -0.192 0.000 0.934 134 K CB -0.269 32.078 32.500 -0.254 0.000 0.718 134 K HN 0.641 nan 8.250 nan 0.000 0.443 135 E N 0.385 120.575 120.200 -0.017 0.000 2.153 135 E HA -0.167 4.182 4.350 -0.001 0.000 0.194 135 E C 2.044 178.643 176.600 -0.003 0.000 0.988 135 E CA 0.869 57.277 56.400 0.013 0.000 0.811 135 E CB -0.028 29.699 29.700 0.045 0.000 0.746 135 E HN 0.339 nan 8.360 nan 0.000 0.466 136 L N -0.434 120.779 121.223 -0.016 0.000 2.376 136 L HA 0.003 4.342 4.340 -0.001 0.000 0.219 136 L C 1.444 178.297 176.870 -0.028 0.000 1.133 136 L CA 0.599 55.427 54.840 -0.020 0.000 0.816 136 L CB -0.219 41.826 42.059 -0.024 0.000 0.933 136 L HN 0.283 nan 8.230 nan 0.000 0.449 137 G N 0.548 109.324 108.800 -0.040 0.000 2.160 137 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.244 137 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.244 137 G C 0.221 175.093 174.900 -0.047 0.000 1.022 137 G CA -0.173 44.903 45.100 -0.040 0.000 0.741 137 G HN 0.209 nan 8.290 nan 0.000 0.508 138 L N 0.296 121.482 121.223 -0.061 0.000 2.476 138 L HA 0.436 4.775 4.340 -0.001 0.000 0.264 138 L C 1.590 178.420 176.870 -0.067 0.000 1.224 138 L CA 0.099 54.902 54.840 -0.062 0.000 0.821 138 L CB 0.548 42.565 42.059 -0.071 0.000 1.101 138 L HN 0.300 nan 8.230 nan 0.000 0.488 139 S N 0.355 116.020 115.700 -0.059 0.000 2.558 139 S HA -0.061 4.409 4.470 -0.001 0.000 0.288 139 S C 1.024 175.586 174.600 -0.062 0.000 1.318 139 S CA -0.413 57.755 58.200 -0.054 0.000 1.056 139 S CB 0.462 63.633 63.200 -0.049 0.000 0.853 139 S HN 0.764 nan 8.310 nan 0.000 0.505 140 D N 3.841 124.211 120.400 -0.051 0.000 2.350 140 D HA -0.112 4.527 4.640 -0.001 0.000 0.216 140 D C 1.185 177.460 176.300 -0.041 0.000 0.968 140 D CA 0.905 54.879 54.000 -0.045 0.000 0.894 140 D CB -0.084 40.698 40.800 -0.030 0.000 0.909 140 D HN 0.541 nan 8.370 nan 0.000 0.520 141 R N -0.367 120.106 120.500 -0.046 0.000 2.393 141 R HA 0.195 4.534 4.340 -0.001 0.000 0.244 141 R C 0.263 176.522 176.300 -0.069 0.000 0.920 141 R CA -0.706 55.365 56.100 -0.048 0.000 1.076 141 R CB 0.137 30.413 30.300 -0.041 0.000 1.119 141 R HN 0.145 nan 8.270 nan 0.000 0.524 142 L N 2.450 123.626 121.223 -0.077 0.000 2.559 142 L HA -0.065 4.274 4.340 -0.001 0.000 0.282 142 L C -0.056 176.750 176.870 -0.106 0.000 1.232 142 L CA 0.900 55.680 54.840 -0.101 0.000 0.885 142 L CB 0.359 42.365 42.059 -0.089 0.000 1.131 142 L HN 0.058 nan 8.230 nan 0.000 0.498 143 E N 5.787 125.889 120.200 -0.164 0.000 2.130 143 E HA 0.242 4.591 4.350 -0.001 0.000 0.284 143 E C -0.757 175.812 176.600 -0.051 0.000 1.018 143 E CA -0.404 55.922 56.400 -0.123 0.000 0.817 143 E CB 0.808 30.385 29.700 -0.204 0.000 1.078 143 E HN 0.486 nan 8.360 nan 0.000 0.396 144 K N 1.773 122.156 120.400 -0.029 0.000 2.207 144 K HA 0.561 4.880 4.320 -0.001 0.000 0.255 144 K C -0.935 175.658 176.600 -0.011 0.000 0.941 144 K CA -0.848 55.425 56.287 -0.023 0.000 0.825 144 K CB 2.281 34.757 32.500 -0.041 0.000 1.119 144 K HN 0.162 nan 8.250 nan 0.000 0.430 145 V N 3.530 123.435 119.914 -0.015 0.000 2.525 145 V HA 0.243 4.362 4.120 -0.001 0.000 0.299 145 V C -1.349 174.729 176.094 -0.027 0.000 1.034 145 V CA -0.880 61.411 62.300 -0.014 0.000 0.863 145 V CB 1.641 33.459 31.823 -0.009 0.000 0.999 145 V HN 0.518 nan 8.190 nan 0.000 0.423 146 L N 6.987 128.198 121.223 -0.021 0.000 2.295 146 L HA 0.602 4.941 4.340 -0.001 0.000 0.281 146 L C -0.516 176.374 176.870 0.033 0.000 1.018 146 L CA 0.091 54.922 54.840 -0.015 0.000 0.841 146 L CB 0.972 43.012 42.059 -0.032 0.000 1.218 146 L HN 0.525 nan 8.230 nan 0.000 0.424 147 L N 5.126 126.374 121.223 0.043 0.000 2.397 147 L HA 0.383 4.723 4.340 -0.001 0.000 0.271 147 L C 0.154 177.093 176.870 0.115 0.000 1.148 147 L CA -0.185 54.687 54.840 0.054 0.000 0.825 147 L CB 0.606 42.672 42.059 0.012 0.000 1.117 147 L HN 0.610 nan 8.230 nan 0.000 0.456 148 H N 0.933 119.993 119.070 -0.016 0.000 2.855 148 H HA 0.369 4.924 4.556 -0.001 0.000 0.363 148 H C 0.649 175.960 175.328 -0.028 0.000 1.185 148 H CA 0.312 56.346 56.048 -0.024 0.000 1.174 148 H CB 2.403 32.163 29.762 -0.003 0.000 1.857 148 H HN 0.663 nan 8.280 nan 0.000 0.565 149 G N 1.456 110.045 108.800 -0.351 0.000 2.176 149 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.253 149 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.253 149 G C 0.805 175.616 174.900 -0.148 0.000 0.979 149 G CA 0.694 45.691 45.100 -0.171 0.000 0.641 149 G HN 0.666 nan 8.290 nan 0.000 0.530 150 I N -2.165 118.298 120.570 -0.179 0.000 4.327 150 I HA 0.566 4.736 4.170 -0.001 0.000 0.331 150 I C 1.292 177.320 176.117 -0.148 0.000 1.348 150 I CA 0.389 61.612 61.300 -0.129 0.000 1.152 150 I CB 0.355 38.296 38.000 -0.098 0.000 1.151 150 I HN 1.226 nan 8.210 nan 0.000 0.410 154 G N 2.144 110.816 108.800 -0.213 0.000 2.476 154 G HA2 0.086 4.045 3.960 -0.001 0.000 0.218 154 G HA3 0.086 4.045 3.960 -0.001 0.000 0.218 154 G C 1.416 176.190 174.900 -0.210 0.000 1.164 154 G CA 1.190 46.183 45.100 -0.178 0.000 0.768 154 G HN 0.919 nan 8.290 nan 0.000 0.560 155 G N 0.858 109.449 108.800 -0.348 0.000 2.514 155 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.217 155 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.217 155 G C 1.776 176.480 174.900 -0.327 0.000 1.198 155 G CA 0.920 45.662 45.100 -0.597 0.000 0.780 155 G HN 0.417 nan 8.290 nan 0.000 0.565 156 L N 0.443 121.513 121.223 -0.255 0.000 2.179 156 L HA 0.086 4.425 4.340 -0.001 0.000 0.208 156 L C 3.379 180.180 176.870 -0.116 0.000 1.096 156 L CA 0.733 55.492 54.840 -0.135 0.000 0.779 156 L CB -0.402 41.565 42.059 -0.153 0.000 0.922 156 L HN 0.337 nan 8.230 nan 0.000 0.443 157 A N 0.351 123.094 122.820 -0.128 0.000 1.933 157 A HA -0.135 4.185 4.320 -0.001 0.000 0.218 157 A C 2.486 180.008 177.584 -0.103 0.000 1.175 157 A CA 1.692 53.662 52.037 -0.111 0.000 0.628 157 A CB -0.465 18.477 19.000 -0.097 0.000 0.814 157 A HN 0.386 nan 8.150 nan 0.000 0.444 158 A N -0.805 121.975 122.820 -0.067 0.000 1.968 158 A HA 0.125 4.445 4.320 -0.001 0.000 0.217 158 A C 2.067 179.631 177.584 -0.034 0.000 1.169 158 A CA 1.420 53.441 52.037 -0.027 0.000 0.638 158 A CB -0.449 18.575 19.000 0.041 0.000 0.812 158 A HN 0.647 nan 8.150 nan 0.000 0.446 159 L N -0.206 121.019 121.223 0.005 0.000 2.109 159 L HA -0.016 4.323 4.340 -0.001 0.000 0.207 159 L C 2.367 179.078 176.870 -0.265 0.000 1.086 159 L CA 2.177 56.983 54.840 -0.056 0.000 0.760 159 L CB -0.490 41.604 42.059 0.058 0.000 0.910 159 L HN 0.440 nan 8.230 nan 0.000 0.437 160 R N -1.137 119.163 120.500 -0.334 0.000 2.066 160 R HA -0.145 4.194 4.340 -0.001 0.000 0.232 160 R C 2.042 178.014 176.300 -0.547 0.000 1.131 160 R CA 2.030 57.753 56.100 -0.628 0.000 0.955 160 R CB -0.527 29.477 30.300 -0.492 0.000 0.851 160 R HN 0.396 nan 8.270 nan 0.000 0.432 161 T N 0.868 115.235 114.554 -0.311 0.000 2.665 161 T HA -0.189 4.160 4.350 -0.001 0.000 0.268 161 T C 1.860 176.410 174.700 -0.251 0.000 1.035 161 T CA 1.557 63.522 62.100 -0.226 0.000 1.151 161 T CB -0.445 68.340 68.868 -0.137 0.000 0.862 161 T HN 0.489 nan 8.240 nan 0.000 0.438 162 A N 1.513 124.183 122.820 -0.250 0.000 1.908 162 A HA 0.056 4.376 4.320 -0.001 0.000 0.218 162 A C 2.671 180.067 177.584 -0.312 0.000 1.181 162 A CA 2.032 53.910 52.037 -0.266 0.000 0.627 162 A CB -1.174 17.696 19.000 -0.217 0.000 0.818 162 A HN 0.539 nan 8.150 nan 0.000 0.445 163 A N 0.193 122.777 122.820 -0.394 0.000 1.902 163 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 163 A C 1.941 179.354 177.584 -0.284 0.000 1.181 163 A CA 1.836 53.621 52.037 -0.421 0.000 0.623 163 A CB -0.603 17.867 19.000 -0.883 0.000 0.818 163 A HN 0.568 nan 8.150 nan 0.000 0.443 164 N N 0.187 118.714 118.700 -0.289 0.000 2.142 164 N HA -0.060 4.679 4.740 -0.001 0.000 0.186 164 N C 1.701 177.147 175.510 -0.106 0.000 1.023 164 N CA 1.306 54.288 53.050 -0.114 0.000 0.852 164 N CB -0.517 37.919 38.487 -0.085 0.000 0.998 164 N HN 0.512 nan 8.380 nan 0.000 0.424 165 L N 0.290 121.396 121.223 -0.195 0.000 2.012 165 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 165 L C 2.511 179.192 176.870 -0.316 0.000 1.073 165 L CA 0.910 55.583 54.840 -0.279 0.000 0.748 165 L CB -0.677 41.100 42.059 -0.471 0.000 0.891 165 L HN 0.192 nan 8.230 nan 0.000 0.431 166 C N 0.161 119.277 119.300 -0.307 0.000 2.388 166 C HA -0.213 4.246 4.460 -0.001 0.000 0.277 166 C C 2.802 177.770 174.990 -0.036 0.000 1.210 166 C CA 0.899 59.806 59.018 -0.185 0.000 1.743 166 C CB -0.920 26.736 27.740 -0.139 0.000 2.047 166 C HN 0.430 nan 8.230 nan 0.000 0.458 167 L N 0.696 121.912 121.223 -0.011 0.000 2.081 167 L HA -0.109 4.231 4.340 -0.001 0.000 0.212 167 L C 2.778 179.688 176.870 0.067 0.000 1.080 167 L CA 1.704 56.573 54.840 0.048 0.000 0.754 167 L CB -1.192 40.915 42.059 0.080 0.000 0.893 167 L HN 0.564 nan 8.230 nan 0.000 0.433 168 G N -1.260 107.578 108.800 0.064 0.000 