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 1oc0_1_A DATA FIRST_RESID 6 DATA SEQUENCE SYVAHLASDF GVRVFQQVAQ ASKDRNVVFS PYGVASVLAM LQLTTGGETQ DATA SEQUENCE QQIQAAMGFK IDDKGMAPAL RHLYKELMGP WNKDEISTTD AIFVQRDLKL DATA SEQUENCE VQGFMPHFFR LFRSTVKQVD FSEVERARFI INDWVKTHTK GMISHLLGTG DATA SEQUENCE AVDQLTRLVL VNALYFNGQW KTPFPDSSTH RRLFHKSDGS TVSVPMMAQT DATA SEQUENCE NKFNYTEFTT PDGHYYDILE LPYHGDTLSM FIAAPYEKEV PLSALTNILS DATA SEQUENCE AQLISHWKGN MTRLPRLLVL PKFSLETEVD LRKPLENLGM TDMFRQFQAD DATA SEQUENCE FTSLSDQEPL HVALALQKVK IEVNESGTVA SSXXXXXXXX XXAPEEIIID DATA SEQUENCE RPFLFVVRHN PTGTVLFMGQ VMEP 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.670 174.600 0.116 0.000 1.055 6 S CA 0.000 58.229 58.200 0.049 0.000 1.107 6 S CB 0.000 63.203 63.200 0.005 0.000 0.593 7 Y N 2.140 122.422 120.300 -0.029 0.000 2.224 7 Y HA -0.082 4.469 4.550 0.002 0.000 0.289 7 Y C 2.285 178.162 175.900 -0.040 0.000 1.146 7 Y CA 2.026 60.121 58.100 -0.008 0.000 1.182 7 Y CB 0.006 38.453 38.460 -0.022 0.000 0.983 7 Y HN 0.638 nan 8.280 nan 0.000 0.524 8 V N -0.042 119.782 119.914 -0.150 0.000 2.548 8 V HA -0.195 3.926 4.120 0.001 0.000 0.249 8 V C 2.304 178.228 176.094 -0.283 0.000 1.055 8 V CA 1.587 63.627 62.300 -0.434 0.000 1.065 8 V CB -0.684 30.842 31.823 -0.495 0.000 0.681 8 V HN 0.534 nan 8.190 nan 0.000 0.462 9 A N -0.514 122.252 122.820 -0.090 0.000 1.902 9 A HA -0.301 4.020 4.320 0.001 0.000 0.217 9 A C 2.051 179.641 177.584 0.009 0.000 1.181 9 A CA 2.304 54.342 52.037 0.002 0.000 0.623 9 A CB -0.956 18.082 19.000 0.062 0.000 0.818 9 A HN 0.869 nan 8.150 nan 0.000 0.443 10 H N -0.257 118.771 119.070 -0.069 0.000 2.326 10 H HA 0.033 4.590 4.556 0.001 0.000 0.301 10 H C 1.723 176.987 175.328 -0.107 0.000 1.081 10 H CA 1.831 57.837 56.048 -0.071 0.000 1.334 10 H CB -0.294 29.445 29.762 -0.038 0.000 1.385 10 H HN 0.337 nan 8.280 nan 0.000 0.504 11 L N -0.106 120.885 121.223 -0.387 0.000 2.046 11 L HA -0.131 4.210 4.340 0.001 0.000 0.208 11 L C 2.851 179.665 176.870 -0.094 0.000 1.077 11 L CA 1.031 55.657 54.840 -0.357 0.000 0.747 11 L CB -0.685 41.146 42.059 -0.380 0.000 0.896 11 L HN 0.494 nan 8.230 nan 0.000 0.432 12 A N -0.775 122.015 122.820 -0.049 0.000 1.898 12 A HA -0.168 4.152 4.320 0.001 0.000 0.216 12 A C 2.497 180.157 177.584 0.127 0.000 1.181 12 A CA 1.968 54.090 52.037 0.141 0.000 0.620 12 A CB -0.510 