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 3hl9_1_B DATA FIRST_RESID 10 DATA SEQUENCE AADPVVLMET AFRKAVKSRQ IPGAVIMARD ASGNLNYTRC FGARTVRRDE DATA SEQUENCE NNQLPPLQVD TPCRLASATK LLTTIMALQC MERGLVDLDE TVDRLLPDLS DATA SEQUENCE AMPVLEGFDD AGNARLRERR GKITLRHLLT HTSGLSYVFL HPLLREYMAQ DATA SEQUENCE GHLQSAEKFG IQSRLAPPAV NDPGAEWIYG ANLDWAGKLV ERATGLDLEQ DATA SEQUENCE YLQENICAPL GITDMTFKLQ QRPDMLARRA DQTHRNSADG RLRYDXXXXX DATA SEQUENCE XXXXXXCFGG QGVFSGPGSY MKVLHSLLKR DGLLLQPQTV DLMFQPALEP DATA SEQUENCE RLEEQMNQHM DASPHINYGG PMPMVLRRSF GLGGIIALED LDGENWRRKG DATA SEQUENCE SLTFGGGPNI VWQIDPKAGL CTLAFFQLEP WNDPVCRDLT RTFEHAIYAQ DATA SEQUENCE YQQG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.619 177.584 0.058 0.000 1.274 10 A CA 0.000 52.085 52.037 0.080 0.000 0.836 10 A CB 0.000 19.067 19.000 0.112 0.000 0.831 11 A N 0.982 123.831 122.820 0.048 0.000 2.425 11 A HA 0.466 4.778 4.320 -0.014 0.000 0.242 11 A C 0.826 178.432 177.584 0.036 0.000 1.077 11 A CA 0.641 52.697 52.037 0.032 0.000 0.781 11 A CB -0.138 18.873 19.000 0.019 0.000 1.020 11 A HN 0.838 nan 8.150 nan 0.000 0.494 12 D N 1.173 121.590 120.400 0.028 0.000 2.126 12 D HA -0.137 4.495 4.640 -0.014 0.000 0.190 12 D C -0.713 175.606 176.300 0.031 0.000 1.001 12 D CA 2.435 56.452 54.000 0.027 0.000 0.841 12 D CB -1.459 39.353 40.800 0.019 0.000 0.949 12 D HN 0.451 nan 8.370 nan 0.000 0.446 13 P HA -0.044 nan 4.420 nan 0.000 0.217 13 P C 1.637 178.964 177.300 0.045 0.000 1.151 13 P CA 0.577 63.694 63.100 0.028 0.000 0.828 13 P CB 0.125 31.838 31.700 0.021 0.000 0.788 14 V N 0.004 119.943 119.914 0.041 0.000 2.548 14 V HA -0.150 3.962 4.120 -0.014 0.000 0.249 14 V C 2.523 178.688 176.094 0.117 0.000 1.055 14 V CA 1.838 64.174 62.300 0.059 0.000 1.065 14 V CB -1.202 30.629 31.823 0.013 0.000 0.681 14 V HN 0.046 nan 8.190 nan 0.000 0.462 15 V N -2.183 117.790 119.914 0.098 0.000 2.488 15 V HA -0.097 4.015 4.120 -0.014 0.000 0.246 15 V C 2.173 178.326 176.094 0.099 0.000 1.046 15 V CA 1.341 63.705 62.300 0.107 0.000 1.053 15 V CB -0.760 31.112 31.823 0.082 0.000 0.679 15 V HN 0.403 nan 8.190 nan 0.000 0.458 16 L N -0.589 120.680 121.223 0.076 0.000 2.046 16 L HA -0.156 4.176 4.340 -0.014 0.000 0.208 16 L C 2.870 179.792 176.870 0.087 0.000 1.077 16 L CA 2.449 57.327 54.840 0.062 0.000 0.747 16 L CB -0.579 41.503 42.059 0.038 0.000 0.896 16 L HN 0.368 nan 8.230 nan 0.000 0.432 17 M N 0.231 119.903 119.600 0.120 0.000 2.065 17 M HA -0.256 4.216 4.480 -0.014 0.000 0.259 17 M C 2.085 178.533 176.300 0.247 0.000 1.069 17 M CA 2.012 57.432 55.300 0.199 0.000 1.110 17 M CB -0.360 32.376 32.600 0.226 0.000 1.328 17 M HN 0.250 nan 8.290 nan 0.000 0.405 18 E N -0.426 119.900 120.200 0.211 0.000 2.085 18 E HA -0.205 4.137 4.350 -0.014 0.000 0.194 18 E C 1.805 178.466 176.600 0.100 0.000 0.994 18 E CA 2.170 58.691 56.400 0.202 0.000 0.801 18 E CB -0.185 29.702 29.700 0.311 0.000 0.743 18 E HN 0.731 nan 8.360 nan 0.000 0.453 19 T N -1.284 113.333 114.554 0.106 0.000 2.942 19 T HA 0.075 4.416 4.350 -0.014 0.000 0.265 19 T C 2.053 176.769 174.700 0.026 0.000 1.062 19 T CA 0.752 62.892 62.100 0.067 0.000 1.139 19 T CB -0.057 68.850 68.868 0.064 0.000 0.883 19 T HN 0.140 nan 8.240 nan 0.000 0.468 20 A N 0.747 123.590 122.820 0.039 0.000 1.972 20 A HA 0.124 4.436 4.320 -0.014 0.000 0.219 20 A C 1.950 179.484 177.584 -0.084 0.000 1.169 20 A CA 1.038 53.068 52.037 -0.011 0.000 0.635 20 A CB -1.088 17.913 19.000 0.002 0.000 0.810 20 A HN 0.480 nan 8.150 nan 0.000 0.446 21 F N -0.599 119.189 119.950 -0.270 0.000 2.146 21 F HA -0.064 4.455 4.527 -0.013 0.000 0.298 21 F C 2.436 177.997 175.800 -0.399 0.000 1.096 21 F CA 1.789 59.514 58.000 -0.459 0.000 1.275 21 F CB -0.200 38.143 39.000 -1.094 0.000 1.008 21 F HN 0.101 nan 8.300 nan 0.000 0.480 22 R N 1.022 121.429 120.500 -0.154 0.000 2.115 22 R HA -0.121 4.211 4.340 -0.014 0.000 0.230 22 R C 2.164 178.465 176.300 0.003 0.000 1.111 22 R CA 1.182 57.272 56.100 -0.017 0.000 0.976 22 R CB -0.479 29.866 30.300 0.076 0.000 0.870 22 R HN 0.172 nan 8.270 nan 0.000 0.445 23 K N -0.309 120.078 120.400 -0.022 0.000 2.002 23 K HA -0.114 4.198 4.320 -0.014 0.000 0.209 23 K C 1.785 178.363 176.600 -0.037 0.000 1.048 23 K CA 1.664 57.937 56.287 -0.024 0.000 0.930 23 K CB -0.263 32.215 32.500 -0.036 0.000 0.714 23 K HN 0.187 nan 8.250 nan 0.000 0.438 24 A N 0.948 123.723 122.820 -0.075 0.000 1.972 24 A HA -0.092 4.220 4.320 -0.014 0.000 0.219 24 A C 2.277 179.845 177.584 -0.027 0.000 1.169 24 A CA 1.584 53.572 52.037 -0.081 0.000 0.635 24 A CB -0.536 18.369 19.000 -0.159 0.000 0.810 24 A HN 0.210 nan 8.150 nan 0.000 0.446 25 V N 0.006 119.924 119.914 0.005 0.000 2.358 25 V HA -0.232 3.879 4.120 -0.014 0.000 0.246 25 V C 2.533 178.653 176.094 0.043 0.000 1.047 25 V CA 2.389 64.721 62.300 0.054 0.000 1.035 25 V CB -0.530 31.356 31.823 0.105 0.000 0.658 25 V HN 0.736 nan 8.190 nan 0.000 0.452 26 K N 0.889 121.307 120.400 0.031 0.000 2.116 26 K HA -0.089 4.223 4.320 -0.014 0.000 0.203 26 K C 1.875 178.484 176.600 0.016 0.000 1.052 26 K CA 1.354 57.658 56.287 0.029 0.000 0.952 26 K CB -0.163 32.353 32.500 0.028 0.000 0.729 26 K HN 0.553 nan 8.250 nan 0.000 0.446 27 S N 0.382 116.084 115.700 0.003 0.000 2.803 27 S HA 0.144 4.605 4.470 -0.014 0.000 0.228 27 S C 0.216 174.813 174.600 -0.005 0.000 0.953 27 S CA -0.124 58.073 58.200 -0.005 0.000 0.983 27 S CB -0.005 63.184 63.200 -0.018 0.000 0.784 27 S HN 0.339 nan 8.310 nan 0.000 0.498 28 R N 0.093 120.597 120.500 0.007 0.000 3.932 28 R HA -0.209 4.122 4.340 -0.014 0.000 0.318 28 R C 1.146 177.446 176.300 -0.001 0.000 1.219 28 R CA 1.374 57.480 56.100 0.011 0.000 0.889 28 R CB -2.521 27.786 30.300 0.013 0.000 1.309 28 R HN 0.716 nan 8.270 nan 0.000 0.537 29 Q N -0.376 119.414 119.800 -0.017 0.000 2.083 29 Q HA 0.082 4.414 4.340 -0.014 0.000 0.198 29 Q C 1.150 177.129 176.000 -0.035 0.000 0.969 29 Q CA 1.601 57.380 55.803 -0.040 0.000 0.838 29 Q CB 0.150 28.847 28.738 -0.068 0.000 0.900 29 Q HN 0.656 nan 8.270 nan 0.000 0.436 30 I N -4.435 116.134 120.570 -0.003 0.000 2.846 30 I HA 0.361 4.523 4.170 -0.014 0.000 0.307 30 I C -2.423 173.748 176.117 0.089 0.000 1.053 30 I CA -2.695 58.634 61.300 0.048 0.000 1.050 30 I CB 1.906 39.972 38.000 0.111 0.000 1.239 30 I HN -0.239 nan 8.210 nan 0.000 0.439 31 P HA 0.235 nan 4.420 nan 0.000 0.221 31 P C 0.376 177.764 177.300 0.146 0.000 1.155 31 P CA 0.625 63.799 63.100 0.124 0.000 0.812 31 P CB 0.222 32.001 31.700 0.132 0.000 0.801 32 G N -1.885 107.032 108.800 0.195 0.000 2.321 32 G HA2 0.532 4.484 3.960 -0.014 0.000 0.298 32 G HA3 0.532 4.484 3.960 -0.014 0.000 0.298 32 G C -2.136 172.877 174.900 0.189 0.000 1.385 32 G CA 0.001 45.223 45.100 0.203 0.000 0.856 32 G HN 0.172 nan 8.290 nan 0.000 0.584 33 A N -0.971 121.929 122.820 0.134 0.000 2.566 33 A HA 0.774 5.085 4.320 -0.014 0.000 0.297 33 A C -1.188 176.362 177.584 -0.057 0.000 1.059 33 A CA -0.404 51.555 52.037 -0.131 0.000 0.691 33 A CB 1.736 20.546 19.000 -0.316 0.000 1.282 33 A HN 1.803 nan 8.150 nan 0.000 0.401 34 V N 3.392 123.215 119.914 -0.152 0.000 2.398 34 V HA 0.619 4.730 4.120 -0.014 0.000 0.286 34 V C -0.002 175.977 176.094 -0.191 0.000 1.026 34 V CA -0.238 61.958 62.300 -0.173 0.000 0.868 34 V CB 0.929 32.645 31.823 -0.179 0.000 0.982 34 V HN 0.837 nan 8.190 nan 0.000 0.443 35 I N 2.455 122.867 120.570 -0.264 0.000 2.689 35 I HA 0.858 5.020 4.170 -0.014 0.000 0.299 35 I C -0.834 175.220 176.117 -0.104 0.000 1.059 35 I CA -0.931 60.166 61.300 -0.340 0.000 1.055 35 I CB 2.430 39.942 38.000 -0.814 0.000 1.243 35 I HN 0.519 nan 8.210 nan 0.000 0.425 36 M N 4.428 124.111 119.600 0.139 0.000 2.365 36 M HA 0.757 5.228 4.480 -0.014 0.000 0.287 36 M C -1.131 175.466 176.300 0.496 0.000 1.154 36 M CA -0.446 55.023 55.300 0.281 0.000 0.941 36 M CB 2.395 35.079 32.600 0.139 0.000 1.704 36 M HN 0.855 nan 8.290 nan 0.000 0.479 37 A N 2.238 125.319 122.820 0.435 0.000 2.475 37 A HA 1.022 5.333 4.320 -0.014 0.000 0.301 37 A C -1.200 176.444 177.584 0.100 0.000 1.059 37 A CA -0.649 51.545 52.037 0.262 0.000 0.710 37 A CB 2.030 21.125 19.000 0.159 0.000 1.288 37 A HN 0.821 nan 8.150 nan 0.000 0.408 38 R N 0.179 120.673 120.500 -0.009 0.000 2.710 38 R HA 0.599 4.930 4.340 -0.014 0.000 0.270 38 R C -1.780 174.463 176.300 -0.094 0.000 1.021 38 R CA -0.404 55.639 56.100 -0.095 0.000 0.889 38 R CB 1.836 31.959 30.300 -0.295 0.000 1.243 38 R HN 0.944 nan 8.270 nan 0.000 0.464 39 D N 0.148 120.533 120.400 -0.024 0.000 2.477 39 D HA 0.359 4.991 4.640 -0.014 0.000 0.234 39 D C 0.137 176.510 176.300 0.122 0.000 1.048 39 D CA -0.557 53.410 54.000 -0.056 0.000 0.959 39 D CB 1.509 42.215 40.800 -0.157 0.000 1.408 39 D HN 0.428 nan 8.370 nan 0.000 0.496 40 A N 0.620 123.472 122.820 0.054 0.000 2.024 40 A HA -0.125 4.187 4.320 -0.014 0.000 0.220 40 A C 1.863 179.467 177.584 0.034 0.000 1.164 40 A CA 1.764 53.819 52.037 0.030 0.000 0.643 40 A CB -0.825 18.178 19.000 0.006 0.000 0.806 40 A HN 0.532 nan 8.150 nan 0.000 0.451 41 S N -1.446 114.304 115.700 0.083 0.000 2.507 41 S HA 0.220 4.682 4.470 -0.014 0.000 0.235 41 S C 1.821 176.467 174.600 0.076 0.000 0.988 41 S CA 1.145 59.390 58.200 0.074 0.000 0.944 41 S CB -0.356 62.905 63.200 0.102 0.000 0.762 41 S HN 1.573 nan 8.310 nan 0.000 0.526 42 G N 2.559 111.433 108.800 0.124 0.000 2.435 42 G HA2 -0.489 3.463 3.960 -0.014 0.000 0.245 42 G HA3 -0.489 3.463 3.960 -0.014 0.000 0.245 42 G C 0.979 175.977 174.900 0.163 0.000 1.073 42 G CA 0.972 46.186 45.100 0.191 0.000 0.638 42 G HN 0.714 nan 8.290 nan 0.000 0.521 43 N N 0.692 119.464 118.700 0.121 0.000 2.106 43 N HA 0.121 4.852 4.740 -0.014 0.000 0.188 43 N C 1.271 176.845 175.510 0.106 0.000 1.029 43 N CA 1.371 54.481 53.050 0.100 0.000 0.848 43 N CB -0.382 38.156 38.487 0.084 0.000 1.007 43 N HN 1.018 nan 8.380 nan 0.000 0.423 44 L N 1.189 122.492 121.223 0.134 0.000 2.513 44 L HA 0.258 4.590 4.340 -0.014 0.000 0.272 44 L C -0.632 176.280 176.870 0.070 0.000 1.187 44 L CA 0.495 55.408 54.840 0.122 0.000 0.895 44 L CB -0.332 41.799 42.059 0.121 0.000 1.147 44 L HN 0.397 nan 8.230 nan 0.000 0.483 45 N N 4.619 123.370 118.700 0.085 0.000 2.722 45 N HA 0.080 4.812 4.740 -0.014 0.000 0.242 45 N C -1.936 173.635 175.510 0.101 0.000 1.398 45 N CA -0.396 52.686 53.050 0.053 0.000 0.755 45 N CB 0.185 38.686 38.487 0.024 0.000 1.268 45 N HN 0.633 nan 8.380 nan 0.000 0.522 46 Y N 1.705 122.004 120.300 -0.001 0.000 2.342 46 Y HA 0.592 5.134 4.550 -0.014 0.000 0.334 46 Y C -0.394 175.513 175.900 0.012 0.000 1.067 46 Y CA -0.216 57.896 58.100 0.021 0.000 1.128 46 Y CB 1.540 40.036 38.460 0.059 0.000 1.200 46 Y HN 0.223 nan 8.280 nan 0.000 0.464 47 T N 7.359 121.602 114.554 -0.518 0.000 4.111 47 T HA 0.465 4.807 4.350 -0.014 0.000 0.346 47 T C -1.997 172.375 174.700 -0.547 0.000 0.893 47 T CA -0.885 60.976 62.100 -0.397 0.000 1.011 47 T CB 0.011 68.760 68.868 -0.199 0.000 1.094 47 T HN 0.676 nan 8.240 nan 0.000 0.467 48 R N 3.174 123.304 120.500 -0.616 0.000 2.532 48 R HA 0.590 4.921 4.340 -0.014 0.000 0.297 48 R C -0.800 175.037 176.300 -0.771 0.000 0.984 48 R CA -0.563 55.116 56.100 -0.703 0.000 0.884 48 R CB 1.076 30.911 30.300 -0.773 0.000 1.182 48 R HN 0.673 nan 8.270 nan 0.000 0.442 49 C N 2.874 121.729 119.300 -0.743 0.000 2.358 49 C HA 0.716 5.168 4.460 -0.014 0.000 0.342 49 C C -0.472 174.043 174.990 -0.791 0.000 1.234 49 C CA -0.485 58.174 59.018 -0.597 0.000 1.969 49 C CB -0.261 27.284 27.740 -0.325 0.000 2.346 49 C HN 0.636 nan 8.230 nan 0.000 0.525 50 F N 1.382 121.287 119.950 -0.076 0.000 2.547 50 F HA 0.691 5.210 4.527 -0.014 0.000 0.316 50 F C 0.735 176.546 175.800 0.019 0.000 1.121 50 F CA 0.554 58.551 58.000 -0.006 0.000 0.911 50 F CB 1.258 40.296 39.000 0.063 0.000 1.179 50 F HN 1.049 nan 8.300 nan 0.000 0.443 51 G N 1.222 110.147 108.800 0.209 0.000 2.642 51 G HA2 0.259 4.211 3.960 -0.014 0.000 0.231 51 G HA3 0.259 4.211 3.960 -0.014 0.000 0.231 51 G C -0.938 174.021 174.900 0.099 0.000 1.338 51 G CA -0.456 44.735 45.100 0.153 0.000 0.883 51 G HN 1.279 nan 8.290 nan 0.000 0.570 52 A N -0.466 122.413 122.820 0.098 0.000 2.306 52 A HA 0.783 5.095 4.320 -0.014 0.000 0.330 52 A C 1.405 179.044 177.584 0.092 0.000 1.146 52 A CA 0.695 52.780 52.037 0.080 0.000 0.827 52 A CB 1.071 20.116 19.000 0.075 0.000 1.178 52 A HN 1.639 nan 8.150 nan 0.000 0.490 53 R N 0.232 120.781 120.500 0.081 0.000 2.240 53 R HA 0.061 4.393 4.340 -0.014 0.000 0.203 53 R C 0.457 176.830 176.300 0.122 0.000 1.011 53 R CA 1.465 57.623 56.100 0.096 0.000 1.007 53 R CB -0.089 30.257 30.300 0.077 0.000 0.911 53 R HN 0.580 nan 8.270 nan 0.000 0.468 54 T N -1.011 113.614 114.554 0.118 0.000 2.804 54 T HA 0.345 4.687 4.350 -0.014 0.000 0.290 54 T C 0.465 175.244 174.700 0.131 0.000 1.099 54 T CA -0.310 61.878 62.100 0.147 0.000 1.011 54 T CB 1.952 70.916 68.868 0.161 0.000 1.291 54 T HN 0.004 nan 8.240 nan 0.000 0.523 55 V N -0.330 119.679 119.914 0.157 0.000 3.661 55 V HA 0.538 4.650 4.120 -0.014 0.000 0.271 55 V C 0.893 177.047 176.094 0.099 0.000 1.315 55 V CA -0.022 62.353 62.300 0.124 0.000 1.072 55 V CB -0.451 31.451 31.823 0.132 0.000 0.830 55 V HN 0.678 nan 8.190 nan 0.000 0.443 56 R N 2.243 122.805 120.500 0.103 0.000 2.298 56 R HA 0.376 4.708 4.340 -0.014 0.000 0.310 56 R C -0.065 176.221 176.300 -0.022 0.000 1.068 56 R CA -0.493 55.595 56.100 -0.020 0.000 0.957 56 R CB 0.586 30.762 30.300 -0.208 0.000 1.003 56 R HN 0.474 nan 8.270 nan 0.000 0.454 57 R N 3.023 123.505 120.500 -0.031 0.000 2.491 57 R HA 0.017 4.349 4.340 -0.014 0.000 0.283 57 R C 0.202 176.482 176.300 -0.033 0.000 1.072 57 R CA -0.503 55.587 56.100 -0.018 0.000 1.048 