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 2jan_1_D DATA FIRST_RESID 5 DATA SEQUENCE ILDELSWRGL IAQSTDLDTL AAEAQRGPMT VYAGFDPTAP SLHAGHLVPL DATA SEQUENCE LTLRRFQRAG HRPIVLAGGA TGMIGDXXXX XXXXXXXXXT VAEWTERIRG DATA SEQUENCE QLERFVDFDD SPMGAIVENN LEWTGSLSAI EFLRDIGKHF SVNVMLARDT DATA SEQUENCE IRRRLAGEGI SYTEFSYLLL QANDYVELHR RHGCTLQIGG ADQWGNIIAG DATA SEQUENCE VRLVRQKLGA TVHALTVPLV TAADGTKFGK STGGGSLWLD PQMTSPYAWY DATA SEQUENCE QYFVNTADAD VIRYLRWFTF LSADELAELE QATAQRPQQR AAQRRLASEL DATA SEQUENCE TVLVHGEAAT AAVEHASRAL FGRGELARLD EATLAAALRE TTVAELKPGS DATA SEQUENCE PDGIVDLLVA SGLSASKGAA RRTIHEGGVS VNNIRVDNEE WVPQSSDFLH DATA SEQUENCE GRWLVLRRGK RSIAGVERIG 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 5 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 176.022 176.117 -0.159 0.000 1.063 5 I CA 0.000 61.244 61.300 -0.093 0.000 1.566 5 I CB 0.000 37.963 38.000 -0.062 0.000 1.214 6 L N 2.313 123.487 121.223 -0.081 0.000 2.265 6 L HA -0.038 4.302 4.340 0.000 0.000 0.215 6 L C 1.787 178.633 176.870 -0.040 0.000 1.117 6 L CA 1.927 56.730 54.840 -0.062 0.000 0.782 6 L CB -1.145 40.907 42.059 -0.012 0.000 0.914 6 L HN 0.381 nan 8.230 nan 0.000 0.441 7 D N -0.851 119.550 120.400 0.001 0.000 2.137 7 D HA -0.122 4.518 4.640 0.000 0.000 0.202 7 D C 2.023 178.389 176.300 0.110 0.000 0.970 7 D CA 0.652 54.693 54.000 0.069 0.000 0.837 7 D CB 0.156 41.013 40.800 0.096 0.000 0.981 7 D HN 0.279 nan 8.370 nan 0.000 0.475 8 E N 1.061 121.285 120.200 0.041 0.000 2.021 8 E HA -0.137 4.213 4.350 0.000 0.000 0.200 8 E C 2.529 178.847 176.600 -0.471 0.000 1.015 8 E CA 0.505 56.834 56.400 -0.118 0.000 0.824 8 E CB -0.550 29.084 29.700 -0.110 0.000 0.762 8 E HN 0.313 nan 8.360 nan 0.000 0.454 9 L N 0.842 121.856 121.223 -0.348 0.000 2.189 9 L HA -0.199 4.141 4.340 0.000 0.000 0.214 9 L C 2.702 179.389 176.870 -0.305 0.000 1.097 9 L CA 1.053 55.674 54.840 -0.365 0.000 0.764 9 L CB -0.426 41.470 42.059 -0.272 0.000 0.900 9 L HN 0.099 nan 8.230 nan 0.000 0.436 10 S N 0.040 115.626 115.700 -0.189 0.000 2.362 10 S HA -0.143 4.327 4.470 0.000 0.000 0.221 10 S C 1.866 176.456 174.600 -0.015 0.000 1.032 10 S CA 0.863 59.016 58.200 -0.077 0.000 0.973 10 S CB -0.267 62.932 63.200 -0.002 0.000 0.849 10 S HN 0.622 nan 8.310 nan 0.000 0.465 11 W N 1.728 123.014 121.300 -0.024 0.000 2.402 11 W HA 0.028 4.689 4.660 0.001 0.000 0.286 11 W C 1.547 178.074 176.519 0.012 0.000 1.221 11 W CA 0.345 57.686 57.345 -0.007 0.000 1.257 11 W CB -0.742 28.711 29.460 -0.011 0.000 1.120 11 W HN 0.259 nan 8.180 nan 0.000 0.551 12 R N 0.974 121.068 120.500 -0.677 0.000 2.280 12 R HA 0.056 4.397 4.340 0.000 0.000 0.207 12 R C 1.805 178.059 176.300 -0.078 0.000 1.043 12 R CA 0.988 56.736 56.100 -0.586 0.000 1.006 12 R CB -0.711 29.073 30.300 -0.859 0.000 0.885 12 R HN 0.376 nan 8.270 nan 0.000 0.467 13 G N 0.895 109.654 108.800 -0.068 0.000 2.160 13 G HA2 -0.251 3.710 3.960 0.000 0.000 0.244 13 G HA3 -0.251 3.710 3.960 0.000 0.000 0.244 13 G C 0.445 175.249 174.900 -0.160 0.000 1.022 13 G CA -0.094 45.033 45.100 0.044 0.000 0.741 13 G HN 0.298 nan 8.290 nan 0.000 0.508 14 L N -0.392 120.616 121.223 -0.358 0.000 2.567 14 L HA 0.370 4.710 4.340 0.000 0.000 0.225 14 L C 1.362 178.015 176.870 -0.362 0.000 1.119 14 L CA 0.183 54.688 54.840 -0.558 0.000 0.871 14 L CB 0.193 41.924 42.059 -0.547 0.000 1.036 14 L HN 0.317 nan 8.230 nan 0.000 0.459 15 I N 0.320 120.753 120.570 -0.228 0.000 2.256 15 I HA 0.109 4.279 4.170 0.000 0.000 0.294 15 I C 1.341 177.374 176.117 -0.140 0.000 1.127 15 I CA -0.332 60.878 61.300 -0.150 0.000 1.247 15 I CB 1.139 39.083 38.000 -0.093 0.000 1.460 15 I HN 0.039 nan 8.210 nan 0.000 0.511 16 A N 5.289 128.013 122.820 -0.159 0.000 1.841 16 A HA -0.098 4.222 4.320 0.000 0.000 0.214 16 A C 1.052 178.533 177.584 -0.171 0.000 1.195 16 A CA 1.407 53.354 52.037 -0.150 0.000 0.611 16 A CB 0.008 18.920 19.000 -0.147 0.000 0.835 16 A HN 0.707 nan 8.150 nan 0.000 0.443 17 Q N -2.237 117.456 119.800 -0.178 0.000 2.501 17 Q HA 0.556 4.896 4.340 0.000 0.000 0.288 17 Q C -1.593 174.345 176.000 -0.103 0.000 1.051 17 Q CA -0.175 55.444 55.803 -0.307 0.000 0.788 17 Q CB 2.115 30.417 28.738 -0.726 0.000 1.469 17 Q HN 0.603 nan 8.270 nan 0.000 0.416 18 S N -0.888 114.770 115.700 -0.071 0.000 2.578 18 S HA 0.457 4.928 4.470 0.000 0.000 0.272 18 S C -0.372 174.391 174.600 0.272 0.000 1.145 18 S CA -0.501 57.815 58.200 0.193 0.000 0.835 18 S CB 0.807 64.065 63.200 0.096 0.000 1.104 18 S HN 0.799 nan 8.310 nan 0.000 0.458 19 T N -1.271 113.478 114.554 0.324 0.000 2.715 19 T HA 0.389 4.739 4.350 0.000 0.000 0.320 19 T C 0.042 174.848 174.700 0.176 0.000 1.046 19 T CA -0.083 62.168 62.100 0.252 0.000 0.983 19 T CB -0.437 68.560 68.868 0.215 0.000 1.183 19 T HN 0.784 nan 8.240 nan 0.000 0.522 20 D N 0.216 120.706 120.400 0.151 0.000 2.581 20 D HA -0.027 4.614 4.640 0.000 0.000 0.238 20 D C 1.011 177.367 176.300 0.094 0.000 1.145 20 D CA -0.145 53.919 54.000 0.107 0.000 0.866 20 D CB 0.182 41.038 40.800 0.094 0.000 1.151 20 D HN 0.395 nan 8.370 nan 0.000 0.500 21 L N 3.963 125.218 121.223 0.054 0.000 2.109 21 L HA -0.088 4.252 4.340 0.000 0.000 0.207 21 L C 1.366 178.245 176.870 0.016 0.000 1.086 21 L CA 1.612 56.469 54.840 0.028 0.000 0.760 21 L CB -0.662 41.408 42.059 0.018 0.000 0.910 21 L HN 0.596 nan 8.230 nan 0.000 0.437 22 D N -1.039 119.376 120.400 0.025 0.000 2.123 22 D HA -0.126 4.515 4.640 0.000 0.000 0.200 22 D C 1.914 178.229 176.300 0.024 0.000 0.976 22 D CA 1.635 55.648 54.000 0.022 0.000 0.831 22 D CB 0.084 40.899 40.800 0.024 0.000 0.974 22 D HN 0.288 nan 8.370 nan 0.000 0.469 23 T N 1.663 116.246 114.554 0.049 0.000 2.833 23 T HA -0.140 4.210 4.350 0.000 0.000 0.269 23 T C 1.888 176.598 174.700 0.017 0.000 1.054 23 T CA 0.482 62.632 62.100 0.083 0.000 1.135 23 T CB -0.174 68.791 68.868 0.163 0.000 0.869 23 T HN 0.024 nan 8.240 nan 0.000 0.466 24 L N 1.607 122.773 121.223 -0.095 0.000 2.044 24 L HA 0.260 4.600 4.340 0.000 0.000 0.205 24 L C 2.645 179.405 176.870 -0.183 0.000 1.075 24 L CA 1.814 56.430 54.840 -0.372 0.000 0.747 24 L CB -1.361 40.536 42.059 -0.270 0.000 0.903 24 L HN 0.197 nan 8.230 nan 0.000 0.435 25 A N -0.090 122.689 122.820 -0.069 0.000 1.917 25 A HA -0.190 4.130 4.320 0.000 0.000 0.219 25 A C 2.487 180.069 177.584 -0.002 0.000 1.182 25 A CA 2.251 54.278 52.037 -0.017 0.000 0.633 25 A CB -1.337 17.666 19.000 0.004 0.000 0.819 25 A HN 0.620 nan 8.150 nan 0.000 0.448 26 A N -0.178 122.641 122.820 -0.002 0.000 1.892 26 A HA -0.258 4.063 4.320 0.000 0.000 0.218 26 A C 1.993 179.590 177.584 0.021 0.000 1.188 26 A CA 2.373 54.421 52.037 0.017 0.000 0.631 26 A CB -0.597 18.420 19.000 0.027 0.000 0.822 26 A HN 0.658 nan 8.150 nan 0.000 0.447 27 E N -0.071 120.123 120.200 -0.009 0.000 2.150 27 E HA -0.003 4.347 4.350 0.000 0.000 0.193 27 E C 1.930 178.547 176.600 0.029 0.000 0.985 27 E CA 1.410 57.815 56.400 0.007 0.000 0.814 27 E CB -0.375 29.300 29.700 -0.041 0.000 0.752 27 E HN 0.499 nan 8.360 nan 0.000 0.466 28 A N 1.306 124.138 122.820 0.020 0.000 1.845 28 A HA -0.277 4.044 4.320 0.000 0.000 0.215 28 A C 2.262 179.964 177.584 0.198 0.000 1.195 28 A CA 2.011 54.115 52.037 0.113 0.000 0.616 28 A CB -0.984 18.077 19.000 0.103 0.000 0.832 28 A HN 0.551 nan 8.150 nan 0.000 0.443 29 Q N -0.711 119.160 119.800 0.118 0.000 2.124 29 Q HA -0.206 4.134 4.340 0.000 0.000 0.202 29 Q C 2.152 178.201 176.000 0.081 0.000 0.977 29 Q CA 1.480 57.339 55.803 0.093 0.000 0.850 29 Q CB -0.491 28.284 28.738 0.061 0.000 0.901 29 Q HN 0.616 nan 8.270 nan 0.000 0.429 30 R N 1.112 121.657 120.500 0.075 0.000 2.153 30 R HA -0.127 4.214 4.340 0.000 0.000 0.252 30 R C 0.500 176.844 176.300 0.073 0.000 1.158 30 R CA 1.478 57.617 56.100 0.066 0.000 0.975 30 R CB -0.098 30.240 30.300 0.064 0.000 0.871 30 R HN 0.502 nan 8.270 nan 0.000 0.450 31 G N -1.769 107.094 108.800 0.104 0.000 2.316 31 G HA2 0.083 4.043 3.960 0.000 0.000 0.296 31 G HA3 0.083 4.043 3.960 0.000 0.000 0.296 31 G C -2.968 172.037 174.900 0.175 0.000 1.399 31 G CA -1.116 44.047 45.100 0.105 0.000 0.833 31 G HN -0.105 nan 8.290 nan 0.000 0.565 32 P HA 0.135 nan 4.420 nan 0.000 0.259 32 P C 0.480 177.947 177.300 0.278 0.000 1.211 32 P CA 0.429 63.677 63.100 0.247 0.000 0.810 32 P CB 0.059 31.821 31.700 0.103 0.000 0.815 33 M N 2.049 121.880 119.600 0.386 0.000 2.207 33 M HA 0.123 4.603 4.480 0.000 0.000 0.311 33 M C 0.712 177.084 176.300 0.121 0.000 1.127 33 M CA 0.781 56.160 55.300 0.131 0.000 1.181 33 M CB 0.095 32.636 32.600 -0.100 0.000 1.409 33 M HN 0.194 nan 8.290 nan 0.000 0.461 34 T N 1.890 116.488 114.554 0.075 0.000 2.821 34 T HA 0.492 4.842 4.350 0.000 0.000 0.307 34 T C -0.369 174.343 174.700 0.021 0.000 1.034 34 T CA -0.638 61.500 62.100 0.064 0.000 0.953 34 T CB 0.481 69.403 68.868 0.089 0.000 0.968 34 T HN 0.346 nan 8.240 nan 0.000 0.462 35 V N 4.671 124.553 119.914 -0.053 0.000 2.617 35 V HA 0.654 4.775 4.120 0.000 0.000 0.298 35 V C -0.519 175.562 176.094 -0.021 0.000 1.048 35 V CA -0.926 61.272 62.300 -0.170 0.000 0.964 35 V CB 0.942 32.487 31.823 -0.463 0.000 1.004 35 V HN 0.871 nan 8.190 nan 0.000 0.466 36 Y N 1.842 122.034 120.300 -0.181 0.000 2.609 36 Y HA 0.927 5.477 4.550 0.000 0.000 0.342 36 Y C -0.567 175.265 175.900 -0.114 0.000 1.058 36 Y CA -1.207 56.825 58.100 -0.114 0.000 1.055 36 Y CB 1.904 40.304 38.460 -0.100 0.000 1.292 36 Y HN 0.810 nan 8.280 nan 0.000 0.476 37 A N 1.498 124.391 122.820 0.121 0.000 2.488 37 A HA 0.735 5.056 4.320 0.000 0.000 0.298 37 A C -0.506 177.185 177.584 0.178 0.000 1.044 37 A CA -0.409 51.610 52.037 -0.030 0.000 0.693 37 A CB 0.995 20.005 19.000 0.016 0.000 1.272 37 A HN 1.518 nan 8.150 nan 0.000 0.402 38 G N -0.033 108.728 108.800 -0.065 0.000 2.448 38 G HA2 0.634 4.594 3.960 0.000 0.000 0.285 38 G HA3 0.634 4.594 3.960 0.000 0.000 0.285 38 G C -1.065 173.638 174.900 -0.328 0.000 1.176 38 G CA -0.284 44.830 45.100 0.024 0.000 0.852 38 G HN 0.457 nan 8.290 nan 0.000 0.530 39 F N -0.607 119.364 119.950 0.033 0.000 2.596 39 F HA 0.259 4.786 4.527 0.001 0.000 0.311 39 F C -0.450 175.255 175.800 -0.160 0.000 1.116 39 F CA -1.041 56.948 58.000 -0.019 0.000 0.957 39 F CB 2.563 41.580 39.000 0.028 0.000 1.250 39 F HN 0.496 nan 8.300 nan 0.000 0.444 40 D N 4.722 125.150 120.400 0.048 0.000 2.325 40 D HA 0.256 4.896 4.640 0.000 0.000 0.251 40 D C -1.768 174.337 176.300 -0.324 0.000 1.196 40 D CA -1.766 52.181 54.000 -0.087 0.000 0.866 40 D CB 1.266 42.087 40.800 0.035 0.000 1.101 40 D HN 0.165 nan 8.370 nan 0.000 0.476 41 P HA -0.010 nan 4.420 nan 0.000 0.255 41 P C 0.978 177.932 177.300 -0.578 0.000 1.248 41 P CA 0.292 62.526 63.100 -1.443 0.000 0.807 41 P CB 0.113 30.897 31.700 -1.527 0.000 1.150 42 T N -2.230 112.187 114.554 -0.227 0.000 2.867 42 T HA 0.046 4.396 4.350 0.000 0.000 0.268 42 T C 1.180 175.926 174.700 0.076 0.000 1.057 42 T CA 0.511 62.583 62.100 -0.048 0.000 1.136 42 T CB -0.970 67.886 68.868 -0.020 0.000 0.874 42 T HN 0.137 nan 8.240 nan 0.000 0.466 43 A N 3.483 126.399 122.820 0.160 0.000 2.498 43 A HA 0.402 4.722 4.320 0.000 0.000 0.239 43 A C -0.499 177.274 177.584 0.316 0.000 1.068 43 A CA -1.054 51.162 52.037 0.298 0.000 0.766 43 A CB 0.226 19.524 19.000 0.496 0.000 1.003 43 A HN 0.364 nan 8.150 nan 0.000 0.497 44 P HA 0.041 nan 4.420 nan 0.000 0.236 44 P C 0.287 177.621 177.300 0.056 0.000 1.177 44 P CA 0.974 64.106 63.100 0.054 0.000 0.773 44 P CB 0.391 32.009 31.700 -0.137 0.000 0.878 45 S N -1.268 114.547 115.700 0.193 0.000 2.588 45 S HA 0.455 4.926 4.470 0.000 0.000 0.269 45 S C -1.320 173.603 174.600 0.538 0.000 1.157 45 S CA -0.803 57.560 58.200 0.272 0.000 0.824 45 S CB 0.333 63.680 63.200 0.245 0.000 1.126 45 S HN -0.121 nan 8.310 nan 0.000 0.464 46 L N 3.531 124.973 121.223 0.365 0.000 2.397 46 L HA 0.484 4.824 4.340 0.000 0.000 0.271 46 L C 0.309 177.526 176.870 0.578 0.000 1.148 46 L CA -0.432 54.661 54.840 0.422 0.000 0.825 46 L CB 0.508 42.640 42.059 0.121 0.000 1.117 46 L HN 0.891 nan 8.230 nan 0.000 0.456 47 H N 0.634 120.053 119.070 0.583 0.000 2.824 47 H HA 0.583 5.139 4.556 0.000 0.000 0.345 47 H C 0.747 176.178 175.328 0.171 0.000 1.252 47 H CA -0.413 55.745 56.048 0.183 0.000 1.246 47 H CB 0.863 30.395 29.762 -0.384 0.000 1.908 47 H HN 0.488 nan 8.280 nan 0.000 0.601 48 A N 0.145 123.113 122.820 0.247 0.000 2.042 48 A HA -0.174 4.146 4.320 0.000 0.000 0.222 48 A C 2.276 179.976 177.584 0.194 0.000 1.167 48 A CA 2.104 54.229 52.037 0.147 0.000 0.649 48 A CB -1.792 16.971 19.000 -0.395 0.000 0.809 48 A HN 0.924 nan 8.150 nan 0.000 0.457 49 G N -1.999 106.852 108.800 0.085 0.000 2.534 49 G HA2 -0.104 3.856 3.960 0.000 0.000 0.217 49 G HA3 -0.104 3.856 3.960 0.000 0.000 0.217 49 G C 1.132 175.923 174.900 -0.182 0.000 1.128 49 G CA 0.996 46.080 45.100 -0.028 0.000 0.784 49 G HN 0.811 nan 8.290 nan 0.000 0.542 50 H N -0.611 118.420 119.070 -0.066 0.000 2.539 50 H HA 0.306 4.862 4.556 0.000 0.000 0.267 50 H C 2.285 177.673 175.328 0.099 0.000 0.982 50 H CA -0.351 55.715 56.048 0.031 0.000 1.146 50 H CB 0.324 30.135 29.762 0.082 0.000 1.382 50 H HN 0.206 nan 8.280 nan 0.000 0.577 51 L N -0.257 121.135 121.223 0.281 0.000 2.046 51 L HA -0.166 4.174 4.340 0.000 0.000 0.208 51 L C 1.968 179.055 176.870 0.361 0.000 1.077 51 L CA 0.803 55.862 54.840 0.366 0.000 0.747 51 L CB -0.155 42.173 42.059 0.447 0.000 0.896 51 L HN 0.228 nan 8.230 nan 0.000 0.432 52 V N -0.184 119.911 119.914 0.303 0.000 2.255 52 V HA -0.120 4.000 4.120 0.000 0.000 0.243 52 V C -0.172 175.983 176.094 0.101 0.000 1.038 52 V CA 1.650 64.057 62.300 0.178 0.000 1.008 52 V CB -1.497 30.333 31.823 0.012 0.000 0.645 52 V HN 0.265 nan 8.190 nan 0.000 0.449 53 P HA -0.215 nan 4.420 nan 0.000 0.216 53 P C 1.978 179.364 177.300 0.142 0.000 1.167 53 P CA 1.805 64.940 63.100 0.059 0.000 0.914 53 P CB -0.111 31.588 31.700 -0.002 0.000 0.793 54 L N -1.853 119.463 121.223 0.155 0.000 2.042 54 L HA -0.191 4.149 4.340 0.000 0.000 0.210 54 L C 2.588 179.586 176.870 0.212 0.000 1.076 54 L CA 1.394 56.255 54.840 0.034 0.000 0.749 54 L CB -0.893 40.829 42.059 -0.562 0.000 0.893 54 L HN -0.018 nan 8.230 nan 0.000 0.432 55 L N -0.959 120.463 121.223 0.333 0.000 2.093 55 L HA -0.190 4.151 4.340 0.000 0.000 0.208 55 L