2.469 168 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.219 168 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.219 168 G C 1.405 176.419 174.900 0.190 0.000 1.150 168 G CA 0.852 46.022 45.100 0.116 0.000 0.763 168 G HN 0.482 nan 8.290 nan 0.000 0.561 169 H N -0.418 118.672 119.070 0.032 0.000 2.462 169 H HA -0.018 4.537 4.556 -0.001 0.000 0.292 169 H C 2.886 178.232 175.328 0.030 0.000 1.049 169 H CA 1.110 57.188 56.048 0.051 0.000 1.334 169 H CB 0.235 30.051 29.762 0.090 0.000 1.404 169 H HN 0.299 nan 8.280 nan 0.000 0.544 170 T N 0.681 115.315 114.554 0.133 0.000 2.720 170 T HA -0.158 4.191 4.350 -0.001 0.000 0.268 170 T C 2.307 177.035 174.700 0.047 0.000 1.037 170 T CA 1.024 63.168 62.100 0.074 0.000 1.144 170 T CB -0.328 68.577 68.868 0.061 0.000 0.864 170 T HN 0.431 nan 8.240 nan 0.000 0.444 171 A N 1.605 124.453 122.820 0.047 0.000 1.978 171 A HA -0.103 4.216 4.320 -0.001 0.000 0.220 171 A C 2.185 179.774 177.584 0.007 0.000 1.170 171 A CA 1.226 53.280 52.037 0.027 0.000 0.636 171 A CB -0.344 18.675 19.000 0.032 0.000 0.810 171 A HN 0.421 nan 8.150 nan 0.000 0.448 172 R N -1.368 119.128 120.500 -0.008 0.000 2.388 172 R HA 0.235 4.574 4.340 -0.001 0.000 0.247 172 R C 1.034 177.309 176.300 -0.041 0.000 0.931 172 R CA 0.443 56.517 56.100 -0.043 0.000 1.082 172 R CB -0.066 30.175 30.300 -0.099 0.000 1.135 172 R HN 0.638 nan 8.270 nan 0.000 0.525 173 G N 2.224 111.017 108.800 -0.012 0.000 2.198 173 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.260 173 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.260 173 G C -0.256 174.642 174.900 -0.003 0.000 1.025 173 G CA 0.421 45.520 45.100 -0.003 0.000 0.769 173 G HN 0.283 nan 8.290 nan 0.000 0.507 174 K N 1.059 121.458 120.400 -0.002 0.000 2.182 174 K HA 0.508 4.828 4.320 -0.001 0.000 0.262 174 K C -2.331 174.337 176.600 0.115 0.000 0.957 174 K CA -2.173 54.125 56.287 0.018 0.000 0.842 174 K CB 2.227 34.661 32.500 -0.110 0.000 1.099 174 K HN 0.020 nan 8.250 nan 0.000 0.438 175 P HA 0.030 nan 4.420 nan 0.000 0.268 175 P C -1.296 176.109 177.300 0.175 0.000 1.205 175 P CA -0.230 62.933 63.100 0.105 0.000 0.771 175 P CB 0.986 32.725 31.700 0.064 0.000 0.858 176 A N 4.114 126.999 122.820 0.109 0.000 2.374 176 A HA 0.690 5.009 4.320 -0.001 0.000 0.305 176 A C -0.456 177.131 177.584 0.005 0.000 1.053 176 A CA -0.659 51.410 52.037 0.054 0.000 0.726 176 A CB 1.355 20.334 19.000 -0.034 0.000 1.229 176 A HN 0.372 nan 8.150 nan 0.000 0.431 177 R N 2.602 123.108 120.500 0.010 0.000 2.473 177 R HA 0.461 4.801 4.340 -0.001 0.000 0.303 177 R C -1.529 174.761 176.300 -0.016 0.000 1.002 177 R CA -0.275 55.816 56.100 -0.016 0.000 0.884 177 R CB 1.146 31.439 30.300 -0.011 0.000 1.173 177 R HN 0.694 nan 8.270 nan 0.000 0.464 178 I N 4.046 124.581 120.570 -0.059 0.000 2.382 178 I HA 0.193 4.363 4.170 -0.001 0.000 0.285 178 I C 0.005 176.073 176.117 -0.081 0.000 1.007 178 I CA -1.228 60.032 61.300 -0.067 0.000 1.142 178 I CB 1.797 39.706 38.000 -0.151 0.000 1.289 178 I HN 0.248 nan 8.210 nan 0.000 0.453 179 L N 9.219 130.408 121.223 -0.057 0.000 2.456 179 L HA 0.206 4.546 4.340 -0.001 0.000 0.277 179 L C -0.403 176.429 176.870 -0.063 0.000 1.124 179 L CA 0.422 55.223 54.840 -0.064 0.000 0.880 179 L CB 0.485 42.517 42.059 -0.044 0.000 1.192 179 L HN 0.305 nan 8.230 nan 0.000 0.463 180 V N 6.808 126.663 119.914 -0.097 0.000 2.370 180 V HA 0.503 4.623 4.120 -0.001 0.000 0.283 180 V C -0.295 175.819 176.094 0.035 0.000 1.023 180 V CA -0.629 61.640 62.300 -0.052 0.000 0.857 180 V CB 1.272 33.013 31.823 -0.136 0.000 0.985 180 V HN 0.667 nan 8.190 nan 0.000 0.443 181 L N 4.607 125.914 121.223 0.140 0.000 2.408 181 L HA 0.981 5.321 4.340 -0.001 0.000 0.268 181 L C -0.312 176.704 176.870 0.243 0.000 0.986 181 L CA -0.441 54.511 54.840 0.186 0.000 0.820 181 L CB 1.930 44.064 42.059 0.126 0.000 1.303 181 L HN 0.756 nan 8.230 nan 0.000 0.411 182 A N 4.753 127.710 122.820 0.228 0.000 2.374 182 A HA 0.808 5.128 4.320 -0.001 0.000 0.305 182 A C -1.945 175.680 177.584 0.069 0.000 1.053 182 A CA -0.441 51.672 52.037 0.126 0.000 0.726 182 A CB 1.390 20.369 19.000 -0.036 0.000 1.229 182 A HN 0.892 nan 8.150 nan 0.000 0.431 183 L N 1.808 123.053 121.223 0.036 0.000 2.470 183 L HA 0.753 5.092 4.340 -0.001 0.000 0.268 183 L C -1.266 175.534 176.870 -0.116 0.000 0.964 183 L CA -0.004 54.760 54.840 -0.126 0.000 0.839 183 L CB 1.923 43.788 42.059 -0.322 0.000 1.276 183 L HN 0.649 nan 8.230 nan 0.000 0.403 184 E N 4.572 124.707 120.200 -0.109 0.000 2.272 184 E HA 0.576 4.925 4.350 -0.001 0.000 0.269 184 E C -1.411 175.163 176.600 -0.043 0.000 0.877 184 E CA -0.615 55.763 56.400 -0.037 0.000 0.755 184 E CB 2.842 32.515 29.700 -0.045 0.000 1.192 184 E HN 0.388 nan 8.360 nan 0.000 0.422 185 V N 2.364 122.303 119.914 0.041 0.000 2.340 185 V HA 0.113 4.232 4.120 -0.001 0.000 0.277 185 V C 0.826 176.958 176.094 0.063 0.000 1.017 185 V CA -0.288 62.031 62.300 0.031 0.000 0.820 185 V CB 0.939 32.764 31.823 0.003 0.000 1.028 185 V HN 0.777 nan 8.190 nan 0.000 0.436 186 S N 1.271 117.000 115.700 0.047 0.000 2.497 186 S HA -0.085 4.384 4.470 -0.001 0.000 0.218 186 S C 1.949 176.597 174.600 0.080 0.000 1.023 186 S CA 0.659 58.885 58.200 0.043 0.000 0.913 186 S CB 0.068 63.279 63.200 0.018 0.000 0.800 186 S HN 0.780 nan 8.310 nan 0.000 0.505 187 T N 1.560 116.162 114.554 0.079 0.000 2.881 187 T HA -0.153 4.197 4.350 -0.001 0.000 0.270 187 T C 1.961 176.688 174.700 0.045 0.000 1.068 187 T CA 1.854 63.996 62.100 0.071 0.000 1.131 187 T CB -1.536 67.367 68.868 0.058 0.000 0.871 187 T HN 0.613 nan 8.240 nan 0.000 0.479 188 T N -0.289 114.284 114.554 0.032 0.000 3.007 188 T HA 0.126 4.476 4.350 -0.001 0.000 0.270 188 T C 1.601 176.331 174.700 0.050 0.000 1.107 188 T CA 0.550 62.661 62.100 0.020 0.000 1.118 188 T CB -0.639 68.242 68.868 0.022 0.000 0.889 188 T HN 0.402 nan 8.240 nan 0.000 0.506 189 M N 0.910 120.554 119.600 0.073 0.000 2.530 189 M HA 0.291 4.770 4.480 -0.001 0.000 0.231 189 M C 1.959 178.305 176.300 0.075 0.000 1.180 189 M CA -0.133 55.217 55.300 0.083 0.000 0.985 189 M CB 0.214 32.882 32.600 0.112 0.000 1.623 189 M HN 0.174 nan 8.290 nan 0.000 0.475 190 V N 0.765 120.719 119.914 0.067 0.000 2.407 190 V HA -0.220 3.899 4.120 -0.001 0.000 0.248 190 V C 2.306 178.442 176.094 0.070 0.000 1.055 190 V CA 1.931 64.274 62.300 0.072 0.000 1.049 190 V CB -0.292 31.573 31.823 0.070 0.000 0.662 190 V HN 0.477 nan 8.190 nan 0.000 0.455 191 R N -0.205 120.321 120.500 0.044 0.000 2.153 191 R HA -0.006 4.333 4.340 -0.001 0.000 0.218 191 R C 2.585 178.918 176.300 0.055 0.000 1.072 191 R CA 1.359 57.480 56.100 0.036 0.000 0.990 191 R CB -0.965 29.298 30.300 -0.061 0.000 0.889 191 R HN 0.628 nan 8.270 nan 0.000 0.452 192 S N 0.974 116.700 115.700 0.044 0.000 2.355 192 S HA -0.115 4.355 4.470 -0.001 0.000 0.222 192 S C 1.696 176.323 174.600 0.045 0.000 1.031 192 S CA 0.979 59.203 58.200 0.041 0.000 0.993 192 S CB 0.110 63.334 63.200 0.040 0.000 0.859 192 S HN 0.162 nan 8.310 nan 0.000 0.453 193 E N 1.282 121.515 120.200 0.056 0.000 2.051 193 E HA -0.061 4.289 4.350 -0.001 0.000 0.192 193 E C 2.201 178.812 176.600 0.019 0.000 0.991 193 E CA 0.977 57.406 56.400 0.049 0.000 0.799 193 E CB -0.644 29.100 29.700 0.073 0.000 0.748 193 E HN 0.533 nan 8.360 nan 0.000 0.449 194 L N 0.773 122.017 121.223 0.034 0.000 2.042 194 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 194 L C 2.599 179.355 176.870 -0.190 0.000 1.076 194 L CA 1.327 56.155 54.840 -0.019 0.000 0.749 194 L CB -0.342 41.815 42.059 0.163 0.000 0.893 194 L HN 0.170 nan 8.230 nan 0.000 0.432 195 E N -0.500 119.690 120.200 -0.017 0.000 2.150 195 E HA -0.168 4.181 4.350 -0.001 0.000 0.193 195 E C 2.250 178.817 176.600 -0.056 0.000 0.985 195 E CA 1.112 57.506 56.400 -0.009 0.000 0.814 195 E CB 0.199 29.963 29.700 0.106 0.000 0.752 195 E HN 0.358 nan 8.360 nan 0.000 0.466 196 S N 0.350 116.031 115.700 -0.032 0.000 2.387 196 S HA -0.069 4.400 4.470 -0.001 0.000 0.226 196 S C 1.898 176.473 174.600 -0.043 0.000 1.026 196 S CA 0.542 58.729 58.200 -0.022 0.000 0.972 196 S CB -0.057 63.145 63.200 0.003 0.000 0.814 196 S HN 0.243 nan 8.310 nan 0.000 0.477 197 I N 1.463 121.992 120.570 -0.068 0.000 2.142 197 I HA -0.222 3.947 4.170 -0.001 0.000 0.240 197 I C 2.364 178.420 176.117 -0.101 0.000 1.078 197 I CA 1.611 62.866 61.300 -0.074 0.000 1.343 197 I CB -0.406 37.547 38.000 -0.078 0.000 1.046 197 I HN 0.252 nan 8.210 nan 0.000 0.405 198 D N 0.836 121.119 120.400 -0.195 0.000 2.078 198 D HA -0.194 4.445 4.640 -0.001 0.000 0.193 198 D C 2.171 178.429 176.300 -0.070 0.000 0.990 198 D CA 1.805 55.698 54.000 -0.178 0.000 0.827 198 D CB -0.028 40.555 40.800 -0.362 0.000 0.975 198 D HN 0.282 nan 8.370 nan 0.000 0.451 199 A N -0.053 122.737 122.820 -0.050 0.000 1.877 199 A HA -0.065 4.255 4.320 -0.001 0.000 0.216 199 A