57 R CB 0.433 30.725 30.300 -0.013 0.000 0.983 57 R HN 0.734 nan 8.270 nan 0.000 0.450 58 D N 1.934 122.324 120.400 -0.017 0.000 2.274 58 D HA -0.080 4.551 4.640 -0.014 0.000 0.256 58 D C 0.390 176.677 176.300 -0.020 0.000 1.274 58 D CA -0.160 53.829 54.000 -0.019 0.000 0.998 58 D CB 0.413 41.209 40.800 -0.006 0.000 1.139 58 D HN 0.442 nan 8.370 nan 0.000 0.540 59 E N -1.276 118.914 120.200 -0.017 0.000 2.265 59 E HA -0.120 4.221 4.350 -0.014 0.000 0.196 59 E C 0.739 177.333 176.600 -0.011 0.000 0.996 59 E CA 1.187 57.578 56.400 -0.015 0.000 0.832 59 E CB -0.481 29.211 29.700 -0.012 0.000 0.756 59 E HN 0.478 nan 8.360 nan 0.000 0.491 60 N N 0.125 118.820 118.700 -0.008 0.000 2.235 60 N HA 0.103 4.834 4.740 -0.014 0.000 0.209 60 N C -0.308 175.200 175.510 -0.003 0.000 1.122 60 N CA -0.046 53.001 53.050 -0.004 0.000 0.845 60 N CB 0.469 38.955 38.487 -0.002 0.000 1.004 60 N HN -0.010 nan 8.380 nan 0.000 0.499 61 N N 0.731 119.429 118.700 -0.005 0.000 2.782 61 N HA -0.201 4.531 4.740 -0.014 0.000 0.251 61 N C -1.319 174.193 175.510 0.003 0.000 1.101 61 N CA 0.956 54.005 53.050 -0.002 0.000 0.764 61 N CB -0.783 37.703 38.487 -0.002 0.000 1.122 61 N HN 0.549 nan 8.380 nan 0.000 0.561 62 Q N -0.434 119.369 119.800 0.004 0.000 2.413 62 Q HA 0.652 4.984 4.340 -0.014 0.000 0.276 62 Q C -0.873 175.134 176.000 0.012 0.000 1.099 62 Q CA -1.251 54.558 55.803 0.010 0.000 0.814 62 Q CB 1.536 30.279 28.738 0.010 0.000 1.379 62 Q HN 0.158 nan 8.270 nan 0.000 0.436 63 L N -0.742 120.493 121.223 0.020 0.000 2.280 63 L HA 0.558 4.890 4.340 -0.014 0.000 0.287 63 L C -2.438 174.450 176.870 0.030 0.000 1.023 63 L CA -2.162 52.695 54.840 0.027 0.000 0.819 63 L CB 0.103 42.185 42.059 0.038 0.000 1.212 63 L HN 0.410 nan 8.230 nan 0.000 0.420 64 P HA 0.169 nan 4.420 nan 0.000 0.265 64 P C -2.617 174.701 177.300 0.030 0.000 1.193 64 P CA -0.693 62.421 63.100 0.024 0.000 0.765 64 P CB 0.020 31.733 31.700 0.022 0.000 0.823 65 P HA 0.157 nan 4.420 nan 0.000 0.282 65 P C -0.440 176.867 177.300 0.011 0.000 1.249 65 P CA -0.532 62.580 63.100 0.021 0.000 0.806 65 P CB 0.592 32.297 31.700 0.008 0.000 0.984 66 L N 0.778 122.011 121.223 0.015 0.000 2.439 66 L HA 0.609 4.941 4.340 -0.014 0.000 0.261 66 L C 0.266 177.106 176.870 -0.050 0.000 1.153 66 L CA 0.066 54.903 54.840 -0.004 0.000 0.808 66 L CB -0.372 41.697 42.059 0.017 0.000 1.126 66 L HN 0.590 nan 8.230 nan 0.000 0.460 67 Q N 0.610 120.364 119.800 -0.077 0.000 2.738 67 Q HA 0.392 4.723 4.340 -0.014 0.000 0.301 67 Q C 0.334 176.254 176.000 -0.132 0.000 0.901 67 Q CA -0.420 55.317 55.803 -0.110 0.000 0.756 67 Q CB 1.366 30.052 28.738 -0.088 0.000 1.463 67 Q HN 0.494 nan 8.270 nan 0.000 0.432 68 V N -2.303 117.525 119.914 -0.143 0.000 2.867 68 V HA -0.215 3.896 4.120 -0.014 0.000 0.260 68 V C 1.057 177.073 176.094 -0.130 0.000 1.099 68 V CA 2.307 64.513 62.300 -0.155 0.000 1.122 68 V CB -1.324 30.418 31.823 -0.134 0.000 0.708 68 V HN 0.898 nan 8.190 nan 0.000 0.490 69 D N -0.482 119.861 120.400 -0.094 0.000 2.349 69 D HA 0.038 4.669 4.640 -0.014 0.000 0.214 69 D C 0.635 176.904 176.300 -0.053 0.000 1.063 69 D CA 0.220 54.181 54.000 -0.064 0.000 0.847 69 D CB -0.523 40.250 40.800 -0.045 0.000 0.933 69 D HN 0.434 nan 8.370 nan 0.000 0.513 70 T N 2.417 116.930 114.554 -0.068 0.000 2.853 70 T HA 0.211 4.552 4.350 -0.014 0.000 0.298 70 T C -2.448 172.248 174.700 -0.007 0.000 0.978 70 T CA -1.075 61.006 62.100 -0.032 0.000 1.152 70 T CB 1.140 69.992 68.868 -0.028 0.000 0.914 70 T HN 0.020 nan 8.240 nan 0.000 0.539 71 P HA 0.331 nan 4.420 nan 0.000 0.271 71 P C -0.827 176.628 177.300 0.258 0.000 1.226 71 P CA -0.412 62.771 63.100 0.138 0.000 0.765 71 P CB 0.181 31.940 31.700 0.098 0.000 0.835 72 C N 3.257 122.757 119.300 0.334 0.000 2.797 72 C HA 0.527 4.979 4.460 -0.014 0.000 0.306 72 C C 0.228 175.307 174.990 0.148 0.000 1.207 72 C CA -1.062 58.165 59.018 0.347 0.000 1.507 72 C CB 1.647 29.606 27.740 0.364 0.000 2.028 72 C HN 0.590 nan 8.230 nan 0.000 0.475 73 R N 2.295 122.691 120.500 -0.174 0.000 2.296 73 R HA 0.348 4.680 4.340 -0.014 0.000 0.323 73 R C 0.247 176.380 176.300 -0.279 0.000 1.067 73 R CA -0.341 55.306 56.100 -0.754 0.000 0.946 73 R CB 0.244 30.084 30.300 -0.767 0.000 0.991 73 R HN 0.825 nan 8.270 nan 0.000 0.448 74 L N 2.783 123.858 121.223 -0.247 0.000 2.141 74 L HA -0.119 4.213 4.340 -0.014 0.000 0.209 74 L C 1.671 178.459 176.870 -0.138 0.000 1.094 74 L CA 1.185 55.935 54.840 -0.150 0.000 0.763 74 L CB -1.018 40.987 42.059 -0.089 0.000 0.908 74 L HN 1.091 nan 8.230 nan 0.000 0.437 75 A N 0.385 123.111 122.820 -0.157 0.000 5.483 75 A HA -0.374 3.938 4.320 -0.014 0.000 0.309 75 A C 1.593 179.190 177.584 0.021 0.000 1.898 75 A CA 1.689 53.680 52.037 -0.076 0.000 0.716 75 A CB -1.831 17.125 19.000 -0.073 0.000 1.309 75 A HN 0.337 nan 8.150 nan 0.000 0.380 76 S N 0.471 116.198 115.700 0.046 0.000 2.584 76 S HA 0.229 4.691 4.470 -0.014 0.000 0.240 76 S C 1.621 176.392 174.600 0.285 0.000 0.975 76 S CA 1.505 59.806 58.200 0.168 0.000 0.949 76 S CB -0.450 62.830 63.200 0.133 0.000 0.761 76 S HN 1.822 nan 8.310 nan 0.000 0.536 77 A N 1.106 124.039 122.820 0.189 0.000 2.238 77 A HA 0.125 4.436 4.320 -0.014 0.000 0.208 77 A C 1.973 179.764 177.584 0.345 0.000 1.177 77 A CA 0.549 52.778 52.037 0.320 0.000 0.804 77 A CB -0.709 18.350 19.000 0.097 0.000 0.823 77 A HN 0.387 nan 8.150 nan 0.000 0.482 78 T N 0.423 115.126 114.554 0.248 0.000 2.915 78 T HA -0.095 4.246 4.350 -0.014 0.000 0.269 78 T C 1.830 176.702 174.700 0.288 0.000 1.071 78 T CA 1.282 63.519 62.100 0.229 0.000 1.132 78 T CB -0.123 68.821 68.868 0.127 0.000 0.878 78 T HN 0.524 nan 8.240 nan 0.000 0.479 79 K N 0.890 121.495 120.400 0.343 0.000 2.074 79 K HA -0.105 4.207 4.320 -0.014 0.000 0.209 79 K C 2.183 178.935 176.600 0.254 0.000 1.048 79 K CA 0.960 57.431 56.287 0.306 0.000 0.926 79 K CB -0.615 32.095 32.500 0.350 0.000 0.713 79 K HN 0.226 nan 8.250 nan 0.000 0.444 80 L N 2.014 123.412 121.223 0.292 0.000 1.990 80 L HA -0.210 4.121 4.340 -0.014 0.000 0.213 80 L C 2.138 179.049 176.870 0.068 0.000 1.072 80 L CA 1.577 56.499 54.840 0.138 0.000 0.755 80 L CB -0.608 41.428 42.059 -0.039 0.000 0.889 80 L HN 0.134 nan 8.230 nan 0.000 0.432 81 L N -1.392 119.886 121.223 0.092 0.000 1.971 81 L HA -0.298 4.034 4.340 -0.014 0.000 0.215 81 L C 2.371 179.317 176.870 0.127 0.000 1.072 81 L CA 2.216 57.105 54.840 0.082 0.000 0.758 81 L CB -1.676 40.457 42.059 0.124 0.000 0.889 81 L HN 0.321 nan 8.230 nan 0.000 0.433 82 T N -1.170 113.484 114.554 0.168 0.000 2.665 82 T HA -0.208 4.133 4.350 -0.014 0.000 0.268 82 T C 1.887 176.650 174.700 0.104 0.000 1.035 82 T CA 2.030 64.222 62.100 0.154 0.000 1.151 82 T CB -0.481 68.489 68.868 0.170 0.000 0.862 82 T HN 0.344 nan 8.240 nan 0.000 0.438 83 T N 1.928 116.542 114.554 0.099 0.000 2.803 83 T HA -0.016 4.326 4.350 -0.014 0.000 0.269 83 T C 1.928 176.662 174.700 0.058 0.000 1.052 83 T CA 0.886 63.030 62.100 0.073 0.000 1.136 83 T CB -0.449 68.469 68.868 0.083 0.000 0.864 83 T HN 0.346 nan 8.240 nan 0.000 0.467 84 I N 0.587 121.191 120.570 0.057 0.000 2.133 84 I HA -0.174 3.988 4.170 -0.014 0.000 0.238 84 I C 2.469 178.639 176.117 0.088 0.000 1.074 84 I CA 1.423 62.756 61.300 0.056 0.000 1.342 84 I CB -0.338 37.684 38.000 0.036 0.000 1.053 84 I HN 0.237 nan 8.210 nan 0.000 0.404 85 M N 0.301 119.974 119.600 0.121 0.000 2.267 85 M HA -0.219 4.253 4.480 -0.014 0.000 0.263 85 M C 2.373 178.699 176.300 0.043 0.000 1.063 85 M CA 1.908 57.306 55.300 0.162 0.000 1.090 85 M CB -0.499 32.193 32.600 0.154 0.000 1.392 85 M HN 0.349 nan 8.290 nan 0.000 0.422 86 A N 0.393 123.227 122.820 0.023 0.000 1.872 86 A HA -0.051 4.260 4.320 -0.014 0.000 0.214 86 A C 2.046 179.641 177.584 0.018 0.000 1.187 86 A CA 1.135 53.171 52.037 -0.002 0.000 0.614 86 A CB -0.776 18.226 19.000 0.004 0.000 0.826 86 A HN 0.456 nan 8.150 nan 0.000 0.442 87 L N -0.494 120.751 121.223 0.037 0.000 2.275 87 L HA -0.202 4.129 4.340 -0.014 0.000 0.215 87 L C 2.746 179.648 176.870 0.053 0.000 1.119 87 L CA 0.909 55.773 54.840 0.040 0.000 0.790 87 L CB -0.516 41.569 42.059 0.043 0.000 0.919 87 L HN 0.505 nan 8.230 nan 0.000 0.443 88 Q N -0.720 119.128 119.800 0.081 0.000 2.046 88 Q HA -0.193 4.139 4.340 -0.014 0.000 0.200 88 Q C 2.507 178.568 176.000 0.101 0.000 0.975 88 Q CA 1.827 57.697 55.803 0.112 0.000 0.836 88 Q CB -0.215 28.645 28.738 0.203 0.000 0.896 88 Q HN 0.593 nan 8.270 nan 0.000 0.428 89 C N 0.532 119.879 119.300 0.077 0.000 2.440 89 C HA -0.089 4.362 4.460 -0.014 0.000 0.278 89 C C 2.632 177.639 174.990 0.027 0.000 1.295 89 C CA 0.324 59.367 59.018 0.041 0.000 1.738 89 C CB -0.812 26.916 27.740 -0.020 0.000 1.987 89 C HN 0.561 nan 8.230 nan 0.000 0.492 90 M N 1.247 120.860 119.600 0.022 0.000 2.086 90 M HA -0.153 4.318 4.480 -0.014 0.000 0.261 90 M C 2.159 178.471 176.300 0.020 0.000 1.067 90 M CA 1.809 57.118 55.300 0.014 0.000 1.116 90 M CB -0.838 31.769 32.600 0.013 0.000 1.348 90 M HN 0.459 nan 8.290 nan 0.000 0.407 91 E N -0.120 120.097 120.200 0.029 0.000 2.033 91 E HA -0.235 4.107 4.350 -0.014 0.000 0.199 91 E C 1.872 178.489 176.600 0.027 0.000 1.011 91 E CA 1.645 58.062 56.400 0.028 0.000 0.815 91 E CB -0.149 29.571 29.700 0.034 0.000 0.755 91 E HN 0.519 nan 8.360 nan 0.000 0.451 92 R N -0.901 119.621 120.500 0.037 0.000 2.328 92 R HA -0.034 4.298 4.340 -0.014 0.000 0.207 92 R C 1.358 177.674 176.300 0.027 0.000 1.056 92 R CA 0.575 56.697 56.100 0.036 0.000 1.016 92 R CB 0.110 30.443 30.300 0.055 0.000 0.872 92 R HN 0.387 nan 8.270 nan 0.000 0.471 93 G N 0.159 108.972 108.800 0.020 0.000 2.194 93 G HA2 -0.280 3.672 3.960 -0.014 0.000 0.236 93 G HA3 -0.280 3.672 3.960 -0.014 0.000 0.236 93 G C 0.749 175.655 174.900 0.010 0.000 0.987 93 G CA 0.030 45.138 45.100 0.013 0.000 0.635 93 G HN 0.250 nan 8.290 nan 0.000 0.520 94 L N 0.282 121.513 121.223 0.013 0.000 2.191 94 L HA 0.248 4.580 4.340 -0.014 0.000 0.212 94 L C 1.672 178.540 176.870 -0.003 0.000 1.103 94 L CA 1.636 56.481 54.840 0.007 0.000 0.769 94 L CB -0.385 41.681 42.059 0.011 0.000 0.908 94 L HN 0.639 nan 8.230 nan 0.000 0.438 95 V N -5.300 114.611 119.914 -0.004 0.000 3.103 95 V HA 0.702 4.814 4.120 -0.014 0.000 0.311 95 V C -1.814 174.273 176.094 -0.010 0.000 1.322 95 V CA -1.010 61.283 62.300 -0.011 0.000 1.063 95 V CB 2.252 34.065 31.823 -0.017 0.000 1.090 95 V HN -0.078 nan 8.190 nan 0.000 0.462 96 D N -1.389 119.001 120.400 -0.017 0.000 2.927 96 D HA 0.471 5.102 4.640 -0.014 0.000 0.219 96 D C 0.604 176.888 176.300 -0.028 0.000 1.248 96 D CA -0.545 53.444 54.000 -0.018 0.000 0.861 96 D CB 1.892 42.681 40.800 -0.018 0.000 1.677 96 D HN 0.598 nan 8.370 nan 0.000 0.511 97 L N 1.536 122.742 121.223 -0.029 0.000 2.081 97 L HA -0.109 4.222 4.340 -0.014 0.000 0.212 97 L C 0.669 177.499 176.870 -0.068 0.000 1.080 97 L CA 1.245 56.060 54.840 -0.043 0.000 0.754 97 L CB -0.137 41.899 42.059 -0.039 0.000 0.893 97 L HN 0.498 nan 8.230 nan 0.000 0.433 98 D N -1.168 119.194 120.400 -0.062 0.000 2.369 98 D HA 0.009 4.641 4.640 -0.014 0.000 0.211 98 D C 0.690 176.957 176.300 -0.055 0.000 1.077 98 D CA 0.050 54.004 54.000 -0.076 0.000 0.842 98 D CB 0.136 40.895 40.800 -0.067 0.000 0.947 98 D HN 0.344 nan 8.370 nan 0.000 0.509 99 E N 1.140 121.313 120.200 -0.044 0.000 2.414 99 E HA 0.023 4.364 4.350 -0.014 0.000 0.263 99 E C -0.417 176.158 176.600 -0.042 0.000 1.000 99 E CA 0.082 56.459 56.400 -0.038 0.000 0.914 99 E CB 0.585 30.265 29.700 -0.033 0.000 0.948 99 E HN -0.176 nan 8.360 nan 0.000 0.444 100 T N 4.526 119.056 114.554 -0.041 0.000 2.784 100 T HA -0.050 4.291 4.350 -0.014 0.000 0.291 100 T C 1.333 175.995 174.700 -0.062 0.000 0.942 100 T CA -0.242 61.829 62.100 -0.048 0.000 1.161 100 T CB 1.127 69.965 68.868 -0.050 0.000 0.885 100 T HN 0.530 nan 8.240 nan 0.000 0.534 101 V N 3.859 123.727 119.914 -0.078 0.000 2.311 101 V HA -0.324 3.788 4.120 -0.014 0.000 0.256 101 V C 2.194 178.226 176.094 -0.102 0.000 1.077 101 V CA 2.801 65.041 62.300 -0.100 0.000 1.067 101 V CB -0.669 31.060 31.823 -0.156 0.000 0.659 101 V HN 1.058 nan 8.190 nan 0.000 0.451 102 D N -0.536 119.798 120.400 -0.111 0.000 2.315 102 D HA -0.272 4.360 4.640 -0.014 0.000 0.211 102 D C 2.076 178.335 176.300 -0.068 0.000 0.977 102 D CA 1.623 55.561 54.000 -0.103 0.000 0.894 102 D CB -0.680 40.061 40.800 -0.099 0.000 0.910 102 D HN 0.588 nan 8.370 nan 0.000 0.490 103 R N 0.081 120.548 120.500 -0.054 0.000 2.080 103 R HA -0.099 4.232 4.340 -0.014 0.000 0.236 103 R C 1.680 177.963 176.300 -0.029 0.000 1.137 103 R CA 1.095 57.173 56.100 -0.037 0.000 0.943 103 R CB -0.110 30.171 30.300 -0.031 0.000 0.846 103 R HN 0.187 nan 8.270 nan 0.000 0.431 104 L N 0.397 121.602 121.223 -0.029 0.000 2.307 104 L HA 0.134 4.465 4.340 -0.014 0.000 0.211 104 L C 0.913 177.783 176.870 -0.001 0.000 1.099 104 L CA 0.866 55.699 54.840 -0.012 0.000 0.816 104 L CB -0.103 41.951 42.059 -0.008 0.000 0.952 104 L HN 0.232 nan 8.230 nan 0.000 0.455 105 L N 0.573 121.772 121.223 -0.040 0.000 2.637 105 L HA 0.216 4.548 4.340 -0.014 0.000 0.241 105 L C -1.629 175.161 176.870 -0.134 0.000 1.398 105 L CA -1.013 53.789 54.840 -0.063 0.000 0.895 105 L CB 0.878 42.851 42.059 -0.143 0.000 1.183 105 L HN -0.094 nan 8.230 nan 0.000 0.497 106 P HA -0.156 nan 4.420 nan 0.000 0.216 106 P C 1.065 178.302 177.300 -0.105 0.000 1.153 106 P CA 1.213 64.261 63.100 -0.086 0.000 0.848 106 P CB 0.145 31.818 31.700 -0.045 0.000 0.787 107 D N -0.195 120.171 120.400 -0.056 0.000 2.182 107 D HA -0.181 4.451 4.640 -0.014 0.000 0.201 107 D C 1.848 178.065 176.300 -0.138 0.000 0.986 107 D CA 0.979 54.965 54.000 -0.023 0.000 0.847 107 D CB -1.239 