C 2.557 179.600 176.870 0.288 0.000 1.085 55 L CA 1.371 56.480 54.840 0.449 0.000 0.755 55 L CB -0.612 41.704 42.059 0.428 0.000 0.904 55 L HN 0.280 nan 8.230 nan 0.000 0.435 56 T N 0.019 114.686 114.554 0.189 0.000 2.867 56 T HA -0.122 4.229 4.350 0.000 0.000 0.268 56 T C 1.958 176.854 174.700 0.327 0.000 1.057 56 T CA 0.946 63.146 62.100 0.167 0.000 1.136 56 T CB -0.129 68.805 68.868 0.110 0.000 0.874 56 T HN 0.190 nan 8.240 nan 0.000 0.466 57 L N 0.664 122.058 121.223 0.285 0.000 2.017 57 L HA -0.093 4.248 4.340 0.000 0.000 0.208 57 L C 2.878 179.934 176.870 0.311 0.000 1.073 57 L CA 1.399 56.410 54.840 0.286 0.000 0.745 57 L CB -0.503 41.669 42.059 0.188 0.000 0.894 57 L HN 0.185 nan 8.230 nan 0.000 0.432 58 R N 0.449 121.139 120.500 0.316 0.000 2.103 58 R HA -0.204 4.137 4.340 0.000 0.000 0.242 58 R C 2.430 178.926 176.300 0.326 0.000 1.142 58 R CA 1.591 57.882 56.100 0.318 0.000 0.960 58 R CB -0.122 30.420 30.300 0.403 0.000 0.858 58 R HN 0.283 nan 8.270 nan 0.000 0.439 59 R N -0.796 119.897 120.500 0.321 0.000 2.081 59 R HA -0.132 4.209 4.340 0.000 0.000 0.235 59 R C 2.215 178.568 176.300 0.089 0.000 1.131 59 R CA 1.747 57.963 56.100 0.194 0.000 0.960 59 R CB -0.366 29.906 30.300 -0.047 0.000 0.856 59 R HN 0.237 nan 8.270 nan 0.000 0.436 60 F N 1.025 121.065 119.950 0.150 0.000 2.186 60 F HA -0.168 4.359 4.527 0.001 0.000 0.299 60 F C 2.772 178.690 175.800 0.197 0.000 1.090 60 F CA 1.369 59.486 58.000 0.194 0.000 1.307 60 F CB -0.215 38.865 39.000 0.133 0.000 1.019 60 F HN 0.075 nan 8.300 nan 0.000 0.489 61 Q N 0.069 120.050 119.800 0.301 0.000 2.079 61 Q HA -0.160 4.181 4.340 0.000 0.000 0.200 61 Q C 2.423 178.480 176.000 0.096 0.000 0.974 61 Q CA 1.205 57.109 55.803 0.170 0.000 0.840 61 Q CB 0.016 28.820 28.738 0.111 0.000 0.898 61 Q HN 0.298 nan 8.270 nan 0.000 0.430 62 R N -0.225 120.337 120.500 0.105 0.000 2.083 62 R HA -0.119 4.221 4.340 0.000 0.000 0.237 62 R C 2.063 178.379 176.300 0.027 0.000 1.137 62 R CA 1.226 57.361 56.100 0.059 0.000 0.951 62 R CB -0.432 29.926 30.300 0.096 0.000 0.851 62 R HN 0.226 nan 8.270 nan 0.000 0.434 63 A N 0.025 122.864 122.820 0.032 0.000 2.248 63 A HA 0.077 4.397 4.320 0.000 0.000 0.210 63 A C 1.333 178.792 177.584 -0.209 0.000 1.174 63 A CA 1.165 53.181 52.037 -0.035 0.000 0.750 63 A CB -0.337 18.669 19.000 0.010 0.000 0.780 63 A HN 0.572 nan 8.150 nan 0.000 0.478 64 G N -2.053 106.644 108.800 -0.172 0.000 2.163 64 G HA2 -0.163 3.797 3.960 0.000 0.000 0.213 64 G HA3 -0.163 3.797 3.960 0.000 0.000 0.213 64 G C 0.037 174.775 174.900 -0.270 0.000 0.991 64 G CA 0.150 45.114 45.100 -0.226 0.000 0.653 64 G HN 0.679 nan 8.290 nan 0.000 0.518 65 H N -0.396 118.744 119.070 0.117 0.000 2.517 65 H HA 0.611 5.167 4.556 0.001 0.000 0.346 65 H C 0.476 175.855 175.328 0.085 0.000 1.222 65 H CA -0.351 55.770 56.048 0.122 0.000 1.314 65 H CB 1.116 31.003 29.762 0.208 0.000 1.609 65 H HN 0.305 nan 8.280 nan 0.000 0.571 66 R N 1.994 122.612 120.500 0.196 0.000 2.294 66 R HA 0.289 4.630 4.340 0.000 0.000 0.319 66 R C -2.815 173.519 176.300 0.058 0.000 0.984 66 R CA -1.693 54.459 56.100 0.087 0.000 0.861 66 R CB 1.046 31.381 30.300 0.059 0.000 1.104 66 R HN 0.367 nan 8.270 nan 0.000 0.451 67 P HA 0.318 nan 4.420 nan 0.000 0.298 67 P C -0.853 176.430 177.300 -0.027 0.000 1.314 67 P CA -0.426 62.676 63.100 0.004 0.000 0.854 67 P CB 1.603 33.312 31.700 0.016 0.000 1.019 68 I N 2.604 123.190 120.570 0.026 0.000 2.406 68 I HA 0.293 4.464 4.170 0.000 0.000 0.290 68 I C -0.123 176.077 176.117 0.138 0.000 0.999 68 I CA -1.228 60.092 61.300 0.032 0.000 1.124 68 I CB 2.364 40.359 38.000 -0.007 0.000 1.289 68 I HN -0.034 nan 8.210 nan 0.000 0.441 69 V N 7.029 127.024 119.914 0.135 0.000 2.348 69 V HA 0.192 4.312 4.120 0.000 0.000 0.270 69 V C -0.143 176.097 176.094 0.243 0.000 1.037 69 V CA -0.508 61.928 62.300 0.226 0.000 0.872 69 V CB 1.375 33.246 31.823 0.079 0.000 1.002 69 V HN 0.368 nan 8.190 nan 0.000 0.464 70 L N 6.378 127.794 121.223 0.322 0.000 2.268 70 L HA 0.653 4.993 4.340 0.000 0.000 0.289 70 L C 0.666 177.659 176.870 0.204 0.000 1.064 70 L CA -0.130 54.832 54.840 0.203 0.000 0.824 70 L CB 0.718 42.857 42.059 0.134 0.000 1.202 70 L HN 0.674 nan 8.230 nan 0.000 0.433 71 A N 4.024 126.905 122.820 0.101 0.000 2.404 71 A HA 0.510 4.830 4.320 0.000 0.000 0.273 71 A C 0.897 178.398 177.584 -0.139 0.000 1.144 71 A CA 0.128 52.118 52.037 -0.079 0.000 0.806 71 A CB -0.125 18.821 19.000 -0.090 0.000 1.080 71 A HN 0.957 nan 8.150 nan 0.000 0.509 72 G N 2.296 111.005 108.800 -0.151 0.000 3.213 72 G HA2 0.370 4.330 3.960 0.000 0.000 0.263 72 G HA3 0.370 4.330 3.960 0.000 0.000 0.263 72 G C 0.930 175.732 174.900 -0.162 0.000 0.829 72 G CA 0.339 45.374 45.100 -0.108 0.000 1.983 72 G HN 1.037 nan 8.290 nan 0.000 0.616 73 G N 1.310 109.991 108.800 -0.199 0.000 2.408 73 G HA2 0.010 3.970 3.960 0.000 0.000 0.217 73 G HA3 0.010 3.970 3.960 0.000 0.000 0.217 73 G C 1.935 176.748 174.900 -0.145 0.000 1.150 73 G CA 1.278 46.268 45.100 -0.183 0.000 0.776 73 G HN 0.681 nan 8.290 nan 0.000 0.542 74 A N 0.683 123.412 122.820 -0.152 0.000 1.869 74 A HA -0.136 4.184 4.320 0.000 0.000 0.218 74 A C 2.542 180.087 177.584 -0.065 0.000 1.203 74 A CA 2.781 54.749 52.037 -0.115 0.000 0.638 74 A CB -1.198 17.737 19.000 -0.109 0.000 0.831 74 A HN 0.309 nan 8.150 nan 0.000 0.450 75 T N -0.393 114.148 114.554 -0.022 0.000 2.777 75 T HA 0.008 4.359 4.350 0.000 0.000 0.266 75 T C 1.989 176.654 174.700 -0.059 0.000 1.040 75 T CA 1.337 63.432 62.100 -0.008 0.000 1.141 75 T CB -0.756 68.150 68.868 0.064 0.000 0.868 75 T HN 0.631 nan 8.240 nan 0.000 0.444 76 G N 1.128 109.882 108.800 -0.077 0.000 2.469 76 G HA2 -0.272 3.688 3.960 0.000 0.000 0.220 76 G HA3 -0.272 3.688 3.960 0.000 0.000 0.220 76 G C 1.543 176.400 174.900 -0.071 0.000 1.136 76 G CA 1.028 46.075 45.100 -0.088 0.000 0.759 76 G HN 0.450 nan 8.290 nan 0.000 0.562 77 M N -0.532 119.024 119.600 -0.072 0.000 2.288 77 M HA 0.259 4.739 4.480 0.000 0.000 0.266 77 M C 2.261 178.529 176.300 -0.054 0.000 1.072 77 M CA 0.985 56.248 55.300 -0.061 0.000 1.132 77 M CB 0.030 32.590 32.600 -0.068 0.000 1.386 77 M HN 0.211 nan 8.290 nan 0.000 0.432 78 I N -0.510 120.026 120.570 -0.057 0.000 2.716 78 I HA -0.050 4.120 4.170 0.000 0.000 0.259 78 I C 2.321 178.409 176.117 -0.049 0.000 1.172 78 I CA 0.779 62.048 61.300 -0.052 0.000 1.478 78 I CB -0.581 37.386 38.000 -0.055 0.000 1.104 78 I HN 0.392 nan 8.210 nan 0.000 0.439 79 G N 0.123 108.888 108.800 -0.057 0.000 2.511 79 G HA2 -0.128 3.832 3.960 0.000 0.000 0.216 79 G HA3 -0.128 3.832 3.960 0.000 0.000 0.216 79 G C 0.410 175.275 174.900 -0.059 0.000 1.218 79 G CA 1.089 46.146 45.100 -0.072 0.000 0.788 79 G HN 0.335 nan 8.290 nan 0.000 0.560 95 V N 1.309 121.248 119.914 0.042 0.000 2.719 95 V HA 0.071 4.192 4.120 0.000 0.000 0.252 95 V C 2.853 179.028 176.094 0.136 0.000 1.065 95 V CA 1.935 64.274 62.300 0.066 0.000 1.086 95 V CB -0.711 31.098 31.823 -0.024 0.000 0.700 95 V HN 0.662 nan 8.190 nan 0.000 0.467 96 A N -0.527 122.340 122.820 0.080 0.000 1.897 96 A HA -0.138 4.182 4.320 0.000 0.000 0.215 96 A C 2.248 179.872 177.584 0.068 0.000 1.181 96 A CA 1.238 53.314 52.037 0.066 0.000 0.620 96 A CB -0.340 18.677 19.000 0.028 0.000 0.821 96 A HN 0.440 nan 8.150 nan 0.000 0.443 97 E N -0.971 119.271 120.200 0.070 0.000 2.058 97 E HA -0.246 4.105 4.350 0.000 0.000 0.194 97 E C 1.721 178.370 176.600 0.082 0.000 0.997 97 E CA 1.446 57.879 56.400 0.054 0.000 0.801 97 E CB -0.419 29.311 29.700 0.050 0.000 0.746 97 E HN 0.833 nan 8.360 nan 0.000 0.450 98 W N 2.009 123.283 121.300 -0.043 0.000 2.302 98 W HA -0.280 4.381 4.660 0.001 0.000 0.320 98 W C 2.291 178.771 176.519 -0.065 0.000 1.241 98 W CA 2.959 60.277 57.345 -0.045 0.000 1.264 98 W CB -0.771 28.669 29.460 -0.033 0.000 1.154 98 W HN -0.007 nan 8.180 nan 0.000 0.483 99 T N 0.918 115.474 114.554 0.002 0.000 2.597 99 T HA -0.311 4.040 4.350 0.000 0.000 0.267 99 T C 1.299 175.778 174.700 -0.368 0.000 1.053 99 T CA 2.208 64.148 62.100 -0.266 0.000 1.165 99 T CB -0.534 68.309 68.868 -0.041 0.000 0.863 99 T HN 0.078 nan 8.240 nan 0.000 0.427 100 E N 0.136 120.203 120.200 -0.220 0.000 2.274 100 E HA 0.085 4.435 4.350 0.000 0.000 0.194 100 E C 2.164 178.631 176.600 -0.222 0.000 0.996 100 E CA 0.393 56.669 56.400 -0.207 0.000 0.840 100 E CB -0.185 29.438 29.700 -0.128 0.000 0.772 100 E HN 0.351 nan 8.360 nan 0.000 0.491 101 R N -0.120 120.235 120.500 -0.242 0.000 2.115 101 R HA -0.008 4.332 4.340 0.000 0.000 0.226 101 R C 1.275 177.383 176.300 -0.321 0.000 1.100 101 R CA 0.824 56.786 56.100 -0.229 0.000 0.980 101 R CB 0.132 30.330 30.300 -0.171 0.000 0.875 101 R HN 0.106 nan 8.270 nan 0.000 0.445 102 I N -0.200 120.052 120.570 -0.530 0.000 3.081 102 I HA -0.020 4.151 4.170 0.000 0.000 0.274 102 I C 2.213 178.053 176.117 -0.463 0.000 1.178 102 I CA 0.588 61.516 61.300 -0.621 0.000 1.460 102 I CB -0.841 36.403 38.000 -1.259 0.000 1.137 102 I HN 0.154 nan 8.210 nan 0.000 0.443 103 R N 1.386 121.619 120.500 -0.446 0.000 2.117 103 R HA -0.183 4.157 4.340 0.000 0.000 0.243 103 R C 2.257 178.381 176.300 -0.294 0.000 1.143 103 R CA 1.930 57.785 56.100 -0.407 0.000 0.968 103 R CB -0.526 29.531 30.300 -0.404 0.000 0.863 103 R HN 0.357 nan 8.270 nan 0.000 0.444 104 G N 0.050 108.712 108.800 -0.229 0.000 2.446 104 G HA2 -0.311 3.649 3.960 0.000 0.000 0.217 104 G HA3 -0.311 3.649 3.960 0.000 0.000 0.217 104 G C 1.196 176.024 174.900 -0.119 0.000 1.168 104 G CA 0.911 45.916 45.100 -0.158 0.000 0.771 104 G HN 0.456 nan 8.290 nan 0.000 0.551 105 Q N -0.258 119.467 119.800 -0.125 0.000 1.994 105 Q HA 0.124 4.464 4.340 0.000 0.000 0.198 105 Q C 2.703 178.757 176.000 0.089 0.000 0.976 105 Q CA 0.760 56.540 55.803 -0.039 0.000 0.828 105 Q CB -0.365 28.334 28.738 -0.065 0.000 0.894 105 Q HN 0.373 nan 8.270 nan 0.000 0.432 106 L N 1.052 122.257 121.223 -0.031 0.000 2.051 106 L HA -0.282 4.058 4.340 0.000 0.000 0.214 106 L C 2.238 179.276 176.870 0.281 0.000 1.076 106 L CA 1.432 56.311 54.840 0.065 0.000 0.758 106 L CB -0.333 41.691 42.059 -0.059 0.000 0.890 106 L HN 0.322 nan 8.230 nan 0.000 0.433 107 E N -0.805 119.492 120.200 0.162 0.000 2.204 107 E HA -0.194 4.156 4.350 0.000 0.000 0.195 107 E C 2.198 178.886 176.600 0.146 0.000 0.990 107 E CA 0.481 57.007 56.400 0.211 0.000 0.821 107 E CB 0.084 29.806 29.700 0.036 0.000 0.750 107 E HN 0.335 nan 8.360 nan 0.000 0.477 108 R N -0.224 120.328 120.500 0.087 0.000 2.152 108 R HA -0.122 4.219 4.340 0.000 0.000 0.232 108 R C 1.740 177.940 176.300 -0.167 0.000 1.117 108 R CA 1.135 57.186 56.100 -0.082 0.000 0.981 108 R CB -0.425 29.750 30.300 -0.208 0.000 0.870 108 R HN 0.258 nan 8.270 nan 0.000 0.451 109 F N -0.211 119.766 119.950 0.046 0.000 2.298 109 F HA 0.055 4.582 4.527 0.001 0.000 0.282 109 F C 1.332 177.171 175.800 0.064 0.000 1.045 109 F CA 0.065 58.110 58.000 0.074 0.000 1.280 109 F CB -0.290 38.769 39.000 0.098 0.000 1.114 109 F HN -0.255 nan 8.300 nan 0.000 0.546 110 V N -2.091 117.987 119.914 0.274 0.000 2.881 110 V HA 0.545 4.665 4.120 0.000 0.000 0.316 110 V C -1.126 174.989 176.094 0.035 0.000 1.070 110 V CA -1.023 61.329 62.300 0.086 0.000 0.976 110 V CB 1.815 33.610 31.823 -0.046 0.000 1.038 110 V HN -0.104 nan 8.190 nan 0.000 0.446 111 D N 1.999 122.347 120.400 -0.087 0.000 2.233 111 D HA 0.498 5.139 4.640 0.000 0.000 0.240 111 D C -1.065 175.117 176.300 -0.198 0.000 1.074 111 D CA 0.193 54.175 54.000 -0.031 0.000 0.838 111 D CB 1.419 42.212 40.800 -0.012 0.000 1.124 111 D HN 0.510 nan 8.370 nan 0.000 0.475 112 F N 2.473 122.426 119.950 0.006 0.000 2.313 112 F HA 0.217 4.745 4.527 0.000 0.000 0.369 112 F C 0.656 176.458 175.800 0.003 0.000 1.109 112 F CA -0.907 57.095 58.000 0.003 0.000 1.132 112 F CB 0.549 39.543 39.000 -0.009 0.000 1.291 112 F HN 0.157 nan 8.300 nan 0.000 0.496 113 D N -0.758 119.704 120.400 0.104 0.000 2.585 113 D HA 0.499 5.140 4.640 0.000 0.000 0.254 113 D C -0.425 175.914 176.300 0.065 0.000 1.067 113 D CA -0.666 53.379 54.000 0.075 0.000 1.090 113 D CB 0.912 41.736 40.800 0.040 0.000 1.408 113 D HN 0.305 nan 8.370 nan 0.000 0.554 114 D N -0.867 119.563 120.400 0.050 0.000 2.973 114 D HA 0.501 5.141 4.640 0.000 0.000 0.263 114 D C 0.149 176.469 176.300 0.033 0.000 1.266 114 D CA 0.002 54.029 54.000 0.045 0.000 0.975 114 D CB -0.317 40.507 40.800 0.039 0.000 1.032 114 D HN 0.598 nan 8.370 nan 0.000 0.510 115 S N -1.467 114.251 115.700 0.030 0.000 2.880 115 S HA 0.743 5.213 4.470 0.000 0.000 0.308 115 S C -1.966 172.648 174.600 0.024 0.000 1.195 115 S CA -0.182 58.032 58.200 0.023 0.000 0.866 115 S CB 1.577 64.787 63.200 0.017 0.000 1.254 115 S HN 0.017 nan 8.310 nan 0.000 0.571 116 P HA 0.171 nan 4.420 nan 0.000 0.219 116 P C 1.079 178.396 177.300 0.027 0.000 1.154 116 P CA 1.056 64.172 63.100 0.027 0.000 0.826 116 P CB -0.185 31.530 31.700 0.025 0.000 0.795 117 M N -0.337 119.273 119.600 0.016 0.000 2.494 117 M HA 0.246 4.726 4.480 0.000 0.000 0.232 117 M C 1.048 177.338 176.300 -0.016 0.000 1.137 117 M CA -0.200 55.109 55.300 0.014 0.000 1.012 117 M CB -0.056 32.551 32.600 0.011 0.000 1.567 117 M HN -0.181 nan 8.290 nan 0.000 0.486 118 G N 1.010 109.796 108.800 -0.023 0.000 2.491 118 G HA2 0.454 4.415 3.960 0.000 0.000 0.238 118 G HA3 0.454 4.415 3.960 0.000 0.000 0.238 118 G C 0.180 174.990 174.900 -0.150 0.000 1.277 118 G CA -0.389 44.672 45.100 -0.067 0.000 0.851 118 G HN 0.451 nan 8.290 nan 0.000 0.573 119 A N 1.107 123.706 122.820 -0.367 0.000 2.346 119 A HA 0.626 4.946 4.320 0.000 0.000 0.255 119 A C 0.235 177.580 177.584 -0.399 0.000 1.113 119 A CA 0.006 51.654 52.037 -0.649 0.000 0.798 119 A CB 0.326 18.354 19.000 -1.619 0.000 1.073 119 A HN 1.590 nan 8.150 nan 0.000 0.502 120 I N -0.196 120.241 120.570 -0.222 0.000 2.750 120 I HA 0.280 4.451 4.170 0.000 0.000 0.283 120 I C -1.658 174.537 176.117 0.131 0.000 1.464 120 I CA -0.567 60.776 61.300 0.071 0.000 1.093 120 I CB 1.176 39.161 38.000 -0.025 0.000 1.417 120 I HN 0.354 nan 8.210 nan 0.000 0.424 121 V N 7.102 127.161 119.914 0.242 0.000 2.385 121 V HA 0.426 4.546 4.120 0.000 0.000 0.269 121 V C 0.399 176.559 176.094 0.111 0.000 1.043 121 V CA -0.289 62.117 62.300 0.176 0.000 0.906 121 V CB 1.047 32.970 31.823 0.167 