C 2.341 179.920 177.584 -0.008 0.000 1.186 199 A CA 1.256 53.287 52.037 -0.009 0.000 0.620 199 A CB -0.752 18.251 19.000 0.004 0.000 0.822 199 A HN 0.402 nan 8.150 nan 0.000 0.443 200 L N -1.666 119.548 121.223 -0.014 0.000 2.558 200 L HA 0.029 4.369 4.340 -0.001 0.000 0.225 200 L C 0.364 177.231 176.870 -0.006 0.000 1.128 200 L CA -0.016 54.821 54.840 -0.006 0.000 0.868 200 L CB -0.150 41.907 42.059 -0.002 0.000 1.006 200 L HN 0.320 nan 8.230 nan 0.000 0.454 201 Q N 1.369 121.161 119.800 -0.014 0.000 2.453 201 Q HA -0.201 4.139 4.340 -0.001 0.000 0.294 201 Q C 0.013 176.010 176.000 -0.006 0.000 1.295 201 Q CA 1.120 56.917 55.803 -0.011 0.000 0.853 201 Q CB -1.571 27.165 28.738 -0.004 0.000 1.193 201 Q HN 0.799 nan 8.270 nan 0.000 0.461 202 E N -2.049 118.147 120.200 -0.007 0.000 2.227 202 E HA 0.587 4.937 4.350 -0.001 0.000 0.268 202 E C -0.689 175.910 176.600 -0.000 0.000 0.907 202 E CA -0.873 55.528 56.400 0.001 0.000 0.786 202 E CB 1.051 30.756 29.700 0.008 0.000 1.191 202 E HN -0.016 nan 8.360 nan 0.000 0.411 203 T N 2.819 117.376 114.554 0.005 0.000 2.848 203 T HA 0.206 4.556 4.350 -0.001 0.000 0.283 203 T C -0.236 174.469 174.700 0.009 0.000 0.919 203 T CA -0.438 61.664 62.100 0.003 0.000 1.071 203 T CB -0.335 68.537 68.868 0.007 0.000 0.912 203 T HN 0.289 nan 8.240 nan 0.000 0.570 204 R N 3.052 123.557 120.500 0.008 0.000 2.275 204 R HA 0.386 4.725 4.340 -0.001 0.000 0.326 204 R C 1.259 177.572 176.300 0.021 0.000 0.973 204 R CA -0.505 55.609 56.100 0.024 0.000 0.854 204 R CB 0.734 31.053 30.300 0.031 0.000 1.156 204 R HN 0.734 nan 8.270 nan 0.000 0.487 205 I N -0.582 119.998 120.570 0.018 0.000 3.728 205 I HA 0.203 4.372 4.170 -0.001 0.000 0.307 205 I C 1.595 177.709 176.117 -0.006 0.000 1.276 205 I CA 0.273 61.565 61.300 -0.014 0.000 1.285 205 I CB 0.205 38.179 38.000 -0.043 0.000 1.038 205 I HN 0.606 nan 8.210 nan 0.000 0.445 206 G N 3.830 112.678 108.800 0.081 0.000 2.624 206 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.221 206 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.221 206 G C 1.572 176.583 174.900 0.185 0.000 1.169 206 G CA 1.950 47.182 45.100 0.220 0.000 0.771 206 G HN 0.749 nan 8.290 nan 0.000 0.598 207 I N -1.029 119.611 120.570 0.117 0.000 2.700 207 I HA 0.141 4.310 4.170 -0.001 0.000 0.261 207 I C 2.621 178.753 176.117 0.025 0.000 1.219 207 I CA 1.341 62.694 61.300 0.089 0.000 1.463 207 I CB -0.268 37.770 38.000 0.063 0.000 1.092 207 I HN 0.152 nan 8.210 nan 0.000 0.452 208 A N 1.013 123.813 122.820 -0.034 0.000 2.132 208 A HA 0.287 4.607 4.320 -0.001 0.000 0.213 208 A C 2.207 179.714 177.584 -0.127 0.000 1.154 208 A CA 0.570 52.558 52.037 -0.082 0.000 0.753 208 A CB -0.180 18.753 19.000 -0.112 0.000 0.826 208 A HN 0.494 nan 8.150 nan 0.000 0.469 209 L N -2.314 118.797 121.223 -0.186 0.000 2.433 209 L HA 0.300 4.640 4.340 -0.001 0.000 0.200 209 L C -0.060 176.638 176.870 -0.287 0.000 1.059 209 L CA 0.004 54.641 54.840 -0.338 0.000 0.835 209 L CB -0.175 41.480 42.059 -0.673 0.000 1.076 209 L HN 0.234 nan 8.230 nan 0.000 0.481 210 F N 1.046 121.026 119.950 0.049 0.000 2.384 210 F HA 0.318 4.845 4.527 -0.001 0.000 0.338 210 F C 0.816 176.650 175.800 0.058 0.000 1.103 210 F CA -0.590 57.448 58.000 0.064 0.000 1.157 210 F CB 1.260 40.297 39.000 0.061 0.000 1.167 210 F HN -0.048 nan 8.300 nan 0.000 0.529 211 S N 0.444 116.321 115.700 0.296 0.000 2.732 211 S HA 0.674 5.143 4.470 -0.001 0.000 0.293 211 S C -1.680 173.034 174.600 0.190 0.000 1.159 211 S CA -1.145 57.177 58.200 0.203 0.000 0.847 211 S CB 2.167 65.475 63.200 0.181 0.000 1.169 211 S HN 0.383 nan 8.310 nan 0.000 0.501 212 D N 0.163 120.666 120.400 0.171 0.000 2.256 212 D HA 0.690 5.329 4.640 -0.001 0.000 0.246 212 D C -0.823 175.556 176.300 0.132 0.000 1.042 212 D CA -0.132 53.934 54.000 0.111 0.000 0.841 212 D CB 1.489 42.328 40.800 0.066 0.000 1.223 212 D HN 0.730 nan 8.370 nan 0.000 0.470 213 C N 1.275 120.569 119.300 -0.009 0.000 3.284 213 C HA 0.763 5.223 4.460 -0.001 0.000 0.338 213 C C -1.592 173.280 174.990 -0.197 0.000 1.237 213 C CA -0.317 58.593 59.018 -0.180 0.000 1.276 213 C CB 0.968 28.496 27.740 -0.353 0.000 1.601 213 C HN 0.745 nan 8.230 nan 0.000 0.494 214 A N 2.918 125.598 122.820 -0.233 0.000 2.355 214 A HA 0.953 5.273 4.320 -0.001 0.000 0.317 214 A C -0.364 177.135 177.584 -0.141 0.000 1.094 214 A CA 0.196 52.142 52.037 -0.151 0.000 0.764 214 A CB 1.365 20.295 19.000 -0.116 0.000 1.230 214 A HN 2.003 nan 8.150 nan 0.000 0.448 215 S N 0.412 116.092 115.700 -0.033 0.000 2.564 215 S HA 0.939 5.408 4.470 -0.001 0.000 0.274 215 S C -0.613 174.117 174.600 0.216 0.000 1.124 215 S CA -0.134 58.101 58.200 0.059 0.000 0.869 215 S CB 1.826 65.075 63.200 0.082 0.000 1.105 215 S HN 2.352 nan 8.310 nan 0.000 0.472 216 A N 0.802 123.706 122.820 0.141 0.000 2.574 216 A HA 0.835 5.154 4.320 -0.001 0.000 0.297 216 A C -0.613 176.818 177.584 -0.256 0.000 1.062 216 A CA -0.424 51.613 52.037 -0.001 0.000 0.686 216 A CB 1.255 20.252 19.000 -0.006 0.000 1.285 216 A HN 2.140 nan 8.150 nan 0.000 0.403 217 V N -0.558 119.054 119.914 -0.502 0.000 3.001 217 V HA 0.822 4.941 4.120 -0.001 0.000 0.314 217 V C -0.850 175.078 176.094 -0.277 0.000 1.099 217 V CA -1.053 60.977 62.300 -0.450 0.000 0.989 217 V CB 1.813 33.219 31.823 -0.695 0.000 1.040 217 V HN 0.682 nan 8.190 nan 0.000 0.434 218 I N 3.547 124.005 120.570 -0.186 0.000 2.321 218 I HA 0.476 4.645 4.170 -0.001 0.000 0.291 218 I C -0.430 175.608 176.117 -0.130 0.000 0.998 218 I CA -0.448 60.771 61.300 -0.134 0.000 1.227 218 I CB 1.185 39.133 38.000 -0.086 0.000 1.368 218 I HN 0.637 nan 8.210 nan 0.000 0.466 219 L N 6.516 127.658 121.223 -0.134 0.000 2.287 219 L HA 0.454 4.793 4.340 -0.001 0.000 0.287 219 L C 0.099 176.914 176.870 -0.091 0.000 1.022 219 L CA 0.237 55.007 54.840 -0.118 0.000 0.814 219 L CB 1.443 43.411 42.059 -0.151 0.000 1.217 219 L HN 0.629 nan 8.230 nan 0.000 0.420 220 S N 2.913 118.576 115.700 -0.061 0.000 2.509 220 S HA 0.373 4.842 4.470 -0.001 0.000 0.297 220 S C 0.783 175.366 174.600 -0.027 0.000 1.118 220 S CA -0.561 57.615 58.200 -0.040 0.000 1.074 220 S CB 0.819 64.004 63.200 -0.026 0.000 1.038 220 S HN 0.787 nan 8.310 nan 0.000 0.498 221 N N 3.167 121.857 118.700 -0.016 0.000 2.398 221 N HA 0.155 4.894 4.740 -0.001 0.000 0.188 221 N C 1.245 176.765 175.510 0.017 0.000 1.122 221 N CA 0.952 54.005 53.050 0.004 0.000 0.866 221 N CB -0.345 38.152 38.487 0.017 0.000 0.970 221 N HN 1.090 nan 8.380 nan 0.000 0.462 222 G N 0.253 109.059 108.800 0.010 0.000 2.234 222 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.260 222 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.260 222 G C -0.048 174.860 174.900 0.015 0.000 0.987 222 G CA 0.321 45.427 45.100 0.011 0.000 0.625 222 G HN 0.417 nan 8.290 nan 0.000 0.532 223 I N 1.526 122.110 120.570 0.023 0.000 2.471 223 I HA 0.414 4.583 4.170 -0.001 0.000 0.286 223 I C 1.663 177.794 176.117 0.023 0.000 1.079 223 I CA 1.115 62.431 61.300 0.026 0.000 1.398 223 I CB 0.854 38.876 38.000 0.037 0.000 1.403 223 I HN 0.816 nan 8.210 nan 0.000 0.530 224 G N 4.160 112.969 108.800 0.016 0.000 2.249 224 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.273 224 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.273 224 G C 0.244 175.149 174.900 0.008 0.000 1.036 224 G CA -0.261 44.846 45.100 0.012 0.000 0.824 224 G HN 0.631 nan 8.290 nan 0.000 0.504 225 E N -0.322 119.881 120.200 0.006 0.000 2.371 225 E HA 0.503 4.853 4.350 -0.001 0.000 0.257 225 E C 0.983 177.582 176.600 -0.002 0.000 1.134 225 E CA 0.242 56.642 56.400 0.001 0.000 0.919 225 E CB 0.791 30.490 29.700 -0.002 0.000 1.025 225 E HN 0.729 nan 8.360 nan 0.000 0.438 226 A N 3.721 126.538 122.820 -0.005 0.000 2.489 226 A HA 0.237 4.557 4.320 -0.001 0.000 0.289 226 A C -2.098 175.482 177.584 -0.007 0.000 1.216 226 A CA -0.954 51.078 52.037 -0.007 0.000 0.883 226 A CB -0.686 18.308 19.000 -0.009 0.000 1.110 226 A HN 0.176 nan 8.150 nan 0.000 0.523 227 P HA 0.350 nan 4.420 nan 0.000 0.272 227 P C 0.998 178.293 177.300 -0.008 0.000 1.240 227 P CA 1.004 64.101 63.100 -0.005 0.000 0.791 227 P CB 0.548 32.246 31.700 -0.003 0.000 0.978 228 G N -0.524 108.271 108.800 -0.008 0.000 2.198 228 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.260 228 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.260 228 G C 0.161 175.053 174.900 -0.014 0.000 1.025 228 G CA 0.140 45.234 45.100 -0.010 0.000 0.769 228 G HN 0.687 nan 8.290 nan 0.000 0.507 229 K N 1.252 121.644 120.400 -0.013 0.000 2.430 229 K HA 0.374 4.694 4.320 -0.001 0.000 0.280 229 K C -1.409 175.177 176.600 -0.023 0.000 1.063 229 K CA -1.122 55.155 56.287 -0.016 0.000 1.071 229 K CB 0.150 32.642 32.500 -0.013 0.000 0.899 229 K HN 0.200 nan 8.250 nan 0.000 0.473 230 P HA 0.130 nan 4.420 nan 0.000 0.267 230 P C -1.350 175.926 177.300 -0.040 0.000 1.200 230 