39.635 40.800 0.123 0.000 0.942 107 D HN 0.122 nan 8.370 nan 0.000 0.467 108 L N 0.196 121.160 121.223 -0.432 0.000 2.095 108 L HA 0.072 4.403 4.340 -0.014 0.000 0.204 108 L C 2.244 178.830 176.870 -0.473 0.000 1.080 108 L CA 1.397 55.745 54.840 -0.821 0.000 0.759 108 L CB -0.831 40.257 42.059 -1.617 0.000 0.914 108 L HN 0.013 nan 8.230 nan 0.000 0.439 109 S N -0.973 114.518 115.700 -0.347 0.000 2.453 109 S HA -0.003 4.458 4.470 -0.014 0.000 0.231 109 S C 2.027 176.514 174.600 -0.189 0.000 1.005 109 S CA 0.839 58.890 58.200 -0.248 0.000 0.949 109 S CB -0.271 62.815 63.200 -0.189 0.000 0.774 109 S HN 0.640 nan 8.310 nan 0.000 0.510 110 A N 1.561 124.279 122.820 -0.170 0.000 1.968 110 A HA 0.191 4.503 4.320 -0.014 0.000 0.217 110 A C 1.007 178.510 177.584 -0.134 0.000 1.169 110 A CA 0.581 52.539 52.037 -0.132 0.000 0.638 110 A CB -0.355 18.581 19.000 -0.107 0.000 0.812 110 A HN 0.447 nan 8.150 nan 0.000 0.446 111 M N 1.145 120.656 119.600 -0.149 0.000 2.240 111 M HA 0.095 4.566 4.480 -0.014 0.000 0.346 111 M C -2.106 174.107 176.300 -0.144 0.000 1.236 111 M CA -1.547 53.674 55.300 -0.131 0.000 0.986 111 M CB -0.749 31.770 32.600 -0.135 0.000 1.786 111 M HN 0.173 nan 8.290 nan 0.000 0.457 112 P HA 0.339 nan 4.420 nan 0.000 0.279 112 P C -0.866 176.333 177.300 -0.169 0.000 1.276 112 P CA -0.632 62.384 63.100 -0.141 0.000 0.801 112 P CB 1.176 32.802 31.700 -0.124 0.000 1.127 113 V N 1.662 121.473 119.914 -0.170 0.000 2.427 113 V HA 0.291 4.403 4.120 -0.014 0.000 0.286 113 V C -0.140 175.832 176.094 -0.204 0.000 1.034 113 V CA -1.114 61.071 62.300 -0.191 0.000 0.893 113 V CB 0.624 32.344 31.823 -0.172 0.000 0.982 113 V HN 0.412 nan 8.190 nan 0.000 0.452 114 L N 5.711 126.781 121.223 -0.256 0.000 2.325 114 L HA 0.372 4.704 4.340 -0.014 0.000 0.284 114 L C 1.155 177.901 176.870 -0.208 0.000 1.089 114 L CA 0.162 54.829 54.840 -0.288 0.000 0.836 114 L CB 0.960 42.765 42.059 -0.424 0.000 1.184 114 L HN 0.946 nan 8.230 nan 0.000 0.444 115 E N 3.631 123.722 120.200 -0.181 0.000 2.060 115 E HA 0.173 4.515 4.350 -0.014 0.000 0.189 115 E C 0.626 177.174 176.600 -0.086 0.000 0.974 115 E CA 0.776 57.107 56.400 -0.115 0.000 0.808 115 E CB 0.335 29.978 29.700 -0.095 0.000 0.768 115 E HN 0.894 nan 8.360 nan 0.000 0.453 116 G N -1.224 107.486 108.800 -0.149 0.000 2.341 116 G HA2 0.359 4.311 3.960 -0.014 0.000 0.299 116 G HA3 0.359 4.311 3.960 -0.014 0.000 0.299 116 G C -1.639 173.107 174.900 -0.258 0.000 1.274 116 G CA -0.881 44.168 45.100 -0.085 0.000 0.853 116 G HN 0.064 nan 8.290 nan 0.000 0.493 117 F N 1.131 121.125 119.950 0.074 0.000 2.561 117 F HA 0.531 5.051 4.527 -0.011 0.000 0.321 117 F C 0.472 176.307 175.800 0.058 0.000 1.065 117 F CA -0.461 57.589 58.000 0.083 0.000 0.934 117 F CB 2.223 41.281 39.000 0.097 0.000 1.215 117 F HN 0.655 nan 8.300 nan 0.000 0.471 118 D N -0.361 120.183 120.400 0.241 0.000 2.496 118 D HA 0.113 4.744 4.640 -0.014 0.000 0.283 118 D C 0.134 176.513 176.300 0.133 0.000 1.214 118 D CA -0.145 53.940 54.000 0.142 0.000 1.089 118 D CB 0.305 41.164 40.800 0.097 0.000 1.141 118 D HN 0.433 nan 8.370 nan 0.000 0.580 119 D N -0.686 119.767 120.400 0.088 0.000 2.201 119 D HA 0.040 4.672 4.640 -0.014 0.000 0.209 119 D C 1.813 178.149 176.300 0.060 0.000 0.961 119 D CA 1.079 55.118 54.000 0.065 0.000 0.861 119 D CB -0.404 40.424 40.800 0.046 0.000 0.997 119 D HN 0.502 nan 8.370 nan 0.000 0.486 120 A N 0.590 123.448 122.820 0.063 0.000 2.178 120 A HA 0.158 4.470 4.320 -0.014 0.000 0.218 120 A C 1.960 179.593 177.584 0.080 0.000 1.157 120 A CA 1.872 53.946 52.037 0.060 0.000 0.689 120 A CB -0.556 18.478 19.000 0.057 0.000 0.787 120 A HN 0.359 nan 8.150 nan 0.000 0.465 121 G N -1.412 107.457 108.800 0.116 0.000 2.213 121 G HA2 -0.254 3.697 3.960 -0.014 0.000 0.236 121 G HA3 -0.254 3.697 3.960 -0.014 0.000 0.236 121 G C 0.115 175.192 174.900 0.295 0.000 0.991 121 G CA 0.065 45.255 45.100 0.150 0.000 0.629 121 G HN 0.515 nan 8.290 nan 0.000 0.517 122 N N 1.381 120.224 118.700 0.238 0.000 2.345 122 N HA 0.366 5.098 4.740 -0.014 0.000 0.243 122 N C 0.826 176.527 175.510 0.318 0.000 1.246 122 N CA 0.912 54.116 53.050 0.256 0.000 0.863 122 N CB 0.578 39.143 38.487 0.130 0.000 1.096 122 N HN 0.945 nan 8.380 nan 0.000 0.446 123 A N 2.372 125.358 122.820 0.276 0.000 2.515 123 A HA 0.025 4.337 4.320 -0.014 0.000 0.263 123 A C 0.791 178.328 177.584 -0.079 0.000 1.096 123 A CA 0.003 52.065 52.037 0.042 0.000 0.769 123 A CB -0.180 18.837 19.000 0.028 0.000 1.040 123 A HN 0.682 nan 8.150 nan 0.000 0.505 124 R N 2.638 123.019 120.500 -0.198 0.000 2.265 124 R HA 0.610 4.942 4.340 -0.014 0.000 0.319 124 R C -1.443 174.758 176.300 -0.166 0.000 1.006 124 R CA -0.419 55.601 56.100 -0.133 0.000 0.880 124 R CB 0.469 30.715 30.300 -0.091 0.000 1.077 124 R HN 0.562 nan 8.270 nan 0.000 0.454 125 L N 3.603 124.757 121.223 -0.116 0.000 2.388 125 L HA 0.611 4.943 4.340 -0.014 0.000 0.264 125 L C -0.915 175.895 176.870 -0.101 0.000 0.998 125 L CA -0.561 54.207 54.840 -0.121 0.000 0.817 125 L CB 1.939 43.941 42.059 -0.095 0.000 1.338 125 L HN 0.781 nan 8.230 nan 0.000 0.414 126 R N 2.131 122.565 120.500 -0.111 0.000 2.740 126 R HA 0.503 4.834 4.340 -0.014 0.000 0.273 126 R C -1.183 175.055 176.300 -0.102 0.000 0.998 126 R CA -0.645 55.398 56.100 -0.095 0.000 0.900 126 R CB 1.845 32.090 30.300 -0.091 0.000 1.223 126 R HN 0.750 nan 8.270 nan 0.000 0.466 127 E N 3.396 123.542 120.200 -0.090 0.000 2.371 127 E HA 0.139 4.481 4.350 -0.014 0.000 0.257 127 E C -0.871 175.669 176.600 -0.100 0.000 1.134 127 E CA -0.729 55.614 56.400 -0.095 0.000 0.919 127 E CB 1.118 30.769 29.700 -0.082 0.000 1.025 127 E HN 0.462 nan 8.360 nan 0.000 0.438 128 R N 2.195 122.629 120.500 -0.110 0.000 2.267 128 R HA 0.137 4.469 4.340 -0.014 0.000 0.319 128 R C -0.315 175.924 176.300 -0.102 0.000 1.067 128 R CA -0.328 55.700 56.100 -0.119 0.000 0.936 128 R CB 0.532 30.748 30.300 -0.140 0.000 1.006 128 R HN 0.523 nan 8.270 nan 0.000 0.452 129 R N 2.627 123.070 120.500 -0.096 0.000 2.389 129 R HA 0.265 4.597 4.340 -0.014 0.000 0.295 129 R C 0.175 176.421 176.300 -0.089 0.000 1.075 129 R CA 0.911 56.963 56.100 -0.080 0.000 1.005 129 R CB 1.189 31.448 30.300 -0.069 0.000 0.987 129 R HN 1.002 nan 8.270 nan 0.000 0.452 130 G N 1.884 110.639 108.800 -0.075 0.000 2.710 130 G HA2 -0.156 3.795 3.960 -0.014 0.000 0.668 130 G HA3 -0.156 3.795 3.960 -0.014 0.000 0.668 130 G C -1.197 173.654 174.900 -0.083 0.000 1.320 130 G CA -0.831 44.225 45.100 -0.074 0.000 0.860 130 G HN 0.396 nan 8.290 nan 0.000 0.538 131 K N -1.103 119.257 120.400 -0.067 0.000 2.439 131 K HA 0.783 5.094 4.320 -0.014 0.000 0.260 131 K C -0.805 175.771 176.600 -0.041 0.000 1.032 131 K CA -0.813 55.433 56.287 -0.068 0.000 0.882 131 K CB 2.359 34.829 32.500 -0.050 0.000 1.420 131 K HN 0.993 nan 8.250 nan 0.000 0.455 132 I N 1.013 121.558 120.570 -0.043 0.000 2.499 132 I HA 0.384 4.545 4.170 -0.014 0.000 0.288 132 I C -0.631 175.508 176.117 0.036 0.000 1.048 132 I CA -0.201 61.090 61.300 -0.015 0.000 1.062 132 I CB 1.825 39.729 38.000 -0.160 0.000 1.238 132 I HN 0.717 nan 8.210 nan 0.000 0.426 133 T N 4.503 119.162 114.554 0.175 0.000 2.926 133 T HA 0.296 4.638 4.350 -0.014 0.000 0.289 133 T C 0.872 175.556 174.700 -0.026 0.000 1.054 133 T CA -0.860 61.246 62.100 0.010 0.000 1.015 133 T CB 1.677 70.494 68.868 -0.084 0.000 1.167 133 T HN 0.577 nan 8.240 nan 0.000 0.526 134 L N 0.521 121.711 121.223 -0.055 0.000 2.083 134 L HA -0.028 4.304 4.340 -0.014 0.000 0.209 134 L C 2.590 179.428 176.870 -0.054 0.000 1.083 134 L CA 1.769 56.580 54.840 -0.048 0.000 0.752 134 L CB -0.796 41.240 42.059 -0.039 0.000 0.899 134 L HN 0.906 nan 8.230 nan 0.000 0.433 135 R N -0.917 119.527 120.500 -0.093 0.000 2.091 135 R HA -0.225 4.107 4.340 -0.014 0.000 0.238 135 R C 2.160 178.407 176.300 -0.088 0.000 1.136 135 R CA 1.947 57.984 56.100 -0.106 0.000 0.959 135 R CB -0.377 29.819 30.300 -0.173 0.000 0.856 135 R HN 0.533 nan 8.270 nan 0.000 0.437 136 H N -0.025 119.007 119.070 -0.064 0.000 2.353 136 H HA -0.105 4.443 4.556 -0.014 0.000 0.300 136 H C 2.167 177.408 175.328 -0.145 0.000 1.090 136 H CA 1.702 57.694 56.048 -0.093 0.000 1.327 136 H CB 0.047 29.742 29.762 -0.111 0.000 1.383 136 H HN 0.150 nan 8.280 nan 0.000 0.508 137 L N 0.270 121.480 121.223 -0.022 0.000 1.989 137 L HA -0.216 4.116 4.340 -0.014 0.000 0.211 137 L C 2.209 178.951 176.870 -0.213 0.000 1.071 137 L CA 1.191 55.955 54.840 -0.128 0.000 0.749 137 L CB -0.529 41.481 42.059 -0.082 0.000 0.890 137 L HN 0.357 nan 8.230 nan 0.000 0.431 138 L N -0.309 120.847 121.223 -0.112 0.000 2.353 138 L HA -0.130 4.201 4.340 -0.014 0.000 0.220 138 L C 2.080 178.946 176.870 -0.006 0.000 1.133 138 L CA 1.499 56.298 54.840 -0.068 0.000 0.798 138 L CB -0.783 41.286 42.059 0.018 0.000 0.922 138 L HN 0.486 nan 8.230 nan 0.000 0.445 139 T N -5.818 108.717 114.554 -0.032 0.000 3.092 139 T HA 0.084 4.426 4.350 -0.014 0.000 0.258 139 T C 0.608 175.225 174.700 -0.138 0.000 1.031 139 T CA -0.412 61.722 62.100 0.057 0.000 0.925 139 T CB -0.109 68.853 68.868 0.158 0.000 1.036 139 T HN 0.288 nan 8.240 nan 0.000 0.544 140 H N 0.517 119.406 119.070 -0.302 0.000 2.791 140 H HA -0.118 4.430 4.556 -0.013 0.000 0.302 140 H C -0.104 174.899 175.328 -0.540 0.000 1.198 140 H CA 1.256 56.968 56.048 -0.559 0.000 1.145 140 H CB -2.263 26.904 29.762 -0.991 0.000 1.385 140 H HN 0.480 nan 8.280 nan 0.000 0.409 141 T N -1.223 113.215 114.554 -0.193 0.000 3.252 141 T HA 0.058 4.399 4.350 -0.014 0.000 0.286 141 T C 1.589 176.167 174.700 -0.203 0.000 1.013 141 T CA 0.508 62.539 62.100 -0.115 0.000 0.914 141 T CB 0.265 69.192 68.868 0.098 0.000 1.131 141 T HN 0.514 nan 8.240 nan 0.000 0.529 142 S N 1.027 116.588 115.700 -0.233 0.000 2.507 142 S HA 0.194 4.656 4.470 -0.014 0.000 0.235 142 S C 2.091 176.503 174.600 -0.313 0.000 0.988 142 S CA 0.585 58.619 58.200 -0.276 0.000 0.944 142 S CB -0.532 62.523 63.200 -0.242 0.000 0.762 142 S HN 0.769 nan 8.310 nan 0.000 0.526 143 G N 0.445 109.070 108.800 -0.292 0.000 2.143 143 G HA2 -0.210 3.742 3.960 -0.014 0.000 0.249 143 G HA3 -0.210 3.742 3.960 -0.014 0.000 0.249 143 G C -0.222 174.512 174.900 -0.277 0.000 0.981 143 G CA 0.410 45.347 45.100 -0.272 0.000 0.665 143 G HN 1.143 nan 8.290 nan 0.000 0.528 144 L N -1.299 119.753 121.223 -0.285 0.000 2.323 144 L HA 1.017 5.349 4.340 -0.014 0.000 0.265 144 L C -0.134 176.551 176.870 -0.309 0.000 1.012 144 L CA -0.401 54.273 54.840 -0.277 0.000 0.820 144 L CB 2.143 44.062 42.059 -0.233 0.000 1.334 144 L HN 0.476 nan 8.230 nan 0.000 0.427 145 S N 0.201 115.725 115.700 -0.292 0.000 2.697 145 S HA 0.700 5.162 4.470 -0.014 0.000 0.289 145 S C -1.307 173.142 174.600 -0.252 0.000 1.149 145 S CA -0.469 57.573 58.200 -0.265 0.000 0.850 145 S CB 0.764 63.854 63.200 -0.183 0.000 1.151 145 S HN 0.527 nan 8.310 nan 0.000 0.491 146 Y N 1.122 121.365 120.300 -0.095 0.000 2.301 146 Y HA 0.297 4.839 4.550 -0.013 0.000 0.325 146 Y C 1.572 177.447 175.900 -0.041 0.000 1.203 146 Y CA -0.275 57.773 58.100 -0.086 0.000 1.255 146 Y CB 0.852 39.274 38.460 -0.062 0.000 1.232 146 Y HN 0.404 nan 8.280 nan 0.000 0.501 147 V N 1.838 121.783 119.914 0.051 0.000 2.261 147 V HA -0.306 3.805 4.120 -0.014 0.000 0.246 147 V C 1.353 177.489 176.094 0.071 0.000 1.047 147 V CA 1.800 64.054 62.300 -0.077 0.000 1.015 147 V CB -0.574 30.995 31.823 -0.424 0.000 0.642 147 V HN 0.642 nan 8.190 nan 0.000 0.446 148 F N -0.306 119.733 119.950 0.149 0.000 2.725 148 F HA 0.268 4.791 4.527 -0.008 0.000 0.303 148 F C 1.503 177.389 175.800 0.143 0.000 1.167 148 F CA 0.115 58.188 58.000 0.122 0.000 1.403 148 F CB -0.786 38.264 39.000 0.084 0.000 1.077 148 F HN 0.081 nan 8.300 nan 0.000 0.537 149 L N -1.946 119.483 121.223 0.343 0.000 2.575 149 L HA 0.163 4.495 4.340 -0.014 0.000 0.228 149 L C 0.125 177.171 176.870 0.293 0.000 1.075 149 L CA 0.113 55.141 54.840 0.314 0.000 0.867 149 L CB 0.015 42.281 42.059 0.345 0.000 1.097 149 L HN -0.030 nan 8.230 nan 0.000 0.485 150 H N 0.669 119.844 119.070 0.175 0.000 2.459 150 H HA 0.252 4.801 4.556 -0.013 0.000 0.332 150 H C -1.935 173.480 175.328 0.146 0.000 1.094 150 H CA -1.826 54.301 56.048 0.131 0.000 1.224 150 H CB 2.027 31.834 29.762 0.075 0.000 1.449 150 H HN -0.254 nan 8.280 nan 0.000 0.484 151 P HA -0.140 nan 4.420 nan 0.000 0.218 151 P C 1.154 178.506 177.300 0.086 0.000 1.149 151 P CA 1.091 64.150 63.100 -0.069 0.000 0.817 151 P CB 0.413 32.020 31.700 -0.154 0.000 0.785 152 L N -1.445 119.890 121.223 0.187 0.000 2.007 152 L HA -0.113 4.219 4.340 -0.014 0.000 0.205 152 L C 2.526 179.671 176.870 0.457 0.000 1.073 152 L CA 1.251 56.343 54.840 0.421 0.000 0.744 152 L CB -1.163 41.145 42.059 0.415 0.000 0.898 152 L HN -0.096 nan 8.230 nan 0.000 0.435 153 L N -0.648 120.791 121.223 0.360 0.000 2.043 153 L HA -0.232 4.099 4.340 -0.014 0.000 0.212 153 L C 2.978 180.047 176.870 0.332 0.000 1.075 153 L CA 0.911 55.932 54.840 0.302 0.000 0.752 153 L CB -0.669 41.502 42.059 0.187 0.000 0.891 153 L HN 0.296 nan 8.230 nan 0.000 0.432 154 R N 0.237 120.911 120.500 0.291 0.000 2.133 154 R HA -0.267 4.065 4.340 -0.014 0.000 0.245 154 R C 2.083 178.500 176.300 0.196 0.000 1.137 154 R CA 1.971 58.230 56.100 0.265 0.000 0.947 154 R CB -0.787 29.619 30.300 0.177 0.000 0.865 154 R HN 0.503 nan 8.270 nan 0.000 0.437 155 E N -0.920 119.361 120.200 0.134 0.000 2.112 155 E HA -0.147 4.194 4.350 -0.014 0.000 0.190 155 E C 1.849 178.492 176.600 0.073 0.000 0.979 155 E CA 0.288 56.647 56.400 -0.069 0.000 0.814 155 E CB -0.130 29.281 29.700 -0.481 0.000 0.762 155 E HN 0.267 nan 8.360 nan 0.000 0.460 156 Y N 0.675 121.183 120.300 0.347 0.000 2.151 