0.000 0.995 121 V HN 0.602 nan 8.190 nan 0.000 0.467 122 E N 3.336 123.584 120.200 0.081 0.000 2.250 122 E HA 0.395 4.745 4.350 0.000 0.000 0.265 122 E C -0.699 175.921 176.600 0.034 0.000 1.033 122 E CA -0.636 55.803 56.400 0.065 0.000 0.888 122 E CB 1.971 31.713 29.700 0.072 0.000 1.151 122 E HN 0.606 nan 8.360 nan 0.000 0.412 123 N N 1.639 120.307 118.700 -0.053 0.000 2.448 123 N HA 0.028 4.768 4.740 0.000 0.000 0.279 123 N C 0.220 175.428 175.510 -0.504 0.000 1.025 123 N CA -0.376 52.566 53.050 -0.179 0.000 0.898 123 N CB 0.631 39.048 38.487 -0.116 0.000 1.303 123 N HN 0.389 nan 8.380 nan 0.000 0.495 124 N N 4.683 122.987 118.700 -0.660 0.000 2.571 124 N HA -0.081 4.659 4.740 0.000 0.000 0.189 124 N C 0.991 175.785 175.510 -1.193 0.000 1.154 124 N CA 0.401 52.610 53.050 -1.401 0.000 0.907 124 N CB -0.057 38.013 38.487 -0.697 0.000 0.977 124 N HN 0.602 nan 8.380 nan 0.000 0.449 125 L N 0.357 121.204 121.223 -0.627 0.000 2.201 125 L HA -0.057 4.283 4.340 0.000 0.000 0.212 125 L C 2.187 178.850 176.870 -0.344 0.000 1.105 125 L CA 0.846 55.446 54.840 -0.400 0.000 0.775 125 L CB -0.270 41.651 42.059 -0.230 0.000 0.913 125 L HN 0.052 nan 8.230 nan 0.000 0.440 126 E N -0.090 119.887 120.200 -0.371 0.000 2.187 126 E HA -0.257 4.093 4.350 0.000 0.000 0.199 126 E C 1.772 178.404 176.600 0.053 0.000 1.004 126 E CA 2.108 58.438 56.400 -0.116 0.000 0.813 126 E CB -0.183 29.524 29.700 0.011 0.000 0.736 126 E HN 0.802 nan 8.360 nan 0.000 0.468 127 W N -1.073 120.235 121.300 0.014 0.000 2.798 127 W HA 0.192 4.852 4.660 0.000 0.000 0.260 127 W C 2.028 178.559 176.519 0.019 0.000 1.165 127 W CA 0.619 57.975 57.345 0.018 0.000 1.501 127 W CB -0.782 28.691 29.460 0.021 0.000 1.023 127 W HN -0.255 nan 8.180 nan 0.000 0.615 128 T N 1.234 115.720 114.554 -0.112 0.000 2.821 128 T HA -0.069 4.282 4.350 0.000 0.000 0.267 128 T C 2.075 176.754 174.700 -0.035 0.000 1.046 128 T CA 1.804 63.894 62.100 -0.016 0.000 1.139 128 T CB -1.068 67.725 68.868 -0.125 0.000 0.871 128 T HN 0.433 nan 8.240 nan 0.000 0.454 129 G N 1.668 110.416 108.800 -0.086 0.000 2.475 129 G HA2 -0.203 3.758 3.960 0.000 0.000 0.220 129 G HA3 -0.203 3.758 3.960 0.000 0.000 0.220 129 G C 1.556 176.447 174.900 -0.016 0.000 1.125 129 G CA 1.260 46.324 45.100 -0.060 0.000 0.755 129 G HN 0.658 nan 8.290 nan 0.000 0.565 130 S N -0.995 114.716 115.700 0.018 0.000 2.568 130 S HA 0.427 4.897 4.470 0.000 0.000 0.232 130 S C 0.244 174.878 174.600 0.057 0.000 0.975 130 S CA -0.618 57.603 58.200 0.036 0.000 0.949 130 S CB 0.313 63.541 63.200 0.046 0.000 0.829 130 S HN 0.118 nan 8.310 nan 0.000 0.479 131 L N 4.057 125.319 121.223 0.066 0.000 2.278 131 L HA 0.487 4.827 4.340 0.000 0.000 0.287 131 L C 0.282 177.193 176.870 0.069 0.000 1.072 131 L CA -0.041 54.855 54.840 0.094 0.000 0.819 131 L CB 0.806 42.946 42.059 0.135 0.000 1.176 131 L HN 0.376 nan 8.230 nan 0.000 0.435 132 S N 3.729 119.478 115.700 0.081 0.000 2.593 132 S HA 0.445 4.916 4.470 0.000 0.000 0.269 132 S C 1.436 176.098 174.600 0.103 0.000 1.334 132 S CA -0.222 58.020 58.200 0.070 0.000 1.015 132 S CB 1.187 64.427 63.200 0.067 0.000 0.912 132 S HN 0.899 nan 8.310 nan 0.000 0.541 133 A N 1.995 124.862 122.820 0.079 0.000 1.892 133 A HA -0.109 4.212 4.320 0.000 0.000 0.218 133 A C 1.994 179.693 177.584 0.191 0.000 1.188 133 A CA 1.801 53.912 52.037 0.122 0.000 0.631 133 A CB -1.110 17.938 19.000 0.080 0.000 0.822 133 A HN 0.873 nan 8.150 nan 0.000 0.447 134 I N -0.673 119.974 120.570 0.129 0.000 2.252 134 I HA -0.241 3.929 4.170 0.000 0.000 0.245 134 I C 2.498 178.687 176.117 0.121 0.000 1.102 134 I CA 1.571 62.939 61.300 0.113 0.000 1.385 134 I CB -0.374 37.670 38.000 0.074 0.000 1.064 134 I HN 0.414 nan 8.210 nan 0.000 0.414 135 E N 0.323 120.602 120.200 0.131 0.000 2.051 135 E HA -0.264 4.086 4.350 0.000 0.000 0.192 135 E C 2.066 178.765 176.600 0.165 0.000 0.991 135 E CA 1.519 57.996 56.400 0.129 0.000 0.799 135 E CB -0.253 29.523 29.700 0.126 0.000 0.748 135 E HN 0.384 nan 8.360 nan 0.000 0.449 136 F N 1.525 121.510 119.950 0.059 0.000 2.065 136 F HA -0.253 4.274 4.527 0.000 0.000 0.298 136 F C 1.917 177.754 175.800 0.061 0.000 1.112 136 F CA 1.586 59.621 58.000 0.057 0.000 1.212 136 F CB -0.232 38.797 39.000 0.049 0.000 0.975 136 F HN -0.068 nan 8.300 nan 0.000 0.476 137 L N -0.596 120.683 121.223 0.092 0.000 2.141 137 L HA -0.141 4.200 4.340 0.000 0.000 0.209 137 L C 2.742 179.594 176.870 -0.029 0.000 1.094 137 L CA 1.199 56.034 54.840 -0.009 0.000 0.763 137 L CB -0.586 41.545 42.059 0.119 0.000 0.908 137 L HN 0.126 nan 8.230 nan 0.000 0.437 138 R N -0.097 120.411 120.500 0.013 0.000 2.055 138 R HA -0.074 4.266 4.340 0.000 0.000 0.221 138 R C 1.546 177.844 176.300 -0.003 0.000 1.154 138 R CA 1.307 57.410 56.100 0.006 0.000 0.975 138 R CB 0.144 30.459 30.300 0.027 0.000 0.869 138 R HN 0.273 nan 8.270 nan 0.000 0.437 139 D N -0.346 120.074 120.400 0.034 0.000 2.327 139 D HA 0.044 4.684 4.640 0.000 0.000 0.205 139 D C 1.786 178.183 176.300 0.163 0.000 0.989 139 D CA 0.661 54.710 54.000 0.081 0.000 0.873 139 D CB 0.496 41.345 40.800 0.083 0.000 0.955 139 D HN 0.282 nan 8.370 nan 0.000 0.515 140 I N 0.392 121.010 120.570 0.080 0.000 2.962 140 I HA 0.069 4.239 4.170 0.000 0.000 0.246 140 I C 2.490 178.694 176.117 0.145 0.000 1.091 140 I CA 0.605 61.972 61.300 0.111 0.000 1.469 140 I CB -0.438 37.501 38.000 -0.101 0.000 1.324 140 I HN -0.085 nan 8.210 nan 0.000 0.461 141 G N 1.062 109.769 108.800 -0.155 0.000 2.462 141 G HA2 -0.289 3.671 3.960 0.000 0.000 0.220 141 G HA3 -0.289 3.671 3.960 0.000 0.000 0.220 141 G C 1.615 176.554 174.900 0.066 0.000 1.121 141 G CA 0.868 45.890 45.100 -0.130 0.000 0.758 141 G HN 0.145 nan 8.290 nan 0.000 0.559 142 K N 0.280 120.680 120.400 0.001 0.000 2.288 142 K HA -0.011 4.310 4.320 0.000 0.000 0.201 142 K C 1.781 178.298 176.600 -0.140 0.000 1.048 142 K CA 0.544 56.776 56.287 -0.092 0.000 0.956 142 K CB -0.183 32.199 32.500 -0.197 0.000 0.746 142 K HN 0.431 nan 8.250 nan 0.000 0.461 143 H N -1.198 117.881 119.070 0.015 0.000 2.543 143 H HA 0.075 4.631 4.556 0.001 0.000 0.269 143 H C -0.561 174.546 175.328 -0.369 0.000 1.005 143 H CA 0.341 56.286 56.048 -0.172 0.000 1.146 143 H CB 0.006 29.605 29.762 -0.271 0.000 1.353 143 H HN -0.006 nan 8.280 nan 0.000 0.595 144 F N 0.662 120.607 119.950 -0.007 0.000 2.507 144 F HA 0.203 4.730 4.527 -0.000 0.000 0.325 144 F C 0.362 176.152 175.800 -0.017 0.000 1.116 144 F CA -0.935 57.045 58.000 -0.033 0.000 0.930 144 F CB 1.882 40.831 39.000 -0.086 0.000 1.146 144 F HN -0.210 nan 8.300 nan 0.000 0.447 145 S N 2.794 118.578 115.700 0.140 0.000 2.438 145 S HA 0.349 4.819 4.470 0.000 0.000 0.293 145 S C 0.795 175.494 174.600 0.164 0.000 1.141 145 S CA -0.676 57.593 58.200 0.115 0.000 1.080 145 S CB 1.192 64.428 63.200 0.061 0.000 0.978 145 S HN 0.472 nan 8.310 nan 0.000 0.479 146 V N 5.148 125.173 119.914 0.185 0.000 2.282 146 V HA -0.213 3.907 4.120 0.000 0.000 0.249 146 V C 2.387 178.614 176.094 0.222 0.000 1.057 146 V CA 2.264 64.722 62.300 0.263 0.000 1.032 146 V CB -0.999 30.958 31.823 0.223 0.000 0.645 146 V HN 0.818 nan 8.190 nan 0.000 0.447 147 N N 0.161 118.945 118.700 0.140 0.000 2.043 147 N HA -0.151 4.589 4.740 0.000 0.000 0.193 147 N C 1.782 177.362 175.510 0.116 0.000 1.037 147 N CA 1.679 54.794 53.050 0.108 0.000 0.851 147 N CB -0.769 37.762 38.487 0.072 0.000 1.027 147 N HN 0.372 nan 8.380 nan 0.000 0.422 148 V N 1.812 121.789 119.914 0.106 0.000 2.287 148 V HA -0.255 3.865 4.120 0.000 0.000 0.248 148 V C 2.384 178.553 176.094 0.124 0.000 1.053 148 V CA 1.542 63.898 62.300 0.094 0.000 1.027 148 V CB -0.512 31.350 31.823 0.065 0.000 0.646 148 V HN 0.282 nan 8.190 nan 0.000 0.447 149 M N -0.724 118.973 119.600 0.162 0.000 2.065 149 M HA -0.213 4.267 4.480 0.000 0.000 0.259 149 M C 2.271 178.723 176.300 0.253 0.000 1.071 149 M CA 2.066 57.468 55.300 0.171 0.000 1.109 149 M CB -0.661 32.005 32.600 0.110 0.000 1.313 149 M HN 0.249 nan 8.290 nan 0.000 0.408 150 L N 0.075 121.485 121.223 0.313 0.000 2.081 150 L HA -0.163 4.177 4.340 0.000 0.000 0.212 150 L C 1.778 178.735 176.870 0.145 0.000 1.080 150 L CA 0.640 55.612 54.840 0.221 0.000 0.754 150 L CB -0.850 41.292 42.059 0.137 0.000 0.893 150 L HN 0.299 nan 8.230 nan 0.000 0.433 151 A N 1.043 123.938 122.820 0.126 0.000 3.004 151 A HA 0.164 4.484 4.320 0.000 0.000 0.254 151 A C 0.208 177.851 177.584 0.097 0.000 1.857 151 A CA 0.391 52.485 52.037 0.094 0.000 1.460 151 A CB -0.785 18.264 19.000 0.081 0.000 0.963 151 A HN 0.354 nan 8.150 nan 0.000 0.624 152 R N -0.292 120.270 120.500 0.102 0.000 2.535 152 R HA 0.190 4.530 4.340 0.000 0.000 0.274 152 R C -0.762 175.593 176.300 0.092 0.000 1.090 152 R CA -0.837 55.327 56.100 0.106 0.000 0.930 152 R CB 1.294 31.669 30.300 0.126 0.000 1.223 152 R HN 0.252 nan 8.270 nan 0.000 0.441 153 D N 0.563 121.011 120.400 0.079 0.000 2.182 153 D HA -0.139 4.501 4.640 0.000 0.000 0.201 153 D C 1.239 177.581 176.300 0.070 0.000 0.986 153 D CA 1.763 55.801 54.000 0.064 0.000 0.847 153 D CB 0.270 41.100 40.800 0.050 0.000 0.942 153 D HN 0.463 nan 8.370 nan 0.000 0.467 154 T N 0.590 115.195 114.554 0.086 0.000 2.622 154 T HA -0.091 4.259 4.350 0.000 0.000 0.266 154 T C 2.160 176.915 174.700 0.091 0.000 1.047 154 T CA 0.732 62.885 62.100 0.088 0.000 1.159 154 T CB -0.229 68.701 68.868 0.104 0.000 0.863 154 T HN 0.156 nan 8.240 nan 0.000 0.422 155 I N 0.354 120.991 120.570 0.112 0.000 2.353 155 I HA -0.085 4.085 4.170 0.000 0.000 0.248 155 I C 2.785 178.957 176.117 0.093 0.000 1.119 155 I CA 0.986 62.362 61.300 0.127 0.000 1.417 155 I CB -0.346 37.771 38.000 0.196 0.000 1.078 155 I HN 0.132 nan 8.210 nan 0.000 0.421 156 R N 1.058 121.607 120.500 0.082 0.000 2.096 156 R HA -0.136 4.204 4.340 0.000 0.000 0.235 156 R C 2.438 178.765 176.300 0.045 0.000 1.127 156 R CA 1.273 57.407 56.100 0.058 0.000 0.968 156 R CB -0.043 30.291 30.300 0.055 0.000 0.861 156 R HN 0.235 nan 8.270 nan 0.000 0.440 157 R N -0.284 120.245 120.500 0.048 0.000 2.066 157 R HA -0.037 4.303 4.340 0.000 0.000 0.232 157 R C 2.382 178.705 176.300 0.037 0.000 1.131 157 R CA 1.456 57.580 56.100 0.040 0.000 0.955 157 R CB -0.166 30.159 30.300 0.042 0.000 0.851 157 R HN 0.217 nan 8.270 nan 0.000 0.432 158 R N 0.552 121.080 120.500 0.046 0.000 2.096 158 R HA -0.090 4.250 4.340 0.000 0.000 0.235 158 R C 2.359 178.677 176.300 0.031 0.000 1.127 158 R CA 1.002 57.127 56.100 0.042 0.000 0.968 158 R CB -0.341 29.993 30.300 0.056 0.000 0.861 158 R HN 0.257 nan 8.270 nan 0.000 0.440 159 L N -0.026 121.214 121.223 0.029 0.000 2.046 159 L HA -0.148 4.192 4.340 0.000 0.000 0.208 159 L C 2.565 179.440 176.870 0.009 0.000 1.077 159 L CA 1.297 56.143 54.840 0.010 0.000 0.747 159 L CB -0.435 41.626 42.059 0.004 0.000 0.896 159 L HN 0.218 nan 8.230 nan 0.000 0.432 160 A N -0.453 122.376 122.820 0.016 0.000 1.970 160 A HA 0.086 4.406 4.320 0.000 0.000 0.216 160 A C 1.891 179.483 177.584 0.013 0.000 1.170 160 A CA 1.152 53.198 52.037 0.014 0.000 0.645 160 A CB -0.734 18.276 19.000 0.017 0.000 0.816 160 A HN 0.417 nan 8.150 nan 0.000 0.447 161 G N -0.881 107.930 108.800 0.017 0.000 3.197 161 G HA2 0.208 4.168 3.960 0.000 0.000 0.167 161 G HA3 0.208 4.168 3.960 0.000 0.000 0.167 161 G C 0.646 175.554 174.900 0.014 0.000 1.914 161 G CA 0.300 45.410 45.100 0.016 0.000 0.956 161 G HN 0.228 nan 8.290 nan 0.000 0.480 162 E N 0.335 120.545 120.200 0.015 0.000 2.494 162 E HA 0.349 4.700 4.350 0.000 0.000 0.193 162 E C 0.975 177.583 176.600 0.012 0.000 1.074 162 E CA 0.676 57.083 56.400 0.013 0.000 0.867 162 E CB -0.296 29.412 29.700 0.013 0.000 0.924 162 E HN 0.907 nan 8.360 nan 0.000 0.502 163 G N 0.489 109.297 108.800 0.013 0.000 2.733 163 G HA2 -0.262 3.698 3.960 0.000 0.000 0.686 163 G HA3 -0.262 3.698 3.960 0.000 0.000 0.686 163 G C -0.612 174.299 174.900 0.018 0.000 1.373 163 G CA -0.237 44.869 45.100 0.010 0.000 0.838 163 G HN 0.243 nan 8.290 nan 0.000 0.588 164 I N 0.797 121.377 120.570 0.016 0.000 2.533 164 I HA 0.647 4.817 4.170 0.000 0.000 0.290 164 I C 0.792 176.934 176.117 0.042 0.000 1.056 164 I CA -0.284 61.038 61.300 0.036 0.000 1.057 164 I CB 1.825 39.861 38.000 0.060 0.000 1.240 164 I HN 1.231 nan 8.210 nan 0.000 0.423 165 S N 5.414 121.153 115.700 0.065 0.000 2.614 165 S HA 0.073 4.544 4.470 0.000 0.000 0.265 165 S C 0.875 175.575 174.600 0.168 0.000 1.303 165 S CA -0.102 58.158 58.200 0.099 0.000 1.000 165 S CB 0.702 63.955 63.200 0.089 0.000 0.935 165 S HN 0.749 nan 8.310 nan 0.000 0.551 166 Y N 1.745 122.092 120.300 0.078 0.000 2.333 166 Y HA -0.059 4.491 4.550 0.001 0.000 0.290 166 Y C 2.323 178.340 175.900 0.195 0.000 1.144 166 Y CA 2.145 60.338 58.100 0.155 0.000 1.228 166 Y CB -0.826 37.700 38.460 0.109 0.000 0.985 166 Y HN 0.794 nan 8.280 nan 0.000 0.542 167 T N 0.119 114.790 114.554 0.195 0.000 2.732 167 T HA -0.158 4.192 4.350 0.000 0.000 0.261 167 T C 1.525 176.245 174.700 0.033 0.000 1.040 167 T CA 1.720 63.870 62.100 0.085 0.000 1.145 167 T CB -0.197 68.721 68.868 0.083 0.000 0.866 167 T HN 0.401 nan 8.240 nan 0.000 0.427 168 E N 0.458 120.690 120.200 0.053 0.000 2.171 168 E HA -0.130 4.220 4.350 0.000 0.000 0.197 168 E C 1.701 178.370 176.600 0.116 0.000 0.997 168 E CA 0.939 57.364 56.400 0.041 0.000 0.810 168 E CB -0.261 29.462 29.700 0.039 0.000 0.738 168 E HN 0.407 nan 8.360 nan 0.000 0.467 169 F N 0.557 120.473 119.950 -0.056 0.000 2.407 169 F HA -0.072 4.456 4.527 0.001 0.000 0.299 169 F C 1.873 177.599 175.800 -0.124 0.000 1.097 169 F CA 0.930 58.882 58.000 -0.081 0.000 1.422 169 F CB 0.191 39.119 39.000 -0.120 0.000 1.067 169 F HN -0.149 nan 8.300 nan 0.000 0.539 170 S N -1.124 114.464 115.700 -0.187 0.000 2.470 170 S HA -0.098 4.372 4.470 0.000 0.000 0.222 170 S C 1.579 176.136 174.600 -0.071 0.000 1.024 170 S CA 0.253 58.317 58.200 -0.226 0.000 0.931 170 S CB -0.719 62.404 63.200 -0.128 0.000 0.791 170 S HN 0.496 nan 8.310 nan 0.000 0.513 171 Y N 3.350 123.571 120.300 -0.132 0.000 2.100 171 Y HA -0.313 4.237 4.550 0.000 0.000 0.267 171 Y C 2.111 177.950 175.900 -0.102 0.000 1.250 171 Y CA 1.383 59.431 58.100 -0.086 0.000 1.105 171 Y CB -0.782 37.641 38.460 -0.062 0.000 0.924 171 Y HN 0.175 nan 8.280 nan 0.000 0.508 172 L N -0.348 120.779 121.223 -0.160 0.000 2.034 172 L HA -0.297 4.043 4.340 0.000 0.000 0.217 172 L C 2.312 179.004 176.870 -0.297 0.000 1.077 172 L CA 2.346 57.028 54.840 -0.263 0.000 0.769 172 L CB -1.183 40.711 42.059 -0.274 0.000 0.890 172 L HN 0.426 nan 8.230 nan 0.000 0.435 173 L N -0.664 120.314 121.223 -0.408 0.000 2.017 173 L HA -0.225 4.116 4.340 0.000 0.000 0.208 173 L C 2.619 179.433 176.870 -0.094 0.000 1.073 173 L CA 1.373 55.915 54.840 -0.497 0.000 0.745 173 L CB -0.695 40.985 42.059 -0.633 0.000 0.894 173 L HN 0.205 nan 8.230 nan 0.000 0.432 174 L N -1.333 119.917 121.223 0.045 0.000 2.012 174 L HA -0.281 4.059 4.340 0.000 0.000 0.210 174 L C 2.680 179.580 176.870 0.050 0.000 1.073 174 L CA 1.266 56.174 54.840 0.113 0.000 0.748 174 L CB -0.466 41.645 42.059 0.086 0.000 0.891 174 L HN 0.307 nan 8.230 nan 0.000 0.431 175 Q N -0.472 119.259 119.800 -0.114 0.000 2.084 175 Q HA -0.188 4.153 4.340 0.000 0.000 0.202 175 Q C 2.266 178.274 176.000 0.015 0.000 0.978 175 Q CA 1.945 57.670 55.803 -0.129 0.000 0.844 175 Q CB -0.169 28.351 28.738 -0.363 0.000 0.898 175 Q HN 0.522 nan 8.270 nan 0.000 0.426 176 A N 0.525 123.356 122.820 0.018 0.000 1.858 176 A HA -0.255 4.065 4.320 0.000 0.000 0.216 176 A C 1.923 179.577 177.584 0.116 0.000 1.190 176 A CA 1.781 53.881 52.037 0.105 0.000 0.617 176 A CB -0.989 18.142 19.000 0.217 0.000 0.827 176 A HN 0.472 nan 8.150 nan 0.000 0.443 177 N N 0.443 119.207 118.700 0.106 0.000 2.094 177 N HA -0.194 4.546 4.740 0.000 0.000 0.191 177 N C 1.123 176.649 175.510 0.026 0.000 1.023 177 N CA 1.968 55.065 53.050 0.079 0.000 0.857 177 N CB -0.426 38.154 38.487 0.154 0.000 1.013 177 N HN 0.436 nan 8.380 nan 0.000 0.426 178 D N -1.005 119.502 120.400 0.180 0.000 2.149 178 D HA -0.199 4.441 4.640 0.000 0.000 0.194 178 D C 1.567 177.867 176.300 0.000 0.000 1.001 178 D CA 0.919 55.050 54.000 0.218 0.000 0.849 178 D CB -0.487 40.520 40.800 0.345 0.000 0.939 178 D HN 0.353 nan 8.370 nan 0.000 0.449 179 Y N 1.217 121.511 120.300 -0.011 0.000 2.145 179 Y HA -0.155 4.395 4.550 0.000 0.000 0.286 179 Y C 2.350 178.193 175.900 -0.096 0.000 1.145 179 Y CA 0.424 58.536 58.100 0.021 0.000 1.148 179 Y CB -0.647 37.851 38.460 0.063 0.000 0.981 179 Y HN -0.172 nan 8.280 nan 0.000 0.507 180 V N 0.052 119.973 119.914 0.011 0.000 2.332 180 V HA -0.282 3.838 4.120 0.000 0.000 0.248 180 V C 2.281 178.268 176.094 -0.179 0.000 1.055 180 V CA 2.315 64.546 62.300 -0.115 0.000 1.038 180 V CB -0.558 31.178 31.823 -0.144 0.000 0.651 180 V HN 0.231 nan 8.190 nan 0.000 0.450 181 E N -0.201 119.755 120.200 -0.407 0.000 2.152 181 E HA -0.091 4.259 4.350 0.000 0.000 0.192 181 E C 2.075 178.319 176.600 -0.594 0.000 0.983 181 E CA 0.879 56.850 56.400 -0.715 0.000 0.818 181 E CB -0.159 28.560 29.700 -1.636 0.000 0.758 181 E HN 0.515 nan 8.360 nan 0.000 0.467 182 L N -0.536 120.416 121.223 -0.452 0.000 2.156 182 L HA -0.127 4.213 4.340 0.000 0.000 0.208 182 L C 2.271 179.161 176.870 0.033 0.000 1.095 182 L CA 1.261 55.998 54.840 -0.172 0.000 0.770 182 L CB -0.335 41.563 42.059 -0.268 0.000 0.914 182 L HN 0.305 nan 8.230 nan 0.000 0.439 183 H N 0.132 119.195 119.070 -0.012 0.000 2.357 183 H HA -0.162 4.394 4.556 0.000 0.000 0.301 183 H C 2.447 177.746 175.328 -0.049 0.000 1.082 183 H CA 1.681 57.734 56.048 0.009 0.000 1.342 183 H CB 0.129 29.867 29.762 -0.041 0.000 1.389 183 H HN 0.034 nan 8.280 nan 0.000 0.511 184 R N 0.326 120.774 120.500 -0.087 0.000 2.070 184 R HA -0.110 4.230 4.340 0.000 0.000 0.233 184 R C 2.219 178.407 176.300 -0.187 0.000 1.137 184 R CA 1.896 57.906 56.100 -0.151 0.000 0.945 184 R CB -0.031 30.192 30.300 -0.128 0.000 0.845 184 R HN 0.334 nan 8.270 nan 0.000 0.430 185 R N -1.566 118.826 120.500 -0.179 0.000 2.153 185 R HA 0.012 4.352 4.340 0.000 0.000 0.218 185 R C 0.839 176.852 176.300 -0.479 0.000 1.072 185 R CA 0.950 56.882 56.100 -0.279 0.000 0.990 185 R CB 0.174 30.348 30.300 -0.211 0.000 0.889 185 R HN 0.444 nan 8.270 nan 0.000 0.452 186 H N -1.806 117.213 119.070 -0.086 0.000 3.007 186 H HA 0.183 4.740 4.556 0.000 0.000 0.251 186 H C 0.549 175.837 175.328 -0.066 0.000 1.188 186 H CA 0.377 56.395 56.048 -0.052 0.000 1.017 186 H CB 1.449 31.203 29.762 -0.014 0.000 1.805 186 H HN 0.371 nan 8.280 nan 0.000 0.659 187 G N 1.931 110.680 108.800 -0.086 0.000 2.258 187 G HA2 -0.332 3.628 3.960 0.000 0.000 0.274 187 G HA3 -0.332 3.628 3.960 0.000 0.000 0.274 187 G C 0.596 175.494 174.900 -0.004 0.000 1.021 187 G CA 0.555 45.553 45.100 -0.170 0.000 0.798 187 G HN 0.543 nan 8.290 nan 0.000 0.507 188 C N 1.162 120.531 119.300 0.114 0.000 2.632 188 C HA 0.669 5.129 4.460 0.000 0.000 0.415 188 C C 1.846 177.099 174.990 0.438 0.000 1.332 188 C CA 1.019 60.188 59.018 0.252 0.000 1.874 188 C CB 0.095 27.988 27.740 0.254 0.000 2.596 188 C HN 0.931 nan 8.230 nan 0.000 0.590 189 T N 2.679 117.436 114.554 0.338 0.000 3.087 189 T HA 0.296 4.646 4.350 0.000 0.000 0.283 189 T C -0.386 174.512 174.700 0.330 0.000 0.956 189 T CA -0.208 62.098 62.100 0.342 0.000 0.894 189 T CB -0.015 69.017 68.868 0.273 0.000 1.160 189 T HN 0.578 nan 8.240 nan 0.000 0.532 190 L N 1.516 122.858 121.223 0.197 0.000 2.436 190 L HA 0.626 4.966 4.340 0.000 0.000 0.268 190 L C -1.317 175.433 176.870 -0.200 0.000 0.974 190 L CA -0.627 54.239 54.840 0.043 0.000 0.826 190 L CB 2.511 44.478 42.059 -0.152 0.000 1.291 190 L HN 0.215 nan 8.230 nan 0.000 0.406 191 Q N 4.450 124.017 119.800 -0.389 0.000 2.316 191 Q HA 0.683 5.023 4.340 0.000 0.000 0.264 191 Q C -1.123 174.577 176.000 -0.500 0.000 0.987 191 Q CA -0.782 54.543 55.803 -0.797 0.000 0.852 191 Q CB 1.895 29.861 28.738 -1.286 0.000 1.287 191 Q HN 0.754 nan 8.270 nan 0.000 0.448 192 I N -0.091 120.193 120.570 -0.477 0.000 2.648 192 I HA 0.990 5.160 4.170 0.000 0.000 0.304 192 I C -0.266 175.685 176.117 -0.276 0.000 1.009 192 I CA -0.522 60.608 61.300 -0.284 0.000 1.114 192 I CB 2.194 40.079 38.000 -0.192 0.000 1.293 192 I HN 0.622 nan 8.210 nan 0.000 0.449 193 G N 2.130 110.826 108.800 -0.173 0.000 2.600 193 G HA2 0.557 4.517 3.960 0.000 0.000 0.293 193 G HA3 0.557 4.517 3.960 0.000 0.000 0.293 193 G C -0.823 174.023 174.900 -0.089 0.000 1.408 193 G CA -0.515 44.492 45.100 -0.155 0.000 0.782 193 G HN 0.973 nan 8.290 nan 0.000 0.482 194 G N -0.780 107.974 108.800 -0.077 0.000 2.544 194 G HA2 0.556 4.516 3.960 0.000 0.000 0.242 194 G HA3 0.556 4.516 3.960 0.000 0.000 0.242 194 G C 1.375 176.274 174.900 -0.001 0.000 1.247 194 G CA 0.884 45.958 45.100 -0.043 0.000 0.840 194 G HN 1.524 nan 8.290 nan 0.000 0.578 195 A N 1.401 124.214 122.820 -0.011 0.000 1.948 195 A HA -0.171 4.149 4.320 0.000 0.000 0.220 195 A C 2.059 179.684 177.584 0.067 0.000 1.177 195 A CA 2.289 54.333 52.037 0.013 0.000 0.636 195 A CB -0.356 18.627 19.000 -0.029 0.000 0.815 195 A HN 0.730 nan 8.150 nan 0.000 0.449 196 D N -0.874 119.560 120.400 0.057 0.000 2.312 196 D HA -0.122 4.519 4.640 0.000 0.000 0.211 196 D C 1.184 177.546 176.300 0.103 0.000 0.964 196 D CA 0.774 54.822 54.000 0.079 0.000 0.877 196 D CB -0.457 40.380 40.800 0.061 0.000 0.924 196 D HN 0.422 nan 8.370 nan 0.000 0.515 197 Q N -0.597 119.255 119.800 0.086 0.000 2.322 197 Q HA 0.004 4.344 4.340 0.000 0.000 0.203 197 Q C 1.425 177.465 176.000 0.067 0.000 0.923 197 Q CA -0.268 55.567 55.803 0.054 0.000 0.949 197 Q CB -0.340 28.389 28.738 -0.016 0.000 1.039 197 Q HN 0.565 nan 8.270 nan 0.000 0.496 198 W N 1.549 122.828 121.300 -0.034 0.000 2.311 198 W HA -0.236 4.424 4.660 0.000 0.000 0.326 198 W C 1.668 178.174 176.519 -0.021 0.000 1.239 198 W CA 2.108 59.433 57.345 -0.034 0.000 1.258 198 W CB -0.700 28.746 29.460 -0.023 0.000 1.165 198 W HN 0.257 nan 8.180 nan 0.000 0.466 199 G N 1.276 110.066 108.800 -0.017 0.000 2.547 199 G HA2 -0.406 3.554 3.960 0.000 0.000 0.221 199 G HA3 -0.406 3.554 3.960 0.000 0.000 0.221 199 G C 1.423 176.201 174.900 -0.204 0.000 1.140 199 G CA 1.397 46.427 45.100 -0.117 0.000 0.760 199 G HN 0.334 nan 8.290 nan 0.000 0.583 200 N N 0.513 119.121 118.700 -0.153 0.000 2.104 200 N HA -0.086 4.654 4.740 0.000 0.000 0.190 200 N C 2.280 177.662 175.510 -0.212 0.000 1.024 200 N CA 1.316 54.260 53.050 -0.176 0.000 0.853 200 N CB -0.188 38.193 38.487 -0.177 0.000 1.008 200 N HN 0.412 nan 8.380 nan 0.000 0.424 201 I N 0.111 120.496 120.570 -0.308 0.000 2.277 201 I HA -0.149 4.021 4.170 0.000 0.000 0.243 201 I C 2.190 178.096 176.117 -0.351 0.000 1.094 201 I CA 0.454 61.560 61.300 -0.324 0.000 1.393 201 I CB -0.085 37.684 38.000 -0.386 0.000 1.078 201 I HN -0.033 nan 8.210 nan 0.000 0.417 202 I N 1.238 121.409 120.570 -0.664 0.000 2.394 202 I HA -0.219 3.952 4.170 0.000 0.000 0.251 202 I C 2.555 178.493 176.117 -0.298 0.000 1.136 202 I CA 1.273 62.213 61.300 -0.601 0.000 1.425 202 I CB -0.333 37.154 38.000 -0.854 0.000 1.079 202 I HN 0.145 nan 8.210 nan 0.000 0.425 203 A N 0.184 122.870 122.820 -0.222 0.000 1.917 203 A HA -0.180 4.140 4.320 0.000 0.000 0.219 203 A C 2.434 179.986 177.584 -0.053 0.000 1.182 203 A CA 1.898 53.890 52.037 -0.075 0.000 0.633 203 A CB -1.720 17.301 19.000 0.035 0.000 0.819 203 A HN 0.490 nan 8.150 nan 0.000 0.448 204 G N -0.894 107.897 108.800 -0.016 0.000 2.408 204 G HA2 -0.043 3.917 3.960 0.000 0.000 0.217 204 G HA3 -0.043 3.917 3.960 0.000 0.000 0.217 204 G C 1.480 176.289 174.900 -0.151 0.000 1.150 204 G CA 1.145 46.288 45.100 0.072 0.000 0.776 204 G HN 0.334 nan 8.290 nan 0.000 0.542 205 V N 0.586 120.387 119.914 -0.189 0.000 2.307 205 V HA -0.156 3.964 4.120 0.000 0.000 0.245 205 V C 2.910 178.802 176.094 -0.337 0.000 1.045 205 V CA 2.070 64.153 62.300 -0.362 0.000 1.024 205 V CB -0.500 31.172 31.823 -0.252 0.000 0.651 205 V HN 0.259 nan 8.190 nan 0.000 0.449 206 R N -0.543 119.799 120.500 -0.264 0.000 2.070 206 R HA -0.161 4.179 4.340 0.000 0.000 0.233 206 R C 2.231 178.345 176.300 -0.310 0.000 1.137 206 R CA 1.629 57.571 56.100 -0.263 0.000 0.945 206 R CB -0.730 29.422 30.300 -0.247 0.000 0.845 206 R HN 0.345 nan 8.270 nan 0.000 0.430 207 L N 0.507 121.542 121.223 -0.313 0.000 2.013 207 L HA -0.197 4.143 4.340 0.000 0.000 0.212 207 L C 2.076 178.740 176.870 -0.344 0.000 1.073 207 L CA 1.640 56.276 54.840 -0.341 0.000 0.753 207 L CB -0.486 41.462 42.059 -0.184 0.000 0.890 207 L HN -0.004 nan 8.230 nan 0.000 0.432 208 V N -0.351 119.351 119.914 -0.352 0.000 2.282 208 V HA -0.351 3.770 4.120 0.000 0.000 0.249 208 V C 2.784 178.664 176.094 -0.355 0.000 1.057 208 V CA 2.083 64.143 62.300 -0.400 0.000 1.032 208 V CB -0.690 30.763 31.823 -0.617 0.000 0.645 208 V HN 0.512 nan 8.190 nan 0.000 0.447 209 R N 0.140 120.437 120.500 -0.339 0.000 2.096 209 R HA -0.212 4.128 4.340 0.000 0.000 0.240 209 R C 2.281 178.446 176.300 -0.224 0.000 1.139 209 R CA 2.116 58.057 56.100 -0.264 0.000 0.952 209 R CB -0.501 29.658 30.300 -0.234 0.000 0.854 209 R HN 0.654 nan 8.270 nan 0.000 0.436 210 Q N -0.475 119.170 119.800 -0.258 0.000 1.994 210 Q HA -0.066 4.275 4.340 0.000 0.000 0.198 210 Q C 2.160 178.017 176.000 -0.240 0.000 0.976 210 Q CA 1.680 57.341 55.803 -0.236 0.000 0.828 210 Q CB -0.090 28.472 28.738 -0.292 0.000 0.894 210 Q HN 0.228 nan 8.270 nan 0.000 0.432 211 K N -0.241 119.949 120.400 -0.350 0.000 2.211 211 K HA -0.092 4.228 4.320 0.000 0.000 0.203 211 K C 0.983 177.495 176.600 -0.148 0.000 1.050 211 K CA 0.802 56.936 56.287 -0.254 0.000 0.945 211 K CB 0.304 32.637 32.500 -0.278 0.000 0.732 211 K HN 0.026 nan 8.250 nan 0.000 0.451 212 L N -1.962 119.165 121.223 -0.161 0.000 3.086 212 L HA 0.272 4.612 4.340 0.000 0.000 0.274 212 L C 1.057 177.864 176.870 -0.105 0.000 1.184 212 L CA 0.643 55.415 54.840 -0.112 0.000 1.002 212 L CB 1.062 43.058 42.059 -0.105 0.000 1.383 212 L HN 0.282 nan 8.230 nan 0.000 0.582 213 G N 0.040 108.763 108.800 -0.128 0.000 2.302 213 G HA2 -0.323 3.637 3.960 0.000 0.000 0.263 213 G HA3 -0.323 3.637 3.960 0.000 0.000 0.263 213 G C 0.708 175.530 174.900 -0.130 0.000 0.995 213 G CA 0.516 45.550 45.100 -0.110 0.000 0.622 213 G HN 0.676 nan 8.290 nan 0.000 0.538 214 A N -0.287 122.433 122.820 -0.166 0.000 2.332 214 A HA 0.698 5.018 4.320 0.000 0.000 0.258 214 A C 0.477 177.887 177.584 -0.290 0.000 1.087 214 A CA 1.041 52.960 52.037 -0.196 0.000 0.802 214 A CB 0.631 19.506 19.000 -0.208 0.000 1.042 214 A HN 0.654 nan 8.150 nan 0.000 0.489 215 T N 1.060 115.460 114.554 -0.256 0.000 2.771 215 T HA 0.543 4.893 4.350 0.000 0.000 0.281 215 T C -0.045 174.411 174.700 -0.406 0.000 0.982 215 T CA 0.050 61.966 62.100 -0.307 0.000 0.978 215 T CB 0.550 69.289 68.868 -0.216 0.000 0.930 215 T HN 1.276 nan 8.240 nan 0.000 0.447 216 V N 1.309 120.900 119.914 -0.539 0.000 3.156 216 V HA 0.728 4.848 4.120 0.000 0.000 0.310 216 V C -1.216 174.514 176.094 -0.607 0.000 1.234 216 V CA -1.028 60.952 62.300 -0.534 0.000 1.065 216 V CB 2.278 33.792 31.823 -0.515 0.000 1.088 216 V HN 0.858 nan 8.190 nan 0.000 0.451 217 H N 0.151 119.234 119.070 0.021 0.000 2.797 217 H HA 0.886 5.443 4.556 0.001 0.000 0.372 217 H C -0.376 174.999 175.328 0.079 0.000 1.168 217 H CA -0.075 55.999 56.048 0.042 0.000 1.163 217 H CB 2.271 32.050 29.762 0.028 0.000 1.778 217 H HN 1.165 nan 8.280 nan 0.000 0.551 218 A N 1.688 124.608 122.820 0.166 0.000 2.401 218 A HA 0.669 4.989 4.320 0.000 0.000 0.310 218 A C -1.307 176.377 177.584 0.166 0.000 1.075 218 A CA -0.720 51.355 52.037 0.063 0.000 0.746 218 A CB 1.726 20.645 19.000 -0.136 0.000 1.277 218 A HN 0.572 nan 8.150 nan 0.000 0.425 219 L N 1.889 123.176 121.223 0.108 0.000 2.639 219 L HA 0.566 4.906 4.340 0.000 0.000 0.264 219 L C -0.399 176.518 176.870 0.078 0.000 0.948 219 L CA -0.185 54.731 54.840 0.127 0.000 0.912 219 L CB 2.029 44.132 42.059 0.073 0.000 1.294 219 L HN 0.927 nan 8.230 nan 0.000 0.412 220 T N 1.537 116.164 114.554 0.121 0.000 2.902 220 T HA 0.723 5.073 4.350 0.000 0.000 0.283 220 T C -0.012 174.653 174.700 -0.059 0.000 1.009 220 T CA -0.559 61.569 62.100 0.045 0.000 1.051 220 T CB 1.821 70.764 68.868 0.125 0.000 0.999 220 T HN 0.530 nan 8.240 nan 0.000 0.474 221 V N -0.808 119.039 119.914 -0.111 0.000 2.630 221 V HA 0.772 4.893 4.120 0.000 0.000 0.305 221 V C -2.696 173.254 176.094 -0.241 0.000 1.046 221 V CA -3.023 59.140 62.300 -0.228 0.000 0.934 221 V CB 1.119 32.788 31.823 -0.257 0.000 1.003 221 V HN 0.827 nan 8.190 nan 0.000 0.451 222 P HA 0.238 