P CA -0.107 62.971 63.100 -0.037 0.000 0.772 230 P CB 1.155 32.832 31.700 -0.037 0.000 0.855 231 A N 1.468 124.256 122.820 -0.053 0.000 2.594 231 A HA 0.542 4.861 4.320 -0.001 0.000 0.291 231 A C 0.353 177.880 177.584 -0.095 0.000 1.105 231 A CA -0.500 51.505 52.037 -0.053 0.000 0.694 231 A CB 0.564 19.544 19.000 -0.034 0.000 1.291 231 A HN 0.338 nan 8.150 nan 0.000 0.410 232 I N -0.609 119.896 120.570 -0.109 0.000 2.429 232 I HA 0.134 4.303 4.170 -0.001 0.000 0.247 232 I C -0.175 175.684 176.117 -0.429 0.000 1.099 232 I CA 1.174 62.317 61.300 -0.262 0.000 1.422 232 I CB -0.178 37.691 38.000 -0.219 0.000 1.112 232 I HN 0.568 nan 8.210 nan 0.000 0.430 233 Y N 0.030 120.298 120.300 -0.054 0.000 2.499 233 Y HA 0.428 4.978 4.550 -0.001 0.000 0.347 233 Y C -0.558 175.311 175.900 -0.052 0.000 0.987 233 Y CA -1.485 56.581 58.100 -0.057 0.000 1.044 233 Y CB 1.153 39.589 38.460 -0.041 0.000 1.245 233 Y HN -0.119 nan 8.280 nan 0.000 0.461 234 D N 2.393 122.855 120.400 0.104 0.000 2.198 234 D HA 0.219 4.858 4.640 -0.001 0.000 0.245 234 D C -1.029 175.326 176.300 0.090 0.000 1.079 234 D CA -0.457 53.582 54.000 0.064 0.000 0.854 234 D CB 2.439 43.252 40.800 0.022 0.000 1.148 234 D HN 0.293 nan 8.370 nan 0.000 0.456 235 L N 3.590 124.869 121.223 0.093 0.000 2.261 235 L HA 0.173 4.512 4.340 -0.001 0.000 0.289 235 L C 0.398 177.369 176.870 0.168 0.000 1.059 235 L CA 0.107 55.025 54.840 0.129 0.000 0.816 235 L CB 0.334 42.468 42.059 0.126 0.000 1.191 235 L HN 0.417 nan 8.230 nan 0.000 0.431 236 L N 4.470 125.772 121.223 0.130 0.000 2.354 236 L HA 0.485 4.825 4.340 -0.001 0.000 0.212 236 L C 1.018 177.866 176.870 -0.036 0.000 1.091 236 L CA 0.445 55.325 54.840 0.066 0.000 0.828 236 L CB -0.189 41.913 42.059 0.071 0.000 0.973 236 L HN 0.786 nan 8.230 nan 0.000 0.461 237 G N -0.991 107.805 108.800 -0.005 0.000 2.466 237 G HA2 0.411 4.371 3.960 -0.001 0.000 0.291 237 G HA3 0.411 4.371 3.960 -0.001 0.000 0.291 237 G C -2.598 172.303 174.900 0.001 0.000 1.460 237 G CA -0.491 44.440 45.100 -0.282 0.000 0.791 237 G HN 0.101 nan 8.290 nan 0.000 0.505 238 W N -0.814 120.443 121.300 -0.073 0.000 3.146 238 W HA 0.871 5.531 4.660 -0.001 0.000 0.319 238 W C -1.116 175.360 176.519 -0.071 0.000 1.258 238 W CA -1.086 56.212 57.345 -0.078 0.000 1.189 238 W CB 1.436 30.857 29.460 -0.065 0.000 1.412 238 W HN 0.534 nan 8.180 nan 0.000 0.567 239 E N 2.114 122.414 120.200 0.167 0.000 2.343 239 E HA 0.316 4.666 4.350 -0.001 0.000 0.278 239 E C -1.341 175.319 176.600 0.099 0.000 0.910 239 E CA -0.790 55.660 56.400 0.082 0.000 0.757 239 E CB 2.410 32.110 29.700 -0.000 0.000 1.218 239 E HN 0.573 nan 8.360 nan 0.000 0.435 240 N N 1.511 120.263 118.700 0.087 0.000 2.287 240 N HA 0.504 5.243 4.740 -0.001 0.000 0.289 240 N C -0.727 174.810 175.510 0.045 0.000 1.066 240 N CA -0.649 52.435 53.050 0.058 0.000 0.841 240 N CB 2.550 41.072 38.487 0.059 0.000 1.599 240 N HN 0.295 nan 8.380 nan 0.000 0.476 241 R N 0.625 121.147 120.500 0.036 0.000 2.707 241 R HA 0.499 4.838 4.340 -0.001 0.000 0.272 241 R C -1.269 175.052 176.300 0.035 0.000 1.011 241 R CA -0.887 55.235 56.100 0.036 0.000 0.893 241 R CB 2.489 32.813 30.300 0.041 0.000 1.233 241 R HN 0.374 nan 8.270 nan 0.000 0.464 242 V N 3.530 123.463 119.914 0.033 0.000 2.435 242 V HA 0.396 4.515 4.120 -0.001 0.000 0.290 242 V C 0.374 176.490 176.094 0.035 0.000 1.030 242 V CA -0.678 61.642 62.300 0.032 0.000 0.881 242 V CB 1.651 33.490 31.823 0.027 0.000 0.983 242 V HN 0.555 nan 8.190 nan 0.000 0.445 243 I N 7.481 128.073 120.570 0.037 0.000 2.421 243 I HA 0.203 4.372 4.170 -0.001 0.000 0.291 243 I C -2.068 174.067 176.117 0.030 0.000 1.089 243 I CA -1.484 59.837 61.300 0.035 0.000 1.354 243 I CB 0.769 38.789 38.000 0.034 0.000 1.413 243 I HN 0.403 nan 8.210 nan 0.000 0.513 244 P HA -0.024 nan 4.420 nan 0.000 0.266 244 P C -0.421 176.907 177.300 0.047 0.000 1.193 244 P CA 0.255 63.377 63.100 0.038 0.000 0.770 244 P CB 0.279 32.001 31.700 0.036 0.000 0.836 245 D N 0.092 120.530 120.400 0.064 0.000 2.772 245 D HA -0.140 4.500 4.640 -0.001 0.000 0.233 245 D C 0.038 176.415 176.300 0.127 0.000 1.143 245 D CA 1.608 55.674 54.000 0.111 0.000 0.700 245 D CB -2.071 38.791 40.800 0.104 0.000 1.076 245 D HN 0.477 nan 8.370 nan 0.000 0.430 246 S N -2.434 113.285 115.700 0.031 0.000 2.855 246 S HA 0.287 4.756 4.470 -0.001 0.000 0.249 246 S C 1.217 175.729 174.600 -0.146 0.000 1.033 246 S CA -0.516 57.607 58.200 -0.128 0.000 1.038 246 S CB 0.729 63.879 63.200 -0.082 0.000 0.960 246 S HN 0.038 nan 8.310 nan 0.000 0.548 247 E N 2.484 122.685 120.200 0.002 0.000 2.085 247 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 247 E C 1.843 178.460 176.600 0.030 0.000 0.994 247 E CA 1.787 58.212 56.400 0.042 0.000 0.801 247 E CB -0.400 29.364 29.700 0.106 0.000 0.743 247 E HN 0.885 nan 8.360 nan 0.000 0.453 248 H N -0.478 118.607 119.070 0.025 0.000 2.547 248 H HA 0.113 4.669 4.556 -0.001 0.000 0.266 248 H C 0.391 175.736 175.328 0.027 0.000 0.988 248 H CA 0.791 56.854 56.048 0.025 0.000 1.147 248 H CB 0.171 29.945 29.762 0.021 0.000 1.365 248 H HN 0.128 nan 8.280 nan 0.000 0.589 249 D N 0.637 120.806 120.400 -0.384 0.000 2.333 249 D HA 0.094 4.733 4.640 -0.001 0.000 0.208 249 D C 0.094 176.347 176.300 -0.079 0.000 0.984 249 D CA 0.250 54.105 54.000 -0.242 0.000 0.873 249 D CB 0.797 41.427 40.800 -0.283 0.000 0.935 249 D HN 0.240 nan 8.370 nan 0.000 0.521 250 L N -0.670 120.526 121.223 -0.045 0.000 2.565 250 L HA 0.563 4.902 4.340 -0.001 0.000 0.261 250 L C -0.472 176.408 176.870 0.017 0.000 0.932 250 L CA -0.115 54.728 54.840 0.005 0.000 0.878 250 L CB 1.932 43.998 42.059 0.011 0.000 1.333 250 L HN 0.061 nan 8.230 nan 0.000 0.409 251 G N 1.835 110.654 108.800 0.032 0.000 2.335 251 G HA2 0.595 4.554 3.960 -0.001 0.000 0.291 251 G HA3 0.595 4.554 3.960 -0.001 0.000 0.291 251 G C -0.996 173.923 174.900 0.031 0.000 1.261 251 G CA -0.012 45.104 45.100 0.026 0.000 0.871 251 G HN 1.213 nan 8.290 nan 0.000 0.491 252 G N 0.391 109.226 108.800 0.058 0.000 2.167 252 G HA2 0.476 4.435 3.960 -0.001 0.000 0.300 252 G HA3 0.476 4.435 3.960 -0.001 0.000 0.300 252 G C -1.763 173.270 174.900 0.223 0.000 1.842 252 G CA -0.526 44.642 45.100 0.113 0.000 1.035 252 G HN 0.409 nan 8.290 nan 0.000 0.489 253 D N 1.509 122.015 120.400 0.177 0.000 2.280 253 D HA 0.257 4.897 4.640 -0.001 0.000 0.243 253 D C 0.827 177.156 176.300 0.049 0.000 1.129 253 D CA -0.164 53.908 54.000 0.121 0.000 0.848 253 D CB 2.586 43.420 40.800 0.057 0.000 1.107 253 D HN 0.245 nan 8.370 nan 0.000 0.471 254 V N 2.487 122.382 119.914 -0.032 0.000 2.788 254 V HA -0.015 4.104 4.120 -0.001 0.000 0.307 254 V C -0.025 175.868 176.094 -0.335 0.000 1.069 254 V CA 0.863 62.891 62.300 -0.453 0.000 1.173 254 V CB 1.143 32.763 31.823 -0.338 0.000 0.925 254 V HN 0.626 nan 8.190 nan 0.000 0.492 255 D N 4.454 124.580 120.400 -0.456 0.000 2.655 255 D HA 0.522 5.161 4.640 -0.001 0.000 0.229 255 D C -2.174 173.958 176.300 -0.279 0.000 1.229 255 D CA -0.979 52.861 54.000 -0.267 0.000 0.807 255 D CB 2.318 43.010 40.800 -0.180 0.000 1.514 255 D HN 0.257 nan 8.370 nan 0.000 0.444 256 P HA -0.070 nan 4.420 nan 0.000 0.223 256 P C 0.895 178.113 177.300 -0.138 0.000 1.144 256 P CA 1.049 64.060 63.100 -0.149 0.000 0.783 256 P CB 0.120 31.764 31.700 -0.094 0.000 0.771 257 M N -1.972 117.550 119.600 -0.130 0.000 2.383 257 M HA 0.262 4.742 4.480 -0.001 0.000 0.247 257 M C 1.024 177.274 176.300 -0.083 0.000 1.117 257 M CA 0.353 55.604 55.300 -0.081 0.000 0.995 257 M CB 0.530 33.106 32.600 -0.040 0.000 1.480 257 M HN 0.061 nan 8.290 nan 0.000 0.485 258 G N 0.498 109.162 108.800 -0.226 0.000 2.433 258 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.211 258 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.211 258 G C -1.613 172.987 174.900 -0.500 0.000 1.214 258 G CA -0.802 44.140 45.100 -0.265 0.000 1.271 258 G HN 0.351 nan 8.290 nan 0.000 0.503 259 W N 1.619 122.904 121.300 -0.025 0.000 2.900 259 W HA 0.553 5.213 4.660 -0.001 0.000 0.336 259 W C -0.517 175.986 176.519 -0.027 0.000 1.064 259 W CA -0.893 56.433 57.345 -0.031 0.000 1.237 259 W CB 2.005 31.431 29.460 -0.057 0.000 1.391 259 W HN 0.183 nan 8.180 nan 0.000 0.468 260 K N 2.585 123.062 120.400 0.130 0.000 2.297 260 K HA 0.260 4.580 4.320 -0.001 0.000 0.286 260 K C 0.067 176.728 176.600 0.101 0.000 1.053 260 K CA -0.531 55.811 56.287 0.092 0.000 0.940 260 K CB 1.467 33.997 32.500 0.050 0.000 1.019 260 K HN 0.183 nan 8.250 nan 0.000 0.475 261 V N 3.401 123.371 119.914 0.094 0.000 2.673 261 V HA 0.001 4.120 4.120 -0.001 0.000 0.303 261 V C 0.470 176.615 176.094 0.086 0.000 1.046 261 V CA -0.231 62.124 62.300 0.093 0.000 1.126 261 V CB 0.837 32.745 31.823 0.142 0.000 0.934 261 V HN 0.352 nan 8.190 nan 0.000 0.487 262 V N 6.332 126.293 119.914 0.079 0.000 2.448 262 V HA 0.593 4.712 4.120 -0.001 0.000 