156 Y HA -0.312 4.229 4.550 -0.015 0.000 0.284 156 Y C 2.280 178.266 175.900 0.143 0.000 1.166 156 Y CA 1.930 60.288 58.100 0.430 0.000 1.163 156 Y CB -0.110 38.589 38.460 0.399 0.000 0.974 156 Y HN 0.129 nan 8.280 nan 0.000 0.511 157 M N -0.474 119.277 119.600 0.251 0.000 2.086 157 M HA -0.181 4.291 4.480 -0.014 0.000 0.261 157 M C 2.348 178.671 176.300 0.038 0.000 1.067 157 M CA 1.911 57.294 55.300 0.138 0.000 1.116 157 M CB -1.089 31.649 32.600 0.230 0.000 1.348 157 M HN 0.389 nan 8.290 nan 0.000 0.407 158 A N 0.459 123.295 122.820 0.027 0.000 1.892 158 A HA -0.236 4.075 4.320 -0.014 0.000 0.218 158 A C 1.867 179.374 177.584 -0.129 0.000 1.188 158 A CA 1.725 53.736 52.037 -0.043 0.000 0.631 158 A CB -0.765 18.193 19.000 -0.070 0.000 0.822 158 A HN 0.634 nan 8.150 nan 0.000 0.447 159 Q N -1.586 118.070 119.800 -0.239 0.000 2.124 159 Q HA 0.044 4.375 4.340 -0.014 0.000 0.202 159 Q C 1.372 177.130 176.000 -0.403 0.000 0.977 159 Q CA 1.255 56.819 55.803 -0.400 0.000 0.850 159 Q CB -0.706 27.575 28.738 -0.762 0.000 0.901 159 Q HN 1.326 nan 8.270 nan 0.000 0.429 160 G N 0.653 109.230 108.800 -0.370 0.000 2.215 160 G HA2 -0.182 3.770 3.960 -0.014 0.000 0.198 160 G HA3 -0.182 3.770 3.960 -0.014 0.000 0.198 160 G C 0.139 174.927 174.900 -0.187 0.000 1.047 160 G CA 0.128 45.107 45.100 -0.202 0.000 0.747 160 G HN 0.328 nan 8.290 nan 0.000 0.495 161 H N -0.333 118.578 119.070 -0.264 0.000 2.548 161 H HA 0.225 4.773 4.556 -0.013 0.000 0.268 161 H C 2.530 177.762 175.328 -0.161 0.000 0.975 161 H CA 0.770 56.595 56.048 -0.372 0.000 1.195 161 H CB 0.175 29.321 29.762 -1.028 0.000 1.397 161 H HN 0.521 nan 8.280 nan 0.000 0.572 162 L N 0.077 121.319 121.223 0.032 0.000 2.509 162 L HA -0.024 4.308 4.340 -0.014 0.000 0.222 162 L C 1.995 178.915 176.870 0.083 0.000 1.123 162 L CA 0.286 55.192 54.840 0.110 0.000 0.856 162 L CB -0.080 42.043 42.059 0.108 0.000 0.985 162 L HN 0.167 nan 8.230 nan 0.000 0.456 163 Q N -0.080 119.754 119.800 0.058 0.000 2.124 163 Q HA -0.155 4.177 4.340 -0.014 0.000 0.202 163 Q C 2.250 178.288 176.000 0.064 0.000 0.977 163 Q CA 1.707 57.539 55.803 0.049 0.000 0.850 163 Q CB -0.141 28.616 28.738 0.032 0.000 0.901 163 Q HN 0.386 nan 8.270 nan 0.000 0.429 164 S N 0.783 116.540 115.700 0.096 0.000 2.474 164 S HA -0.058 4.403 4.470 -0.014 0.000 0.235 164 S C 1.989 176.693 174.600 0.174 0.000 0.997 164 S CA 0.597 58.870 58.200 0.121 0.000 0.949 164 S CB -0.160 63.152 63.200 0.186 0.000 0.766 164 S HN 0.470 nan 8.310 nan 0.000 0.517 165 A N 2.091 125.023 122.820 0.187 0.000 1.948 165 A HA -0.238 4.074 4.320 -0.014 0.000 0.220 165 A C 1.943 179.619 177.584 0.152 0.000 1.177 165 A CA 1.709 53.880 52.037 0.223 0.000 0.636 165 A CB -0.616 18.472 19.000 0.146 0.000 0.815 165 A HN 0.580 nan 8.150 nan 0.000 0.449 166 E N -0.048 120.191 120.200 0.065 0.000 2.114 166 E HA -0.268 4.074 4.350 -0.014 0.000 0.199 166 E C 1.969 178.532 176.600 -0.061 0.000 1.008 166 E CA 1.764 58.170 56.400 0.011 0.000 0.810 166 E CB -0.241 29.457 29.700 -0.003 0.000 0.739 166 E HN 0.672 nan 8.360 nan 0.000 0.456 167 K N -0.071 120.217 120.400 -0.186 0.000 2.147 167 K HA -0.117 4.194 4.320 -0.014 0.000 0.205 167 K C 1.176 177.452 176.600 -0.540 0.000 1.049 167 K CA 1.091 57.105 56.287 -0.454 0.000 0.936 167 K CB -0.051 31.974 32.500 -0.793 0.000 0.722 167 K HN 0.138 nan 8.250 nan 0.000 0.446 168 F N -0.116 119.850 119.950 0.026 0.000 2.647 168 F HA 0.288 4.806 4.527 -0.014 0.000 0.300 168 F C 1.111 176.929 175.800 0.030 0.000 1.106 168 F CA -0.242 57.775 58.000 0.027 0.000 1.313 168 F CB 0.447 39.465 39.000 0.031 0.000 1.007 168 F HN 0.067 nan 8.300 nan 0.000 0.536 169 G N 1.591 110.460 108.800 0.116 0.000 2.258 169 G HA2 -0.320 3.632 3.960 -0.014 0.000 0.274 169 G HA3 -0.320 3.632 3.960 -0.014 0.000 0.274 169 G C 0.219 175.185 174.900 0.110 0.000 1.021 169 G CA -0.042 45.112 45.100 0.089 0.000 0.798 169 G HN 0.401 nan 8.290 nan 0.000 0.507 170 I N 0.734 121.388 120.570 0.141 0.000 2.371 170 I HA 0.149 4.311 4.170 -0.014 0.000 0.290 170 I C 0.815 176.979 176.117 0.077 0.000 1.028 170 I CA -0.731 60.639 61.300 0.118 0.000 1.345 170 I CB 0.912 38.999 38.000 0.145 0.000 1.407 170 I HN 0.118 nan 8.210 nan 0.000 0.501 171 Q N 3.896 123.727 119.800 0.052 0.000 2.330 171 Q HA -0.028 4.304 4.340 -0.014 0.000 0.279 171 Q C 1.375 177.353 176.000 -0.037 0.000 1.024 171 Q CA 0.166 56.003 55.803 0.057 0.000 0.900 171 Q CB 0.942 29.762 28.738 0.138 0.000 1.221 171 Q HN 0.832 nan 8.270 nan 0.000 0.396 172 S N 3.261 118.953 115.700 -0.014 0.000 2.372 172 S HA -0.268 4.194 4.470 -0.014 0.000 0.227 172 S C 1.649 176.163 174.600 -0.143 0.000 1.044 172 S CA 1.844 60.017 58.200 -0.046 0.000 1.050 172 S CB 0.031 63.223 63.200 -0.012 0.000 0.901 172 S HN 0.667 nan 8.310 nan 0.000 0.447 173 R N -0.616 119.703 120.500 -0.302 0.000 2.189 173 R HA 0.112 4.444 4.340 -0.014 0.000 0.218 173 R C 1.567 177.610 176.300 -0.428 0.000 1.074 173 R CA 0.911 56.767 56.100 -0.405 0.000 0.991 173 R CB -0.164 29.733 30.300 -0.671 0.000 0.883 173 R HN 0.394 nan 8.270 nan 0.000 0.457 174 L N -0.458 120.490 121.223 -0.459 0.000 2.509 174 L HA 0.175 4.507 4.340 -0.014 0.000 0.222 174 L C 2.005 178.834 176.870 -0.068 0.000 1.123 174 L CA 0.829 55.416 54.840 -0.422 0.000 0.856 174 L CB -0.073 41.586 42.059 -0.666 0.000 0.985 174 L HN 0.114 nan 8.230 nan 0.000 0.456 175 A N 0.108 122.897 122.820 -0.052 0.000 1.902 175 A HA 0.014 4.325 4.320 -0.014 0.000 0.217 175 A C -1.140 176.485 177.584 0.068 0.000 1.181 175 A CA 0.624 52.687 52.037 0.042 0.000 0.623 175 A CB -1.800 17.231 19.000 0.051 0.000 0.818 175 A HN 0.257 nan 8.150 nan 0.000 0.443 176 P HA 0.296 nan 4.420 nan 0.000 0.271 176 P C -2.722 174.550 177.300 -0.048 0.000 1.218 176 P CA -1.046 62.065 63.100 0.018 0.000 0.780 176 P CB 0.055 31.739 31.700 -0.026 0.000 0.901 177 P HA 0.199 nan 4.420 nan 0.000 0.274 177 P C -0.301 176.865 177.300 -0.223 0.000 1.246 177 P CA -0.300 62.670 63.100 -0.216 0.000 0.795 177 P CB 0.347 31.810 31.700 -0.395 0.000 1.006 178 A N 0.906 123.596 122.820 -0.217 0.000 2.346 178 A HA 0.325 4.637 4.320 -0.014 0.000 0.252 178 A C 0.880 178.309 177.584 -0.258 0.000 1.089 178 A CA 0.114 52.012 52.037 -0.233 0.000 0.797 178 A CB -0.269 18.594 19.000 -0.227 0.000 1.047 178 A HN 0.497 nan 8.150 nan 0.000 0.494 179 V N -1.489 118.252 119.914 -0.287 0.000 3.276 179 V HA 0.406 4.518 4.120 -0.014 0.000 0.319 179 V C 0.046 175.980 176.094 -0.265 0.000 1.427 179 V CA 0.327 62.440 62.300 -0.313 0.000 1.102 179 V CB -1.149 30.349 31.823 -0.541 0.000 1.020 179 V HN 0.823 nan 8.190 nan 0.000 0.456 180 N N -0.341 118.220 118.700 -0.231 0.000 3.356 180 N HA 0.250 4.981 4.740 -0.014 0.000 0.246 180 N C -1.978 173.420 175.510 -0.187 0.000 1.480 180 N CA -0.296 52.643 53.050 -0.185 0.000 0.877 180 N CB 1.923 40.303 38.487 -0.179 0.000 1.431 180 N HN 0.182 nan 8.380 nan 0.000 0.500 181 D N 0.632 120.933 120.400 -0.165 0.000 2.312 181 D HA 0.402 5.033 4.640 -0.014 0.000 0.248 181 D C -2.189 173.972 176.300 -0.231 0.000 1.086 181 D CA -0.835 53.057 54.000 -0.179 0.000 0.948 181 D CB 0.483 41.200 40.800 -0.138 0.000 1.162 181 D HN 0.245 nan 8.370 nan 0.000 0.446 182 P HA 0.125 nan 4.420 nan 0.000 0.268 182 P C 0.816 177.853 177.300 -0.438 0.000 1.205 182 P CA 0.398 63.191 63.100 -0.512 0.000 0.771 182 P CB 0.564 31.876 31.700 -0.647 0.000 0.858 183 G N 1.545 110.084 108.800 -0.435 0.000 2.184 183 G HA2 -0.319 3.633 3.960 -0.014 0.000 0.264 183 G HA3 -0.319 3.633 3.960 -0.014 0.000 0.264 183 G C 1.010 175.882 174.900 -0.047 0.000 0.975 183 G CA 0.529 45.577 45.100 -0.087 0.000 0.642 183 G HN 0.687 nan 8.290 nan 0.000 0.536 184 A N -0.377 122.386 122.820 -0.095 0.000 1.844 184 A HA 0.545 4.857 4.320 -0.014 0.000 0.212 184 A C 1.056 178.624 177.584 -0.026 0.000 1.221 184 A CA 1.715 53.716 52.037 -0.060 0.000 0.607 184 A CB 0.083 19.030 19.000 -0.089 0.000 0.878 184 A HN 0.573 nan 8.150 nan 0.000 0.451 185 E N -2.859 117.313 120.200 -0.046 0.000 2.359 185 E HA 0.352 4.694 4.350 -0.014 0.000 0.266 185 E C -1.693 174.923 176.600 0.026 0.000 0.920 185 E CA -0.893 55.507 56.400 0.000 0.000 0.788 185 E CB 1.514 31.191 29.700 -0.038 0.000 1.279 185 E HN 0.453 nan 8.360 nan 0.000 0.438 186 W N 2.778 124.031 121.300 -0.078 0.000 2.322 186 W HA 0.447 5.098 4.660 -0.015 0.000 0.307 186 W C -1.049 175.400 176.519 -0.117 0.000 1.220 186 W CA -0.050 57.237 57.345 -0.097 0.000 1.210 186 W CB 0.367 29.772 29.460 -0.091 0.000 1.223 186 W HN 0.325 nan 8.180 nan 0.000 0.511 187 I N 8.010 128.112 120.570 -0.781 0.000 2.563 187 I HA 0.018 4.180 4.170 -0.014 0.000 0.285 187 I C -1.072 174.526 176.117 -0.866 0.000 1.123 187 I CA -1.222 59.700 61.300 -0.629 0.000 1.059 187 I CB 1.132 38.916 38.000 -0.360 0.000 1.229 187 I HN 0.225 nan 8.210 nan 0.000 0.442 188 Y N 5.768 125.464 120.300 -1.006 0.000 2.729 188 Y HA 0.455 4.996 4.550 -0.015 0.000 0.331 188 Y C 0.547 176.344 175.900 -0.172 0.000 1.208 188 Y CA 0.445 58.157 58.100 -0.646 0.000 1.521 188 Y CB 0.363 38.759 38.460 -0.107 0.000 1.233 188 Y HN 0.629 nan 8.280 nan 0.000 0.539 189 G N 2.797 111.276 108.800 -0.535 0.000 2.687 189 G HA2 0.492 4.444 3.960 -0.014 0.000 0.291 189 G HA3 0.492 4.444 3.960 -0.014 0.000 0.291 189 G C -0.400 173.629 174.900 -1.452 0.000 1.420 189 G CA -0.438 44.075 45.100 -0.979 0.000 0.796 189 G HN 0.757 nan 8.290 nan 0.000 0.485 190 A N -0.275 121.704 122.820 -1.401 0.000 2.255 190 A HA 0.058 4.370 4.320 -0.014 0.000 0.206 190 A C 1.533 178.912 177.584 -0.342 0.000 1.193 190 A CA 0.989 52.526 52.037 -0.833 0.000 0.794 190 A CB -0.983 17.695 19.000 -0.537 0.000 0.794 190 A HN 0.698 nan 8.150 nan 0.000 0.481 191 N N -0.418 118.103 118.700 -0.298 0.000 2.551 191 N HA -0.025 4.706 4.740 -0.014 0.000 0.199 191 N C 0.665 176.108 175.510 -0.111 0.000 1.277 191 N CA -0.007 52.971 53.050 -0.120 0.000 0.870 191 N CB 0.099 38.457 38.487 -0.215 0.000 1.028 191 N HN 0.302 nan 8.380 nan 0.000 0.452 192 L N 0.495 121.657 121.223 -0.101 0.000 2.664 192 L HA 0.178 4.510 4.340 -0.014 0.000 0.233 192 L C 0.372 177.264 176.870 0.037 0.000 1.113 192 L CA 0.769 55.598 54.840 -0.018 0.000 0.896 192 L CB 0.185 42.266 42.059 0.038 0.000 1.163 192 L HN -0.020 nan 8.230 nan 0.000 0.497 193 D N -1.743 118.639 120.400 -0.030 0.000 2.240 193 D HA -0.144 4.488 4.640 -0.014 0.000 0.206 193 D C 1.805 178.064 176.300 -0.067 0.000 0.963 193 D CA 0.869 54.837 54.000 -0.053 0.000 0.863 193 D CB 0.027 40.655 40.800 -0.287 0.000 0.973 193 D HN 0.198 nan 8.370 nan 0.000 0.501 194 W N 1.833 123.100 121.300 -0.055 0.000 2.381 194 W HA -0.056 4.595 4.660 -0.014 0.000 0.301 194 W C 2.591 179.085 176.519 -0.043 0.000 1.205 194 W CA 0.946 58.259 57.345 -0.054 0.000 1.285 194 W CB -0.269 29.131 29.460 -0.101 0.000 1.133 194 W HN -0.070 nan 8.180 nan 0.000 0.521 195 A N 0.845 123.770 122.820 0.175 0.000 1.903 195 A HA -0.199 4.113 4.320 -0.014 0.000 0.219 195 A C 2.190 179.811 177.584 0.062 0.000 1.191 195 A CA 2.354 54.440 52.037 0.082 0.000 0.638 195 A CB -1.647 17.378 19.000 0.042 0.000 0.823 195 A HN 0.354 nan 8.150 nan 0.000 0.451 196 G N -0.322 108.521 108.800 0.071 0.000 2.491 196 G HA2 -0.280 3.672 3.960 -0.014 0.000 0.218 196 G HA3 -0.280 3.672 3.960 -0.014 0.000 0.218 196 G C 1.659 176.566 174.900 0.011 0.000 1.180 196 G CA 1.279 46.405 45.100 0.043 0.000 0.774 196 G HN 0.424 nan 8.290 nan 0.000 0.562 197 K N 0.221 120.655 120.400 0.057 0.000 1.991 197 K HA -0.030 4.282 4.320 -0.014 0.000 0.212 197 K C 2.487 179.117 176.600 0.049 0.000 1.049 197 K CA 0.977 57.301 56.287 0.063 0.000 0.932 197 K CB -1.153 31.433 32.500 0.143 0.000 0.717 197 K HN 0.377 nan 8.250 nan 0.000 0.441 198 L N 1.157 122.428 121.223 0.080 0.000 2.034 198 L HA -0.271 4.061 4.340 -0.014 0.000 0.217 198 L C 2.249 179.099 176.870 -0.034 0.000 1.077 198 L CA 1.410 56.269 54.840 0.032 0.000 0.769 198 L CB -0.275 41.801 42.059 0.029 0.000 0.890 198 L HN -0.081 nan 8.230 nan 0.000 0.435 199 V N -0.154 119.711 119.914 -0.082 0.000 2.295 199 V HA -0.312 3.800 4.120 -0.014 0.000 0.246 199 V C 2.413 178.396 176.094 -0.186 0.000 1.049 199 V CA 2.252 64.434 62.300 -0.198 0.000 1.024 199 V CB -0.630 31.002 31.823 -0.318 0.000 0.648 199 V HN 0.519 nan 8.190 nan 0.000 0.447 200 E N -0.234 119.889 120.200 -0.130 0.000 2.130 200 E HA -0.237 4.105 4.350 -0.014 0.000 0.196 200 E C 2.439 179.008 176.600 -0.052 0.000 0.998 200 E CA 1.220 57.565 56.400 -0.090 0.000 0.806 200 E CB -0.143 29.512 29.700 -0.076 0.000 0.738 200 E HN 0.550 nan 8.360 nan 0.000 0.459 201 R N -0.110 120.370 120.500 -0.034 0.000 2.112 201 R HA 0.109 4.441 4.340 -0.014 0.000 0.216 201 R C 2.254 178.544 176.300 -0.016 0.000 1.080 201 R CA 0.857 56.950 56.100 -0.012 0.000 0.996 201 R CB -0.178 30.128 30.300 0.010 0.000 0.902 201 R HN 0.066 nan 8.270 nan 0.000 0.449 202 A N 1.310 124.111 122.820 -0.031 0.000 2.014 202 A HA -0.102 4.210 4.320 -0.014 0.000 0.218 202 A C 1.981 179.556 177.584 -0.016 0.000 1.163 202 A CA 1.787 53.808 52.037 -0.026 0.000 0.652 202 A CB -0.357 18.619 19.000 -0.039 0.000 0.808 202 A HN 0.436 nan 8.150 nan 0.000 0.449 203 T N -5.056 109.482 114.554 -0.027 0.000 3.085 203 T HA 0.411 4.752 4.350 -0.014 0.000 0.264 203 T C 1.273 175.993 174.700 0.035 0.000 1.019 203 T CA 0.976 63.089 62.100 0.022 0.000 0.910 203 T CB -0.024 68.869 68.868 0.041 0.000 1.059 203 T HN 1.506 nan 8.240 nan 0.000 0.542 204 G N 1.656 110.463 108.800 0.011 0.000 2.337 204 G HA2 -0.234 3.717 3.960 -0.014 0.000 0.290 204 G HA3 -0.234 3.717 3.960 -0.014 0.000 0.290 204 G C -0.106 174.805 174.900 0.020 0.000 1.003 204 G CA 0.776 45.883 45.100 0.012 0.000 0.825 204 G HN 0.656 nan 8.290 nan 