nan 4.420 nan 0.000 0.272 222 P C -0.694 176.501 177.300 -0.175 0.000 1.223 222 P CA -0.356 62.590 63.100 -0.257 0.000 0.784 222 P CB 0.752 32.257 31.700 -0.325 0.000 0.923 223 L N 2.414 123.616 121.223 -0.035 0.000 2.426 223 L HA 0.074 4.414 4.340 0.000 0.000 0.271 223 L C 0.322 177.269 176.870 0.128 0.000 1.169 223 L CA -0.002 54.864 54.840 0.043 0.000 0.836 223 L CB 0.212 42.311 42.059 0.066 0.000 1.112 223 L HN 0.137 nan 8.230 nan 0.000 0.465 224 V N 2.425 122.438 119.914 0.165 0.000 2.432 224 V HA 0.538 4.658 4.120 0.000 0.000 0.271 224 V C 0.240 176.489 176.094 0.260 0.000 1.046 224 V CA -0.498 61.938 62.300 0.226 0.000 0.945 224 V CB 0.799 32.581 31.823 -0.068 0.000 0.992 224 V HN 0.931 nan 8.190 nan 0.000 0.471 225 T N 2.052 116.758 114.554 0.253 0.000 2.921 225 T HA 0.796 5.147 4.350 0.000 0.000 0.297 225 T C -0.201 174.626 174.700 0.212 0.000 1.013 225 T CA -0.370 61.868 62.100 0.229 0.000 0.990 225 T CB 1.720 70.680 68.868 0.153 0.000 1.023 225 T HN 0.923 nan 8.240 nan 0.000 0.447 226 A N 2.066 125.018 122.820 0.219 0.000 2.386 226 A HA 0.725 5.045 4.320 0.000 0.000 0.246 226 A C 1.858 179.465 177.584 0.038 0.000 1.089 226 A CA -0.088 52.031 52.037 0.136 0.000 0.790 226 A CB -0.512 18.557 19.000 0.116 0.000 1.042 226 A HN 1.579 nan 8.150 nan 0.000 0.497 227 A N 0.415 123.216 122.820 -0.032 0.000 1.940 227 A HA -0.170 4.150 4.320 0.000 0.000 0.219 227 A C 1.502 179.071 177.584 -0.024 0.000 1.176 227 A CA 2.150 54.161 52.037 -0.043 0.000 0.631 227 A CB -0.650 18.301 19.000 -0.082 0.000 0.814 227 A HN 0.940 nan 8.150 nan 0.000 0.446 228 D N -1.942 118.445 120.400 -0.022 0.000 2.363 228 D HA 0.233 4.874 4.640 0.000 0.000 0.226 228 D C 1.197 177.500 176.300 0.004 0.000 1.020 228 D CA 1.177 55.168 54.000 -0.015 0.000 0.892 228 D CB -0.524 40.261 40.800 -0.024 0.000 0.900 228 D HN 0.812 nan 8.370 nan 0.000 0.531 229 G N 0.008 108.820 108.800 0.020 0.000 2.241 229 G HA2 -0.284 3.677 3.960 0.000 0.000 0.244 229 G HA3 -0.284 3.677 3.960 0.000 0.000 0.244 229 G C 0.566 175.494 174.900 0.046 0.000 0.998 229 G CA 0.507 45.626 45.100 0.032 0.000 0.621 229 G HN 0.833 nan 8.290 nan 0.000 0.519 230 T N -0.672 113.909 114.554 0.046 0.000 2.898 230 T HA 0.502 4.852 4.350 0.000 0.000 0.301 230 T C 0.248 175.006 174.700 0.097 0.000 1.049 230 T CA 0.307 62.439 62.100 0.054 0.000 1.095 230 T CB 1.909 70.799 68.868 0.036 0.000 0.976 230 T HN 0.330 nan 8.240 nan 0.000 0.539 231 K N 1.980 122.432 120.400 0.088 0.000 2.234 231 K HA 0.239 4.559 4.320 0.000 0.000 0.282 231 K C -0.175 176.520 176.600 0.159 0.000 1.039 231 K CA -0.690 55.672 56.287 0.126 0.000 0.928 231 K CB 0.553 33.099 32.500 0.078 0.000 1.039 231 K HN 0.673 nan 8.250 nan 0.000 0.470 232 F N 1.783 121.785 119.950 0.087 0.000 2.589 232 F HA 0.127 4.654 4.527 0.000 0.000 0.352 232 F C 1.374 177.160 175.800 -0.024 0.000 1.168 232 F CA 1.989 60.041 58.000 0.087 0.000 1.353 232 F CB 0.385 39.435 39.000 0.084 0.000 1.116 232 F HN 0.879 nan 8.300 nan 0.000 0.608 233 G N 1.939 110.026 108.800 -1.189 0.000 2.162 233 G HA2 -0.265 3.695 3.960 0.000 0.000 0.260 233 G HA3 -0.265 3.695 3.960 0.000 0.000 0.260 233 G C 0.118 174.611 174.900 -0.678 0.000 0.976 233 G CA 0.307 44.697 45.100 -1.184 0.000 0.655 233 G HN 0.698 nan 8.290 nan 0.000 0.533 234 K N 0.561 120.730 120.400 -0.385 0.000 2.249 234 K HA 0.674 4.994 4.320 0.000 0.000 0.280 234 K C 1.118 177.620 176.600 -0.164 0.000 1.033 234 K CA 0.164 56.313 56.287 -0.230 0.000 0.946 234 K CB 1.412 33.852 32.500 -0.100 0.000 1.005 234 K HN 1.079 nan 8.250 nan 0.000 0.469 235 S N 1.158 116.763 115.700 -0.159 0.000 2.671 235 S HA 0.156 4.626 4.470 0.000 0.000 0.272 235 S C 1.569 176.170 174.600 0.001 0.000 1.174 235 S CA 0.024 58.185 58.200 -0.064 0.000 1.004 235 S CB 0.654 63.819 63.200 -0.058 0.000 1.077 235 S HN 0.592 nan 8.310 nan 0.000 0.553 236 T N 1.103 115.677 114.554 0.033 0.000 2.635 236 T HA -0.042 4.309 4.350 0.000 0.000 0.267 236 T C 1.746 176.462 174.700 0.028 0.000 1.040 236 T CA 1.917 64.039 62.100 0.037 0.000 1.156 236 T CB -1.282 67.620 68.868 0.057 0.000 0.863 236 T HN 0.897 nan 8.240 nan 0.000 0.430 237 G N -0.201 108.619 108.800 0.033 0.000 2.956 237 G HA2 0.347 4.308 3.960 0.000 0.000 0.207 237 G HA3 0.347 4.308 3.960 0.000 0.000 0.207 237 G C 1.104 176.012 174.900 0.013 0.000 1.162 237 G CA 0.385 45.503 45.100 0.030 0.000 0.796 237 G HN 0.892 nan 8.290 nan 0.000 0.527 238 G N -1.262 107.535 108.800 -0.006 0.000 2.153 238 G HA2 -0.044 3.916 3.960 0.000 0.000 0.252 238 G HA3 -0.044 3.916 3.960 0.000 0.000 0.252 238 G C 0.810 175.679 174.900 -0.052 0.000 0.994 238 G CA 0.427 45.511 45.100 -0.028 0.000 0.698 238 G HN 0.990 nan 8.290 nan 0.000 0.521 239 G N -0.603 108.167 108.800 -0.050 0.000 2.509 239 G HA2 0.617 4.577 3.960 0.000 0.000 0.269 239 G HA3 0.617 4.577 3.960 0.000 0.000 0.269 239 G C 0.305 175.063 174.900 -0.237 0.000 1.416 239 G CA 0.490 45.546 45.100 -0.074 0.000 1.052 239 G HN 0.783 nan 8.290 nan 0.000 0.542 240 S N -0.966 114.487 115.700 -0.412 0.000 2.617 240 S HA 0.394 4.864 4.470 0.000 0.000 0.283 240 S C -0.080 174.062 174.600 -0.763 0.000 1.189 240 S CA -0.460 57.237 58.200 -0.837 0.000 1.036 240 S CB 1.338 63.557 63.200 -1.635 0.000 1.014 240 S HN 0.336 nan 8.310 nan 0.000 0.522 241 L N 2.856 123.721 121.223 -0.597 0.000 2.334 241 L HA 0.261 4.601 4.340 0.000 0.000 0.286 241 L C -1.021 175.881 176.870 0.054 0.000 1.108 241 L CA -0.322 54.356 54.840 -0.270 0.000 0.875 241 L CB -0.011 41.743 42.059 -0.510 0.000 1.246 241 L HN 0.687 nan 8.230 nan 0.000 0.439 242 W N 4.107 125.591 121.300 0.306 0.000 2.272 242 W HA 0.185 4.845 4.660 0.000 0.000 0.318 242 W C 1.226 177.893 176.519 0.246 0.000 1.255 242 W CA -0.788 56.731 57.345 0.291 0.000 1.200 242 W CB 0.664 30.240 29.460 0.192 0.000 1.170 242 W HN 0.391 nan 8.180 nan 0.000 0.549 243 L N 1.416 122.856 121.223 0.362 0.000 2.131 243 L HA -0.134 4.206 4.340 0.000 0.000 0.210 243 L C 1.156 178.019 176.870 -0.012 0.000 1.092 243 L CA 1.086 55.888 54.840 -0.063 0.000 0.759 243 L CB -0.761 41.272 42.059 -0.043 0.000 0.903 243 L HN 0.458 nan 8.230 nan 0.000 0.435 244 D N 1.291 121.787 120.400 0.161 0.000 2.450 244 D HA -0.008 4.632 4.640 0.000 0.000 0.247 244 D C -1.446 174.967 176.300 0.189 0.000 1.162 244 D CA -1.513 52.556 54.000 0.114 0.000 0.879 244 D CB 1.683 42.523 40.800 0.067 0.000 1.163 244 D HN -0.010 nan 8.370 nan 0.000 0.472 245 P HA -0.154 nan 4.420 nan 0.000 0.217 245 P C 0.964 178.332 177.300 0.114 0.000 1.150 245 P CA 1.182 64.394 63.100 0.187 0.000 0.832 245 P CB 0.368 32.161 31.700 0.155 0.000 0.787 246 Q N -1.318 118.528 119.800 0.077 0.000 2.291 246 Q HA 0.000 4.341 4.340 0.000 0.000 0.205 246 Q C 2.304 178.338 176.000 0.057 0.000 0.970 246 Q CA 1.348 57.181 55.803 0.049 0.000 0.876 246 Q CB -0.453 28.294 28.738 0.014 0.000 0.935 246 Q HN 0.297 nan 8.270 nan 0.000 0.455 247 M N -1.394 118.254 119.600 0.081 0.000 2.556 247 M HA 0.062 4.542 4.480 0.000 0.000 0.264 247 M C -0.114 176.339 176.300 0.255 0.000 1.163 247 M CA 0.775 56.132 55.300 0.094 0.000 1.186 247 M CB 1.072 33.632 32.600 -0.066 0.000 1.321 247 M HN -0.169 nan 8.290 nan 0.000 0.485 248 T N 1.067 115.811 114.554 0.316 0.000 2.864 248 T HA 0.314 4.665 4.350 0.000 0.000 0.299 248 T C -0.229 174.627 174.700 0.260 0.000 1.011 248 T CA -0.759 61.543 62.100 0.337 0.000 0.975 248 T CB 1.260 70.403 68.868 0.459 0.000 0.962 248 T HN 0.285 nan 8.240 nan 0.000 0.448 249 S N 3.670 119.491 115.700 0.202 0.000 2.560 249 S HA 0.160 4.630 4.470 0.000 0.000 0.284 249 S C -1.650 173.000 174.600 0.083 0.000 1.327 249 S CA -0.901 57.374 58.200 0.125 0.000 1.055 249 S CB 0.575 63.864 63.200 0.149 0.000 0.868 249 S HN 0.279 nan 8.310 nan 0.000 0.506 250 P HA -0.208 nan 4.420 nan 0.000 0.218 250 P C 1.029 178.420 177.300 0.153 0.000 1.152 250 P CA 1.457 64.397 63.100 -0.266 0.000 0.857 250 P CB -0.154 31.366 31.700 -0.299 0.000 0.787 251 Y N 0.222 120.578 120.300 0.093 0.000 2.163 251 Y HA -0.153 4.397 4.550 0.000 0.000 0.288 251 Y C 2.441 178.492 175.900 0.251 0.000 1.136 251 Y CA 1.743 59.942 58.100 0.165 0.000 1.147 251 Y CB -1.003 37.511 38.460 0.092 0.000 0.987 251 Y HN -0.119 nan 8.280 nan 0.000 0.509 252 A N 0.669 123.674 122.820 0.309 0.000 1.940 252 A HA -0.259 4.061 4.320 0.000 0.000 0.219 252 A C 2.274 180.009 177.584 0.252 0.000 1.176 252 A CA 1.663 53.849 52.037 0.249 0.000 0.631 252 A CB -1.613 17.544 19.000 0.262 0.000 0.814 252 A HN 0.852 nan 8.150 nan 0.000 0.446 253 W N -0.767 120.620 121.300 0.145 0.000 2.380 253 W HA -0.242 4.418 4.660 0.000 0.000 0.317 253 W C 2.132 178.857 176.519 0.344 0.000 1.196 253 W CA 1.979 59.472 57.345 0.246 0.000 1.307 253 W CB -0.711 28.920 29.460 0.286 0.000 1.157 253 W HN 0.491 nan 8.180 nan 0.000 0.483 254 Y N 1.645 122.132 120.300 0.310 0.000 2.081 254 Y HA -0.393 4.157 4.550 0.000 0.000 0.280 254 Y C 3.034 178.941 175.900 0.012 0.000 1.163 254 Y CA 3.230 61.419 58.100 0.147 0.000 1.135 254 Y CB -1.086 37.388 38.460 0.023 0.000 0.970 254 Y HN 0.123 nan 8.280 nan 0.000 0.498 255 Q N -1.083 118.702 119.800 -0.026 0.000 2.096 255 Q HA -0.355 3.985 4.340 0.000 0.000 0.208 255 Q C 2.241 178.165 176.000 -0.127 0.000 0.993 255 Q CA 2.353 58.072 55.803 -0.140 0.000 0.862 255 Q CB -0.760 27.882 28.738 -0.159 0.000 0.915 255 Q HN 0.717 nan 8.270 nan 0.000 0.416 256 Y N -0.095 120.072 120.300 -0.223 0.000 2.081 256 Y HA -0.289 4.262 4.550 0.000 0.000 0.280 256 Y C 1.667 177.317 175.900 -0.417 0.000 1.163 256 Y CA 2.307 60.180 58.100 -0.379 0.000 1.135 256 Y CB -0.494 37.588 38.460 -0.631 0.000 0.970 256 Y HN 0.176 nan 8.280 nan 0.000 0.498 257 F N -1.827 118.038 119.950 -0.141 0.000 2.259 257 F HA -0.111 4.417 4.527 0.000 0.000 0.298 257 F C 2.461 178.114 175.800 -0.246 0.000 1.088 257 F CA 1.174 59.089 58.000 -0.142 0.000 1.358 257 F CB -0.807 38.114 39.000 -0.132 0.000 1.040 257 F HN -0.076 nan 8.300 nan 0.000 0.505 258 V N 0.406 120.198 119.914 -0.204 0.000 2.913 258 V HA -0.213 3.907 4.120 0.000 0.000 0.260 258 V C 0.841 176.801 176.094 -0.223 0.000 1.098 258 V CA 1.763 63.893 62.300 -0.283 0.000 1.121 258 V CB -0.711 30.843 31.823 -0.449 0.000 0.714 258 V HN 0.366 nan 8.190 nan 0.000 0.487 259 N N -0.709 117.840 118.700 -0.252 0.000 2.279 259 N HA 0.087 4.827 4.740 0.000 0.000 0.226 259 N C 0.060 175.401 175.510 -0.280 0.000 1.126 259 N CA -0.183 52.716 53.050 -0.253 0.000 0.846 259 N CB 0.355 38.691 38.487 -0.253 0.000 1.050 259 N HN 0.280 nan 8.380 nan 0.000 0.502 260 T N 1.535 115.945 114.554 -0.242 0.000 2.928 260 T HA 0.154 4.504 4.350 0.000 0.000 0.305 260 T C 0.759 175.336 174.700 -0.206 0.000 1.035 260 T CA -0.335 61.642 62.100 -0.205 0.000 1.145 260 T CB 0.760 69.580 68.868 -0.079 0.000 0.963 260 T HN 0.216 nan 8.240 nan 0.000 0.545 261 A N 2.931 125.616 122.820 -0.225 0.000 2.466 261 A HA 0.118 4.438 4.320 0.000 0.000 0.238 261 A C 1.472 178.935 177.584 -0.201 0.000 1.074 261 A CA -0.477 51.443 52.037 -0.194 0.000 0.774 261 A CB 0.129 19.021 19.000 -0.180 0.000 1.015 261 A HN 0.886 nan 8.150 nan 0.000 0.498 262 D N 1.283 121.590 120.400 -0.155 0.000 2.144 262 D HA -0.110 4.531 4.640 0.000 0.000 0.199 262 D C 2.246 178.450 176.300 -0.159 0.000 0.984 262 D CA 1.684 55.600 54.000 -0.139 0.000 0.834 262 D CB -0.328 40.409 40.800 -0.104 0.000 0.955 262 D HN 0.670 nan 8.370 nan 0.000 0.465 263 A N 1.293 124.016 122.820 -0.161 0.000 1.958 263 A HA -0.215 4.105 4.320 0.000 0.000 0.221 263 A C 1.627 179.067 177.584 -0.240 0.000 1.178 263 A CA 1.942 53.877 52.037 -0.169 0.000 0.642 263 A CB -0.193 18.719 19.000 -0.146 0.000 0.816 263 A HN 0.142 nan 8.150 nan 0.000 0.453 264 D N -1.573 118.616 120.400 -0.351 0.000 2.423 264 D HA 0.076 4.716 4.640 0.000 0.000 0.208 264 D C 1.743 177.673 176.300 -0.617 0.000 1.068 264 D CA 0.613 54.260 54.000 -0.588 0.000 0.860 264 D CB -0.068 40.161 40.800 -0.951 0.000 0.992 264 D HN 0.218 nan 8.370 nan 0.000 0.504 265 V N 1.468 121.154 119.914 -0.380 0.000 2.407 265 V HA -0.204 3.916 4.120 0.000 0.000 0.248 265 V C 2.009 178.050 176.094 -0.089 0.000 1.055 265 V CA 1.226 63.400 62.300 -0.211 0.000 1.049 265 V CB -0.199 31.550 31.823 -0.124 0.000 0.662 265 V HN 0.039 nan 8.190 nan 0.000 0.455 266 I N -0.245 120.255 120.570 -0.116 0.000 2.233 266 I HA -0.121 4.049 4.170 0.000 0.000 0.243 266 I C 2.603 178.660 176.117 -0.099 0.000 1.093 266 I CA 1.510 62.770 61.300 -0.066 0.000 1.380 266 I CB -1.610 36.351 38.000 -0.065 0.000 1.067 266 I HN 0.322 nan 8.210 nan 0.000 0.413 267 R N 0.214 120.579 120.500 -0.225 0.000 2.096 267 R HA -0.244 4.097 4.340 0.000 0.000 0.240 267 R C 2.472 178.518 176.300 -0.423 0.000 1.139 267 R CA 1.873 57.699 56.100 -0.457 0.000 0.952 267 R CB -0.398 29.530 30.300 -0.621 0.000 0.854 267 R HN 0.224 nan 8.270 nan 0.000 0.436 268 Y N 0.879 120.964 120.300 -0.358 0.000 2.128 268 Y HA -0.220 4.330 4.550 0.000 0.000 0.284 268 Y C 2.386 178.339 175.900 0.088 0.000 1.154 268 Y CA 1.028 59.089 58.100 -0.065 0.000 1.149 268 Y CB -0.894 37.694 38.460 0.214 0.000 0.976 268 Y HN 0.065 nan 8.280 nan 0.000 0.505 269 L N -0.043 121.321 121.223 0.234 0.000 1.989 269 L HA -0.269 4.071 4.340 0.000 0.000 0.211 269 L C 2.679 179.619 176.870 0.115 0.000 1.071 269 L CA 2.164 57.113 54.840 0.183 0.000 0.749 269 L CB -0.475 41.659 42.059 0.125 0.000 0.890 269 L HN 0.192 nan 8.230 nan 0.000 0.431 270 R N -1.551 118.978 120.500 0.049 0.000 2.235 270 R HA -0.177 4.163 4.340 0.000 0.000 0.213 270 R C 1.799 178.105 176.300 0.010 0.000 1.059 270 R CA 1.011 57.126 56.100 0.026 0.000 0.997 270 R CB -0.337 30.000 30.300 0.061 0.000 0.884 270 R HN 0.302 nan 8.270 nan 0.000 0.462 271 W N -0.221 120.880 121.300 -0.333 0.000 2.576 271 W HA 0.223 4.883 4.660 0.000 0.000 0.275 271 W C 1.140 177.312 176.519 -0.579 0.000 1.241 271 W CA 0.115 57.122 57.345 -0.564 0.000 1.328 271 W CB -0.196 28.771 29.460 -0.821 0.000 1.092 271 W HN 0.020 nan 8.180 nan 0.000 0.586 272 F N -0.561 119.458 119.950 0.116 0.000 2.717 272 F HA 0.152 4.680 4.527 0.000 0.000 0.295 272 F C 1.471 177.301 175.800 0.049 0.000 1.117 272 F CA 0.647 58.689 58.000 0.070 0.000 1.361 272 F CB -0.879 38.176 39.000 0.092 0.000 1.112 272 F HN -0.366 nan 8.300 nan 0.000 0.594 273 T N -3.897 110.752 114.554 0.158 0.000 