0.295 262 V C -0.437 175.698 176.094 0.068 0.000 1.025 262 V CA -0.515 61.826 62.300 0.069 0.000 0.859 262 V CB 1.577 33.437 31.823 0.062 0.000 0.988 262 V HN 0.649 nan 8.190 nan 0.000 0.431 263 L N 5.675 126.934 121.223 0.060 0.000 2.673 263 L HA 0.435 4.774 4.340 -0.001 0.000 0.255 263 L C 0.182 177.072 176.870 0.032 0.000 1.015 263 L CA 0.113 54.984 54.840 0.051 0.000 0.930 263 L CB 1.583 43.688 42.059 0.077 0.000 1.185 263 L HN 0.764 nan 8.230 nan 0.000 0.457 264 S N 3.751 119.460 115.700 0.014 0.000 2.634 264 S HA 0.583 5.052 4.470 -0.001 0.000 0.261 264 S C -1.526 173.077 174.600 0.004 0.000 1.271 264 S CA -0.295 57.914 58.200 0.015 0.000 0.985 264 S CB 0.443 63.648 63.200 0.008 0.000 0.968 264 S HN 0.610 nan 8.310 nan 0.000 0.568 265 P HA 0.027 nan 4.420 nan 0.000 0.229 265 P C 0.804 178.097 177.300 -0.012 0.000 1.160 265 P CA 0.689 63.790 63.100 0.001 0.000 0.777 265 P CB -0.016 31.690 31.700 0.010 0.000 0.814 266 R N -0.334 120.157 120.500 -0.015 0.000 2.280 266 R HA 0.031 4.370 4.340 -0.001 0.000 0.207 266 R C 2.161 178.435 176.300 -0.044 0.000 1.043 266 R CA 0.325 56.410 56.100 -0.025 0.000 1.006 266 R CB -0.841 29.445 30.300 -0.023 0.000 0.885 266 R HN 0.053 nan 8.270 nan 0.000 0.467 267 V N 1.945 121.829 119.914 -0.051 0.000 2.252 267 V HA -0.199 3.920 4.120 -0.001 0.000 0.249 267 V C -0.763 175.272 176.094 -0.099 0.000 1.056 267 V CA 1.973 64.233 62.300 -0.067 0.000 1.022 267 V CB -1.107 30.682 31.823 -0.056 0.000 0.641 267 V HN 0.229 nan 8.190 nan 0.000 0.445 268 P HA -0.102 nan 4.420 nan 0.000 0.216 268 P C 1.882 179.117 177.300 -0.109 0.000 1.150 268 P CA 1.259 64.282 63.100 -0.129 0.000 0.837 268 P CB -0.065 31.577 31.700 -0.097 0.000 0.786 269 V N -0.496 119.375 119.914 -0.072 0.000 2.283 269 V HA -0.202 3.917 4.120 -0.001 0.000 0.243 269 V C 2.492 178.558 176.094 -0.046 0.000 1.039 269 V CA 1.520 63.788 62.300 -0.053 0.000 1.016 269 V CB -1.304 30.499 31.823 -0.034 0.000 0.650 269 V HN 0.029 nan 8.190 nan 0.000 0.449 270 L N 0.318 121.516 121.223 -0.042 0.000 2.013 270 L HA -0.252 4.088 4.340 -0.001 0.000 0.212 270 L C 2.749 179.606 176.870 -0.021 0.000 1.073 270 L CA 1.934 56.759 54.840 -0.025 0.000 0.753 270 L CB -0.937 41.107 42.059 -0.025 0.000 0.890 270 L HN 0.389 nan 8.230 nan 0.000 0.432 271 A N 0.237 123.016 122.820 -0.069 0.000 1.873 271 A HA -0.250 4.069 4.320 -0.001 0.000 0.215 271 A C 2.421 179.976 177.584 -0.049 0.000 1.186 271 A CA 2.008 53.990 52.037 -0.092 0.000 0.616 271 A CB -0.515 18.260 19.000 -0.375 0.000 0.823 271 A HN 0.406 nan 8.150 nan 0.000 0.442 272 K N -0.117 120.227 120.400 -0.093 0.000 2.032 272 K HA -0.094 4.226 4.320 -0.001 0.000 0.209 272 K C 2.015 178.604 176.600 -0.019 0.000 1.048 272 K CA 1.470 57.717 56.287 -0.067 0.000 0.927 272 K CB -0.389 32.057 32.500 -0.090 0.000 0.712 272 K HN 0.311 nan 8.250 nan 0.000 0.441 273 A N 0.988 123.802 122.820 -0.011 0.000 2.067 273 A HA -0.111 4.209 4.320 -0.001 0.000 0.219 273 A C 2.055 179.661 177.584 0.037 0.000 1.158 273 A CA 1.782 53.823 52.037 0.007 0.000 0.661 273 A CB -0.579 18.423 19.000 0.003 0.000 0.801 273 A HN 0.612 nan 8.150 nan 0.000 0.452 274 S N -0.321 115.416 115.700 0.061 0.000 2.489 274 S HA 0.039 4.508 4.470 -0.001 0.000 0.228 274 S C 1.749 176.424 174.600 0.125 0.000 0.995 274 S CA 0.844 59.100 58.200 0.094 0.000 0.934 274 S CB -0.593 62.681 63.200 0.122 0.000 0.771 274 S HN 0.471 nan 8.310 nan 0.000 0.522 275 L N 0.623 121.922 121.223 0.127 0.000 2.017 275 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 275 L C 2.998 179.970 176.870 0.170 0.000 1.073 275 L CA 1.516 56.456 54.840 0.166 0.000 0.745 275 L CB -0.849 41.272 42.059 0.102 0.000 0.894 275 L HN 0.306 nan 8.230 nan 0.000 0.432 276 Q N 0.196 120.056 119.800 0.100 0.000 2.014 276 Q HA -0.181 4.158 4.340 -0.001 0.000 0.207 276 Q C -0.438 175.658 176.000 0.159 0.000 0.993 276 Q CA 2.071 57.938 55.803 0.107 0.000 0.850 276 Q CB -1.710 27.059 28.738 0.052 0.000 0.916 276 Q HN 0.417 nan 8.270 nan 0.000 0.417 277 P HA -0.063 nan 4.420 nan 0.000 0.219 277 P C 0.722 178.084 177.300 0.103 0.000 1.150 277 P CA 1.384 64.543 63.100 0.098 0.000 0.814 277 P CB 0.009 31.750 31.700 0.068 0.000 0.787 278 T N -1.097 113.532 114.554 0.126 0.000 2.812 278 T HA -0.160 4.190 4.350 -0.001 0.000 0.264 278 T C 1.744 176.509 174.700 0.109 0.000 1.042 278 T CA 1.007 63.170 62.100 0.105 0.000 1.140 278 T CB -1.103 67.835 68.868 0.117 0.000 0.870 278 T HN 0.073 nan 8.240 nan 0.000 0.445 279 Y N 2.331 122.667 120.300 0.060 0.000 2.114 279 Y HA -0.041 4.508 4.550 -0.001 0.000 0.284 279 Y C 2.597 178.500 175.900 0.005 0.000 1.143 279 Y CA 1.133 59.258 58.100 0.041 0.000 1.135 279 Y CB -0.709 37.842 38.460 0.152 0.000 0.980 279 Y HN 0.169 nan 8.280 nan 0.000 0.499 280 A N 0.250 123.150 122.820 0.133 0.000 1.948 280 A HA -0.232 4.087 4.320 -0.001 0.000 0.220 280 A C 1.910 179.444 177.584 -0.083 0.000 1.177 280 A CA 2.190 54.239 52.037 0.020 0.000 0.636 280 A CB -0.878 18.185 19.000 0.105 0.000 0.815 280 A HN 0.595 nan 8.150 nan 0.000 0.449 281 D N -0.664 119.703 120.400 -0.055 0.000 2.123 281 D HA -0.090 4.549 4.640 -0.001 0.000 0.200 281 D C 1.876 178.096 176.300 -0.133 0.000 0.976 281 D CA 1.142 55.098 54.000 -0.072 0.000 0.831 281 D CB -0.429 40.350 40.800 -0.036 0.000 0.974 281 D HN 0.333 nan 8.370 nan 0.000 0.469 282 L N 0.486 121.606 121.223 -0.173 0.000 2.012 282 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 282 L C 2.052 178.757 176.870 -0.275 0.000 1.073 282 L CA 1.527 56.230 54.840 -0.229 0.000 0.748 282 L CB -0.641 41.259 42.059 -0.265 0.000 0.891 282 L HN -0.035 nan 8.230 nan 0.000 0.431 283 L N -0.627 120.377 121.223 -0.365 0.000 2.156 283 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 283 L C 2.762 179.521 176.870 -0.184 0.000 1.095 283 L CA 1.608 56.255 54.840 -0.323 0.000 0.770 283 L CB -0.837 40.953 42.059 -0.447 0.000 0.914 283 L HN 0.549 nan 8.230 nan 0.000 0.439 284 S N -1.395 114.214 115.700 -0.152 0.000 2.382 284 S HA -0.202 4.267 4.470 -0.001 0.000 0.228 284 S C 2.140 176.678 174.600 -0.103 0.000 1.027 284 S CA 1.190 59.331 58.200 -0.098 0.000 0.991 284 S CB -0.880 62.276 63.200 -0.073 0.000 0.823 284 S HN 0.523 nan 8.310 nan 0.000 0.469 285 S N 1.734 117.355 115.700 -0.132 0.000 2.474 285 S HA 0.055 4.524 4.470 -0.001 0.000 0.235 285 S C 1.259 175.774 174.600 -0.143 0.000 0.997 285 S CA 0.799 58.913 58.200 -0.144 0.000 0.949 285 S CB -0.541 62.546 63.200 -0.188 0.000 0.766 285 S HN 0.790 nan 8.310 nan 0.000 0.517 286 L N -1.257 119.886 121.223 -0.133 0.000 3.689 286 L HA 0.376 4.715 4.340 -0.001 0.000 0.344 286 L C 1.486 178.306 176.870 -0.083 0.000 1.221 286 L CA -0.101 54.673 54.840 -0.110 0.000 1.171 286 L CB -0.909 41.077 42.059 -0.122 0.000 1.540 286 L HN 0.253 nan 8.230 nan 0.000 0.631 287 Q N 0.367 120.120 119.800 -0.079 0.000 2.515 287 Q HA -0.158 4.181 4.340 -0.001 0.000 0.215 287 Q C 0.159 176.138 176.000 -0.035 0.000 0.983 287 Q CA 1.718 57.491 55.803 -0.050 0.000 0.905 287 Q CB -0.449 28.266 28.738 -0.038 0.000 0.961 287 Q HN 0.650 nan 8.270 nan 0.000 0.503 288 D N 1.091 121.468 120.400 -0.038 0.000 2.249 288 D HA -0.078 4.561 4.640 -0.001 0.000 0.205 288 D C 1.576 177.863 176.300 -0.022 0.000 0.962 288 D CA 0.606 54.590 54.000 -0.026 0.000 0.860 288 D CB 0.058 40.841 40.800 -0.028 0.000 0.955 288 D HN 0.484 nan 8.370 nan 0.000 0.505 289 Q N 0.205 119.988 119.800 -0.029 0.000 2.269 289 Q HA 0.118 4.457 4.340 -0.001 0.000 0.201 289 Q C 0.704 176.689 176.000 -0.024 0.000 0.946 289 Q CA 0.348 56.143 55.803 -0.014 0.000 0.877 289 Q CB 0.572 29.305 28.738 -0.008 0.000 0.963 289 Q HN 0.249 nan 8.270 nan 0.000 0.472 290 L N 1.940 123.117 121.223 -0.075 0.000 2.357 290 L HA 0.363 4.703 4.340 -0.001 0.000 0.273 290 L C -2.138 174.679 176.870 -0.088 0.000 1.080 290 L CA -2.312 52.415 54.840 -0.188 0.000 0.803 290 L CB 0.155 42.075 42.059 -0.232 0.000 1.174 290 L HN -0.114 nan 8.230 nan 0.000 0.443 291 P HA 0.050 nan 4.420 nan 0.000 0.272 291 P C 0.514 177.833 177.300 0.031 0.000 1.240 291 P CA -0.468 62.655 63.100 0.038 0.000 0.791 291 P CB 0.644 32.428 31.700 0.140 0.000 0.978 292 S N -0.643 115.069 115.700 0.019 0.000 2.469 292 S HA -0.138 4.332 4.470 -0.001 0.000 0.238 292 S C 1.594 176.169 174.600 -0.041 0.000 0.998 292 S CA 1.215 59.415 58.200 0.000 0.000 0.957 292 S CB -1.344 61.856 63.200 0.000 0.000 0.764 292 S HN 0.518 nan 8.310 nan 0.000 0.514 293 S N -0.475 115.179 115.700 -0.077 0.000 2.607 293 S HA 0.128 4.597 4.470 -0.001 0.000 0.224 293 S C -0.102 174.157 174.600 -0.570 0.000 0.969 293 S CA -0.335 57.706 58.200 -0.264 0.000 0.927 293 S CB -0.665 62.371 63.200 -0.273 0.000 0.772 293 S HN 0.626 nan 8.310 nan 0.000 0.533 294 Y N 1.359 121.520 120.300 -0.233 0.000 2.748 294 Y HA 0.485 5.035 4.550 -0.001 0.000 0.359 294 Y C 1.016 176.832 175.900 -0.140 0.000 1.030 294 Y