0.000 0.509 205 L N 0.482 121.721 121.223 0.026 0.000 2.381 205 L HA 0.404 4.736 4.340 -0.014 0.000 0.268 205 L C 0.067 176.939 176.870 0.003 0.000 0.997 205 L CA -1.298 53.568 54.840 0.043 0.000 0.818 205 L CB 1.635 43.773 42.059 0.131 0.000 1.310 205 L HN 0.297 nan 8.230 nan 0.000 0.416 206 D N 2.345 122.735 120.400 -0.017 0.000 2.362 206 D HA 0.073 4.705 4.640 -0.014 0.000 0.242 206 D C 0.734 176.998 176.300 -0.060 0.000 1.132 206 D CA -0.501 53.454 54.000 -0.074 0.000 0.907 206 D CB 1.314 42.055 40.800 -0.099 0.000 1.195 206 D HN 0.328 nan 8.370 nan 0.000 0.429 207 L N -1.199 119.931 121.223 -0.155 0.000 2.610 207 L HA 0.163 4.494 4.340 -0.014 0.000 0.232 207 L C 1.750 178.580 176.870 -0.067 0.000 1.149 207 L CA 0.720 55.501 54.840 -0.099 0.000 0.872 207 L CB -1.619 40.344 42.059 -0.161 0.000 0.992 207 L HN 0.418 nan 8.230 nan 0.000 0.447 208 E N 0.882 121.005 120.200 -0.129 0.000 2.028 208 E HA -0.235 4.106 4.350 -0.014 0.000 0.190 208 E C 2.208 178.870 176.600 0.104 0.000 0.984 208 E CA 1.571 58.003 56.400 0.054 0.000 0.800 208 E CB -0.246 29.475 29.700 0.035 0.000 0.758 208 E HN 0.674 nan 8.360 nan 0.000 0.448 209 Q N -1.129 118.710 119.800 0.065 0.000 2.030 209 Q HA -0.228 4.104 4.340 -0.014 0.000 0.204 209 Q C 2.115 178.169 176.000 0.091 0.000 0.986 209 Q CA 1.798 57.641 55.803 0.067 0.000 0.843 209 Q CB -0.432 28.335 28.738 0.049 0.000 0.904 209 Q HN 0.475 nan 8.270 nan 0.000 0.420 210 Y N 0.572 120.881 120.300 0.015 0.000 2.256 210 Y HA -0.278 4.264 4.550 -0.014 0.000 0.288 210 Y C 1.950 177.882 175.900 0.055 0.000 1.155 210 Y CA 1.481 59.597 58.100 0.027 0.000 1.203 210 Y CB -0.137 38.333 38.460 0.017 0.000 0.980 210 Y HN 0.285 nan 8.280 nan 0.000 0.530 211 L N 0.210 121.574 121.223 0.234 0.000 2.027 211 L HA -0.224 4.108 4.340 -0.014 0.000 0.206 211 L C 2.136 179.053 176.870 0.078 0.000 1.074 211 L CA 1.820 56.786 54.840 0.211 0.000 0.745 211 L CB -0.832 41.423 42.059 0.326 0.000 0.898 211 L HN 0.204 nan 8.230 nan 0.000 0.433 212 Q N -0.217 119.621 119.800 0.064 0.000 2.119 212 Q HA -0.200 4.132 4.340 -0.014 0.000 0.201 212 Q C 2.202 178.181 176.000 -0.035 0.000 0.972 212 Q CA 1.769 57.588 55.803 0.026 0.000 0.847 212 Q CB -0.285 28.474 28.738 0.036 0.000 0.903 212 Q HN 0.675 nan 8.270 nan 0.000 0.433 213 E N 0.383 120.529 120.200 -0.091 0.000 2.072 213 E HA -0.038 4.304 4.350 -0.014 0.000 0.190 213 E C 1.314 177.790 176.600 -0.206 0.000 0.982 213 E CA 0.562 56.873 56.400 -0.148 0.000 0.803 213 E CB 0.185 29.773 29.700 -0.187 0.000 0.755 213 E HN 0.366 nan 8.360 nan 0.000 0.453 214 N N -0.746 117.765 118.700 -0.314 0.000 2.205 214 N HA 0.171 4.903 4.740 -0.014 0.000 0.201 214 N C 1.111 176.543 175.510 -0.130 0.000 1.128 214 N CA 0.277 53.139 53.050 -0.313 0.000 0.867 214 N CB 1.271 39.347 38.487 -0.686 0.000 0.996 214 N HN 0.134 nan 8.380 nan 0.000 0.503 215 I N -0.996 119.530 120.570 -0.072 0.000 4.079 215 I HA 0.006 4.168 4.170 -0.014 0.000 0.276 215 I C 1.525 177.633 176.117 -0.015 0.000 1.146 215 I CA 0.167 61.455 61.300 -0.020 0.000 1.324 215 I CB 0.312 38.327 38.000 0.024 0.000 1.638 215 I HN 0.004 nan 8.210 nan 0.000 0.436 216 C N 1.301 120.600 119.300 -0.002 0.000 2.489 216 C HA -0.010 4.442 4.460 -0.014 0.000 0.279 216 C C 3.049 178.035 174.990 -0.006 0.000 1.266 216 C CA 1.144 60.165 59.018 0.005 0.000 1.707 216 C CB -1.065 26.689 27.740 0.024 0.000 2.059 216 C HN 0.592 nan 8.230 nan 0.000 0.481 217 A N 2.043 124.853 122.820 -0.016 0.000 1.869 217 A HA -0.182 4.130 4.320 -0.014 0.000 0.218 217 A C 0.273 177.844 177.584 -0.021 0.000 1.203 217 A CA 2.442 54.467 52.037 -0.020 0.000 0.638 217 A CB -2.104 16.877 19.000 -0.032 0.000 0.831 217 A HN 0.470 nan 8.150 nan 0.000 0.450 218 P HA -0.121 nan 4.420 nan 0.000 0.216 218 P C 0.927 178.217 177.300 -0.016 0.000 1.150 218 P CA 1.023 64.108 63.100 -0.025 0.000 0.843 218 P CB -0.077 31.605 31.700 -0.031 0.000 0.787 219 L N -2.741 118.475 121.223 -0.013 0.000 2.700 219 L HA 0.341 4.673 4.340 -0.014 0.000 0.234 219 L C 0.794 177.664 176.870 -0.000 0.000 1.156 219 L CA -0.026 54.811 54.840 -0.005 0.000 0.946 219 L CB -0.718 41.338 42.059 -0.006 0.000 1.216 219 L HN 0.042 nan 8.230 nan 0.000 0.493 220 G N 2.056 110.854 108.800 -0.003 0.000 2.370 220 G HA2 -0.279 3.673 3.960 -0.014 0.000 0.293 220 G HA3 -0.279 3.673 3.960 -0.014 0.000 0.293 220 G C -0.226 174.677 174.900 0.004 0.000 0.992 220 G CA 0.133 45.233 45.100 -0.000 0.000 1.247 220 G HN 0.326 nan 8.290 nan 0.000 0.505 221 I N 0.023 120.596 120.570 0.006 0.000 2.460 221 I HA 0.527 4.688 4.170 -0.014 0.000 0.298 221 I C 1.250 177.377 176.117 0.017 0.000 0.989 221 I CA -0.302 61.005 61.300 0.013 0.000 1.173 221 I CB 2.050 40.061 38.000 0.018 0.000 1.338 221 I HN 0.239 nan 8.210 nan 0.000 0.456 222 T N -1.773 112.792 114.554 0.018 0.000 3.058 222 T HA 0.105 4.447 4.350 -0.014 0.000 0.278 222 T C 0.317 175.034 174.700 0.029 0.000 0.974 222 T CA -0.268 61.845 62.100 0.021 0.000 0.893 222 T CB -0.189 68.687 68.868 0.013 0.000 1.138 222 T HN 0.653 nan 8.240 nan 0.000 0.529 223 D N 0.518 120.937 120.400 0.033 0.000 2.402 223 D HA 0.367 4.998 4.640 -0.014 0.000 0.216 223 D C 0.189 176.532 176.300 0.072 0.000 1.128 223 D CA -0.465 53.561 54.000 0.044 0.000 0.833 223 D CB -0.040 40.777 40.800 0.029 0.000 0.971 223 D HN 0.269 nan 8.370 nan 0.000 0.503 224 M N 1.092 120.736 119.600 0.073 0.000 2.113 224 M HA 0.458 4.930 4.480 -0.014 0.000 0.352 224 M C -0.890 175.469 176.300 0.099 0.000 1.170 224 M CA 0.287 55.640 55.300 0.089 0.000 1.053 224 M CB 1.533 34.180 32.600 0.079 0.000 1.601 224 M HN -0.032 nan 8.290 nan 0.000 0.459 225 T N 3.133 117.752 114.554 0.107 0.000 2.957 225 T HA 0.398 4.740 4.350 -0.014 0.000 0.336 225 T C -0.196 174.585 174.700 0.135 0.000 1.462 225 T CA -0.527 61.661 62.100 0.147 0.000 1.073 225 T CB 0.563 69.516 68.868 0.141 0.000 1.319 225 T HN 0.530 nan 8.240 nan 0.000 0.485 226 F N 1.814 121.850 119.950 0.143 0.000 2.219 226 F HA 0.351 4.869 4.527 -0.014 0.000 0.294 226 F C 1.746 177.630 175.800 0.140 0.000 1.086 226 F CA 0.478 58.569 58.000 0.151 0.000 1.330 226 F CB 0.385 39.443 39.000 0.097 0.000 1.047 226 F HN 0.241 nan 8.300 nan 0.000 0.495 227 K N 2.245 122.822 120.400 0.294 0.000 2.222 227 K HA 0.127 4.438 4.320 -0.014 0.000 0.243 227 K C 1.033 177.690 176.600 0.096 0.000 1.160 227 K CA 0.006 56.392 56.287 0.164 0.000 1.090 227 K CB 0.845 33.413 32.500 0.113 0.000 1.694 227 K HN 0.222 nan 8.250 nan 0.000 0.361 228 L N 2.375 123.634 121.223 0.060 0.000 2.131 228 L HA -0.183 4.149 4.340 -0.014 0.000 0.206 228 L C 1.916 178.746 176.870 -0.067 0.000 1.087 228 L CA 1.886 56.692 54.840 -0.056 0.000 0.767 228 L CB -0.220 41.664 42.059 -0.292 0.000 0.917 228 L HN 0.538 nan 8.230 nan 0.000 0.441 229 Q N -0.564 119.210 119.800 -0.043 0.000 2.376 229 Q HA -0.246 4.086 4.340 -0.014 0.000 0.211 229 Q C 1.461 177.455 176.000 -0.010 0.000 0.986 229 Q CA 1.579 57.366 55.803 -0.027 0.000 0.886 229 Q CB -0.533 28.204 28.738 -0.002 0.000 0.927 229 Q HN 0.526 nan 8.270 nan 0.000 0.457 230 Q N -0.044 119.759 119.800 0.004 0.000 2.212 230 Q HA 0.190 4.522 4.340 -0.014 0.000 0.213 230 Q C -0.438 175.566 176.000 0.006 0.000 0.874 230 Q CA -0.198 55.611 55.803 0.010 0.000 0.965 230 Q CB 0.659 29.411 28.738 0.023 0.000 1.074 230 Q HN 0.132 nan 8.270 nan 0.000 0.473 231 R N 0.492 120.987 120.500 -0.007 0.000 2.639 231 R HA 0.175 4.507 4.340 -0.014 0.000 0.273 231 R C -2.200 174.089 176.300 -0.019 0.000 1.732 231 R CA -1.572 54.523 56.100 -0.008 0.000 1.586 231 R CB 0.872 31.169 30.300 -0.005 0.000 1.263 231 R HN 0.079 nan 8.270 nan 0.000 0.615 232 P HA -0.230 nan 4.420 nan 0.000 0.215 232 P C 0.497 177.788 177.300 -0.015 0.000 1.157 232 P CA 1.592 64.683 63.100 -0.015 0.000 0.874 232 P CB 0.286 31.981 31.700 -0.009 0.000 0.790 233 D N 1.305 121.699 120.400 -0.010 0.000 2.204 233 D HA -0.255 4.377 4.640 -0.014 0.000 0.189 233 D C 2.068 178.360 176.300 -0.012 0.000 1.006 233 D CA 2.227 56.222 54.000 -0.009 0.000 0.855 233 D CB -1.482 39.316 40.800 -0.004 0.000 0.946 233 D HN 0.335 nan 8.370 nan 0.000 0.448 234 M N -1.297 118.293 119.600 -0.016 0.000 2.516 234 M HA 0.279 4.751 4.480 -0.014 0.000 0.259 234 M C 2.155 178.430 176.300 -0.041 0.000 1.146 234 M CA 0.253 55.541 55.300 -0.020 0.000 1.122 234 M CB -0.009 32.585 32.600 -0.010 0.000 1.341 234 M HN 0.098 nan 8.290 nan 0.000 0.478 235 L N 1.690 122.878 121.223 -0.058 0.000 2.042 235 L HA -0.131 4.201 4.340 -0.014 0.000 0.210 235 L C 2.793 179.633 176.870 -0.051 0.000 1.076 235 L CA 1.773 56.562 54.840 -0.085 0.000 0.749 235 L CB -0.361 41.651 42.059 -0.078 0.000 0.893 235 L HN 0.491 nan 8.230 nan 0.000 0.432 236 A N 0.623 123.426 122.820 -0.029 0.000 1.972 236 A HA -0.217 4.095 4.320 -0.014 0.000 0.219 236 A C 2.087 179.668 177.584 -0.005 0.000 1.169 236 A CA 1.754 53.782 52.037 -0.014 0.000 0.635 236 A CB -0.511 18.483 19.000 -0.010 0.000 0.810 236 A HN 0.694 nan 8.150 nan 0.000 0.446 237 R N 0.123 120.619 120.500 -0.007 0.000 2.427 237 R HA 0.167 4.498 4.340 -0.014 0.000 0.262 237 R C 0.515 176.824 176.300 0.016 0.000 0.943 237 R CA -0.428 55.675 56.100 0.005 0.000 1.081 237 R CB -0.224 30.076 30.300 0.000 0.000 1.166 237 R HN 0.580 nan 8.270 nan 0.000 0.534 238 R N 0.713 121.220 120.500 0.011 0.000 2.827 238 R HA 0.333 4.665 4.340 -0.014 0.000 0.269 238 R C -0.590 175.762 176.300 0.087 0.000 1.048 238 R CA 0.071 56.193 56.100 0.037 0.000 1.173 238 R CB 0.416 30.700 30.300 -0.025 0.000 1.070 238 R HN 0.074 nan 8.270 nan 0.000 0.498 239 A N 2.309 125.213 122.820 0.141 0.000 2.362 239 A HA 0.175 4.487 4.320 -0.014 0.000 0.276 239 A C -0.643 177.053 177.584 0.187 0.000 1.153 239 A CA -0.713 51.420 52.037 0.159 0.000 0.813 239 A CB 0.330 19.438 19.000 0.181 0.000 1.081 239 A HN 0.782 nan 8.150 nan 0.000 0.507 240 D N 1.896 122.404 120.400 0.181 0.000 2.341 240 D HA 0.164 4.796 4.640 -0.014 0.000 0.245 240 D C 0.221 176.616 176.300 0.158 0.000 1.106 240 D CA 0.182 54.305 54.000 0.204 0.000 0.905 240 D CB 0.710 41.706 40.800 0.327 0.000 1.202 240 D HN 0.464 nan 8.370 nan 0.000 0.426 241 Q N 0.656 120.509 119.800 0.087 0.000 2.352 241 Q HA 0.203 4.535 4.340 -0.014 0.000 0.260 241 Q C -0.243 175.763 176.000 0.010 0.000 0.976 241 Q CA 0.450 56.281 55.803 0.048 0.000 0.881 241 Q CB 1.008 29.756 28.738 0.016 0.000 1.235 241 Q HN 0.332 nan 8.270 nan 0.000 0.419 242 T N 2.446 117.034 114.554 0.058 0.000 2.856 242 T HA 0.319 4.661 4.350 -0.014 0.000 0.283 242 T C -0.875 173.867 174.700 0.071 0.000 1.008 242 T CA -0.501 61.640 62.100 0.068 0.000 0.997 242 T CB 1.095 70.015 68.868 0.087 0.000 0.992 242 T HN 0.361 nan 8.240 nan 0.000 0.454 243 H N 2.192 121.254 119.070 -0.013 0.000 2.600 243 H HA 0.458 5.005 4.556 -0.015 0.000 0.357 243 H C -0.571 174.751 175.328 -0.011 0.000 1.106 243 H CA -0.725 55.312 56.048 -0.018 0.000 1.193 243 H CB 1.561 31.306 29.762 -0.030 0.000 1.594 243 H HN 0.549 nan 8.280 nan 0.000 0.526 244 R N 4.330 124.710 120.500 -0.200 0.000 2.349 244 R HA 0.263 4.595 4.340 -0.014 0.000 0.299 244 R C -0.735 175.598 176.300 0.055 0.000 1.027 244 R CA -0.610 55.447 56.100 -0.071 0.000 0.958 244 R CB 0.709 30.915 30.300 -0.156 0.000 1.047 244 R HN 0.649 nan 8.270 nan 0.000 0.468 245 N N 1.916 120.662 118.700 0.078 0.000 2.524 245 N HA 0.040 4.772 4.740 -0.014 0.000 0.283 245 N C 0.291 175.821 175.510 0.033 0.000 1.142 245 N CA -0.362 52.741 53.050 0.087 0.000 0.984 245 N CB 1.696 40.217 38.487 0.056 0.000 1.155 245 N HN 0.593 nan 8.380 nan 0.000 0.467 246 S N 1.104 116.826 115.700 0.037 0.000 2.383 246 S HA -0.130 4.332 4.470 -0.014 0.000 0.227 246 S C 2.018 176.615 174.600 -0.004 0.000 1.026 246 S CA 0.940 59.145 58.200 0.007 0.000 0.981 246 S CB -0.179 63.028 63.200 0.011 0.000 0.818 246 S HN 0.739 nan 8.310 nan 0.000 0.472 247 A N 2.342 125.163 122.820 0.002 0.000 1.858 247 A HA -0.148 4.164 4.320 -0.014 0.000 0.216 247 A C 1.789 179.368 177.584 -0.008 0.000 1.190 247 A CA 1.903 53.937 52.037 -0.004 0.000 0.617 247 A CB -0.714 18.286 19.000 -0.000 0.000 0.827 247 A HN 0.421 nan 8.150 nan 0.000 0.443 248 D N -2.387 118.011 120.400 -0.004 0.000 2.202 248 D HA 0.311 4.942 4.640 -0.014 0.000 0.214 248 D C 1.561 177.851 176.300 -0.018 0.000 0.967 248 D CA 1.692 55.687 54.000 -0.008 0.000 0.871 248 D CB -0.211 40.589 40.800 -0.000 0.000 1.020 248 D HN 0.666 nan 8.370 nan 0.000 0.474 249 G N -0.023 108.764 108.800 -0.022 0.000 2.194 249 G HA2 -0.280 3.672 3.960 -0.014 0.000 0.236 249 G HA3 -0.280 3.672 3.960 -0.014 0.000 0.236 249 G C 0.439 175.319 174.900 -0.033 0.000 0.987 249 G CA -0.090 44.987 45.100 -0.038 0.000 0.635 249 G HN 0.251 nan 8.290 nan 0.000 0.520 250 R N -0.336 120.155 120.500 -0.014 0.000 2.543 250 R HA 0.698 5.029 4.340 -0.014 0.000 0.268 250 R C 0.177 176.484 176.300 0.012 0.000 1.067 250 R CA -0.460 55.639 56.100 -0.002 0.000 1.142 250 R CB 0.534 30.838 30.300 0.007 0.000 1.110 250 R HN 0.318 nan 8.270 nan 0.000 0.549 251 L N -0.420 120.817 121.223 0.024 0.000 2.342 251 L HA 0.685 5.016 4.340 -0.014 0.000 0.271 251 L C -0.294 176.619 176.870 0.072 0.000 1.008 251 L CA -0.866 53.999 54.840 0.042 0.000 0.818 251 L CB 1.513 43.589 42.059 0.028 0.000 1.296 251 L HN 0.605 nan 8.230 nan 0.000 0.427 252 R N 0.367 120.927 120.500 0.100 0.000 2.867 252 R HA 0.563 4.894 4.340 -0.014 0.000 0.268 252 R C -1.051 175.344 176.300 0.159 0.000 1.014 252 R CA -0.955 55.219 56.100 0.125 0.000 0.946 252 R CB 0.975 31.340 30.300 0.108 0.000 1.208 252 R HN 0.609 nan 8.270 nan 0.000 0.477 253 Y N 0.805 121.141 120.300 0.061 0.000 2.459 253 Y HA 0.241 4.782 4.550 -0.014 0.000 0.349 253 Y C -0.470 175.473 175.900 0.071 0.000 1.266 253 Y CA 