18.552 19.000 0.103 0.000 0.819 12 A HN 0.369 nan 8.150 nan 0.000 0.442 13 S N -0.402 115.309 115.700 0.017 0.000 2.368 13 S HA -0.159 4.312 4.470 0.001 0.000 0.224 13 S C 1.737 176.307 174.600 -0.051 0.000 1.029 13 S CA 1.466 59.665 58.200 -0.003 0.000 0.988 13 S CB -0.420 62.764 63.200 -0.028 0.000 0.838 13 S HN 0.780 nan 8.310 nan 0.000 0.462 14 D N 0.471 120.774 120.400 -0.160 0.000 2.104 14 D HA -0.163 4.478 4.640 0.001 0.000 0.194 14 D C 1.723 178.023 176.300 0.000 0.000 0.994 14 D CA 1.086 54.997 54.000 -0.148 0.000 0.830 14 D CB -0.169 40.455 40.800 -0.294 0.000 0.959 14 D HN 0.317 nan 8.370 nan 0.000 0.452 15 F N 0.742 120.657 119.950 -0.059 0.000 2.102 15 F HA 0.034 4.562 4.527 0.001 0.000 0.298 15 F C 2.184 178.010 175.800 0.044 0.000 1.105 15 F CA 2.057 60.056 58.000 -0.003 0.000 1.239 15 F CB -0.828 38.183 39.000 0.019 0.000 0.991 15 F HN 0.016 nan 8.300 nan 0.000 0.474 16 G N 0.023 108.769 108.800 -0.090 0.000 2.422 16 G HA2 -0.199 3.762 3.960 0.001 0.000 0.218 16 G HA3 -0.199 3.762 3.960 0.001 0.000 0.218 16 G C 1.743 176.648 174.900 0.008 0.000 1.146 16 G CA 1.178 46.226 45.100 -0.086 0.000 0.769 16 G HN 0.369 nan 8.290 nan 0.000 0.547 17 V N 0.483 120.395 119.914 -0.004 0.000 2.358 17 V HA -0.142 3.978 4.120 0.001 0.000 0.246 17 V C 2.898 178.993 176.094 0.000 0.000 1.047 17 V CA 1.854 64.174 62.300 0.033 0.000 1.035 17 V CB -0.444 31.370 31.823 -0.014 0.000 0.658 17 V HN 0.312 nan 8.190 nan 0.000 0.452 18 R N -0.389 120.057 120.500 -0.090 0.000 2.096 18 R HA -0.128 4.213 4.340 0.001 0.000 0.235 18 R C 2.213 178.392 176.300 -0.201 0.000 1.127 18 R CA 1.449 57.476 56.100 -0.122 0.000 0.968 18 R CB -0.495 29.750 30.300 -0.092 0.000 0.861 18 R HN 0.427 nan 8.270 nan 0.000 0.440 19 V N 0.662 120.393 119.914 -0.305 0.000 2.295 19 V HA -0.248 3.873 4.120 0.001 0.000 0.246 19 V C 1.943 177.777 176.094 -0.434 0.000 1.049 19 V CA 1.730 63.831 62.300 -0.332 0.000 1.024 19 V CB -0.619 31.029 31.823 -0.292 0.000 0.648 19 V HN 0.232 nan 8.190 nan 0.000 0.447 20 F N 1.215 120.849 119.950 -0.527 0.000 2.126 20 F HA -0.257 4.270 4.527 0.001 0.000 0.299 20 F C 2.444 178.000 175.800 -0.406 0.000 1.096 20 F CA 2.031 59.637 58.000 -0.657 0.000 1.255 20 F CB -0.394 38.440 39.000 -0.276 0.000 0.997 20 F HN 0.174 nan 8.300 nan 0.000 0.479 21 Q N -0.387 119.173 119.800 -0.401 0.000 2.084 21 Q HA -0.229 