2.841 273 T HA 0.407 4.758 4.350 0.000 0.000 0.276 273 T C -0.117 174.570 174.700 -0.023 0.000 1.003 273 T CA -0.345 61.866 62.100 0.186 0.000 0.995 273 T CB 1.159 70.153 68.868 0.209 0.000 1.260 273 T HN -0.119 nan 8.240 nan 0.000 0.581 274 F N 0.209 120.220 119.950 0.102 0.000 2.668 274 F HA 0.448 4.975 4.527 0.000 0.000 0.301 274 F C 0.351 176.231 175.800 0.134 0.000 1.106 274 F CA -0.837 57.224 58.000 0.102 0.000 1.289 274 F CB 0.041 39.087 39.000 0.077 0.000 1.006 274 F HN 0.226 nan 8.300 nan 0.000 0.535 275 L N 1.086 122.459 121.223 0.249 0.000 2.490 275 L HA 0.127 4.467 4.340 0.000 0.000 0.274 275 L C 1.058 178.087 176.870 0.266 0.000 1.201 275 L CA -0.309 54.659 54.840 0.215 0.000 0.869 275 L CB 0.257 42.418 42.059 0.170 0.000 1.123 275 L HN 0.215 nan 8.230 nan 0.000 0.484 276 S N 1.826 117.643 115.700 0.196 0.000 2.600 276 S HA 0.251 4.721 4.470 0.000 0.000 0.265 276 S C 1.181 175.804 174.600 0.037 0.000 1.325 276 S CA -0.232 58.051 58.200 0.139 0.000 1.002 276 S CB 1.483 64.706 63.200 0.038 0.000 0.921 276 S HN 0.703 nan 8.310 nan 0.000 0.554 277 A N 0.981 123.617 122.820 -0.308 0.000 1.986 277 A HA -0.145 4.176 4.320 0.000 0.000 0.220 277 A C 1.778 179.261 177.584 -0.169 0.000 1.171 277 A CA 1.868 53.651 52.037 -0.423 0.000 0.640 277 A CB -0.992 17.478 19.000 -0.884 0.000 0.811 277 A HN 0.874 nan 8.150 nan 0.000 0.451 278 D N -0.465 119.852 120.400 -0.139 0.000 2.097 278 D HA -0.097 4.543 4.640 0.000 0.000 0.197 278 D C 1.951 178.235 176.300 -0.026 0.000 0.984 278 D CA 1.347 55.301 54.000 -0.076 0.000 0.826 278 D CB -0.431 40.328 40.800 -0.067 0.000 0.973 278 D HN 0.635 nan 8.370 nan 0.000 0.460 279 E N 0.194 120.394 120.200 0.000 0.000 2.097 279 E HA -0.152 4.198 4.350 0.000 0.000 0.196 279 E C 2.280 178.903 176.600 0.039 0.000 1.000 279 E CA 0.611 57.029 56.400 0.031 0.000 0.804 279 E CB -0.081 29.655 29.700 0.060 0.000 0.740 279 E HN 0.259 nan 8.360 nan 0.000 0.454 280 L N 0.264 121.519 121.223 0.053 0.000 2.156 280 L HA -0.107 4.233 4.340 0.000 0.000 0.208 280 L C 2.511 179.398 176.870 0.027 0.000 1.095 280 L CA 0.685 55.563 54.840 0.063 0.000 0.770 280 L CB -0.389 41.745 42.059 0.124 0.000 0.914 280 L HN 0.128 nan 8.230 nan 0.000 0.439 281 A N 0.244 123.065 122.820 0.003 0.000 1.865 281 A HA -0.271 4.050 4.320 0.000 0.000 0.217 281 A C 2.209 179.789 177.584 -0.007 0.000 1.191 281 A CA 2.020 54.050 52.037 -0.011 0.000 0.623 281 A CB -0.546 18.436 19.000 -0.030 0.000 0.826 281 A HN 0.431 nan 8.150 nan 0.000 0.444 282 E N -0.672 119.526 120.200 -0.004 0.000 2.153 282 E HA -0.103 4.247 4.350 0.000 0.000 0.194 282 E C 1.929 178.530 176.600 0.001 0.000 0.988 282 E CA 0.911 57.310 56.400 -0.002 0.000 0.811 282 E CB -0.194 29.507 29.700 0.001 0.000 0.746 282 E HN 0.615 nan 8.360 nan 0.000 0.466 283 L N 0.405 121.633 121.223 0.008 0.000 2.156 283 L HA -0.138 4.202 4.340 0.000 0.000 0.208 283 L C 2.830 179.697 176.870 -0.004 0.000 1.095 283 L CA 1.338 56.182 54.840 0.007 0.000 0.770 283 L CB -0.437 41.634 42.059 0.020 0.000 0.914 283 L HN 0.200 nan 8.230 nan 0.000 0.439 284 E N -0.318 119.878 120.200 -0.005 0.000 2.085 284 E HA -0.279 4.071 4.350 0.000 0.000 0.194 284 E C 2.031 178.619 176.600 -0.020 0.000 0.994 284 E CA 1.393 57.784 56.400 -0.016 0.000 0.801 284 E CB -0.558 29.133 29.700 -0.014 0.000 0.743 284 E HN 0.453 nan 8.360 nan 0.000 0.453 285 Q N -0.618 119.173 119.800 -0.016 0.000 2.050 285 Q HA -0.050 4.290 4.340 0.000 0.000 0.202 285 Q C 2.650 178.640 176.000 -0.017 0.000 0.980 285 Q CA 1.620 57.413 55.803 -0.017 0.000 0.840 285 Q CB -0.672 28.057 28.738 -0.014 0.000 0.898 285 Q HN 0.621 nan 8.270 nan 0.000 0.424 286 A N 0.586 123.397 122.820 -0.015 0.000 1.903 286 A HA -0.217 4.103 4.320 0.000 0.000 0.219 286 A C 2.345 179.915 177.584 -0.023 0.000 1.191 286 A CA 2.377 54.404 52.037 -0.015 0.000 0.638 286 A CB -1.025 17.968 19.000 -0.011 0.000 0.823 286 A HN 0.438 nan 8.150 nan 0.000 0.451 287 T N -0.010 114.527 114.554 -0.028 0.000 2.867 287 T HA 0.086 4.437 4.350 0.000 0.000 0.268 287 T C 2.117 176.794 174.700 -0.038 0.000 1.057 287 T CA 1.365 63.442 62.100 -0.039 0.000 1.136 287 T CB -0.344 68.495 68.868 -0.048 0.000 0.874 287 T HN 0.619 nan 8.240 nan 0.000 0.466 288 A N 1.251 124.051 122.820 -0.033 0.000 1.854 288 A HA -0.050 4.271 4.320 0.000 0.000 0.214 288 A C 2.235 179.803 177.584 -0.027 0.000 1.192 288 A CA 1.175 53.193 52.037 -0.031 0.000 0.611 288 A CB -0.448 18.536 19.000 -0.027 0.000 0.832 288 A HN 0.459 nan 8.150 nan 0.000 0.442 289 Q N -1.449 118.337 119.800 -0.023 0.000 2.339 289 Q HA 0.143 4.483 4.340 0.000 0.000 0.205 289 Q C 0.274 176.262 176.000 -0.019 0.000 0.925 289 Q CA 0.507 56.298 55.803 -0.019 0.000 0.898 289 Q CB 0.403 29.132 28.738 -0.016 0.000 1.013 289 Q HN 0.527 nan 8.270 nan 0.000 0.504 290 R N 0.010 120.497 120.500 -0.022 0.000 2.718 290 R HA 0.162 4.502 4.340 0.000 0.000 0.307 290 R C -2.174 174.110 176.300 -0.028 0.000 1.244 290 R CA -0.912 55.175 56.100 -0.021 0.000 1.348 290 R CB 0.821 31.111 30.300 -0.017 0.000 1.304 290 R HN 0.059 nan 8.270 nan 0.000 0.663 291 P HA -0.186 nan 4.420 nan 0.000 0.218 291 P C 0.620 177.892 177.300 -0.046 0.000 1.149 291 P CA 1.245 64.320 63.100 -0.042 0.000 0.817 291 P CB 0.391 32.065 31.700 -0.043 0.000 0.785 292 Q N -0.748 119.029 119.800 -0.040 0.000 2.482 292 Q HA -0.044 4.296 4.340 0.000 0.000 0.209 292 Q C 2.136 178.110 176.000 -0.043 0.000 0.961 292 Q CA 0.521 56.298 55.803 -0.042 0.000 0.945 292 Q CB -0.179 28.540 28.738 -0.032 0.000 1.012 292 Q HN 0.347 nan 8.270 nan 0.000 0.515 293 Q N 0.365 120.142 119.800 -0.037 0.000 2.391 293 Q HA 0.055 4.396 4.340 0.000 0.000 0.211 293 Q C -0.221 175.758 176.000 -0.037 0.000 0.908 293 Q CA 0.048 55.833 55.803 -0.031 0.000 0.920 293 Q CB 0.663 29.389 28.738 -0.021 0.000 1.056 293 Q HN 0.119 nan 8.270 nan 0.000 0.523 294 R N -1.640 118.833 120.500 -0.045 0.000 3.651 294 R HA -0.258 4.082 4.340 0.000 0.000 0.292 294 R C 0.853 177.132 176.300 -0.034 0.000 1.161 294 R CA 0.417 56.485 56.100 -0.054 0.000 0.787 294 R CB -2.481 27.773 30.300 -0.077 0.000 1.249 294 R HN 0.353 nan 8.270 nan 0.000 0.476 295 A N 0.866 123.674 122.820 -0.021 0.000 1.917 295 A HA -0.105 4.215 4.320 0.000 0.000 0.219 295 A C 2.373 179.957 177.584 -0.001 0.000 1.182 295 A CA 2.197 54.230 52.037 -0.006 0.000 0.633 295 A CB -0.381 18.618 19.000 -0.002 0.000 0.819 295 A HN 0.636 nan 8.150 nan 0.000 0.448 296 A N -1.439 121.375 122.820 -0.010 0.000 1.898 296 A HA -0.114 4.207 4.320 0.000 0.000 0.216 296 A C 2.102 179.684 177.584 -0.002 0.000 1.181 296 A CA 1.835 53.871 52.037 -0.002 0.000 0.620 296 A CB -0.449 18.542 19.000 -0.015 0.000 0.819 296 A HN 0.517 nan 8.150 nan 0.000 0.442 297 Q N -0.333 119.449 119.800 -0.031 0.000 2.079 297 Q HA -0.038 4.302 4.340 0.000 0.000 0.200 297 Q C 2.257 178.213 176.000 -0.073 0.000 0.974 297 Q CA 1.554 57.326 55.803 -0.052 0.000 0.840 297 Q CB -0.207 28.474 28.738 -0.095 0.000 0.898 297 Q HN 0.619 nan 8.270 nan 0.000 0.430 298 R N -0.351 120.120 120.500 -0.049 0.000 2.115 298 R HA -0.058 4.283 4.340 0.000 0.000 0.230 298 R C 2.188 178.509 176.300 0.034 0.000 1.111 298 R CA 1.118 57.212 56.100 -0.010 0.000 0.976 298 R CB -0.072 30.259 30.300 0.052 0.000 0.870 298 R HN 0.030 nan 8.270 nan 0.000 0.445 299 R N 1.190 121.710 120.500 0.034 0.000 2.062 299 R HA -0.082 4.258 4.340 0.000 0.000 0.229 299 R C 2.110 178.443 176.300 0.055 0.000 1.128 299 R CA 1.014 57.148 56.100 0.058 0.000 0.960 299 R CB -0.716 29.618 30.300 0.056 0.000 0.855 299 R HN 0.118 nan 8.270 nan 0.000 0.432 300 L N 0.345 121.594 121.223 0.044 0.000 2.043 300 L HA -0.102 4.238 4.340 0.000 0.000 0.212 300 L C 2.106 178.948 176.870 -0.046 0.000 1.075 300 L CA 2.348 57.218 54.840 0.050 0.000 0.752 300 L CB -0.844 41.289 42.059 0.123 0.000 0.891 300 L HN 0.295 nan 8.230 nan 0.000 0.432 301 A N -1.048 121.715 122.820 -0.095 0.000 1.902 301 A HA -0.203 4.118 4.320 0.000 0.000 0.217 301 A C 2.464 180.070 177.584 0.036 0.000 1.181 301 A CA 2.079 53.971 52.037 -0.242 0.000 0.623 301 A CB -1.087 17.386 19.000 -0.878 0.000 0.818 301 A HN 0.664 nan 8.150 nan 0.000 0.443 302 S N -0.254 115.549 115.700 0.172 0.000 2.371 302 S HA -0.136 4.334 4.470 0.000 0.000 0.224 302 S C 1.686 176.378 174.600 0.153 0.000 1.029 302 S CA 1.177 59.533 58.200 0.258 0.000 0.978 302 S CB -0.436 62.895 63.200 0.219 0.000 0.833 302 S HN 0.565 nan 8.310 nan 0.000 0.466 303 E N 1.319 121.575 120.200 0.093 0.000 2.051 303 E HA -0.030 4.320 4.350 0.000 0.000 0.192 303 E C 2.115 178.747 176.600 0.054 0.000 0.991 303 E CA 0.850 57.297 56.400 0.078 0.000 0.799 303 E CB -0.319 29.437 29.700 0.093 0.000 0.748 303 E HN 0.400 nan 8.360 nan 0.000 0.449 304 L N 0.816 122.025 121.223 -0.024 0.000 2.156 304 L HA -0.065 4.275 4.340 0.000 0.000 0.208 304 L C 2.283 179.314 176.870 0.268 0.000 1.095 304 L CA 1.339 56.156 54.840 -0.039 0.000 0.770 304 L CB -1.284 40.384 42.059 -0.652 0.000 0.914 304 L HN 0.141 nan 8.230 nan 0.000 0.439 305 T N -0.677 114.067 114.554 0.317 0.000 2.851 305 T HA -0.072 4.278 4.350 0.000 0.000 0.262 305 T C 2.179 177.007 174.700 0.212 0.000 1.043 305 T CA 0.730 63.087 62.100 0.429 0.000 1.140 305 T CB -0.147 69.034 68.868 0.521 0.000 0.872 305 T HN 0.020 nan 8.240 nan 0.000 0.446 306 V N 1.880 121.880 119.914 0.144 0.000 2.255 306 V HA -0.145 3.975 4.120 0.000 0.000 0.247 306 V C 2.432 178.519 176.094 -0.012 0.000 1.051 306 V CA 1.440 63.780 62.300 0.066 0.000 1.018 306 V CB -0.742 31.113 31.823 0.053 0.000 0.641 306 V HN 0.410 nan 8.190 nan 0.000 0.445 307 L N -0.374 120.827 121.223 -0.037 0.000 1.997 307 L HA -0.260 4.081 4.340 0.000 0.000 0.216 307 L C 2.307 179.022 176.870 -0.259 0.000 1.074 307 L CA 2.163 56.908 54.840 -0.158 0.000 0.763 307 L CB -0.157 41.809 42.059 -0.155 0.000 0.890 307 L HN 0.210 nan 8.230 nan 0.000 0.434 308 V N -1.618 118.138 119.914 -0.263 0.000 2.426 308 V HA -0.198 3.922 4.120 0.000 0.000 0.242 308 V C 1.563 177.324 176.094 -0.554 0.000 1.036 308 V CA 1.667 63.671 62.300 -0.493 0.000 1.044 308 V CB -0.554 30.778 31.823 -0.818 0.000 0.688 308 V HN 0.529 nan 8.190 nan 0.000 0.462 309 H N -0.581 118.381 119.070 -0.180 0.000 2.755 309 H HA 0.529 5.085 4.556 0.000 0.000 0.273 309 H C 0.970 176.264 175.328 -0.058 0.000 1.055 309 H CA 0.523 56.502 56.048 -0.115 0.000 1.191 309 H CB 0.568 30.273 29.762 -0.095 0.000 1.536 309 H HN 0.521 nan 8.280 nan 0.000 0.529 310 G N 0.809 109.623 108.800 0.023 0.000 2.795 310 G HA2 -0.255 3.705 3.960 0.000 0.000 0.664 310 G HA3 -0.255 3.705 3.960 0.000 0.000 0.664 310 G C 0.491 175.418 174.900 0.045 0.000 1.381 310 G CA -0.079 45.032 45.100 0.017 0.000 0.853 310 G HN 0.379 nan 8.290 nan 0.000 0.545 311 E N 0.055 120.273 120.200 0.031 0.000 2.051 311 E HA 0.035 4.385 4.350 0.000 0.000 0.189 311 E C 3.043 179.669 176.600 0.044 0.000 0.979 311 E CA 1.168 57.592 56.400 0.041 0.000 0.803 311 E CB -0.170 29.547 29.700 0.029 0.000 0.761 311 E HN 0.832 nan 8.360 nan 0.000 0.451 312 A N 1.783 124.622 122.820 0.031 0.000 1.892 312 A HA -0.215 4.105 4.320 0.000 0.000 0.218 312 A C 2.406 180.008 177.584 0.030 0.000 1.188 312 A CA 2.070 54.122 52.037 0.025 0.000 0.631 312 A CB -0.728 18.280 19.000 0.013 0.000 0.822 312 A HN 0.301 nan 8.150 nan 0.000 0.447 313 A N -1.455 121.389 122.820 0.040 0.000 1.930 313 A HA -0.036 4.285 4.320 0.000 0.000 0.217 313 A C 2.289 179.902 177.584 0.048 0.000 1.175 313 A CA 2.179 54.241 52.037 0.042 0.000 0.627 313 A CB -1.144 17.891 19.000 0.060 0.000 0.815 313 A HN 0.440 nan 8.150 nan 0.000 0.443 314 T N 0.285 114.880 114.554 0.068 0.000 2.777 314 T HA 0.007 4.357 4.350 0.000 0.000 0.266 314 T C 2.244 176.963 174.700 0.032 0.000 1.040 314 T CA 1.444 63.584 62.100 0.068 0.000 1.141 314 T CB -0.429 68.505 68.868 0.110 0.000 0.868 314 T HN 0.587 nan 8.240 nan 0.000 0.444 315 A N 1.723 124.583 122.820 0.067 0.000 1.865 315 A HA 0.053 4.373 4.320 0.000 0.000 0.217 315 A C 2.679 180.380 177.584 0.195 0.000 1.191 315 A CA 2.068 54.184 52.037 0.132 0.000 0.623 315 A CB -1.310 17.757 19.000 0.113 0.000 0.826 315 A HN 0.508 nan 8.150 nan 0.000 0.444 316 A N -0.641 122.226 122.820 0.078 0.000 1.873 316 A HA -0.100 4.220 4.320 0.000 0.000 0.218 316 A C 2.264 179.894 177.584 0.077 0.000 1.193 316 A CA 2.133 54.200 52.037 0.050 0.000 0.629 316 A CB -1.171 17.836 19.000 0.012 0.000 0.826 316 A HN 0.491 nan 8.150 nan 0.000 0.447 317 V N 0.067 119.996 119.914 0.025 0.000 2.343 317 V HA -0.286 3.834 4.120 0.000 0.000 0.247 317 V C 2.448 178.431 176.094 -0.186 0.000 1.051 317 V CA 2.342 64.635 62.300 -0.011 0.000 1.036 317 V CB -0.881 30.884 31.823 -0.097 0.000 0.654 317 V HN 0.640 nan 8.190 nan 0.000 0.451 318 E N -0.660 119.362 120.200 -0.296 0.000 2.031 318 E HA -0.249 4.101 4.350 0.000 0.000 0.193 318 E C 2.176 178.718 176.600 -0.097 0.000 0.994 318 E CA 1.769 57.980 56.400 -0.314 0.000 0.800 318 E CB -0.244 29.334 29.700 -0.204 0.000 0.752 318 E HN 0.717 nan 8.360 nan 0.000 0.447 319 H N 0.303 119.350 119.070 -0.038 0.000 2.319 319 H HA -0.098 4.458 4.556 0.000 0.000 0.299 319 H C 2.031 177.375 175.328 0.027 0.000 1.092 319 H CA 1.638 57.689 56.048 0.006 0.000 1.302 319 H CB -0.285 29.478 29.762 0.002 0.000 1.373 319 H HN 0.216 nan 8.280 nan 0.000 0.497 320 A N -0.242 122.673 122.820 0.159 0.000 1.865 320 A HA -0.262 4.059 4.320 0.000 0.000 0.217 320 A C 2.537 180.228 177.584 0.177 0.000 1.191 320 A CA 2.143 54.240 52.037 0.099 0.000 0.623 320 A CB -1.173 17.856 19.000 0.049 0.000 0.826 320 A HN 0.433 nan 8.150 nan 0.000 0.444 321 S N -0.954 114.913 115.700 0.279 0.000 2.370 321 S HA -0.192 4.278 4.470 0.000 0.000 0.226 321 S C 2.206 177.038 174.600 0.386 0.000 1.033 321 S CA 1.643 60.097 58.200 0.424 0.000 1.011 321 S CB -0.307 63.077 63.200 0.307 0.000 0.852 321 S HN 0.607 nan 8.310 nan 0.000 0.457 322 R N 0.439 121.064 120.500 0.209 0.000 2.062 322 R HA 0.099 4.439 4.340 0.000 0.000 0.229 322 R C 2.725 179.122 176.300 0.162 0.000 1.128 322 R CA 1.109 57.313 56.100 0.173 0.000 0.960 322 R CB -0.641 29.693 30.300 0.057 0.000 0.855 322 R HN 0.464 nan 8.270 nan 0.000 0.432 323 A N 1.244 124.129 122.820 0.109 0.000 1.903 323 A HA -0.205 4.116 4.320 0.000 0.000 0.219 323 A C 1.977 179.567 177.584 0.011 0.000 1.191 323 A CA 1.505 