0.986 59.124 58.100 0.064 0.000 1.483 253 Y CB 0.793 39.282 38.460 0.049 0.000 1.362 253 Y HN 0.838 nan 8.280 nan 0.000 0.628 267 F N 1.742 121.690 119.950 -0.004 0.000 2.375 267 F HA 0.585 5.104 4.527 -0.014 0.000 0.333 267 F C 1.415 177.293 175.800 0.131 0.000 1.104 267 F CA 0.965 58.953 58.000 -0.021 0.000 1.149 267 F CB 0.730 39.715 39.000 -0.024 0.000 1.190 267 F HN 0.421 nan 8.300 nan 0.000 0.533 268 G N 0.211 109.175 108.800 0.274 0.000 2.684 268 G HA2 0.397 4.349 3.960 -0.014 0.000 0.255 268 G HA3 0.397 4.349 3.960 -0.014 0.000 0.255 268 G C 0.911 175.990 174.900 0.298 0.000 1.219 268 G CA -0.002 45.299 45.100 0.334 0.000 0.901 268 G HN 1.285 nan 8.290 nan 0.000 0.548 269 G N -1.137 107.826 108.800 0.271 0.000 2.336 269 G HA2 -0.068 3.883 3.960 -0.014 0.000 0.233 269 G HA3 -0.068 3.883 3.960 -0.014 0.000 0.233 269 G C 0.288 175.335 174.900 0.244 0.000 1.053 269 G CA 1.401 46.641 45.100 0.233 0.000 0.625 269 G HN 1.542 nan 8.290 nan 0.000 0.511 270 Q N -1.988 117.960 119.800 0.246 0.000 2.633 270 Q HA 0.610 4.942 4.340 -0.014 0.000 0.289 270 Q C 0.284 176.393 176.000 0.182 0.000 0.940 270 Q CA 0.113 56.025 55.803 0.182 0.000 0.785 270 Q CB 1.046 29.866 28.738 0.136 0.000 1.467 270 Q HN 2.018 nan 8.270 nan 0.000 0.401 271 G N -0.725 108.106 108.800 0.053 0.000 2.288 271 G HA2 -0.039 3.912 3.960 -0.014 0.000 0.205 271 G HA3 -0.039 3.912 3.960 -0.014 0.000 0.205 271 G C -0.769 174.046 174.900 -0.142 0.000 1.071 271 G CA -0.179 44.937 45.100 0.027 0.000 0.788 271 G HN 0.575 nan 8.290 nan 0.000 0.491 272 V N 0.112 119.837 119.914 -0.314 0.000 2.547 272 V HA 0.783 4.894 4.120 -0.014 0.000 0.299 272 V C -0.058 175.882 176.094 -0.257 0.000 1.040 272 V CA -0.725 61.326 62.300 -0.416 0.000 0.913 272 V CB 1.662 33.213 31.823 -0.454 0.000 0.992 272 V HN 0.252 nan 8.190 nan 0.000 0.449 273 F N 3.108 123.014 119.950 -0.073 0.000 2.426 273 F HA 0.662 5.180 4.527 -0.014 0.000 0.348 273 F C 0.380 176.198 175.800 0.030 0.000 1.124 273 F CA 0.042 58.051 58.000 0.016 0.000 1.008 273 F CB 1.951 40.969 39.000 0.029 0.000 1.139 273 F HN 0.517 nan 8.300 nan 0.000 0.452 274 S N 2.417 118.244 115.700 0.211 0.000 2.579 274 S HA 0.776 5.237 4.470 -0.014 0.000 0.272 274 S C -0.499 174.150 174.600 0.082 0.000 1.141 274 S CA -0.734 57.561 58.200 0.157 0.000 0.843 274 S CB 1.451 64.756 63.200 0.175 0.000 1.122 274 S HN 0.886 nan 8.310 nan 0.000 0.468 275 G N 2.067 110.880 108.800 0.023 0.000 2.398 275 G HA2 0.456 4.407 3.960 -0.014 0.000 0.246 275 G HA3 0.456 4.407 3.960 -0.014 0.000 0.246 275 G C -1.245 173.543 174.900 -0.187 0.000 1.289 275 G CA -1.396 43.649 45.100 -0.091 0.000 0.869 275 G HN 0.598 nan 8.290 nan 0.000 0.543 276 P HA -0.115 nan 4.420 nan 0.000 0.220 276 P C 1.857 179.053 177.300 -0.173 0.000 1.148 276 P CA 1.455 64.159 63.100 -0.659 0.000 0.803 276 P CB 0.144 31.180 31.700 -1.107 0.000 0.782 277 G N 0.001 108.716 108.800 -0.143 0.000 2.422 277 G HA2 -0.202 3.750 3.960 -0.014 0.000 0.218 277 G HA3 -0.202 3.750 3.960 -0.014 0.000 0.218 277 G C 1.732 176.631 174.900 -0.002 0.000 1.146 277 G CA 0.770 45.833 45.100 -0.061 0.000 0.769 277 G HN 0.240 nan 8.290 nan 0.000 0.547 278 S N -0.510 115.198 115.700 0.013 0.000 2.371 278 S HA -0.054 4.408 4.470 -0.014 0.000 0.224 278 S C 1.946 176.592 174.600 0.077 0.000 1.029 278 S CA 0.679 58.903 58.200 0.040 0.000 0.978 278 S CB -0.438 62.789 63.200 0.044 0.000 0.833 278 S HN 0.443 nan 8.310 nan 0.000 0.466 279 Y N 1.842 122.155 120.300 0.022 0.000 2.151 279 Y HA -0.275 4.267 4.550 -0.013 0.000 0.284 279 Y C 2.438 178.370 175.900 0.053 0.000 1.166 279 Y CA 1.903 60.040 58.100 0.062 0.000 1.163 279 Y CB -0.384 38.178 38.460 0.170 0.000 0.974 279 Y HN 0.188 nan 8.280 nan 0.000 0.511 280 M N 0.789 120.500 119.600 0.185 0.000 2.082 280 M HA -0.270 4.201 4.480 -0.014 0.000 0.258 280 M C 1.982 178.309 176.300 0.046 0.000 1.071 280 M CA 1.986 57.357 55.300 0.119 0.000 1.103 280 M CB -0.590 32.059 32.600 0.082 0.000 1.307 280 M HN 0.114 nan 8.290 nan 0.000 0.409 281 K N -0.937 119.482 120.400 0.033 0.000 2.107 281 K HA -0.221 4.091 4.320 -0.014 0.000 0.211 281 K C 1.847 178.464 176.600 0.030 0.000 1.049 281 K CA 1.935 58.253 56.287 0.051 0.000 0.927 281 K CB -0.808 31.709 32.500 0.027 0.000 0.714 281 K HN 0.321 nan 8.250 nan 0.000 0.452 282 V N 1.645 121.517 119.914 -0.070 0.000 2.261 282 V HA -0.236 3.876 4.120 -0.014 0.000 0.246 282 V C 2.234 178.253 176.094 -0.126 0.000 1.047 282 V CA 1.636 63.846 62.300 -0.150 0.000 1.015 282 V CB -0.389 31.228 31.823 -0.343 0.000 0.642 282 V HN 0.283 nan 8.190 nan 0.000 0.446 283 L N -0.725 120.415 121.223 -0.138 0.000 2.187 283 L HA -0.227 4.105 4.340 -0.014 0.000 0.213 283 L C 2.541 179.471 176.870 0.101 0.000 1.100 283 L CA 1.532 56.346 54.840 -0.043 0.000 0.765 283 L CB -0.695 41.387 42.059 0.039 0.000 0.904 283 L HN 0.452 nan 8.230 nan 0.000 0.437 284 H N 0.055 119.118 119.070 -0.012 0.000 2.268 284 H HA -0.132 4.416 4.556 -0.014 0.000 0.304 284 H C 2.525 177.850 175.328 -0.005 0.000 1.064 284 H CA 1.578 57.629 56.048 0.005 0.000 1.316 284 H CB -0.311 29.456 29.762 0.007 0.000 1.386 284 H HN 0.330 nan 8.280 nan 0.000 0.496 285 S N 0.423 116.123 115.700 0.001 0.000 2.380 285 S HA -0.198 4.264 4.470 -0.014 0.000 0.229 285 S C 2.418 176.985 174.600 -0.056 0.000 1.043 285 S CA 1.650 59.804 58.200 -0.076 0.000 1.038 285 S CB -0.944 62.231 63.200 -0.042 0.000 0.872 285 S HN 0.403 nan 8.310 nan 0.000 0.456 286 L N 0.421 121.636 121.223 -0.012 0.000 1.994 286 L HA -0.072 4.260 4.340 -0.014 0.000 0.208 286 L C 2.731 179.612 176.870 0.018 0.000 1.071 286 L CA 1.540 56.395 54.840 0.025 0.000 0.745 286 L CB -0.761 41.336 42.059 0.064 0.000 0.892 286 L HN 0.351 nan 8.230 nan 0.000 0.431 287 L N 1.135 122.380 121.223 0.037 0.000 2.043 287 L HA -0.225 4.107 4.340 -0.014 0.000 0.212 287 L C 1.989 178.823 176.870 -0.060 0.000 1.075 287 L CA 1.966 56.815 54.840 0.016 0.000 0.752 287 L CB -0.587 41.523 42.059 0.086 0.000 0.891 287 L HN 0.317 nan 8.230 nan 0.000 0.432 288 K N -0.049 120.291 120.400 -0.099 0.000 2.814 288 K HA 0.198 4.510 4.320 -0.014 0.000 0.213 288 K C 0.257 176.792 176.600 -0.107 0.000 1.113 288 K CA -0.102 56.109 56.287 -0.127 0.000 1.145 288 K CB 0.013 32.378 32.500 -0.225 0.000 0.948 288 K HN 0.396 nan 8.250 nan 0.000 0.464 289 R N 0.593 121.044 120.500 -0.082 0.000 3.973 289 R HA -0.250 4.082 4.340 -0.014 0.000 0.322 289 R C 0.207 176.474 176.300 -0.056 0.000 1.238 289 R CA 1.947 58.010 56.100 -0.062 0.000 0.937 289 R CB -2.719 27.545 30.300 -0.060 0.000 1.340 289 R HN 0.697 nan 8.270 nan 0.000 0.552 290 D N 0.692 121.049 120.400 -0.072 0.000 2.351 290 D HA -0.060 4.572 4.640 -0.014 0.000 0.216 290 D C 1.464 177.738 176.300 -0.044 0.000 0.968 290 D CA 1.534 55.493 54.000 -0.068 0.000 0.899 290 D CB -0.542 40.201 40.800 -0.095 0.000 0.907 290 D HN 0.743 nan 8.370 nan 0.000 0.514 291 G N 0.147 108.926 108.800 -0.034 0.000 2.168 291 G HA2 -0.334 3.617 3.960 -0.014 0.000 0.263 291 G HA3 -0.334 3.617 3.960 -0.014 0.000 0.263 291 G C 0.909 175.798 174.900 -0.018 0.000 0.977 291 G CA 0.609 45.696 45.100 -0.020 0.000 0.659 291 G HN 0.389 nan 8.290 nan 0.000 0.533 292 L N -0.467 120.741 121.223 -0.024 0.000 2.093 292 L HA 0.148 4.480 4.340 -0.014 0.000 0.208 292 L C 2.534 179.393 176.870 -0.018 0.000 1.085 292 L CA 2.604 57.431 54.840 -0.022 0.000 0.755 292 L CB -0.232 41.812 42.059 -0.025 0.000 0.904 292 L HN 0.574 nan 8.230 nan 0.000 0.435 293 L N -5.316 115.898 121.223 -0.015 0.000 2.878 293 L HA 0.468 4.800 4.340 -0.014 0.000 0.253 293 L C 0.039 176.913 176.870 0.008 0.000 1.135 293 L CA 0.177 55.012 54.840 -0.008 0.000 0.943 293 L CB -0.071 41.980 42.059 -0.013 0.000 1.307 293 L HN -0.119 nan 8.230 nan 0.000 0.545 294 L N -0.478 120.750 121.223 0.008 0.000 2.502 294 L HA 0.592 4.924 4.340 -0.014 0.000 0.253 294 L C -1.209 175.670 176.870 0.014 0.000 1.070 294 L CA -0.269 54.583 54.840 0.020 0.000 0.871 294 L CB 2.101 44.177 42.059 0.029 0.000 1.487 294 L HN 0.160 nan 8.230 nan 0.000 0.408 295 Q N 1.392 121.204 119.800 0.020 0.000 2.357 295 Q HA 0.369 4.701 4.340 -0.014 0.000 0.266 295 Q C -1.951 174.058 176.000 0.016 0.000 1.021 295 Q CA -1.740 54.071 55.803 0.013 0.000 0.784 295 Q CB 1.945 30.692 28.738 0.015 0.000 1.243 295 Q HN 0.299 nan 8.270 nan 0.000 0.465 296 P HA -0.330 nan 4.420 nan 0.000 0.226 296 P C 0.579 177.886 177.300 0.011 0.000 1.154 296 P CA 1.650 64.751 63.100 0.001 0.000 0.901 296 P CB 0.379 32.071 31.700 -0.012 0.000 0.788 297 Q N -1.546 118.262 119.800 0.013 0.000 2.061 297 Q HA -0.149 4.183 4.340 -0.014 0.000 0.204 297 Q C 2.273 178.295 176.000 0.035 0.000 0.984 297 Q CA 2.525 58.340 55.803 0.019 0.000 0.846 297 Q CB -1.533 27.214 28.738 0.015 0.000 0.902 297 Q HN 0.431 nan 8.270 nan 0.000 0.421 298 T N -2.759 111.818 114.554 0.038 0.000 3.023 298 T HA 0.000 4.342 4.350 -0.014 0.000 0.266 298 T C 1.806 176.550 174.700 0.074 0.000 1.093 298 T CA 0.812 62.941 62.100 0.048 0.000 1.129 298 T CB -0.294 68.598 68.868 0.040 0.000 0.899 298 T HN 0.038 nan 8.240 nan 0.000 0.491 299 V N 2.310 122.273 119.914 0.081 0.000 2.358 299 V HA -0.118 3.994 4.120 -0.014 0.000 0.246 299 V C 2.585 178.807 176.094 0.215 0.000 1.047 299 V CA 1.990 64.373 62.300 0.139 0.000 1.035 299 V CB -0.603 31.282 31.823 0.103 0.000 0.658 299 V HN 0.466 nan 8.190 nan 0.000 0.452 300 D N 0.130 120.601 120.400 0.120 0.000 2.133 300 D HA -0.192 4.440 4.640 -0.014 0.000 0.195 300 D C 2.172 178.581 176.300 0.181 0.000 0.997 300 D CA 1.225 55.295 54.000 0.117 0.000 0.840 300 D CB -0.280 40.548 40.800 0.047 0.000 0.947 300 D HN 0.310 nan 8.370 nan 0.000 0.452 301 L N 0.171 121.473 121.223 0.131 0.000 2.012 301 L HA -0.201 4.131 4.340 -0.014 0.000 0.210 301 L C 2.603 179.544 176.870 0.119 0.000 1.073 301 L CA 1.024 55.928 54.840 0.106 0.000 0.748 301 L CB -0.306 41.795 42.059 0.070 0.000 0.891 301 L HN 0.097 nan 8.230 nan 0.000 0.431 302 M N -1.379 118.302 119.600 0.135 0.000 2.144 302 M HA -0.273 4.198 4.480 -0.014 0.000 0.260 302 M C 1.864 178.125 176.300 -0.065 0.000 1.067 302 M CA 1.939 57.258 55.300 0.031 0.000 1.095 302 M CB -0.387 32.217 32.600 0.007 0.000 1.365 302 M HN 0.113 nan 8.290 nan 0.000 0.406 303 F N -0.260 119.705 119.950 0.024 0.000 2.789 303 F HA 0.038 4.557 4.527 -0.013 0.000 0.300 303 F C 0.991 176.799 175.800 0.012 0.000 1.132 303 F CA 0.099 58.110 58.000 0.017 0.000 1.404 303 F CB -0.131 38.882 39.000 0.022 0.000 1.114 303 F HN 0.031 nan 8.300 nan 0.000 0.584 304 Q N 1.724 121.618 119.800 0.156 0.000 2.296 304 Q HA 0.175 4.507 4.340 -0.014 0.000 0.262 304 Q C -2.330 173.710 176.000 0.067 0.000 0.981 304 Q CA -2.426 53.437 55.803 0.099 0.000 0.905 304 Q CB 0.095 28.881 28.738 0.080 0.000 1.186 304 Q HN 0.012 nan 8.270 nan 0.000 0.399 305 P HA 0.062 nan 4.420 nan 0.000 0.269 305 P C -0.120 177.220 177.300 0.067 0.000 1.263 305 P CA 0.169 63.300 63.100 0.051 0.000 0.813 305 P CB 0.556 32.279 31.700 0.038 0.000 0.868 306 A N 5.265 128.143 122.820 0.096 0.000 2.066 306 A HA -0.014 4.297 4.320 -0.014 0.000 0.218 306 A C 1.023 178.667 177.584 0.099 0.000 1.157 306 A CA 0.678 52.775 52.037 0.100 0.000 0.670 306 A CB -0.452 18.630 19.000 0.135 0.000 0.804 306 A HN 0.414 nan 8.150 nan 0.000 0.453 307 L N 1.919 123.209 121.223 0.111 0.000 2.418 307 L HA 0.120 4.451 4.340 -0.014 0.000 0.274 307 L C 0.084 176.995 176.870 0.068 0.000 1.135 307 L CA 0.206 55.107 54.840 0.101 0.000 0.870 307 L CB -0.115 41.997 42.059 0.088 0.000 1.154 307 L HN 0.413 nan 8.230 nan 0.000 0.462 308 E N 5.499 125.739 120.200 0.067 0.000 2.438 308 E HA -0.045 4.297 4.350 -0.014 0.000 0.261 308 E C -1.460 175.166 176.600 0.042 0.000 1.103 308 E CA -0.760 55.670 56.400 0.050 0.000 0.959 308 E CB 0.191 29.921 29.700 0.050 0.000 0.958 308 E HN 0.401 nan 8.360 nan 0.000 0.447 309 P HA -0.227 nan 4.420 nan 0.000 0.215 309 P C 1.179 178.495 177.300 0.027 0.000 1.157 309 P CA 1.341 64.457 63.100 0.026 0.000 0.868 309 P CB 0.134 31.847 31.700 0.022 0.000 0.788 310 R N 0.317 120.834 120.500 0.030 0.000 2.148 310 R HA -0.006 4.325 4.340 -0.014 0.000 0.223 310 R C 1.982 178.305 176.300 0.039 0.000 1.088 310 R CA 1.255 57.373 56.100 0.030 0.000 0.985 310 R CB -1.450 28.866 30.300 0.027 0.000 0.880 310 R HN 0.230 nan 8.270 nan 0.000 0.451 311 L N 1.437 122.688 121.223 0.048 0.000 2.027 311 L HA -0.151 4.181 4.340 -0.014 0.000 0.206 311 L C 2.627 179.531 176.870 0.056 0.000 1.074 311 L CA 2.059 56.939 54.840 0.066 0.000 0.745 311 L CB -0.422 41.688 42.059 0.085 0.000 0.898 311 L HN 0.338 nan 8.230 nan 0.000 0.433 312 E N -0.689 119.533 120.200 0.036 0.000 2.268 312 E HA -0.235 4.107 4.350 -0.014 0.000 0.195 312 E C 1.915 178.513 176.600 -0.004 0.000 0.995 312 E CA 0.928 57.331 56.400 0.004 0.000 0.836 312 E CB -0.113 29.590 29.700 0.005 0.000 0.763 312 E HN 0.343 nan 8.360 nan 0.000 0.491 313 E N 1.149 121.359 120.200 0.016 0.000 2.051 313 E HA -0.191 4.151 4.350 -0.014 0.000 0.189 313 E C 2.203 178.822 176.600 0.032 0.000 0.979 313 E CA 1.531 57.942 56.400 0.018 0.000 0.803 313 E CB -0.027 29.686 29.700 0.022 0.000 0.761 313 E HN 0.606 nan 8.360 nan 0.000 0.451 314 Q N 0.272 120.101 119.800 0.049 0.000 2.170 314 Q HA -0.140 4.191 4.340 -0.014 0.000 0.203 314 Q C 2.163 178.227 176.000 0.106 0.000 0.976 314 Q CA 1.870 57.719 55.803 0.077 0.000 0.858 314 Q CB -0.501 28.284 28.738 0.079 0.000 0.907 314 Q HN 0.214 nan 8.270 nan 0.000 0.433 315 M N 0.431 120.069 119.600 0.064 0.000 2.064 315 M HA -0.161 4.311 4.480 -0.014 0.000 0.260 315 M C 1.338 177.625 176.300 -0.022 0.000 1.073 315 M CA 1.766 57.073 55.300 0.011 0.000 1.124 315 M CB -0.252 32.224 32.600 -0.208 0.000 1.326 315 M