CA -0.739 57.073 58.100 -0.480 0.000 1.169 294 Y CB 0.779 38.778 38.460 -0.769 0.000 1.127 294 Y HN 0.186 nan 8.280 nan 0.000 0.644 295 Q N 0.881 120.760 119.800 0.131 0.000 2.586 295 Q HA 0.137 4.477 4.340 -0.001 0.000 0.243 295 Q C 0.126 176.420 176.000 0.491 0.000 0.846 295 Q CA -0.002 55.970 55.803 0.281 0.000 0.959 295 Q CB 0.866 29.689 28.738 0.141 0.000 1.227 295 Q HN 0.432 nan 8.270 nan 0.000 0.611 296 K N 0.442 121.091 120.400 0.415 0.000 2.118 296 K HA 0.360 4.679 4.320 -0.001 0.000 0.254 296 K C -2.465 174.464 176.600 0.548 0.000 0.961 296 K CA -1.881 54.652 56.287 0.410 0.000 0.876 296 K CB 1.512 34.127 32.500 0.192 0.000 1.077 296 K HN -0.321 nan 8.250 nan 0.000 0.440 297 P HA -0.271 nan 4.420 nan 0.000 0.217 297 P C 0.993 178.657 177.300 0.606 0.000 1.151 297 P CA 2.013 65.327 63.100 0.355 0.000 0.849 297 P CB -0.023 31.565 31.700 -0.187 0.000 0.787 298 A N -0.569 122.410 122.820 0.266 0.000 2.121 298 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 298 A C 1.739 179.578 177.584 0.425 0.000 1.154 298 A CA 1.563 53.737 52.037 0.229 0.000 0.679 298 A CB -1.165 17.865 19.000 0.050 0.000 0.795 298 A HN 0.098 nan 8.150 nan 0.000 0.458 299 D N -0.964 119.622 120.400 0.310 0.000 2.310 299 D HA 0.035 4.675 4.640 -0.001 0.000 0.212 299 D C 0.035 176.338 176.300 0.006 0.000 0.965 299 D CA 0.708 54.701 54.000 -0.011 0.000 0.879 299 D CB -0.083 40.541 40.800 -0.292 0.000 0.921 299 D HN 0.486 nan 8.370 nan 0.000 0.510 300 F N 0.610 120.850 119.950 0.483 0.000 2.497 300 F HA 0.286 4.813 4.527 -0.001 0.000 0.331 300 F C 0.897 176.988 175.800 0.484 0.000 1.060 300 F CA -1.170 57.109 58.000 0.465 0.000 0.989 300 F CB 1.037 40.195 39.000 0.263 0.000 1.245 300 F HN -0.394 nan 8.300 nan 0.000 0.486 301 D N 0.311 121.024 120.400 0.522 0.000 2.264 301 D HA 0.147 4.786 4.640 -0.001 0.000 0.249 301 D C -1.286 175.243 176.300 0.381 0.000 1.070 301 D CA 0.008 54.273 54.000 0.442 0.000 0.912 301 D CB 1.030 42.006 40.800 0.294 0.000 1.193 301 D HN 0.320 nan 8.370 nan 0.000 0.427 302 W N 0.921 122.382 121.300 0.268 0.000 2.362 302 W HA 0.506 5.165 4.660 -0.001 0.000 0.316 302 W C -0.175 176.436 176.519 0.153 0.000 1.024 302 W CA -0.818 56.650 57.345 0.204 0.000 1.270 302 W CB 1.251 30.828 29.460 0.195 0.000 1.273 302 W HN 0.330 nan 8.180 nan 0.000 0.424 303 A N 5.320 128.269 122.820 0.215 0.000 2.922 303 A HA 0.470 4.790 4.320 -0.001 0.000 0.298 303 A C -0.298 177.385 177.584 0.165 0.000 1.588 303 A CA -0.468 51.663 52.037 0.157 0.000 1.288 303 A CB -0.384 18.646 19.000 0.051 0.000 1.130 303 A HN 0.610 nan 8.150 nan 0.000 0.557 304 M N 2.699 122.436 119.600 0.229 0.000 2.233 304 M HA 0.175 4.654 4.480 -0.001 0.000 0.355 304 M C 0.358 176.759 176.300 0.169 0.000 1.191 304 M CA -0.167 55.270 55.300 0.228 0.000 1.101 304 M CB 0.431 33.187 32.600 0.259 0.000 1.592 304 M HN 0.646 nan 8.290 nan 0.000 0.461 305 H N 6.665 125.780 119.070 0.074 0.000 3.026 305 H HA 0.173 4.729 4.556 -0.001 0.000 0.289 305 H C -2.285 173.163 175.328 0.199 0.000 1.022 305 H CA -1.292 54.822 56.048 0.110 0.000 1.477 305 H CB 0.676 30.471 29.762 0.055 0.000 1.510 305 H HN 0.447 nan 8.280 nan 0.000 0.535 306 P HA 0.106 nan 4.420 nan 0.000 0.232 306 P C 0.943 177.846 177.300 -0.663 0.000 1.814 306 P CA -0.137 62.656 63.100 -0.511 0.000 1.085 306 P CB 0.228 31.683 31.700 -0.408 0.000 1.901 307 G N 2.061 110.541 108.800 -0.534 0.000 2.422 307 G HA2 0.122 4.081 3.960 -0.001 0.000 0.218 307 G HA3 0.122 4.081 3.960 -0.001 0.000 0.218 307 G C 0.673 175.398 174.900 -0.290 0.000 1.146 307 G CA 0.672 45.595 45.100 -0.294 0.000 0.769 307 G HN 0.645 nan 8.290 nan 0.000 0.547 308 G N -2.821 105.715 108.800 -0.440 0.000 2.600 308 G HA2 0.555 4.514 3.960 -0.001 0.000 0.293 308 G HA3 0.555 4.514 3.960 -0.001 0.000 0.293 308 G C 0.609 175.159 174.900 -0.584 0.000 1.408 308 G CA 0.157 45.017 45.100 -0.400 0.000 0.782 308 G HN 0.531 nan 8.290 nan 0.000 0.482 309 A N -0.730 121.905 122.820 -0.308 0.000 1.933 309 A HA 0.054 4.373 4.320 -0.001 0.000 0.218 309 A C 2.538 180.027 177.584 -0.159 0.000 1.175 309 A CA 3.189 55.112 52.037 -0.190 0.000 0.628 309 A CB -1.087 17.964 19.000 0.085 0.000 0.814 309 A HN 1.615 nan 8.150 nan 0.000 0.444 310 T N -2.351 112.124 114.554 -0.132 0.000 2.995 310 T HA -0.021 4.328 4.350 -0.001 0.000 0.269 310 T C 1.696 176.288 174.700 -0.180 0.000 1.091 310 T CA 1.039 63.069 62.100 -0.117 0.000 1.128 310 T CB -0.340 68.478 68.868 -0.083 0.000 0.891 310 T HN 0.170 nan 8.240 nan 0.000 0.492 311 I N 1.621 122.032 120.570 -0.265 0.000 2.226 311 I HA -0.026 4.143 4.170 -0.001 0.000 0.245 311 I C 2.481 178.436 176.117 -0.269 0.000 1.100 311 I CA 0.990 62.089 61.300 -0.335 0.000 1.374 311 I CB -1.196 36.531 38.000 -0.455 0.000 1.057 311 I HN 0.340 nan 8.210 nan 0.000 0.413 312 L N 0.444 121.490 121.223 -0.296 0.000 2.072 312 L HA -0.163 4.177 4.340 -0.001 0.000 0.205 312 L C 2.710 179.514 176.870 -0.109 0.000 1.079 312 L CA 1.525 56.209 54.840 -0.260 0.000 0.752 312 L CB -0.703 41.027 42.059 -0.548 0.000 0.906 312 L HN 0.277 nan 8.230 nan 0.000 0.436 313 S N -0.102 115.556 115.700 -0.071 0.000 2.402 313 S HA -0.087 4.382 4.470 -0.001 0.000 0.229 313 S C 2.110 176.666 174.600 -0.072 0.000 1.021 313 S CA 0.820 59.005 58.200 -0.024 0.000 0.974 313 S CB -1.055 62.142 63.200 -0.004 0.000 0.800 313 S HN 0.417 nan 8.310 nan 0.000 0.484 314 G N 1.724 110.460 108.800 -0.106 0.000 2.418 314 G HA2 0.024 3.984 3.960 -0.001 0.000 0.217 314 G HA3 0.024 3.984 3.960 -0.001 0.000 0.217 314 G C 1.659 176.480 174.900 -0.133 0.000 1.158 314 G CA 0.867 45.898 45.100 -0.116 0.000 0.771 314 G HN 0.763 nan 8.290 nan 0.000 0.545 315 A N 0.848 123.577 122.820 -0.152 0.000 1.898 315 A HA 0.019 4.339 4.320 -0.001 0.000 0.216 315 A C 2.141 179.562 177.584 -0.272 0.000 1.181 315 A CA 1.913 53.824 52.037 -0.210 0.000 0.620 315 A CB -0.396 18.488 19.000 -0.193 0.000 0.819 315 A HN 0.439 nan 8.150 nan 0.000 0.442 316 E N -0.442 119.641 120.200 -0.194 0.000 2.085 316 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 316 E C 2.312 178.810 176.600 -0.170 0.000 0.994 316 E CA 1.489 57.782 56.400 -0.179 0.000 0.801 316 E CB -0.172 29.482 29.700 -0.077 0.000 0.743 316 E HN 0.625 nan 8.360 nan 0.000 0.453 317 S N 0.131 115.752 115.700 -0.132 0.000 2.335 317 S HA -0.094 4.375 4.470 -0.001 0.000 0.217 317 S C 2.133 176.659 174.600 -0.124 0.000 1.032 317 S CA 1.088 59.222 58.200 -0.109 0.000 0.985 317 S CB -0.213 62.937 63.200 -0.082 0.000 0.896 317 S HN 0.303 nan 8.310 nan 0.000 0.445 318 A N 1.299 124.039 122.820 -0.135 0.000 1.933 318 A HA 0.046 4.365 4.320 -0.001 0.000 0.218 318 A C 2.053 179.537 177.584 -0.166 0.000 1.175 318 A CA 1.611 53.572 52.037 -0.126 0.000 0.628 318 A CB -0.388 18.545 19.000 -0.112 0.000 0.814 318 A HN 0.590 nan 8.150 nan 0.000 0.444 319 M N -1.873 117.576 119.600 -0.252 0.000 2.333 319 M HA 0.221 4.701 4.480 -0.001 0.000 0.257 319 M C 1.172 177.290 176.300 -0.303 0.000 1.078 319 M CA 0.660 55.759 55.300 -0.335 0.000 1.005 319 M CB -0.494 31.761 32.600 -0.576 0.000 1.444 319 M HN 0.765 nan 8.290 nan 0.000 0.496 320 G N 2.436 111.089 108.800 -0.246 0.000 2.289 320 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.280 320 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.280 320 G C -0.329 174.399 174.900 -0.287 0.000 1.089 320 G CA -0.038 44.940 45.100 -0.204 0.000 0.939 320 G HN 0.422 nan 8.290 nan 0.000 0.499 321 L N 0.287 121.298 121.223 -0.354 0.000 2.330 321 L HA 0.763 5.102 4.340 -0.001 0.000 0.271 321 L C 1.146 177.871 176.870 -0.241 0.000 1.013 321 L CA -0.640 53.898 54.840 -0.505 0.000 0.816 321 L CB 1.894 43.611 42.059 -0.571 0.000 1.287 321 L HN 0.368 nan 8.230 nan 0.000 0.435 322 T N -2.407 112.086 114.554 -0.101 0.000 2.899 322 T HA 0.297 4.646 4.350 -0.001 0.000 0.284 322 T C -2.038 172.760 174.700 0.162 0.000 1.004 322 T CA -1.843 60.320 62.100 0.104 0.000 1.043 322 T CB 1.499 70.496 68.868 0.214 0.000 1.013 322 T HN 0.318 nan 8.240 nan 0.000 0.518 323 P HA -0.091 nan 4.420 nan 0.000 0.218 323 P C 1.097 178.481 177.300 0.140 0.000 1.146 323 P CA 0.952 64.106 63.100 0.091 0.000 0.813 323 P CB 0.041 31.614 31.700 -0.210 0.000 0.778 324 E N -1.884 118.386 120.200 0.117 0.000 2.204 324 E HA -0.182 4.167 4.350 -0.001 0.000 0.195 324 E C 1.751 178.436 176.600 0.142 0.000 0.990 324 E CA 1.075 57.535 56.400 0.101 0.000 0.821 324 E CB -1.062 28.660 29.700 0.037 0.000 0.750 324 E HN 0.466 nan 8.360 nan 0.000 0.477 325 H N -0.903 118.255 119.070 0.146 0.000 2.457 325 H HA 0.035 4.590 4.556 -0.001 0.000 0.297 325 H C 0.845 176.342 175.328 0.281 0.000 1.092 325 H CA 1.197 57.374 56.048 0.216 0.000 1.309 325 H CB 0.019 29.886 29.762 0.174 0.000 1.382 325 H HN 0.097 nan 8.280 nan 0.000 0.535 326 M N 0.736 120.561 119.600 0.374 0.000 2.771 326 M HA 0.143 4.623 4.480 -0.001 0.000 0.341 326 M C 1.310 177.827 