53.575 52.037 0.056 0.000 0.638 323 A CB -0.579 18.443 19.000 0.037 0.000 0.823 323 A HN 0.143 nan 8.150 nan 0.000 0.451 324 L N -2.178 119.041 121.223 -0.007 0.000 2.353 324 L HA -0.012 4.328 4.340 0.000 0.000 0.220 324 L C 0.841 177.443 176.870 -0.446 0.000 1.133 324 L CA 1.355 56.060 54.840 -0.225 0.000 0.798 324 L CB -0.586 41.309 42.059 -0.272 0.000 0.922 324 L HN 0.416 nan 8.230 nan 0.000 0.445 325 F N -1.121 118.845 119.950 0.027 0.000 2.855 325 F HA 0.416 4.943 4.527 0.000 0.000 0.317 325 F C 1.611 177.416 175.800 0.007 0.000 1.169 325 F CA 0.067 58.079 58.000 0.020 0.000 1.299 325 F CB -0.066 38.956 39.000 0.037 0.000 0.962 325 F HN 0.037 nan 8.300 nan 0.000 0.506 326 G N 0.619 109.466 108.800 0.078 0.000 2.166 326 G HA2 -0.332 3.628 3.960 0.000 0.000 0.260 326 G HA3 -0.332 3.628 3.960 0.000 0.000 0.260 326 G C 1.334 176.273 174.900 0.065 0.000 0.986 326 G CA 0.122 45.252 45.100 0.050 0.000 0.683 326 G HN 0.316 nan 8.290 nan 0.000 0.527 327 R N 0.119 120.675 120.500 0.093 0.000 2.359 327 R HA 0.380 4.720 4.340 0.000 0.000 0.231 327 R C 1.263 177.594 176.300 0.052 0.000 0.913 327 R CA 0.941 57.084 56.100 0.071 0.000 1.075 327 R CB 0.489 30.840 30.300 0.085 0.000 1.087 327 R HN 0.675 nan 8.270 nan 0.000 0.515 328 G N 0.885 109.716 108.800 0.050 0.000 2.827 328 G HA2 0.143 4.103 3.960 0.000 0.000 0.202 328 G HA3 0.143 4.103 3.960 0.000 0.000 0.202 328 G C -0.845 174.077 174.900 0.037 0.000 1.185 328 G CA -0.276 44.852 45.100 0.047 0.000 0.920 328 G HN 0.072 nan 8.290 nan 0.000 0.550 329 E N 0.776 121.001 120.200 0.042 0.000 3.254 329 E HA 0.077 4.427 4.350 0.000 0.000 0.184 329 E C 1.614 178.224 176.600 0.016 0.000 0.967 329 E CA -0.182 56.237 56.400 0.033 0.000 1.311 329 E CB -0.390 29.343 29.700 0.054 0.000 1.071 329 E HN 0.646 nan 8.360 nan 0.000 0.456 330 L N -1.530 119.693 121.223 -0.000 0.000 2.369 330 L HA -0.064 4.276 4.340 0.000 0.000 0.220 330 L C 2.152 178.999 176.870 -0.038 0.000 1.119 330 L CA 2.088 56.916 54.840 -0.021 0.000 0.780 330 L CB -1.174 40.854 42.059 -0.052 0.000 0.906 330 L HN 0.111 nan 8.230 nan 0.000 0.442 331 A N 0.632 123.431 122.820 -0.035 0.000 1.978 331 A HA -0.163 4.157 4.320 0.000 0.000 0.220 331 A C 2.402 179.969 177.584 -0.029 0.000 1.170 331 A CA 1.767 53.773 52.037 -0.052 0.000 0.636 331 A CB -0.518 18.464 19.000 -0.030 0.000 0.810 331 A HN 0.627 nan 8.150 nan 0.000 0.448 332 R N -0.787 119.715 120.500 0.003 0.000 2.310 332 R HA 0.239 4.579 4.340 0.000 0.000 0.202 332 R C -0.425 175.892 176.300 0.028 0.000 0.933 332 R CA -0.152 55.960 56.100 0.020 0.000 1.054 332 R CB -0.253 30.058 30.300 0.019 0.000 0.985 332 R HN 0.408 nan 8.270 nan 0.000 0.489 333 L N 2.992 124.236 121.223 0.035 0.000 2.331 333 L HA 0.091 4.432 4.340 0.000 0.000 0.278 333 L C 0.322 177.287 176.870 0.158 0.000 1.106 333 L CA -0.630 54.239 54.840 0.049 0.000 0.824 333 L CB 0.504 42.571 42.059 0.013 0.000 1.142 333 L HN 0.111 nan 8.230 nan 0.000 0.443 334 D N 2.149 122.612 120.400 0.104 0.000 2.304 334 D HA 0.117 4.757 4.640 0.000 0.000 0.247 334 D C 0.954 177.273 176.300 0.032 0.000 1.089 334 D CA 0.148 54.205 54.000 0.094 0.000 0.910 334 D CB 1.206 42.003 40.800 -0.005 0.000 1.199 334 D HN 0.626 nan 8.370 nan 0.000 0.426 335 E N 1.999 122.083 120.200 -0.194 0.000 2.108 335 E HA -0.245 4.106 4.350 0.000 0.000 0.203 335 E C 2.081 178.673 176.600 -0.014 0.000 1.022 335 E CA 2.670 59.006 56.400 -0.107 0.000 0.823 335 E CB -1.037 28.493 29.700 -0.282 0.000 0.744 335 E HN 0.743 nan 8.360 nan 0.000 0.456 336 A N 0.411 123.207 122.820 -0.040 0.000 1.892 336 A HA -0.168 4.153 4.320 0.000 0.000 0.218 336 A C 2.727 180.285 177.584 -0.044 0.000 1.188 336 A CA 2.888 54.912 52.037 -0.021 0.000 0.631 336 A CB -1.082 17.905 19.000 -0.021 0.000 0.822 336 A HN 0.517 nan 8.150 nan 0.000 0.447 337 T N 0.003 114.527 114.554 -0.051 0.000 2.643 337 T HA -0.141 4.210 4.350 0.000 0.000 0.264 337 T C 1.865 176.463 174.700 -0.170 0.000 1.045 337 T CA 1.503 63.557 62.100 -0.076 0.000 1.155 337 T CB -0.492 68.349 68.868 -0.044 0.000 0.863 337 T HN 0.297 nan 8.240 nan 0.000 0.420 338 L N 1.604 122.721 121.223 -0.178 0.000 2.042 338 L HA 0.021 4.362 4.340 0.000 0.000 0.210 338 L C 2.622 179.153 176.870 -0.564 0.000 1.076 338 L CA 1.943 56.580 54.840 -0.338 0.000 0.749 338 L CB -1.256 40.643 42.059 -0.266 0.000 0.893 338 L HN 0.252 nan 8.230 nan 0.000 0.432 339 A N -0.350 122.209 122.820 -0.435 0.000 1.851 339 A HA -0.180 4.141 4.320 0.000 0.000 0.216 339 A C 2.495 179.905 177.584 -0.289 0.000 1.195 339 A CA 2.404 54.206 52.037 -0.392 0.000 0.622 339 A CB -1.427 17.607 19.000 0.056 0.000 0.831 339 A HN 0.604 nan 8.150 nan 0.000 0.444 340 A N -0.176 122.539 122.820 -0.176 0.000 1.884 340 A HA 0.008 4.329 4.320 0.000 0.000 0.219 340 A C 2.573 180.009 177.584 -0.246 0.000 1.197 340 A CA 2.897 54.861 52.037 -0.122 0.000 0.637 340 A CB -1.297 17.669 19.000 -0.056 0.000 0.827 340 A HN 1.275 nan 8.150 nan 0.000 0.450 341 A N -0.974 121.547 122.820 -0.498 0.000 1.892 341 A HA -0.089 4.232 4.320 0.000 0.000 0.218 341 A C 2.028 179.275 177.584 -0.563 0.000 1.188 341 A CA 1.929 53.376 52.037 -0.982 0.000 0.631 341 A CB -0.589 17.802 19.000 -1.016 0.000 0.822 341 A HN 0.426 nan 8.150 nan 0.000 0.447 342 L N 0.409 121.337 121.223 -0.492 0.000 2.141 342 L HA -0.114 4.226 4.340 0.000 0.000 0.209 342 L C 2.945 179.718 176.870 -0.162 0.000 1.094 342 L CA 1.974 56.585 54.840 -0.381 0.000 0.763 342 L CB -1.049 40.582 42.059 -0.713 0.000 0.908 342 L HN 0.639 nan 8.230 nan 0.000 0.437 343 R N -1.436 118.993 120.500 -0.118 0.000 2.316 343 R HA 0.027 4.368 4.340 0.000 0.000 0.202 343 R C 1.462 177.798 176.300 0.061 0.000 1.029 343 R CA 0.676 56.790 56.100 0.024 0.000 1.018 343 R CB -1.046 29.288 30.300 0.057 0.000 0.888 343 R HN 0.442 nan 8.270 nan 0.000 0.471 344 E N 1.315 121.555 120.200 0.066 0.000 2.230 344 E HA 0.032 4.382 4.350 0.000 0.000 0.192 344 E C 1.005 177.676 176.600 0.118 0.000 0.987 344 E CA 1.350 57.833 56.400 0.139 0.000 0.841 344 E CB -0.026 29.833 29.700 0.265 0.000 0.783 344 E HN 0.802 nan 8.360 nan 0.000 0.481 345 T N -0.288 114.314 114.554 0.081 0.000 2.847 345 T HA 0.282 4.632 4.350 0.000 0.000 0.279 345 T C 0.616 175.355 174.700 0.065 0.000 0.984 345 T CA -0.628 61.514 62.100 0.070 0.000 0.988 345 T CB 1.255 70.146 68.868 0.038 0.000 1.040 345 T HN 0.021 nan 8.240 nan 0.000 0.528 346 T N -0.390 114.201 114.554 0.061 0.000 2.930 346 T HA 0.480 4.830 4.350 0.000 0.000 0.306 346 T C -0.256 174.489 174.700 0.075 0.000 1.045 346 T CA -0.760 61.379 62.100 0.064 0.000 1.134 346 T CB 0.243 69.143 68.868 0.053 0.000 0.961 346 T HN 0.613 nan 8.240 nan 0.000 0.545 347 V N 2.291 122.262 119.914 0.095 0.000 2.524 347 V HA 0.636 4.756 4.120 0.000 0.000 0.297 347 V C 0.324 176.484 176.094 0.110 0.000 1.035 347 V CA -1.244 61.135 62.300 0.132 0.000 0.867 347 V CB 1.370 33.320 31.823 0.212 0.000 1.004 347 V HN 1.299 nan 8.190 nan 0.000 0.426 348 A N 4.250 127.130 122.820 0.100 0.000 2.347 348 A HA 0.528 4.848 4.320 0.000 0.000 0.287 348 A C 0.449 178.078 177.584 0.076 0.000 1.199 348 A CA -0.362 51.721 52.037 0.077 0.000 0.851 348 A CB -0.020 19.021 19.000 0.070 0.000 1.118 348 A HN 0.907 nan 8.150 nan 0.000 0.525 349 E N 3.577 123.807 120.200 0.049 0.000 1.936 349 E HA 0.324 4.674 4.350 0.000 0.000 0.267 349 E C -0.558 176.048 176.600 0.010 0.000 1.076 349 E CA -0.421 55.990 56.400 0.017 0.000 0.870 349 E CB 0.632 30.332 29.700 0.000 0.000 1.093 349 E HN 0.648 nan 8.360 nan 0.000 0.411 350 L N 3.998 125.235 121.223 0.023 0.000 2.367 350 L HA 0.158 4.498 4.340 0.000 0.000 0.275 350 L C -0.062 176.800 176.870 -0.014 0.000 1.129 350 L CA -0.294 54.565 54.840 0.031 0.000 0.839 350 L CB 0.361 42.476 42.059 0.093 0.000 1.133 350 L HN 0.448 nan 8.230 nan 0.000 0.453 351 K N 4.129 124.522 120.400 -0.011 0.000 2.331 351 K HA 0.686 5.006 4.320 0.000 0.000 0.238 351 K C -2.870 173.715 176.600 -0.026 0.000 1.058 351 K CA -2.160 54.108 56.287 -0.033 0.000 0.871 351 K CB 0.110 32.594 32.500 -0.026 0.000 1.292 351 K HN 0.259 nan 8.250 nan 0.000 0.470 352 P HA 0.070 nan 4.420 nan 0.000 0.266 352 P C 0.447 177.740 177.300 -0.011 0.000 1.193 352 P CA 1.493 64.578 63.100 -0.025 0.000 0.770 352 P CB 0.089 31.771 31.700 -0.030 0.000 0.836 353 G N 2.064 110.861 108.800 -0.006 0.000 2.525 353 G HA2 -0.150 3.811 3.960 0.000 0.000 0.248 353 G HA3 -0.150 3.811 3.960 0.000 0.000 0.248 353 G C 0.601 175.509 174.900 0.014 0.000 1.238 353 G CA 0.341 45.444 45.100 0.003 0.000 0.926 353 G HN 0.601 nan 8.290 nan 0.000 0.574 354 S N -1.271 114.442 115.700 0.023 0.000 3.916 354 S HA 0.317 4.788 4.470 0.000 0.000 0.231 354 S C -0.301 174.316 174.600 0.028 0.000 1.161 354 S CA 1.211 59.423 58.200 0.020 0.000 0.938 354 S CB -0.586 62.623 63.200 0.015 0.000 1.170 354 S HN 0.735 nan 8.310 nan 0.000 0.508 355 P HA 0.171 nan 4.420 nan 0.000 0.198 355 P C -0.081 177.253 177.300 0.057 0.000 1.043 355 P CA 1.722 64.852 63.100 0.049 0.000 0.892 355 P CB -0.434 31.302 31.700 0.058 0.000 0.701 356 D N -2.701 117.746 120.400 0.078 0.000 2.945 356 D HA -0.084 4.557 4.640 0.000 0.000 0.225 356 D C -0.137 176.213 176.300 0.083 0.000 1.158 356 D CA 1.249 55.298 54.000 0.082 0.000 0.805 356 D CB -1.468 39.360 40.800 0.047 0.000 1.098 356 D HN 0.485 nan 8.370 nan 0.000 0.426 357 G N -0.870 108.001 108.800 0.119 0.000 2.753 357 G HA2 0.437 4.397 3.960 0.000 0.000 0.297 357 G HA3 0.437 4.397 3.960 0.000 0.000 0.297 357 G C 0.590 175.602 174.900 0.187 0.000 1.430 357 G CA -0.303 44.887 45.100 0.150 0.000 1.040 357 G HN 0.206 nan 8.290 nan 0.000 0.530 358 I N 2.739 123.479 120.570 0.284 0.000 2.185 358 I HA -0.208 3.962 4.170 0.000 0.000 0.246 358 I C 2.461 178.606 176.117 0.046 0.000 1.088 358 I CA 1.880 63.271 61.300 0.152 0.000 1.347 358 I CB -0.030 38.016 38.000 0.077 0.000 1.041 358 I HN 0.290 nan 8.210 nan 0.000 0.415 359 V N 1.080 121.023 119.914 0.048 0.000 2.295 359 V HA -0.284 3.837 4.120 0.000 0.000 0.246 359 V C 2.282 178.390 176.094 0.024 0.000 1.049 359 V CA 2.238 64.547 62.300 0.015 0.000 1.024 359 V CB -1.101 30.733 31.823 0.018 0.000 0.648 359 V HN 0.420 nan 8.190 nan 0.000 0.447 360 D N 0.313 120.739 120.400 0.045 0.000 2.078 360 D HA -0.144 4.496 4.640 0.000 0.000 0.193 360 D C 2.151 178.477 176.300 0.044 0.000 0.990 360 D CA 1.109 55.136 54.000 0.043 0.000 0.827 360 D CB -0.300 40.532 40.800 0.053 0.000 0.975 360 D HN 0.219 nan 8.370 nan 0.000 0.451 361 L N 1.016 122.275 121.223 0.059 0.000 2.043 361 L HA -0.163 4.177 4.340 0.000 0.000 0.212 361 L C 2.626 179.512 176.870 0.027 0.000 1.075 361 L CA 1.096 55.969 54.840 0.056 0.000 0.752 361 L CB -1.148 40.957 42.059 0.076 0.000 0.891 361 L HN 0.090 nan 8.230 nan 0.000 0.432 362 L N -1.799 119.427 121.223 0.006 0.000 2.046 362 L HA -0.227 4.113 4.340 0.000 0.000 0.208 362 L C 2.405 179.276 176.870 0.001 0.000 1.077 362 L CA 0.842 55.675 54.840 -0.012 0.000 0.747 362 L CB -0.440 41.601 42.059 -0.031 0.000 0.896 362 L HN 0.095 nan 8.230 nan 0.000 0.432 363 V N -0.362 119.557 119.914 0.009 0.000 2.379 363 V HA -0.214 3.906 4.120 0.000 0.000 0.245 363 V C 2.682 178.788 176.094 0.020 0.000 1.044 363 V CA 1.583 63.891 62.300 0.013 0.000 1.036 363 V CB -0.782 31.049 31.823 0.014 0.000 0.664 363 V HN 0.458 nan 8.190 nan 0.000 0.453 364 A N 0.985 123.821 122.820 0.026 0.000 1.877 364 A HA -0.211 4.109 4.320 0.000 0.000 0.216 364 A C 2.457 180.063 177.584 0.036 0.000 1.186 364 A CA 2.285 54.342 52.037 0.033 0.000 0.620 364 A CB -0.826 18.199 19.000 0.040 0.000 0.822 364 A HN 0.687 nan 8.150 nan 0.000 0.443 365 S N -1.428 114.294 115.700 0.036 0.000 2.603 365 S HA 0.319 4.789 4.470 0.000 0.000 0.229 365 S C 1.407 176.026 174.600 0.030 0.000 0.972 365 S CA 1.119 59.342 58.200 0.039 0.000 0.935 365 S CB -0.645 62.576 63.200 0.035 0.000 0.769 365 S HN 2.032 nan 8.310 nan 0.000 0.536 366 G N 0.742 109.556 108.800 0.024 0.000 2.143 366 G HA2 -0.240 3.720 3.960 0.000 0.000 0.248 366 G HA3 -0.240 3.720 3.960 0.000 0.000 0.248 366 G C 0.418 175.327 174.900 0.014 0.000 0.991 366 G CA 0.485 45.598 45.100 0.021 0.000 0.689 366 G HN 0.521 nan 8.290 nan 0.000 0.522 367 L N -0.477 120.750 121.223 0.007 0.000 2.162 367 L HA 0.210 4.550 4.340 0.000 0.000 0.205 367 L C 1.369 178.236 176.870 -0.004 0.000 1.086 367 L CA 1.247 56.086 54.840 -0.002 0.000 0.778 367 L CB 0.051 42.100 42.059 -0.017 0.000 0.928 367 L HN 0.282 nan 8.230 nan 0.000 0.446 368 S N -1.444 114.253 115.700 -0.005 0.000 2.472 368 S HA 0.510 4.980 4.470 0.000 0.000 0.303 368 S C 0.687 175.288 174.600 0.003 0.000 1.099 368 S CA -0.199 57.998 58.200 -0.005 0.000 1.077 368 S CB 2.100 65.293 63.200 -0.012 0.000 1.031 368 S HN 0.243 nan 8.310 nan 0.000 0.487 369 A N 3.214 126.037 122.820 0.004 0.000 1.832 369 A HA 0.101 4.422 4.320 0.000 0.000 0.214 369 A C 0.990 178.579 177.584 0.008 0.000 1.200 369 A CA 0.874 52.915 52.037 0.008 0.000 0.610 369 A CB -0.655 18.349 19.000 0.008 0.000 0.842 369 A HN 0.703 nan 8.150 nan 0.000 0.444 370 S N -0.851 114.853 115.700 0.007 0.000 2.654 370 S HA 0.414 4.884 4.470 0.000 0.000 0.283 370 S C 0.397 175.001 174.600 0.007 0.000 1.180 370 S CA -0.607 57.599 58.200 0.009 0.000 1.021 370 S CB 1.610 64.816 63.200 0.010 0.000 1.018 370 S HN 0.373 nan 8.310 nan 0.000 0.532 371 K N 1.080 121.486 120.400 0.010 0.000 2.209 371 K HA -0.052 4.268 4.320 0.000 0.000 0.204 371 K C 2.156 178.761 176.600 0.009 0.000 1.048 371 K CA 1.062 57.354 56.287 0.009 0.000 0.940 371 K CB -0.532 31.976 32.500 0.014 0.000 0.729 371 K HN 0.788 nan 8.250 nan 0.000 0.451 372 G N 1.225 110.033 108.800 0.013 0.000 2.421 372 G HA2 -0.267 3.694 3.960 0.000 0.000 0.216 372 G HA3 -0.267 3.694 3.960 0.000 0.000 0.216 372 G C 1.619 176.527 174.900 0.012 0.000 1.171 372 G CA 0.892 46.002 45.100 0.017 0.000 0.775 372 G HN 0.343 nan 8.290 nan 0.000 0.543 373 A N 1.218 124.042 122.820 0.006 0.000 1.902 373 A HA 0.235 4.555 4.320 0.000 0.000 0.217 373 A C 2.827 180.404 177.584 -0.013 0.000 1.181 373 A CA 2.320 54.358 52.037 0.001 0.000 0.623 373 A CB -0.849 18.152 19.000 0.001 0.000 0.818 373 A HN 0.795 nan 8.150 nan 0.000 0.443 374 A N -0.017 122.791 122.820 -0.020 0.000 1.851 374 A HA -0.219 4.101 4.320 0.000 0.000 0.216 374 A C 2.230 179.768 177.584 -0.078 0.000 