HN 0.306 nan 8.290 nan 0.000 0.410 316 N N 0.705 119.376 118.700 -0.049 0.000 2.060 316 N HA -0.241 4.491 4.740 -0.014 0.000 0.195 316 N C 1.679 177.191 175.510 0.005 0.000 1.028 316 N CA 1.726 54.752 53.050 -0.041 0.000 0.861 316 N CB -0.639 37.829 38.487 -0.031 0.000 1.029 316 N HN 0.567 nan 8.380 nan 0.000 0.428 317 Q N -0.220 119.607 119.800 0.045 0.000 2.061 317 Q HA -0.206 4.126 4.340 -0.014 0.000 0.204 317 Q C 2.007 178.074 176.000 0.112 0.000 0.984 317 Q CA 1.548 57.394 55.803 0.071 0.000 0.846 317 Q CB -0.400 28.388 28.738 0.083 0.000 0.902 317 Q HN 0.583 nan 8.270 nan 0.000 0.421 318 H N 0.731 119.839 119.070 0.063 0.000 2.290 318 H HA -0.074 4.473 4.556 -0.014 0.000 0.298 318 H C 1.972 177.371 175.328 0.117 0.000 1.087 318 H CA 2.050 58.164 56.048 0.109 0.000 1.291 318 H CB -0.214 29.641 29.762 0.154 0.000 1.369 318 H HN 0.103 nan 8.280 nan 0.000 0.492 319 M N 0.081 119.598 119.600 -0.138 0.000 2.159 319 M HA -0.139 4.333 4.480 -0.014 0.000 0.263 319 M C 1.528 177.773 176.300 -0.091 0.000 1.063 319 M CA 1.590 56.797 55.300 -0.156 0.000 1.110 319 M CB -0.173 32.374 32.600 -0.087 0.000 1.374 319 M HN 0.327 nan 8.290 nan 0.000 0.411 320 D N 0.954 121.325 120.400 -0.048 0.000 2.117 320 D HA -0.065 4.567 4.640 -0.014 0.000 0.198 320 D C 1.978 178.267 176.300 -0.018 0.000 0.982 320 D CA 1.563 55.548 54.000 -0.025 0.000 0.828 320 D CB -0.194 40.604 40.800 -0.004 0.000 0.967 320 D HN 0.331 nan 8.370 nan 0.000 0.464 321 A N 0.521 123.340 122.820 -0.001 0.000 2.121 321 A HA -0.041 4.271 4.320 -0.014 0.000 0.218 321 A C 1.190 178.792 177.584 0.031 0.000 1.154 321 A CA 0.930 52.989 52.037 0.037 0.000 0.679 321 A CB -0.150 18.904 19.000 0.090 0.000 0.795 321 A HN 0.218 nan 8.150 nan 0.000 0.458 322 S N -0.667 114.984 115.700 -0.081 0.000 2.252 322 S HA 0.418 4.880 4.470 -0.014 0.000 0.180 322 S C -1.808 172.626 174.600 -0.277 0.000 1.534 322 S CA -1.003 57.074 58.200 -0.205 0.000 1.141 322 S CB 1.068 64.071 63.200 -0.328 0.000 1.122 322 S HN 0.313 nan 8.310 nan 0.000 0.475 323 P HA -0.110 nan 4.420 nan 0.000 0.227 323 P C 1.382 178.621 177.300 -0.102 0.000 1.161 323 P CA 0.865 63.911 63.100 -0.091 0.000 0.788 323 P CB -0.242 31.449 31.700 -0.015 0.000 0.822 324 H N -0.337 118.706 119.070 -0.045 0.000 2.457 324 H HA 0.054 4.604 4.556 -0.010 0.000 0.294 324 H C 1.832 177.135 175.328 -0.042 0.000 1.064 324 H CA 0.648 56.671 56.048 -0.042 0.000 1.330 324 H CB -0.935 28.814 29.762 -0.023 0.000 1.395 324 H HN 0.160 nan 8.280 nan 0.000 0.541 325 I N 0.758 121.005 120.570 -0.539 0.000 2.296 325 I HA -0.154 4.008 4.170 -0.014 0.000 0.242 325 I C 0.424 176.399 176.117 -0.235 0.000 1.087 325 I CA 0.647 61.697 61.300 -0.417 0.000 1.393 325 I CB -0.379 37.197 38.000 -0.707 0.000 1.093 325 I HN 0.159 nan 8.210 nan 0.000 0.421 326 N N 0.678 119.218 118.700 -0.267 0.000 2.608 326 N HA -0.254 4.478 4.740 -0.014 0.000 0.273 326 N C 0.169 175.706 175.510 0.046 0.000 1.133 326 N CA 0.347 53.348 53.050 -0.081 0.000 0.726 326 N CB -1.275 37.171 38.487 -0.068 0.000 0.890 326 N HN 0.308 nan 8.380 nan 0.000 0.548 327 Y N -0.356 119.940 120.300 -0.005 0.000 2.274 327 Y HA -0.034 4.508 4.550 -0.013 0.000 0.290 327 Y C 2.381 178.252 175.900 -0.047 0.000 1.145 327 Y CA 1.483 59.525 58.100 -0.096 0.000 1.203 327 Y CB -0.311 38.089 38.460 -0.100 0.000 0.984 327 Y HN 0.515 nan 8.280 nan 0.000 0.533 328 G N -0.712 108.158 108.800 0.116 0.000 2.422 328 G HA2 0.100 4.052 3.960 -0.014 0.000 0.218 328 G HA3 0.100 4.052 3.960 -0.014 0.000 0.218 328 G C 1.635 176.552 174.900 0.028 0.000 1.146 328 G CA 1.123 46.242 45.100 0.031 0.000 0.769 328 G HN 0.689 nan 8.290 nan 0.000 0.547 329 G N 0.493 109.326 108.800 0.055 0.000 3.487 329 G HA2 -0.296 3.656 3.960 -0.014 0.000 0.295 329 G HA3 -0.296 3.656 3.960 -0.014 0.000 0.295 329 G C -0.521 174.312 174.900 -0.112 0.000 1.454 329 G CA 0.852 45.916 45.100 -0.061 0.000 1.039 329 G HN 0.518 nan 8.290 nan 0.000 0.624 330 P HA 0.219 nan 4.420 nan 0.000 0.245 330 P C 1.139 178.559 177.300 0.201 0.000 1.199 330 P CA 1.077 64.229 63.100 0.086 0.000 0.807 330 P CB -0.009 31.805 31.700 0.191 0.000 1.002 331 M N -0.929 118.717 119.600 0.077 0.000 2.288 331 M HA 0.593 5.064 4.480 -0.014 0.000 0.334 331 M C -2.473 173.841 176.300 0.024 0.000 1.150 331 M CA -2.332 52.964 55.300 -0.007 0.000 1.118 331 M CB -0.371 32.084 32.600 -0.242 0.000 1.501 331 M HN -0.382 nan 8.290 nan 0.000 0.462 332 P HA -0.109 nan 4.420 nan 0.000 0.262 332 P C 0.511 177.811 177.300 0.002 0.000 1.151 332 P CA 0.399 63.526 63.100 0.045 0.000 0.757 332 P CB 0.269 31.989 31.700 0.033 0.000 0.754 333 M N 2.146 121.747 119.600 0.002 0.000 2.117 333 M HA -0.061 4.411 4.480 -0.014 0.000 0.262 333 M C 0.638 176.928 176.300 -0.017 0.000 1.065 333 M CA 1.538 56.829 55.300 -0.015 0.000 1.114 333 M CB -0.600 31.989 32.600 -0.018 0.000 1.361 333 M HN 0.045 nan 8.290 nan 0.000 0.408 334 V N 2.029 121.937 119.914 -0.010 0.000 2.383 334 V HA 0.474 4.585 4.120 -0.014 0.000 0.275 334 V C -0.067 176.017 176.094 -0.017 0.000 1.036 334 V CA -0.337 61.955 62.300 -0.012 0.000 0.889 334 V CB 1.849 33.669 31.823 -0.005 0.000 0.985 334 V HN 0.275 nan 8.190 nan 0.000 0.459 335 L N 4.484 125.689 121.223 -0.029 0.000 2.622 335 L HA 0.575 4.907 4.340 -0.014 0.000 0.258 335 L C -0.714 176.131 176.870 -0.043 0.000 0.996 335 L CA -0.885 53.931 54.840 -0.040 0.000 0.858 335 L CB 2.633 44.655 42.059 -0.062 0.000 1.449 335 L HN 0.624 nan 8.230 nan 0.000 0.411 336 R N 2.562 123.037 120.500 -0.043 0.000 2.198 336 R HA 0.572 4.903 4.340 -0.014 0.000 0.339 336 R C -1.200 175.067 176.300 -0.055 0.000 1.020 336 R CA -0.352 55.724 56.100 -0.041 0.000 0.864 336 R CB 0.716 30.999 30.300 -0.027 0.000 1.105 336 R HN 0.540 nan 8.270 nan 0.000 0.463 337 R N 1.742 122.202 120.500 -0.066 0.000 2.912 337 R HA 0.543 4.875 4.340 -0.014 0.000 0.262 337 R C -0.840 175.414 176.300 -0.076 0.000 1.057 337 R CA -0.813 55.239 56.100 -0.080 0.000 0.981 337 R CB 1.832 32.068 30.300 -0.106 0.000 1.201 337 R HN 0.498 nan 8.270 nan 0.000 0.484 338 S N -0.715 114.945 115.700 -0.067 0.000 2.900 338 S HA 0.740 5.202 4.470 -0.014 0.000 0.320 338 S C -1.710 172.883 174.600 -0.011 0.000 1.130 338 S CA -0.591 57.586 58.200 -0.039 0.000 0.863 338 S CB 0.773 63.972 63.200 -0.002 0.000 1.295 338 S HN 0.347 nan 8.310 nan 0.000 0.596 339 F N -0.296 119.589 119.950 -0.108 0.000 2.588 339 F HA 0.728 5.247 4.527 -0.014 0.000 0.310 339 F C 0.430 176.234 175.800 0.008 0.000 1.082 339 F CA 0.073 58.037 58.000 -0.060 0.000 0.929 339 F CB 1.703 40.678 39.000 -0.043 0.000 1.254 339 F HN 0.696 nan 8.300 nan 0.000 0.455 340 G N 2.615 111.330 108.800 -0.142 0.000 3.414 340 G HA2 0.444 4.396 3.960 -0.014 0.000 0.189 340 G HA3 0.444 4.396 3.960 -0.014 0.000 0.189 340 G C -1.287 173.694 174.900 0.135 0.000 1.329 340 G CA -0.681 44.412 45.100 -0.012 0.000 0.851 340 G HN 0.517 nan 8.290 nan 0.000 0.671 341 L N 1.074 122.303 121.223 0.009 0.000 2.408 341 L HA 0.583 4.914 4.340 -0.014 0.000 0.257 341 L C 0.820 177.709 176.870 0.033 0.000 1.053 341 L CA 0.216 55.111 54.840 0.093 0.000 0.922 341 L CB 1.064 43.161 42.059 0.064 0.000 1.261 341 L HN 0.962 nan 8.230 nan 0.000 0.458 342 G N 1.004 109.857 108.800 0.089 0.000 2.901 342 G HA2 0.052 4.004 3.960 -0.014 0.000 0.194 342 G HA3 0.052 4.004 3.960 -0.014 0.000 0.194 342 G C 0.163 175.072 174.900 0.015 0.000 1.020 342 G CA -0.107 45.053 45.100 0.099 0.000 0.787 342 G HN 0.865 nan 8.290 nan 0.000 0.477 343 G N -0.600 107.919 108.800 -0.469 0.000 2.561 343 G HA2 0.570 4.522 3.960 -0.014 0.000 0.310 343 G HA3 0.570 4.522 3.960 -0.014 0.000 0.310 343 G C -1.160 172.930 174.900 -1.350 0.000 1.292 343 G CA -0.407 44.277 45.100 -0.693 0.000 0.811 343 G HN 0.536 nan 8.290 nan 0.000 0.482 344 I N 0.630 120.863 120.570 -0.563 0.000 2.532 344 I HA 0.430 4.592 4.170 -0.014 0.000 0.292 344 I C -0.088 175.851 176.117 -0.297 0.000 1.014 344 I CA -0.260 60.817 61.300 -0.372 0.000 1.340 344 I CB 1.094 39.040 38.000 -0.089 0.000 1.422 344 I HN 0.253 nan 8.210 nan 0.000 0.528 345 I N 3.740 124.179 120.570 -0.218 0.000 2.418 345 I HA 0.333 4.495 4.170 -0.014 0.000 0.287 345 I C 0.320 176.381 176.117 -0.094 0.000 1.008 345 I CA -0.801 60.419 61.300 -0.134 0.000 1.104 345 I CB 1.945 39.886 38.000 -0.098 0.000 1.264 345 I HN 0.629 nan 8.210 nan 0.000 0.438 346 A N 7.086 129.855 122.820 -0.085 0.000 2.473 346 A HA 0.272 4.583 4.320 -0.014 0.000 0.282 346 A C 1.061 178.612 177.584 -0.055 0.000 1.163 346 A CA -0.042 51.940 52.037 -0.091 0.000 0.827 346 A CB 0.009 18.932 19.000 -0.128 0.000 1.098 346 A HN 0.891 nan 8.150 nan 0.000 0.515 347 L N 1.498 122.692 121.223 -0.049 0.000 2.109 347 L HA -0.035 4.297 4.340 -0.014 0.000 0.207 347 L C 1.696 178.552 176.870 -0.023 0.000 1.086 347 L CA 1.207 56.031 54.840 -0.027 0.000 0.760 347 L CB -0.162 41.882 42.059 -0.025 0.000 0.910 347 L HN 0.946 nan 8.230 nan 0.000 0.437 348 E N -0.917 119.262 120.200 -0.035 0.000 2.285 348 E HA 0.138 4.480 4.350 -0.014 0.000 0.254 348 E C -0.849 175.724 176.600 -0.045 0.000 1.011 348 E CA -0.893 55.489 56.400 -0.029 0.000 0.873 348 E CB 1.152 30.837 29.700 -0.024 0.000 1.229 348 E HN -0.127 nan 8.360 nan 0.000 0.422 349 D N 0.485 120.866 120.400 -0.032 0.000 2.312 349 D HA 0.092 4.723 4.640 -0.014 0.000 0.252 349 D C 0.894 177.159 176.300 -0.059 0.000 1.150 349 D CA -0.215 53.762 54.000 -0.038 0.000 0.870 349 D CB 1.429 42.227 40.800 -0.004 0.000 1.153 349 D HN 0.336 nan 8.370 nan 0.000 0.457 350 L N 2.749 123.895 121.223 -0.129 0.000 2.093 350 L HA -0.083 4.249 4.340 -0.014 0.000 0.208 350 L C 0.955 177.832 176.870 0.010 0.000 1.085 350 L CA 1.459 56.194 54.840 -0.174 0.000 0.755 350 L CB -0.109 41.625 42.059 -0.541 0.000 0.904 350 L HN 0.440 nan 8.230 nan 0.000 0.435 351 D N -1.398 119.043 120.400 0.068 0.000 2.881 351 D HA 0.368 4.999 4.640 -0.014 0.000 0.238 351 D C 0.419 176.778 176.300 0.099 0.000 1.368 351 D CA 0.583 54.660 54.000 0.128 0.000 0.871 351 D CB -0.197 40.745 40.800 0.237 0.000 1.516 351 D HN 0.222 nan 8.370 nan 0.000 0.544 352 G N 2.820 111.659 108.800 0.066 0.000 2.614 352 G HA2 -0.353 3.599 3.960 -0.014 0.000 0.303 352 G HA3 -0.353 3.599 3.960 -0.014 0.000 0.303 352 G C 0.695 175.641 174.900 0.077 0.000 1.270 352 G CA 0.590 45.727 45.100 0.062 0.000 0.988 352 G HN 0.445 nan 8.290 nan 0.000 0.551 353 E N 1.254 121.504 120.200 0.084 0.000 2.465 353 E HA 0.212 4.554 4.350 -0.014 0.000 0.191 353 E C 2.004 178.693 176.600 0.148 0.000 1.053 353 E CA 0.437 56.902 56.400 0.109 0.000 0.869 353 E CB 0.067 29.818 29.700 0.084 0.000 0.977 353 E HN 0.432 nan 8.360 nan 0.000 0.483 354 N N -0.583 118.198 118.700 0.134 0.000 2.290 354 N HA -0.033 4.698 4.740 -0.014 0.000 0.179 354 N C 0.083 175.690 175.510 0.161 0.000 1.016 354 N CA 0.661 53.788 53.050 0.130 0.000 0.871 354 N CB 0.116 38.651 38.487 0.081 0.000 0.987 354 N HN 0.158 nan 8.380 nan 0.000 0.431 355 W N 0.899 122.105 121.300 -0.157 0.000 3.846 355 W HA 0.475 5.126 4.660 -0.015 0.000 0.453 355 W C -0.270 175.998 176.519 -0.419 0.000 1.244 355 W CA -1.205 55.830 57.345 -0.518 0.000 0.870 355 W CB -0.160 28.955 29.460 -0.574 0.000 2.310 355 W HN -0.383 nan 8.180 nan 0.000 0.658 356 R N 1.949 122.017 120.500 -0.721 0.000 2.756 356 R HA 0.151 4.483 4.340 -0.014 0.000 0.264 356 R C -0.079 176.138 176.300 -0.138 0.000 1.026 356 R CA 0.011 55.853 56.100 -0.429 0.000 1.121 356 R CB 0.265 30.146 30.300 -0.698 0.000 0.999 356 R HN 0.038 nan 8.270 nan 0.000 0.449 357 R N 1.816 122.319 120.500 0.005 0.000 2.732 357 R HA 0.185 4.516 4.340 -0.014 0.000 0.278 357 R C -0.397 175.900 176.300 -0.004 0.000 0.976 357 R CA -1.108 55.004 56.100 0.020 0.000 0.963 357 R CB 0.769 31.115 30.300 0.076 0.000 1.150 357 R HN 0.524 nan 8.270 nan 0.000 0.478 358 K N 0.592 120.989 120.400 -0.006 0.000 2.513 358 K HA -0.114 4.198 4.320 -0.014 0.000 0.275 358 K C 0.604 177.222 176.600 0.029 0.000 1.025 358 K CA 1.792 58.079 56.287 0.000 0.000 1.125 358 K CB -0.112 32.391 32.500 0.006 0.000 0.843 358 K HN 0.816 nan 8.250 nan 0.000 0.486 359 G N 2.146 110.973 108.800 0.045 0.000 2.259 359 G HA2 -0.287 3.665 3.960 -0.014 0.000 0.217 359 G HA3 -0.287 3.665 3.960 -0.014 0.000 0.217 359 G C -0.069 174.948 174.900 0.194 0.000 1.001 359 G CA 0.132 45.295 45.100 0.105 0.000 0.627 359 G HN 0.958 nan 8.290 nan 0.000 0.501 360 S N 0.379 116.161 115.700 0.136 0.000 2.560 360 S HA 0.550 5.012 4.470 -0.014 0.000 0.284 360 S C -0.085 174.595 174.600 0.134 0.000 1.327 360 S CA 0.202 58.514 58.200 0.186 0.000 1.055 360 S CB 2.044 65.296 63.200 0.088 0.000 0.868 360 S HN 1.480 nan 8.310 nan 0.000 0.506 361 L N 2.894 124.227 121.223 0.184 0.000 2.316 361 L HA 0.609 4.941 4.340 -0.014 0.000 0.280 361 L C -0.049 176.854 176.870 0.055 0.000 1.006 361 L CA 0.112 54.934 54.840 -0.029 0.000 0.836 361 L CB 1.645 43.457 42.059 -0.412 0.000 1.221 361 L HN 0.946 nan 8.230 nan 0.000 0.418 362 T N 3.992 118.462 114.554 -0.140 0.000 2.940 362 T HA 0.732 5.074 4.350 -0.014 0.000 0.288 362 T C -1.186 173.132 174.700 -0.638 0.000 1.033 362 T CA -0.180 61.692 62.100 -0.379 0.000 1.033 362 T CB 0.755 69.477 68.868 -0.243 0.000 1.079 362 T HN 0.447 nan 8.240 nan 0.000 0.496 363 F N 0.415 119.404 119.950 -1.602 0.000 2.985 363 F HA 0.755 5.274 4.527 -0.013 0.000 0.322 363 F C -0.147 175.042 175.800 -1.018 0.000 1.187 363 F CA 0.172 57.566 58.000 -1.010 0.000 0.910 363 F CB 1.409 40.087 39.000 -0.538 0.000 1.411 363 F HN 0.884 nan 8.300 nan 0.000 0.492 364 G N -0.393 107.841 108.800 -0.943 0.000 2.548 364 G HA2 0.552 4.503 3.960 -0.014 0.000 0.301 364 G HA3 0.552 4.503 3.960 -0.014 0.000 0.301 364 G C -1.710 172.922 174.900 -0.446 0.000 