176.300 0.362 0.000 1.226 326 M CA -0.172 55.339 55.300 0.352 0.000 0.955 326 M CB 0.583 33.361 32.600 0.297 0.000 1.318 326 M HN 0.267 nan 8.290 nan 0.000 0.514 327 R N 0.258 120.932 120.500 0.289 0.000 2.103 327 R HA -0.092 4.248 4.340 -0.001 0.000 0.242 327 R C 1.794 178.242 176.300 0.247 0.000 1.142 327 R CA 1.902 58.149 56.100 0.244 0.000 0.960 327 R CB -0.752 29.640 30.300 0.154 0.000 0.858 327 R HN 0.343 nan 8.270 nan 0.000 0.439 328 A N 0.862 123.814 122.820 0.220 0.000 2.067 328 A HA 0.023 4.342 4.320 -0.001 0.000 0.217 328 A C 2.126 179.832 177.584 0.203 0.000 1.156 328 A CA 1.146 53.303 52.037 0.200 0.000 0.683 328 A CB -0.181 18.928 19.000 0.183 0.000 0.808 328 A HN 0.410 nan 8.150 nan 0.000 0.455 329 S N -1.140 114.679 115.700 0.198 0.000 2.345 329 S HA -0.119 4.350 4.470 -0.001 0.000 0.220 329 S C 1.771 176.437 174.600 0.110 0.000 1.031 329 S CA 1.368 59.640 58.200 0.121 0.000 0.996 329 S CB -0.606 62.626 63.200 0.052 0.000 0.882 329 S HN 0.672 nan 8.310 nan 0.000 0.445 330 Y N 2.133 122.514 120.300 0.136 0.000 2.207 330 Y HA -0.187 4.363 4.550 -0.001 0.000 0.287 330 Y C 2.591 178.593 175.900 0.170 0.000 1.156 330 Y CA 1.497 59.693 58.100 0.160 0.000 1.182 330 Y CB -0.274 38.257 38.460 0.118 0.000 0.979 330 Y HN 0.344 nan 8.280 nan 0.000 0.521 331 D N -0.046 120.537 120.400 0.305 0.000 2.117 331 D HA -0.178 4.461 4.640 -0.001 0.000 0.197 331 D C 1.919 178.352 176.300 0.223 0.000 0.987 331 D CA 1.135 55.268 54.000 0.222 0.000 0.829 331 D CB 0.238 41.149 40.800 0.186 0.000 0.961 331 D HN 0.155 nan 8.370 nan 0.000 0.460 332 R N -0.175 120.474 120.500 0.248 0.000 2.073 332 R HA -0.103 4.236 4.340 -0.001 0.000 0.229 332 R C 2.174 178.631 176.300 0.262 0.000 1.120 332 R CA 0.609 56.881 56.100 0.287 0.000 0.967 332 R CB -1.733 28.728 30.300 0.268 0.000 0.862 332 R HN 0.389 nan 8.270 nan 0.000 0.436 333 Y N 1.203 121.556 120.300 0.088 0.000 2.128 333 Y HA -0.138 4.412 4.550 -0.001 0.000 0.284 333 Y C 2.022 177.941 175.900 0.030 0.000 1.154 333 Y CA 1.434 59.550 58.100 0.026 0.000 1.149 333 Y CB -0.326 38.096 38.460 -0.063 0.000 0.976 333 Y HN -0.074 nan 8.280 nan 0.000 0.505 334 I N 0.038 120.636 120.570 0.046 0.000 2.252 334 I HA -0.323 3.847 4.170 -0.001 0.000 0.245 334 I C 1.422 177.453 176.117 -0.144 0.000 1.102 334 I CA 2.004 63.265 61.300 -0.065 0.000 1.385 334 I CB -0.411 37.632 38.000 0.071 0.000 1.064 334 I HN 0.244 nan 8.210 nan 0.000 0.414 335 N N -1.364 117.261 118.700 -0.124 0.000 2.392 335 N HA -0.003 4.736 4.740 -0.001 0.000 0.177 335 N C 1.251 176.385 175.510 -0.626 0.000 1.066 335 N CA 0.610 53.464 53.050 -0.326 0.000 0.895 335 N CB 0.300 38.600 38.487 -0.312 0.000 0.988 335 N HN 0.353 nan 8.380 nan 0.000 0.457 336 H N -1.727 117.229 119.070 -0.190 0.000 3.876 336 H HA 0.268 4.824 4.556 -0.001 0.000 0.262 336 H C 1.107 176.376 175.328 -0.098 0.000 1.158 336 H CA 0.547 56.454 56.048 -0.234 0.000 1.170 336 H CB 0.965 30.465 29.762 -0.436 0.000 1.528 336 H HN 0.165 nan 8.280 nan 0.000 0.689 337 G N 2.184 110.959 108.800 -0.043 0.000 2.642 337 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.231 337 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.231 337 G C -0.270 174.698 174.900 0.114 0.000 1.338 337 G CA -0.155 44.880 45.100 -0.109 0.000 0.883 337 G HN 0.373 nan 8.290 nan 0.000 0.570 338 N N 0.414 119.192 118.700 0.130 0.000 2.500 338 N HA 0.479 5.219 4.740 -0.001 0.000 0.236 338 N C 0.630 176.357 175.510 0.363 0.000 1.022 338 N CA 0.272 53.465 53.050 0.237 0.000 0.935 338 N CB 0.753 39.306 38.487 0.109 0.000 1.147 338 N HN 0.527 nan 8.380 nan 0.000 0.512 339 S N 1.614 117.514 115.700 0.334 0.000 2.685 339 S HA 0.077 4.547 4.470 -0.001 0.000 0.240 339 S C 0.798 175.532 174.600 0.224 0.000 0.967 339 S CA 0.010 58.372 58.200 0.271 0.000 1.009 339 S CB -0.672 62.652 63.200 0.206 0.000 0.776 339 S HN 0.782 nan 8.310 nan 0.000 0.467 340 S N 2.612 118.533 115.700 0.369 0.000 4.059 340 S HA -0.346 4.124 4.470 -0.001 0.000 0.624 340 S C 1.857 176.452 174.600 -0.009 0.000 2.019 340 S CA 2.141 60.467 58.200 0.210 0.000 4.197 340 S CB -1.812 61.386 63.200 -0.004 0.000 0.215 340 S HN 0.977 nan 8.310 nan 0.000 0.609 341 S N 1.788 117.409 115.700 -0.131 0.000 2.423 341 S HA 0.224 4.693 4.470 -0.001 0.000 0.231 341 S C 2.002 176.450 174.600 -0.254 0.000 1.014 341 S CA 1.612 59.673 58.200 -0.231 0.000 0.965 341 S CB -0.919 62.162 63.200 -0.198 0.000 0.785 341 S HN 1.675 nan 8.310 nan 0.000 0.495 342 A N 1.457 124.189 122.820 -0.147 0.000 2.168 342 A HA 0.092 4.411 4.320 -0.001 0.000 0.215 342 A C 2.220 179.730 177.584 -0.123 0.000 1.152 342 A CA 1.416 53.364 52.037 -0.149 0.000 0.716 342 A CB -1.189 17.742 19.000 -0.114 0.000 0.794 342 A HN 0.618 nan 8.150 nan 0.000 0.465 343 T N -0.022 114.520 114.554 -0.019 0.000 2.777 343 T HA -0.108 4.241 4.350 -0.001 0.000 0.266 343 T C 1.779 176.506 174.700 0.045 0.000 1.040 343 T CA 1.361 63.518 62.100 0.095 0.000 1.141 343 T CB -0.293 68.747 68.868 0.286 0.000 0.868 343 T HN 0.359 nan 8.240 nan 0.000 0.444 344 I N 0.839 121.365 120.570 -0.074 0.000 2.286 344 I HA -0.081 4.089 4.170 -0.001 0.000 0.248 344 I C 1.513 177.628 176.117 -0.004 0.000 1.115 344 I CA 1.175 62.425 61.300 -0.085 0.000 1.392 344 I CB -0.393 37.484 38.000 -0.206 0.000 1.065 344 I HN 0.071 nan 8.210 nan 0.000 0.418 345 F N -0.408 119.528 119.950 -0.024 0.000 2.325 345 F HA -0.056 4.471 4.527 -0.001 0.000 0.299 345 F C 2.871 178.663 175.800 -0.013 0.000 1.090 345 F CA 1.133 59.112 58.000 -0.035 0.000 1.392 345 F CB -1.726 37.245 39.000 -0.048 0.000 1.053 345 F HN 0.082 nan 8.300 nan 0.000 0.521 346 S N -0.020 115.757 115.700 0.129 0.000 2.383 346 S HA -0.102 4.367 4.470 -0.001 0.000 0.227 346 S C 2.259 176.941 174.600 0.137 0.000 1.026 346 S CA 1.127 59.380 58.200 0.089 0.000 0.981 346 S CB -0.406 62.811 63.200 0.029 0.000 0.818 346 S HN 0.092 nan 8.310 nan 0.000 0.472 347 V N 2.064 122.061 119.914 0.138 0.000 2.307 347 V HA -0.113 4.006 4.120 -0.001 0.000 0.245 347 V C 2.374 178.557 176.094 0.148 0.000 1.045 347 V CA 1.675 64.062 62.300 0.146 0.000 1.024 347 V CB -0.656 31.247 31.823 0.133 0.000 0.651 347 V HN 0.464 nan 8.190 nan 0.000 0.449 348 L N 0.280 121.583 121.223 0.133 0.000 2.083 348 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 348 L C 2.475 179.483 176.870 0.230 0.000 1.083 348 L CA 1.931 56.844 54.840 0.123 0.000 0.752 348 L CB -0.707 41.357 42.059 0.008 0.000 0.899 348 L HN 0.435 nan 8.230 nan 0.000 0.433 349 N N 0.477 119.290 118.700 0.187 0.000 2.084 349 N HA -0.234 4.505 4.740 -0.001 0.000 0.190 349 N C 1.937 177.536 175.510 0.149 0.000 1.030 349 N CA 1.285 54.432 53.050 0.162 0.000 0.849 349 N CB -0.046 38.510 38.487 0.115 0.000 1.012 349 N HN -0.019 nan 8.380 nan 0.000 0.423 350 R N 0.299 120.889 120.500 0.149 0.000 2.096 350 R HA -0.015 4.324 4.340 -0.001 0.000 0.235 350 R C 2.010 178.397 176.300 0.145 0.000 1.127 350 R CA 0.872 57.058 56.100 0.143 0.000 0.968 350 R CB -1.107 29.287 30.300 0.156 0.000 0.861 350 R HN 0.387 nan 8.270 nan 0.000 0.440 351 L N 1.133 122.460 121.223 0.173 0.000 2.079 351 L HA -0.146 4.193 4.340 -0.001 0.000 0.210 351 L C 1.619 178.581 176.870 0.153 0.000 1.081 351 L CA 2.028 56.977 54.840 0.181 0.000 0.752 351 L CB -0.424 41.772 42.059 0.227 0.000 0.896 351 L HN 0.266 nan 8.230 nan 0.000 0.433 352 R N -0.254 120.332 120.500 0.143 0.000 2.310 352 R HA 0.179 4.518 4.340 -0.001 0.000 0.202 352 R C 0.258 176.579 176.300 0.036 0.000 0.933 352 R CA 0.077 56.210 56.100 0.055 0.000 1.054 352 R CB -1.110 29.167 30.300 -0.037 0.000 0.985 352 R HN 0.406 nan 8.270 nan 0.000 0.489 353 E N 1.265 121.502 120.200 0.061 0.000 2.349 353 E HA 0.136 4.485 4.350 -0.001 0.000 0.265 353 E C 0.186 176.812 176.600 0.044 0.000 1.064 353 E CA -0.735 55.695 56.400 0.049 0.000 0.886 353 E CB 0.828 30.565 29.700 0.062 0.000 1.036 353 E HN -0.059 nan 8.360 nan 0.000 0.413 354 K N 1.745 122.164 120.400 0.032 0.000 2.063 354 K HA -0.162 4.157 4.320 -0.001 0.000 0.208 354 K C 1.292 177.912 176.600 0.033 0.000 1.048 354 K CA 1.489 57.792 56.287 0.027 0.000 0.928 354 K CB -0.266 32.246 32.500 0.019 0.000 0.713 354 K HN 0.600 nan 8.250 nan 0.000 0.442 355 D N -0.226 120.197 120.400 0.039 0.000 2.363 355 D HA -0.094 4.546 4.640 -0.001 0.000 0.220 355 D C 1.564 177.894 176.300 0.050 0.000 0.994 355 D CA 0.545 54.569 54.000 0.040 0.000 0.890 355 D CB 0.017 40.840 40.800 0.039 0.000 0.906 355 D HN -0.012 nan 8.370 nan 0.000 0.530 356 M N 0.737 120.374 119.600 0.061 0.000 2.248 356 M HA -0.016 4.463 4.480 -0.001 0.000 0.265 356 M C 0.976 177.313 176.300 0.062 0.000 1.079 356 M CA 0.848 56.191 55.300 0.073 0.000 1.150 356 M CB -0.503 32.154 32.600 0.095 0.000 1.366 356 M HN -0.062 nan 8.290 nan 0.000 0.433 357 D N 1.196 121.627 120.400 0.051 0.000 2.158 357 D HA -0.120 4.519 4.640 -0.001 0.000 0.197 357 D C 1.854 178.173 176.300 