1.195 374 A CA 1.750 53.761 52.037 -0.043 0.000 0.622 374 A CB -0.593 18.387 19.000 -0.034 0.000 0.831 374 A HN 0.557 nan 8.150 nan 0.000 0.444 375 R N -1.082 119.377 120.500 -0.068 0.000 2.113 375 R HA -0.190 4.151 4.340 0.000 0.000 0.244 375 R C 2.591 178.816 176.300 -0.124 0.000 1.142 375 R CA 1.739 57.764 56.100 -0.125 0.000 0.953 375 R CB -0.439 29.860 30.300 -0.002 0.000 0.860 375 R HN 0.547 nan 8.270 nan 0.000 0.438 376 R N 0.569 121.066 120.500 -0.005 0.000 2.103 376 R HA -0.164 4.176 4.340 0.000 0.000 0.234 376 R C 2.283 178.588 176.300 0.008 0.000 1.132 376 R CA 2.604 58.730 56.100 0.044 0.000 0.925 376 R CB -0.694 29.627 30.300 0.035 0.000 0.842 376 R HN 0.404 nan 8.270 nan 0.000 0.430 377 T N 0.010 114.549 114.554 -0.024 0.000 2.720 377 T HA -0.157 4.193 4.350 0.000 0.000 0.268 377 T C 2.160 176.823 174.700 -0.062 0.000 1.037 377 T CA 1.596 63.677 62.100 -0.031 0.000 1.144 377 T CB -0.547 68.300 68.868 -0.035 0.000 0.864 377 T HN 0.263 nan 8.240 nan 0.000 0.444 378 I N 1.171 121.662 120.570 -0.132 0.000 2.145 378 I HA -0.255 3.915 4.170 0.000 0.000 0.244 378 I C 2.677 178.710 176.117 -0.141 0.000 1.075 378 I CA 1.686 62.869 61.300 -0.194 0.000 1.332 378 I CB -0.448 37.358 38.000 -0.323 0.000 1.033 378 I HN 0.331 nan 8.210 nan 0.000 0.410 379 H N 0.489 119.553 119.070 -0.009 0.000 2.555 379 H HA 0.005 4.561 4.556 0.000 0.000 0.269 379 H C 1.240 176.564 175.328 -0.006 0.000 0.988 379 H CA 0.698 56.743 56.048 -0.004 0.000 1.178 379 H CB -0.152 29.611 29.762 0.001 0.000 1.373 379 H HN 0.518 nan 8.280 nan 0.000 0.588 380 E N -0.281 119.968 120.200 0.082 0.000 2.444 380 E HA 0.157 4.507 4.350 0.000 0.000 0.191 380 E C 1.253 177.864 176.600 0.019 0.000 1.041 380 E CA 0.193 56.619 56.400 0.044 0.000 0.883 380 E CB 0.514 30.230 29.700 0.027 0.000 1.024 380 E HN 0.452 nan 8.360 nan 0.000 0.470 381 G N 1.081 109.888 108.800 0.013 0.000 2.205 381 G HA2 -0.361 3.599 3.960 0.000 0.000 0.269 381 G HA3 -0.361 3.599 3.960 0.000 0.000 0.269 381 G C 0.981 175.865 174.900 -0.028 0.000 0.977 381 G CA 0.303 45.398 45.100 -0.009 0.000 0.652 381 G HN 0.515 nan 8.290 nan 0.000 0.539 382 G N -0.998 107.784 108.800 -0.029 0.000 2.744 382 G HA2 0.354 4.314 3.960 0.000 0.000 0.211 382 G HA3 0.354 4.314 3.960 0.000 0.000 0.211 382 G C 0.611 175.478 174.900 -0.055 0.000 1.143 382 G CA 0.945 46.026 45.100 -0.033 0.000 0.788 382 G HN 0.873 nan 8.290 nan 0.000 0.534 383 V N 1.078 120.942 119.914 -0.083 0.000 2.472 383 V HA 0.598 4.718 4.120 0.000 0.000 0.290 383 V C -0.347 175.655 176.094 -0.154 0.000 1.037 383 V CA -0.572 61.655 62.300 -0.122 0.000 0.908 383 V CB 1.632 33.364 31.823 -0.152 0.000 0.985 383 V HN 0.198 nan 8.190 nan 0.000 0.454 384 S N 2.897 118.493 115.700 -0.173 0.000 2.548 384 S HA 0.663 5.134 4.470 0.000 0.000 0.276 384 S C -0.834 173.612 174.600 -0.256 0.000 1.129 384 S CA -0.724 57.355 58.200 -0.201 0.000 0.931 384 S CB 1.854 64.974 63.200 -0.133 0.000 1.068 384 S HN 0.383 nan 8.310 nan 0.000 0.480 385 V N 3.253 122.956 119.914 -0.352 0.000 2.394 385 V HA 0.417 4.537 4.120 0.000 0.000 0.282 385 V C 0.093 176.064 176.094 -0.206 0.000 1.031 385 V CA -0.785 61.307 62.300 -0.346 0.000 0.881 385 V CB 0.688 32.139 31.823 -0.619 0.000 0.982 385 V HN 1.003 nan 8.190 nan 0.000 0.451 386 N N 4.673 123.285 118.700 -0.146 0.000 2.721 386 N HA -0.212 4.529 4.740 0.000 0.000 0.249 386 N C 0.689 176.151 175.510 -0.080 0.000 1.072 386 N CA 1.078 54.072 53.050 -0.094 0.000 0.710 386 N CB -1.068 37.381 38.487 -0.063 0.000 0.993 386 N HN 0.883 nan 8.380 nan 0.000 0.547 387 N N -2.252 116.392 118.700 -0.094 0.000 2.936 387 N HA -0.216 4.525 4.740 0.000 0.000 0.236 387 N C -0.327 175.147 175.510 -0.060 0.000 0.930 387 N CA 1.383 54.392 53.050 -0.068 0.000 0.966 387 N CB -1.101 37.360 38.487 -0.043 0.000 1.090 387 N HN 0.622 nan 8.380 nan 0.000 0.592 388 I N 1.217 121.742 120.570 -0.076 0.000 2.359 388 I HA 0.224 4.394 4.170 0.000 0.000 0.294 388 I C 1.153 177.206 176.117 -0.107 0.000 0.987 388 I CA -0.620 60.642 61.300 -0.063 0.000 1.225 388 I CB 1.637 39.617 38.000 -0.033 0.000 1.366 388 I HN -0.044 nan 8.210 nan 0.000 0.466 389 R N 4.455 124.907 120.500 -0.081 0.000 2.641 389 R HA 0.447 4.787 4.340 0.000 0.000 0.269 389 R C -1.196 175.026 176.300 -0.131 0.000 1.074 389 R CA -0.295 55.744 56.100 -0.101 0.000 1.133 389 R CB 0.955 31.220 30.300 -0.058 0.000 1.029 389 R HN 0.450 nan 8.270 nan 0.000 0.488 390 V N 4.879 124.686 119.914 -0.178 0.000 2.326 390 V HA 0.109 4.229 4.120 0.000 0.000 0.281 390 V C -0.013 176.025 176.094 -0.093 0.000 1.015 390 V CA -0.498 61.679 62.300 -0.206 0.000 0.823 390 V CB 1.392 32.957 31.823 -0.430 0.000 1.009 390 V HN 0.904 nan 8.190 nan 0.000 0.436 391 D N 2.203 122.596 120.400 -0.011 0.000 2.149 391 D HA -0.056 4.585 4.640 0.000 0.000 0.206 391 D C 1.004 177.346 176.300 0.069 0.000 0.967 391 D CA 0.645 54.667 54.000 0.038 0.000 0.848 391 D CB 0.193 41.028 40.800 0.059 0.000 0.998 391 D HN 0.567 nan 8.370 nan 0.000 0.474 392 N N 1.724 120.483 118.700 0.097 0.000 2.475 392 N HA -0.072 4.668 4.740 0.000 0.000 0.267 392 N C 0.823 176.400 175.510 0.112 0.000 1.169 392 N CA 0.088 53.218 53.050 0.133 0.000 0.947 392 N CB 1.647 40.239 38.487 0.176 0.000 1.061 392 N HN 0.029 nan 8.380 nan 0.000 0.466 393 E N 2.382 122.641 120.200 0.097 0.000 2.204 393 E HA -0.200 4.150 4.350 0.000 0.000 0.194 393 E C 0.618 177.269 176.600 0.084 0.000 0.989 393 E CA 1.046 57.466 56.400 0.033 0.000 0.824 393 E CB 0.238 29.982 29.700 0.073 0.000 0.756 393 E HN 0.578 nan 8.360 nan 0.000 0.477 394 E N -0.425 119.845 120.200 0.117 0.000 2.463 394 E HA 0.026 4.376 4.350 0.000 0.000 0.193 394 E C -0.948 175.737 176.600 0.142 0.000 1.041 394 E CA -0.436 56.028 56.400 0.106 0.000 0.879 394 E CB -0.436 29.304 29.700 0.068 0.000 0.997 394 E HN 0.273 nan 8.360 nan 0.000 0.478 395 W N 0.466 121.759 121.300 -0.011 0.000 2.571 395 W HA -0.006 4.654 4.660 0.000 0.000 0.334 395 W C -0.412 176.097 176.519 -0.016 0.000 1.141 395 W CA 0.675 58.010 57.345 -0.016 0.000 1.299 395 W CB 0.394 29.837 29.460 -0.028 0.000 1.154 395 W HN -0.152 nan 8.180 nan 0.000 0.563 396 V N 9.059 128.585 119.914 -0.646 0.000 2.735 396 V HA 0.459 4.579 4.120 0.000 0.000 0.310 396 V C -1.734 173.563 176.094 -1.329 0.000 1.061 396 V CA -2.403 59.532 62.300 -0.610 0.000 0.913 396 V CB 2.288 33.920 31.823 -0.319 0.000 1.005 396 V HN 0.444 nan 8.190 nan 0.000 0.428 397 P HA 0.148 nan 4.420 nan 0.000 0.276 397 P C -0.654 176.444 177.300 -0.336 0.000 1.264 397 P CA 0.051 62.755 63.100 -0.660 0.000 0.769 397 P CB 0.657 32.283 31.700 -0.123 0.000 0.840 398 Q N 2.108 121.706 119.800 -0.336 0.000 2.492 398 Q HA 0.037 4.377 4.340 0.000 0.000 0.238 398 Q C 1.495 177.530 176.000 0.059 0.000 1.045 398 Q CA -0.052 55.675 55.803 -0.126 0.000 0.934 398 Q CB 0.631 29.301 28.738 -0.113 0.000 1.276 398 Q HN 0.399 nan 8.270 nan 0.000 0.521 399 S N 0.406 116.164 115.700 0.097 0.000 2.368 399 S HA -0.151 4.319 4.470 0.000 0.000 0.225 399 S C 1.646 176.379 174.600 0.222 0.000 1.030 399 S CA 1.781 60.092 58.200 0.185 0.000 0.999 399 S CB -0.256 62.990 63.200 0.077 0.000 0.844 399 S HN 0.746 nan 8.310 nan 0.000 0.459 400 S N 0.403 116.172 115.700 0.115 0.000 2.555 400 S HA -0.004 4.466 4.470 0.000 0.000 0.230 400 S C 1.194 175.849 174.600 0.092 0.000 0.978 400 S CA 0.747 59.004 58.200 0.095 0.000 0.934 400 S CB -0.388 62.843 63.200 0.051 0.000 0.766 400 S HN 0.450 nan 8.310 nan 0.000 0.533 401 D N 1.253 121.693 120.400 0.068 0.000 2.178 401 D HA 0.100 4.740 4.640 0.000 0.000 0.202 401 D C -0.070 176.198 176.300 -0.055 0.000 0.974 401 D CA 0.403 54.390 54.000 -0.022 0.000 0.841 401 D CB -0.360 40.383 40.800 -0.094 0.000 0.953 401 D HN 0.443 nan 8.370 nan 0.000 0.478 402 F N 1.332 121.319 119.950 0.063 0.000 2.543 402 F HA 0.024 4.551 4.527 0.000 0.000 0.375 402 F C 0.661 176.492 175.800 0.052 0.000 1.075 402 F CA -0.640 57.400 58.000 0.066 0.000 1.225 402 F CB 0.312 39.332 39.000 0.033 0.000 1.099 402 F HN -0.228 nan 8.300 nan 0.000 0.561 403 L N 5.594 126.948 121.223 0.218 0.000 2.410 403 L HA 0.089 4.429 4.340 0.000 0.000 0.273 403 L C 0.724 177.700 176.870 0.176 0.000 1.144 403 L CA -0.236 54.644 54.840 0.066 0.000 0.863 403 L CB -0.788 41.276 42.059 0.008 0.000 1.140 403 L HN 0.641 nan 8.230 nan 0.000 0.463 404 H N 2.340 121.526 119.070 0.194 0.000 2.776 404 H HA -0.218 4.338 4.556 0.000 0.000 0.300 404 H C 1.521 176.913 175.328 0.108 0.000 1.161 404 H CA 0.932 57.073 56.048 0.156 0.000 1.147 404 H CB -1.448 28.434 29.762 0.201 0.000 1.366 404 H HN 0.997 nan 8.280 nan 0.000 0.397 405 G N -0.684 108.228 108.800 0.186 0.000 2.196 405 G HA2 -0.434 3.527 3.960 0.000 0.000 0.268 405 G HA3 -0.434 3.527 3.960 0.000 0.000 0.268 405 G C 1.349 176.206 174.900 -0.072 0.000 0.975 405 G CA 1.094 46.233 45.100 0.065 0.000 0.648 405 G HN 0.580 nan 8.290 nan 0.000 0.538 406 R N -2.063 118.431 120.500 -0.011 0.000 2.310 406 R HA 0.282 4.622 4.340 0.000 0.000 0.199 406 R C 0.104 176.245 176.300 -0.264 0.000 0.891 406 R CA 0.147 56.043 56.100 -0.340 0.000 1.060 406 R CB 0.505 30.419 30.300 -0.643 0.000 1.188 406 R HN 0.395 nan 8.270 nan 0.000 0.607 407 W N 1.102 122.597 121.300 0.324 0.000 2.702 407 W HA 0.528 5.188 4.660 0.000 0.000 0.331 407 W C -0.879 175.728 176.519 0.146 0.000 1.049 407 W CA -0.660 56.822 57.345 0.228 0.000 1.230 407 W CB 1.274 30.799 29.460 0.108 0.000 1.408 407 W HN -0.210 nan 8.180 nan 0.000 0.492 408 L N 3.044 124.463 121.223 0.326 0.000 2.342 408 L HA 0.735 5.076 4.340 0.000 0.000 0.271 408 L C -0.577 176.346 176.870 0.088 0.000 1.008 408 L CA -1.470 53.413 54.840 0.073 0.000 0.818 408 L CB 1.757 43.775 42.059 -0.069 0.000 1.296 408 L HN 0.052 nan 8.230 nan 0.000 0.427 409 V N 3.906 123.810 119.914 -0.016 0.000 2.326 409 V HA 0.387 4.507 4.120 0.000 0.000 0.281 409 V C 0.082 176.109 176.094 -0.112 0.000 1.015 409 V CA -0.423 61.837 62.300 -0.067 0.000 0.823 409 V CB 1.448 33.205 31.823 -0.110 0.000 1.009 409 V HN 0.494 nan 8.190 nan 0.000 0.436 410 L N 4.821 125.982 121.223 -0.102 0.000 2.357 410 L HA 0.729 5.069 4.340 0.000 0.000 0.273 410 L C 0.117 176.909 176.870 -0.131 0.000 1.080 410 L CA -0.504 54.259 54.840 -0.128 0.000 0.803 410 L CB 1.303 43.304 42.059 -0.097 0.000 1.174 410 L HN 0.612 nan 8.230 nan 0.000 0.443 411 R N 1.888 122.310 120.500 -0.131 0.000 2.584 411 R HA 0.438 4.778 4.340 0.000 0.000 0.276 411 R C -1.307 174.946 176.300 -0.078 0.000 1.046 411 R CA -0.725 55.309 56.100 -0.109 0.000 0.906 411 R CB 2.009 32.236 30.300 -0.122 0.000 1.215 411 R HN 0.624 nan 8.270 nan 0.000 0.449 412 R N 2.576 123.049 120.500 -0.044 0.000 2.532 412 R HA 0.496 4.836 4.340 0.000 0.000 0.295 412 R C 0.142 176.443 176.300 0.001 0.000 0.968 412 R CA 0.649 56.732 56.100 -0.028 0.000 0.916 412 R CB 1.575 31.862 30.300 -0.022 0.000 1.124 412 R HN 0.903 nan 8.270 nan 0.000 0.463 413 G N 1.754 110.553 108.800 -0.001 0.000 2.614 413 G HA2 -0.441 3.520 3.960 0.000 0.000 0.303 413 G HA3 -0.441 3.520 3.960 0.000 0.000 0.303 413 G C 0.259 175.182 174.900 0.038 0.000 1.270 413 G CA 0.693 45.803 45.100 0.016 0.000 0.988 413 G HN 0.705 nan 8.290 nan 0.000 0.551 414 K N -0.702 119.738 120.400 0.066 0.000 2.438 414 K HA 0.772 5.092 4.320 0.000 0.000 0.205 414 K C 1.966 178.698 176.600 0.220 0.000 1.033 414 K CA 1.514 57.871 56.287 0.116 0.000 1.089 414 K CB 0.325 32.870 32.500 0.075 0.000 0.857 414 K HN 1.764 nan 8.250 nan 0.000 0.522 415 R N -0.063 120.560 120.500 0.204 0.000 2.470 415 R HA 0.325 4.666 4.340 0.000 0.000 0.210 415 R C 0.913 177.416 176.300 0.339 0.000 0.873 415 R CA 0.998 57.240 56.100 0.238 0.000 1.015 415 R CB -0.210 30.140 30.300 0.083 0.000 1.348 415 R HN 0.358 nan 8.270 nan 0.000 0.650 416 S N 1.196 117.010 115.700 0.189 0.000 2.456 416 S HA 0.738 5.208 4.470 0.000 0.000 0.316 416 S C -0.163 174.456 174.600 0.031 0.000 1.089 416 S CA -0.552 57.721 58.200 0.120 0.000 1.101 416 S CB 0.750 63.986 63.200 0.060 0.000 0.995 416 S HN 0.666 nan 8.310 nan 0.000 0.468 417 I N -0.588 119.974 120.570 -0.013 0.000 2.828 417 I HA 1.013 5.183 4.170 0.000 0.000 0.302 417 I C -0.741 175.339 176.117 -0.061 0.000 1.101 417 I CA -1.316 59.914 61.300 -0.117 0.000 1.031 417 I CB 1.956 39.758 38.000 -0.330 0.000 1.231 417 I HN 0.687 nan 8.210 nan 0.000 0.427 418 A N 2.955 125.738 122.820 -0.061 0.000 2.556 418 A HA 0.920 5.240 4.320 0.000 0.000 0.294 418 A C -0.457 177.121 177.584 -0.010 0.000 1.091 418 A CA -0.330 51.696 52.037 -0.018 0.000 0.704 418 A CB 1.431 20.433 19.000 0.003 0.000 1.300 418 A HN 1.133 nan 8.150 nan 0.000 0.406 419 G N -0.983 107.844 108.800 0.044 0.000 2.552 419 G HA2 0.613 4.573 3.960 0.000 0.000 0.324 419 G HA3 0.613 4.573 3.960 0.000 0.000 0.324 419 G C -1.318 173.688 174.900 0.177 0.000 1.217 419 G CA -0.649 44.523 45.100 0.121 0.000 0.989 419 G HN 1.239 nan 8.290 nan 0.000 0.490 420 V N 0.244 120.315 119.914 0.263 0.000 2.567 420 V HA 0.361 4.482 4.120 0.000 0.000 0.298 420 V C -0.607 175.629 176.094 0.236 0.000 1.047 420 V CA -0.731 61.701 62.300 0.219 0.000 0.880 420 V CB 1.563 33.489 31.823 0.172 0.000 1.009 420 V HN 0.862 nan 8.190 nan 0.000 0.429 421 E N 4.490 124.735 120.200 0.074 0.000 2.109 421 E HA 0.397 4.747 4.350 0.000 0.000 0.278 421 E C -0.027 176.475 176.600 -0.164 0.000 0.954 421 E CA -0.742 55.516 56.400 -0.237 0.000 0.779 421 E CB 1.105 30.573 29.700 -0.387 0.000 1.093 421 E HN 0.596 nan 8.360 nan 0.000 0.401 422 R N 4.863 125.228 120.500 -0.226 0.000 2.537 422 R HA 0.168 4.509 4.340 0.000 0.000 0.280 422 R C -0.437 175.704 176.300 -0.266 0.000 1.058 422 R CA 0.130 56.056 56.100 -0.290 0.000 1.057 422 R CB 0.412 30.341 30.300 -0.618 0.000 0.973 422 R HN 0.524 nan 8.270 nan 0.000 0.438 423 I N 1.692 122.147 120.570 -0.192 0.000 2.969 423 I HA 0.460 4.630 4.170 0.000 0.000 0.307 423 I C 0.482 176.525 176.117 -0.123 0.000 1.149 423 I CA -0.513 60.700 61.300 -0.145 0.000 1.008 423 I CB 1.980 39.920 38.000 -0.099 0.000 1.232 423 I HN 0.812 nan 8.210 nan 0.000 0.435 424 G N 0.000 108.740 108.800 -0.101 0.000 5.446 424 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 424 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 424 G CA 0.000 45.052 45.100 -0.081 0.000 0.502 424 G HN 0.000 nan 8.290 nan 0.000 0.925