1.349 364 G CA -0.180 44.636 45.100 -0.473 0.000 0.792 364 G HN 1.070 nan 8.290 nan 0.000 0.481 365 G N -1.551 107.123 108.800 -0.210 0.000 2.537 365 G HA2 0.603 4.555 3.960 -0.014 0.000 0.308 365 G HA3 0.603 4.555 3.960 -0.014 0.000 0.308 365 G C 1.109 175.923 174.900 -0.143 0.000 1.237 365 G CA 0.508 45.498 45.100 -0.184 0.000 0.968 365 G HN 1.495 nan 8.290 nan 0.000 0.481 366 G N 0.947 109.665 108.800 -0.137 0.000 2.808 366 G HA2 -0.226 3.726 3.960 -0.014 0.000 0.225 366 G HA3 -0.226 3.726 3.960 -0.014 0.000 0.225 366 G C -0.767 174.218 174.900 0.141 0.000 1.210 366 G CA 1.322 46.407 45.100 -0.026 0.000 0.777 366 G HN 0.560 nan 8.290 nan 0.000 0.640 367 P HA 0.156 nan 4.420 nan 0.000 0.261 367 P C -0.144 177.200 177.300 0.074 0.000 1.650 367 P CA -0.075 63.062 63.100 0.061 0.000 0.846 367 P CB -0.590 31.129 31.700 0.032 0.000 1.758 368 N N -1.219 117.575 118.700 0.156 0.000 2.714 368 N HA -0.176 4.556 4.740 -0.014 0.000 0.250 368 N C -0.209 175.379 175.510 0.130 0.000 1.117 368 N CA 0.703 53.775 53.050 0.036 0.000 0.719 368 N CB -1.488 36.825 38.487 -0.290 0.000 1.081 368 N HN 0.384 nan 8.380 nan 0.000 0.557 369 I N 0.818 121.428 120.570 0.067 0.000 2.416 369 I HA 0.222 4.384 4.170 -0.014 0.000 0.288 369 I C 0.647 176.793 176.117 0.049 0.000 1.051 369 I CA -0.252 60.973 61.300 -0.125 0.000 1.375 369 I CB 1.458 39.166 38.000 -0.486 0.000 1.407 369 I HN -0.154 nan 8.210 nan 0.000 0.516 370 V N 8.597 128.570 119.914 0.098 0.000 2.612 370 V HA 0.530 4.641 4.120 -0.014 0.000 0.301 370 V C -1.011 175.218 176.094 0.224 0.000 1.059 370 V CA -0.327 62.031 62.300 0.096 0.000 0.886 370 V CB 1.536 33.429 31.823 0.116 0.000 1.007 370 V HN 0.838 nan 8.190 nan 0.000 0.426 371 W N 5.532 126.959 121.300 0.213 0.000 2.655 371 W HA 0.890 5.542 4.660 -0.013 0.000 0.358 371 W C -1.215 175.453 176.519 0.249 0.000 1.100 371 W CA -0.812 56.697 57.345 0.275 0.000 1.195 371 W CB 1.615 31.288 29.460 0.355 0.000 1.403 371 W HN 0.745 nan 8.180 nan 0.000 0.589 372 Q N 0.795 120.992 119.800 0.661 0.000 2.403 372 Q HA 0.542 4.874 4.340 -0.014 0.000 0.267 372 Q C -1.962 174.343 176.000 0.509 0.000 0.991 372 Q CA -0.685 55.411 55.803 0.489 0.000 0.906 372 Q CB 2.033 30.912 28.738 0.234 0.000 1.422 372 Q HN 0.464 nan 8.270 nan 0.000 0.400 373 I N 2.192 123.063 120.570 0.502 0.000 2.389 373 I HA 0.440 4.602 4.170 -0.014 0.000 0.288 373 I C -0.905 175.449 176.117 0.394 0.000 0.999 373 I CA -0.557 61.007 61.300 0.440 0.000 1.129 373 I CB 1.702 40.042 38.000 0.568 0.000 1.288 373 I HN 0.798 nan 8.210 nan 0.000 0.444 374 D N 9.125 129.677 120.400 0.254 0.000 2.464 374 D HA 0.346 4.977 4.640 -0.014 0.000 0.243 374 D C -2.000 174.343 176.300 0.071 0.000 1.104 374 D CA -1.974 52.138 54.000 0.187 0.000 0.883 374 D CB 2.344 43.274 40.800 0.217 0.000 1.050 374 D HN 0.144 nan 8.370 nan 0.000 0.524 375 P HA -0.046 nan 4.420 nan 0.000 0.218 375 P C 1.255 178.524 177.300 -0.052 0.000 1.152 375 P CA 0.827 63.859 63.100 -0.113 0.000 0.826 375 P CB 0.497 32.011 31.700 -0.308 0.000 0.790 376 K N 0.089 120.481 120.400 -0.012 0.000 2.148 376 K HA -0.016 4.295 4.320 -0.014 0.000 0.204 376 K C 1.845 178.463 176.600 0.030 0.000 1.050 376 K CA 1.268 57.560 56.287 0.009 0.000 0.942 376 K CB -0.481 32.034 32.500 0.025 0.000 0.724 376 K HN -0.042 nan 8.250 nan 0.000 0.446 377 A N -0.008 122.836 122.820 0.040 0.000 2.169 377 A HA 0.205 4.517 4.320 -0.014 0.000 0.212 377 A C 1.379 178.952 177.584 -0.019 0.000 1.153 377 A CA 0.739 52.792 52.037 0.026 0.000 0.756 377 A CB -0.377 18.631 19.000 0.013 0.000 0.813 377 A HN 0.512 nan 8.150 nan 0.000 0.471 378 G N -1.367 107.417 108.800 -0.027 0.000 2.160 378 G HA2 -0.218 3.734 3.960 -0.014 0.000 0.251 378 G HA3 -0.218 3.734 3.960 -0.014 0.000 0.251 378 G C -0.031 174.777 174.900 -0.154 0.000 1.008 378 G CA 0.719 45.796 45.100 -0.038 0.000 0.724 378 G HN 0.492 nan 8.290 nan 0.000 0.514 379 L N -0.922 120.185 121.223 -0.193 0.000 2.309 379 L HA 0.848 5.179 4.340 -0.014 0.000 0.261 379 L C 0.488 177.337 176.870 -0.035 0.000 1.021 379 L CA -0.812 53.871 54.840 -0.262 0.000 0.823 379 L CB 2.579 44.319 42.059 -0.532 0.000 1.366 379 L HN 0.671 nan 8.230 nan 0.000 0.423 380 C N -0.541 118.771 119.300 0.021 0.000 2.752 380 C HA 0.833 5.285 4.460 -0.014 0.000 0.360 380 C C -0.217 174.894 174.990 0.201 0.000 1.081 380 C CA -0.453 58.664 59.018 0.166 0.000 1.272 380 C CB 0.599 28.457 27.740 0.198 0.000 1.754 380 C HN 0.898 nan 8.230 nan 0.000 0.483 381 T N 1.331 116.069 114.554 0.308 0.000 2.916 381 T HA 0.809 5.150 4.350 -0.014 0.000 0.292 381 T C -1.094 173.906 174.700 0.500 0.000 1.055 381 T CA -0.616 61.722 62.100 0.398 0.000 1.009 381 T CB 1.760 70.867 68.868 0.399 0.000 1.118 381 T HN 1.808 nan 8.240 nan 0.000 0.497 382 L N 1.827 123.372 121.223 0.538 0.000 2.491 382 L HA 0.792 5.123 4.340 -0.014 0.000 0.267 382 L C -0.693 176.390 176.870 0.355 0.000 0.971 382 L CA -0.502 54.627 54.840 0.482 0.000 0.857 382 L CB 1.268 43.603 42.059 0.460 0.000 1.226 382 L HN 1.115 nan 8.230 nan 0.000 0.408 383 A N 4.343 127.345 122.820 0.303 0.000 2.274 383 A HA 0.726 5.037 4.320 -0.014 0.000 0.309 383 A C -1.337 176.338 177.584 0.151 0.000 1.226 383 A CA -0.224 51.876 52.037 0.104 0.000 0.853 383 A CB 0.337 19.468 19.000 0.218 0.000 1.146 383 A HN 0.613 nan 8.150 nan 0.000 0.518 384 F N 2.791 122.657 119.950 -0.140 0.000 2.496 384 F HA 0.687 5.206 4.527 -0.013 0.000 0.341 384 F C -1.135 174.515 175.800 -0.249 0.000 1.134 384 F CA -0.819 57.130 58.000 -0.086 0.000 0.968 384 F CB 1.009 39.965 39.000 -0.072 0.000 1.205 384 F HN 0.527 nan 8.300 nan 0.000 0.436 385 F N 2.540 122.536 119.950 0.078 0.000 2.618 385 F HA 0.516 5.036 4.527 -0.012 0.000 0.332 385 F C 0.267 176.128 175.800 0.102 0.000 1.061 385 F CA -0.665 57.407 58.000 0.119 0.000 0.974 385 F CB 1.535 40.554 39.000 0.031 0.000 1.310 385 F HN 0.143 nan 8.300 nan 0.000 0.491 386 Q N 2.112 122.112 119.800 0.334 0.000 2.333 386 Q HA 0.293 4.625 4.340 -0.014 0.000 0.365 386 Q C -1.560 174.533 176.000 0.154 0.000 0.882 386 Q CA -0.227 55.706 55.803 0.216 0.000 1.124 386 Q CB 1.484 30.355 28.738 0.222 0.000 1.345 386 Q HN 0.472 nan 8.270 nan 0.000 0.409 387 L N -0.093 121.201 121.223 0.117 0.000 2.385 387 L HA 0.539 4.871 4.340 -0.014 0.000 0.273 387 L C -0.640 176.204 176.870 -0.043 0.000 0.990 387 L CA -0.109 54.745 54.840 0.023 0.000 0.821 387 L CB 1.603 43.650 42.059 -0.021 0.000 1.279 387 L HN -0.086 nan 8.230 nan 0.000 0.412 388 E N 5.585 125.736 120.200 -0.082 0.000 2.212 388 E HA 0.549 4.891 4.350 -0.014 0.000 0.270 388 E C -2.601 173.739 176.600 -0.433 0.000 0.956 388 E CA -1.705 54.610 56.400 -0.142 0.000 0.825 388 E CB 1.817 31.522 29.700 0.008 0.000 1.167 388 E HN 0.471 nan 8.360 nan 0.000 0.400 389 P HA 0.081 nan 4.420 nan 0.000 0.281 389 P C 0.020 177.281 177.300 -0.065 0.000 1.281 389 P CA -0.676 62.351 63.100 -0.121 0.000 0.811 389 P CB 0.935 32.595 31.700 -0.068 0.000 1.154 390 W N 1.679 122.888 121.300 -0.152 0.000 2.253 390 W HA -0.103 4.548 4.660 -0.016 0.000 0.348 390 W C 0.263 176.672 176.519 -0.183 0.000 1.267 390 W CA 0.974 58.216 57.345 -0.172 0.000 1.298 390 W CB -0.532 28.826 29.460 -0.170 0.000 1.181 390 W HN 0.672 nan 8.180 nan 0.000 0.585 391 N N 2.867 120.706 118.700 -1.436 0.000 2.708 391 N HA -0.247 4.485 4.740 -0.014 0.000 0.255 391 N C -1.054 174.108 175.510 -0.579 0.000 1.046 391 N CA 1.153 53.536 53.050 -1.112 0.000 0.715 391 N CB -1.016 36.967 38.487 -0.840 0.000 0.895 391 N HN 0.437 nan 8.380 nan 0.000 0.545 392 D N 0.134 120.211 120.400 -0.537 0.000 2.256 392 D HA 0.258 4.890 4.640 -0.014 0.000 0.250 392 D C -1.330 174.754 176.300 -0.360 0.000 1.093 392 D CA -2.007 51.758 54.000 -0.391 0.000 0.882 392 D CB 1.293 41.857 40.800 -0.394 0.000 1.185 392 D HN 0.131 nan 8.370 nan 0.000 0.437 393 P HA -0.165 nan 4.420 nan 0.000 0.215 393 P C 1.572 178.728 177.300 -0.240 0.000 1.157 393 P CA 1.354 64.316 63.100 -0.229 0.000 0.874 393 P CB 0.054 31.648 31.700 -0.177 0.000 0.790 394 V N -2.985 116.777 119.914 -0.253 0.000 2.358 394 V HA -0.227 3.885 4.120 -0.014 0.000 0.246 394 V C 2.169 178.061 176.094 -0.338 0.000 1.047 394 V CA 1.922 64.066 62.300 -0.260 0.000 1.035 394 V CB -1.912 29.772 31.823 -0.232 0.000 0.658 394 V HN 0.103 nan 8.190 nan 0.000 0.452 395 C N 0.236 119.257 119.300 -0.465 0.000 2.432 395 C HA -0.067 4.384 4.460 -0.014 0.000 0.277 395 C C 2.957 177.707 174.990 -0.399 0.000 1.249 395 C CA 1.682 60.286 59.018 -0.690 0.000 1.725 395 C CB -1.317 25.795 27.740 -1.047 0.000 2.028 395 C HN 0.665 nan 8.230 nan 0.000 0.477 396 R N 0.933 121.222 120.500 -0.352 0.000 2.091 396 R HA -0.182 4.150 4.340 -0.014 0.000 0.238 396 R C 1.794 178.011 176.300 -0.138 0.000 1.136 396 R CA 2.269 58.228 56.100 -0.234 0.000 0.959 396 R CB -0.510 29.634 30.300 -0.260 0.000 0.856 396 R HN 0.549 nan 8.270 nan 0.000 0.437 397 D N -0.390 119.906 120.400 -0.174 0.000 2.117 397 D HA -0.131 4.501 4.640 -0.014 0.000 0.198 397 D C 1.692 177.916 176.300 -0.127 0.000 0.982 397 D CA 0.872 54.782 54.000 -0.149 0.000 0.828 397 D CB 0.127 40.825 40.800 -0.170 0.000 0.967 397 D HN 0.128 nan 8.370 nan 0.000 0.464 398 L N 0.134 121.254 121.223 -0.171 0.000 2.072 398 L HA -0.032 4.300 4.340 -0.014 0.000 0.205 398 L C 2.525 179.501 176.870 0.177 0.000 1.079 398 L CA 1.380 56.096 54.840 -0.207 0.000 0.752 398 L CB -1.061 40.610 42.059 -0.646 0.000 0.906 398 L HN 0.065 nan 8.230 nan 0.000 0.436 399 T N -1.049 113.644 114.554 0.231 0.000 2.674 399 T HA -0.172 4.170 4.350 -0.014 0.000 0.265 399 T C 2.079 177.006 174.700 0.378 0.000 1.039 399 T CA 0.921 63.275 62.100 0.423 0.000 1.150 399 T CB -0.142 68.916 68.868 0.316 0.000 0.864 399 T HN 0.165 nan 8.240 nan 0.000 0.427 400 R N 0.943 121.555 120.500 0.186 0.000 2.136 400 R HA -0.154 4.178 4.340 -0.014 0.000 0.242 400 R C 2.850 179.186 176.300 0.059 0.000 1.131 400 R CA 2.223 58.373 56.100 0.083 0.000 0.937 400 R CB -1.314 28.950 30.300 -0.060 0.000 0.863 400 R HN 0.627 nan 8.270 nan 0.000 0.435 401 T N -1.920 112.651 114.554 0.030 0.000 3.088 401 T HA -0.063 4.279 4.350 -0.014 0.000 0.259 401 T C 1.637 176.462 174.700 0.208 0.000 1.122 401 T CA 0.467 62.571 62.100 0.006 0.000 1.095 401 T CB -0.283 68.561 68.868 -0.040 0.000 0.930 401 T HN 0.209 nan 8.240 nan 0.000 0.508 402 F N 2.730 122.812 119.950 0.219 0.000 2.060 402 F HA 0.088 4.606 4.527 -0.014 0.000 0.295 402 F C 2.191 178.098 175.800 0.179 0.000 1.120 402 F CA 1.328 59.485 58.000 0.262 0.000 1.205 402 F CB -0.430 38.798 39.000 0.380 0.000 0.986 402 F HN 0.131 nan 8.300 nan 0.000 0.470 403 E N -0.571 119.558 120.200 -0.118 0.000 2.031 403 E HA -0.273 4.069 4.350 -0.014 0.000 0.193 403 E C 2.047 178.523 176.600 -0.206 0.000 0.994 403 E CA 1.814 58.082 56.400 -0.220 0.000 0.800 403 E CB -0.699 29.103 29.700 0.170 0.000 0.752 403 E HN 0.564 nan 8.360 nan 0.000 0.447 404 H N 0.576 119.383 119.070 -0.438 0.000 2.362 404 H HA -0.212 4.335 4.556 -0.014 0.000 0.294 404 H C 1.997 177.232 175.328 -0.155 0.000 1.113 404 H CA 2.073 57.871 56.048 -0.416 0.000 1.253 404 H CB -0.230 29.271 29.762 -0.435 0.000 1.363 404 H HN 0.260 nan 8.280 nan 0.000 0.494 405 A N 0.408 123.227 122.820 -0.002 0.000 1.840 405 A HA -0.095 4.217 4.320 -0.014 0.000 0.214 405 A C 2.243 179.791 177.584 -0.060 0.000 1.198 405 A CA 1.677 53.707 52.037 -0.012 0.000 0.608 405 A CB -0.609 18.399 19.000 0.013 0.000 0.839 405 A HN 0.416 nan 8.150 nan 0.000 0.443 406 I N -3.020 117.442 120.570 -0.180 0.000 2.454 406 I HA -0.162 4.000 4.170 -0.014 0.000 0.254 406 I C 2.135 178.223 176.117 -0.049 0.000 1.156 406 I CA 1.078 62.248 61.300 -0.217 0.000 1.433 406 I CB -1.409 36.332 38.000 -0.432 0.000 1.082 406 I HN 0.278 nan 8.210 nan 0.000 0.432 407 Y N 1.523 121.749 120.300 -0.123 0.000 2.224 407 Y HA -0.086 4.456 4.550 -0.013 0.000 0.289 407 Y C 2.726 178.650 175.900 0.041 0.000 1.146 407 Y CA 1.699 59.794 58.100 -0.009 0.000 1.182 407 Y CB -0.659 37.808 38.460 0.011 0.000 0.983 407 Y HN 0.245 nan 8.280 nan 0.000 0.524 408 A N -0.509 122.401 122.820 0.150 0.000 1.840 408 A HA -0.205 4.107 4.320 -0.014 0.000 0.214 408 A C 2.220 179.841 177.584 0.062 0.000 1.198 408 A CA 1.573 53.667 52.037 0.096 0.000 0.608 408 A CB -0.860 18.177 19.000 0.062 0.000 0.839 408 A HN 0.442 nan 8.150 nan 0.000 0.443 409 Q N -1.416 118.408 119.800 0.039 0.000 2.045 409 Q HA -0.263 4.069 4.340 -0.014 0.000 0.206 409 Q C 1.981 178.001 176.000 0.034 0.000 0.991 409 Q CA 2.457 58.274 55.803 0.023 0.000 0.851 409 Q CB -0.456 28.285 28.738 0.004 0.000 0.911 409 Q HN 0.724 nan 8.270 nan 0.000 0.418 410 Y N 1.836 122.093 120.300 -0.072 0.000 2.030 410 Y HA -0.269 4.273 4.550 -0.014 0.000 0.274 410 Y C 2.150 178.013 175.900 -0.061 0.000 1.153 410 Y CA 2.617 60.667 58.100 -0.083 0.000 1.115 410 Y CB -0.378 37.997 38.460 -0.142 0.000 0.969 410 Y HN 0.328 nan 8.280 nan 0.000 0.488 411 Q N -0.043 119.725 119.800 -0.054 0.000 2.247 411 Q HA 0.066 4.397 4.340 -0.014 0.000 0.205 411 Q C -0.192 175.754 176.000 -0.090 0.000 0.896 411 Q CA 0.320 56.028 55.803 -0.159 0.000 0.950 411 Q CB 0.053 28.812 28.738 0.035 0.000 1.054 411 Q HN 0.676 nan 8.270 nan 0.000 0.482 412 Q N 0.141 119.900 119.800 -0.068 0.000 2.074 412 Q HA 0.282 4.614 4.340 -0.014 0.000 0.265 412 Q C 0.194 176.171 176.000 -0.038 0.000 0.855 412 Q CA -0.237 55.545 55.803 -0.034 0.000 1.083 412 Q CB 1.433 30.174 28.738 0.005 0.000 1.260 412 Q HN 0.384 nan 8.270 nan 0.000 0.427 413 G N 0.000 108.760 108.800 -0.066 0.000 5.446 413 G HA2 0.000 3.952 3.960 -0.014 0.000 0.244 413 G HA3 0.000 3.952 3.960 -0.014 0.000 0.244 413 G CA 0.000 45.070 45.100 -0.049 0.000 0.502 413 G HN 0.000 nan 8.290 nan 0.000 0.925