0.031 0.000 0.995 357 D CA 1.570 55.594 54.000 0.040 0.000 0.846 357 D CB -0.266 40.552 40.800 0.030 0.000 0.941 357 D HN 0.335 nan 8.370 nan 0.000 0.456 358 A N -0.218 122.620 122.820 0.030 0.000 2.121 358 A HA -0.030 4.290 4.320 -0.001 0.000 0.218 358 A C 1.948 179.545 177.584 0.021 0.000 1.154 358 A CA 0.717 52.768 52.037 0.023 0.000 0.679 358 A CB -0.312 18.701 19.000 0.022 0.000 0.795 358 A HN 0.263 nan 8.150 nan 0.000 0.458 359 L N -0.935 120.305 121.223 0.028 0.000 2.808 359 L HA 0.314 4.654 4.340 -0.001 0.000 0.246 359 L C 1.032 177.914 176.870 0.020 0.000 1.153 359 L CA -0.272 54.583 54.840 0.025 0.000 0.956 359 L CB 0.165 42.245 42.059 0.034 0.000 1.270 359 L HN 0.292 nan 8.230 nan 0.000 0.528 360 A N 1.196 124.026 122.820 0.018 0.000 2.561 360 A HA 0.256 4.575 4.320 -0.001 0.000 0.234 360 A C -2.175 175.388 177.584 -0.035 0.000 1.055 360 A CA -0.699 51.336 52.037 -0.003 0.000 0.756 360 A CB -0.588 18.418 19.000 0.011 0.000 0.986 360 A HN -0.024 nan 8.150 nan 0.000 0.505 361 P HA 0.231 nan 4.420 nan 0.000 0.262 361 P C 0.985 178.254 177.300 -0.052 0.000 1.199 361 P CA 1.771 64.808 63.100 -0.105 0.000 0.763 361 P CB 0.474 31.991 31.700 -0.305 0.000 0.790 362 G N 3.389 112.179 108.800 -0.016 0.000 2.166 362 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.260 362 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.260 362 G C 0.878 175.775 174.900 -0.005 0.000 0.986 362 G CA 0.512 45.609 45.100 -0.005 0.000 0.683 362 G HN 1.027 nan 8.290 nan 0.000 0.527 363 G N -1.292 107.505 108.800 -0.005 0.000 2.179 363 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.257 363 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.257 363 G C 0.275 175.178 174.900 0.004 0.000 1.010 363 G CA 1.045 46.146 45.100 0.001 0.000 0.736 363 G HN 0.932 nan 8.290 nan 0.000 0.513 364 K N 0.988 121.388 120.400 -0.001 0.000 2.354 364 K HA 0.471 4.791 4.320 -0.001 0.000 0.257 364 K C 0.445 177.060 176.600 0.024 0.000 1.062 364 K CA -0.481 55.811 56.287 0.008 0.000 0.971 364 K CB 1.193 33.691 32.500 -0.003 0.000 1.305 364 K HN 0.098 nan 8.250 nan 0.000 0.449 365 V N 5.381 125.320 119.914 0.041 0.000 2.479 365 V HA 0.040 4.160 4.120 -0.001 0.000 0.281 365 V C 0.647 176.804 176.094 0.105 0.000 1.031 365 V CA -0.192 62.147 62.300 0.064 0.000 1.038 365 V CB 0.297 32.150 31.823 0.051 0.000 0.981 365 V HN 0.347 nan 8.190 nan 0.000 0.478 366 K N 3.953 124.445 120.400 0.152 0.000 2.174 366 K HA 0.215 4.534 4.320 -0.001 0.000 0.275 366 K C 0.971 177.697 176.600 0.209 0.000 1.015 366 K CA -0.262 56.186 56.287 0.268 0.000 0.933 366 K CB 1.248 33.962 32.500 0.358 0.000 1.025 366 K HN 0.722 nan 8.250 nan 0.000 0.463 367 E N 1.423 121.749 120.200 0.211 0.000 2.347 367 E HA -0.079 4.270 4.350 -0.001 0.000 0.196 367 E C -0.575 175.787 176.600 -0.395 0.000 1.008 367 E CA 0.891 57.220 56.400 -0.118 0.000 0.852 367 E CB 0.281 29.897 29.700 -0.141 0.000 0.783 367 E HN 0.442 nan 8.360 nan 0.000 0.505 368 Y N -1.038 119.139 120.300 -0.206 0.000 2.462 368 Y HA 0.477 5.026 4.550 -0.001 0.000 0.346 368 Y C -0.778 175.253 175.900 0.219 0.000 0.976 368 Y CA -1.168 56.891 58.100 -0.069 0.000 1.044 368 Y CB 2.169 40.482 38.460 -0.246 0.000 1.230 368 Y HN -0.351 nan 8.280 nan 0.000 0.455 369 V N 3.848 123.940 119.914 0.298 0.000 2.525 369 V HA 0.362 4.482 4.120 -0.001 0.000 0.299 369 V C -0.844 175.218 176.094 -0.054 0.000 1.034 369 V CA -0.956 61.435 62.300 0.152 0.000 0.863 369 V CB 1.794 33.689 31.823 0.119 0.000 0.999 369 V HN 0.522 nan 8.190 nan 0.000 0.423 370 V N 4.224 123.956 119.914 -0.303 0.000 2.385 370 V HA 0.584 4.704 4.120 -0.001 0.000 0.269 370 V C 0.949 176.812 176.094 -0.385 0.000 1.043 370 V CA -0.141 61.811 62.300 -0.580 0.000 0.906 370 V CB 1.344 32.345 31.823 -1.370 0.000 0.995 370 V HN 0.948 nan 8.190 nan 0.000 0.467 371 G N 3.007 111.665 108.800 -0.237 0.000 2.377 371 G HA2 0.484 4.443 3.960 -0.001 0.000 0.299 371 G HA3 0.484 4.443 3.960 -0.001 0.000 0.299 371 G C -0.771 174.053 174.900 -0.127 0.000 1.150 371 G CA -0.256 44.764 45.100 -0.134 0.000 0.847 371 G HN 0.834 nan 8.290 nan 0.000 0.501 372 C N 1.627 120.877 119.300 -0.082 0.000 2.701 372 C HA 0.888 5.348 4.460 -0.001 0.000 0.336 372 C C -0.071 174.674 174.990 -0.409 0.000 1.123 372 C CA 0.330 59.255 59.018 -0.155 0.000 1.326 372 C CB 0.252 28.051 27.740 0.097 0.000 1.833 372 C HN 1.296 nan 8.230 nan 0.000 0.473 373 A N 3.882 126.275 122.820 -0.711 0.000 2.609 373 A HA 0.993 5.312 4.320 -0.001 0.000 0.291 373 A C -1.665 175.276 177.584 -1.072 0.000 1.096 373 A CA -0.485 50.959 52.037 -0.988 0.000 0.684 373 A CB 1.055 19.786 19.000 -0.448 0.000 1.282 373 A HN 0.966 nan 8.150 nan 0.000 0.412 374 F N -0.524 119.438 119.950 0.021 0.000 2.591 374 F HA 0.810 5.336 4.527 -0.001 0.000 0.309 374 F C 0.532 176.323 175.800 -0.015 0.000 1.098 374 F CA -0.245 57.767 58.000 0.020 0.000 0.937 374 F CB 2.284 41.320 39.000 0.060 0.000 1.250 374 F HN 1.029 nan 8.300 nan 0.000 0.447 375 G N 0.547 109.432 108.800 0.141 0.000 2.663 375 G HA2 0.657 4.616 3.960 -0.001 0.000 0.299 375 G HA3 0.657 4.616 3.960 -0.001 0.000 0.299 375 G C -3.444 171.480 174.900 0.041 0.000 1.372 375 G CA -1.980 43.160 45.100 0.066 0.000 0.781 375 G HN 0.262 nan 8.290 nan 0.000 0.491 376 P HA 0.260 nan 4.420 nan 0.000 0.261 376 P C 0.799 178.098 177.300 -0.001 0.000 1.165 376 P CA 1.938 65.037 63.100 -0.002 0.000 0.759 376 P CB 1.024 32.707 31.700 -0.027 0.000 0.772 377 G N 2.935 111.738 108.800 0.006 0.000 4.142 377 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.131 377 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.131 377 G C -0.307 174.599 174.900 0.011 0.000 2.153 377 G CA -0.460 44.647 45.100 0.011 0.000 0.993 377 G HN 0.438 nan 8.290 nan 0.000 0.294 378 I N 3.014 123.588 120.570 0.008 0.000 2.471 378 I HA 0.250 4.420 4.170 -0.001 0.000 0.286 378 I C -0.474 175.666 176.117 0.039 0.000 1.079 378 I CA -0.465 60.850 61.300 0.026 0.000 1.398 378 I CB 0.808 38.827 38.000 0.030 0.000 1.403 378 I HN 0.119 nan 8.210 nan 0.000 0.530 379 N N 5.616 124.339 118.700 0.038 0.000 2.479 379 N HA 0.478 5.217 4.740 -0.001 0.000 0.285 379 N C -0.873 174.665 175.510 0.047 0.000 1.075 379 N CA -0.332 52.736 53.050 0.029 0.000 0.967 379 N CB 1.912 40.398 38.487 -0.001 0.000 1.137 379 N HN 0.202 nan 8.380 nan 0.000 0.472 380 V N 1.584 121.519 119.914 0.036 0.000 2.588 380 V HA 0.434 4.554 4.120 -0.001 0.000 0.304 380 V C -0.401 175.678 176.094 -0.026 0.000 1.042 380 V CA -0.758 61.558 62.300 0.027 0.000 0.877 380 V CB 2.014 33.892 31.823 0.093 0.000 0.996 380 V HN 0.510 nan 8.190 nan 0.000 0.425 381 E N 4.690 124.827 120.200 -0.104 0.000 2.248 381 E HA 0.663 5.013 4.350 -0.001 0.000 0.267 381 E C -1.116 175.423 176.600 -0.101 0.000 0.877 381 E CA -0.550 55.797 56.400 -0.089 0.000 0.759 381 E CB 2.911 32.539 29.700 -0.120 0.000 1.182 381 E HN 0.549 nan 8.360 nan 0.000 0.418 382 M N 1.219 120.796 119.600 -0.038 0.000 2.619 382 M HA 0.559 5.038 4.480 -0.001 0.000 0.297 382 M C -0.578 175.715 176.300 -0.011 0.000 1.229 382 M CA -0.879 54.391 55.300 -0.051 0.000 0.860 382 M CB 2.292 34.869 32.600 -0.039 0.000 1.741 382 M HN 0.783 nan 8.290 nan 0.000 0.462 383 C N 0.730 119.998 119.300 -0.054 0.000 3.239 383 C HA 0.891 5.350 4.460 -0.001 0.000 0.317 383 C C -1.019 173.920 174.990 -0.085 0.000 1.310 383 C CA -0.984 58.037 59.018 0.005 0.000 1.371 383 C CB 1.654 29.421 27.740 0.046 0.000 1.714 383 C HN 0.966 nan 8.230 nan 0.000 0.473 384 M N 2.579 122.156 119.600 -0.039 0.000 2.311 384 M HA 0.830 5.309 4.480 -0.001 0.000 0.325 384 M C -1.453 174.868 176.300 0.035 0.000 1.061 384 M CA -0.946 54.324 55.300 -0.049 0.000 0.957 384 M CB 1.006 33.566 32.600 -0.067 0.000 1.646 384 M HN 0.802 nan 8.290 nan 0.000 0.434 385 L N 3.645 124.898 121.223 0.050 0.000 2.381 385 L HA 0.613 4.953 4.340 -0.001 0.000 0.268 385 L C -0.702 176.223 176.870 0.091 0.000 0.997 385 L CA -0.888 53.994 54.840 0.070 0.000 0.818 385 L CB 2.222 44.266 42.059 -0.027 0.000 1.310 385 L HN 0.629 nan 8.230 nan 0.000 0.416 386 K N 2.857 123.266 120.400 0.016 0.000 2.293 386 K HA 0.368 4.688 4.320 -0.001 0.000 0.267 386 K C -0.525 176.001 176.600 -0.124 0.000 1.010 386 K CA -0.678 55.449 56.287 -0.266 0.000 0.875 386 K CB 1.206 33.497 32.500 -0.349 0.000 1.106 386 K HN 0.498 nan 8.250 nan 0.000 0.450 387 R N 4.293 124.700 120.500 -0.155 0.000 2.347 387 R HA 0.134 4.473 4.340 -0.001 0.000 0.304 387 R C 0.028 176.187 176.300 -0.235 0.000 1.072 387 R CA -0.399 55.594 56.100 -0.179 0.000 0.980 387 R CB 0.558 30.797 30.300 -0.102 0.000 0.986 387 R HN 0.603 nan 8.270 nan 0.000 0.448 388 R N 0.000 120.351 120.500 -0.248 0.000 2.786 388 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 388 R CA 0.000 55.992 56.100 -0.180 0.000 0.921 388 R CB 0.000 30.207 30.300 -0.155 0.000 0.687 388 R HN 0.000 nan 8.270 nan 0.000 0.535