4.112 4.340 0.001 0.000 0.202 21 Q C 2.259 178.010 176.000 -0.416 0.000 0.978 21 Q CA 1.637 57.193 55.803 -0.412 0.000 0.844 21 Q CB -0.274 28.362 28.738 -0.171 0.000 0.898 21 Q HN 0.471 nan 8.270 nan 0.000 0.426 22 Q N -0.131 119.461 119.800 -0.347 0.000 2.084 22 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 22 Q C 2.315 178.113 176.000 -0.337 0.000 0.978 22 Q CA 1.190 56.824 55.803 -0.283 0.000 0.844 22 Q CB -0.410 28.197 28.738 -0.219 0.000 0.898 22 Q HN 0.275 nan 8.270 nan 0.000 0.426 23 V N 1.381 121.014 119.914 -0.469 0.000 2.261 23 V HA -0.266 3.854 4.120 0.001 0.000 0.246 23 V C 2.456 178.278 176.094 -0.453 0.000 1.047 23 V CA 1.891 63.919 62.300 -0.453 0.000 1.015 23 V CB -1.265 30.200 31.823 -0.598 0.000 0.642 23 V HN 0.342 nan 8.190 nan 0.000 0.446 24 A N -0.996 121.396 122.820 -0.713 0.000 1.917 24 A HA -0.340 3.981 4.320 0.001 0.000 0.219 24 A C 2.192 179.574 177.584 -0.335 0.000 1.182 24 A CA 2.257 53.939 52.037 -0.591 0.000 0.633 24 A CB -0.597 17.876 19.000 -0.877 0.000 0.819 24 A HN 0.635 nan 8.150 nan 0.000 0.448 25 Q N -1.168 118.448 119.800 -0.307 0.000 2.124 25 Q HA -0.084 4.257 4.340 0.001 0.000 0.202 25 Q C 1.997 177.906 176.000 -0.152 0.000 0.977 25 Q CA 1.387 57.072 55.803 -0.197 0.000 0.850 25 Q CB -0.270 28.363 28.738 -0.175 0.000 0.901 25 Q HN 0.689 nan 8.270 nan 0.000 0.429 26 A N -0.875 121.848 122.820 -0.162 0.000 2.307 26 A HA 0.119 4.440 4.320 0.001 0.000 0.218 26 A C 1.697 179.220 177.584 -0.101 0.000 1.228 26 A CA 0.134 52.100 52.037 -0.118 0.000 0.857 26 A CB 0.271 19.201 19.000 -0.115 0.000 0.897 26 A HN 0.099 nan 8.150 nan 0.000 0.495 27 S N -0.263 115.367 115.700 -0.117 0.000 2.528 27 S HA 0.088 4.559 4.470 0.001 0.000 0.219 27 S C 0.788 175.354 174.600 -0.057 0.000 0.985 27 S CA 0.521 58.669 58.200 -0.086 0.000 0.914 27 S CB -0.140 62.998 63.200 -0.102 0.000 0.776 27 S HN 0.617 nan 8.310 nan 0.000 0.526 28 K N 1.007 121.372 120.400 -0.059 0.000 2.311 28 K HA -0.182 4.139 4.320 0.001 0.000 0.220 28 K C -0.362 176.220 176.600 -0.030 0.000 1.535 28 K CA 1.609 57.873 56.287 -0.039 0.000 0.473 28 K CB -1.740 30.744 32.500 -0.027 0.000 0.750 28 K HN 0.509 nan 8.250 nan 0.000 0.752 29 D N 2.542 122.933 120.400 -0.015 0.000 2.460 29 D HA 0.075 4.716 4.640 0.001 0.000 0.229 29 D C 0.082 176.381 176.300 -0.002 0.000 1.170 29 D CA 0.046 54.044 54.000 -0.003 0.000 0.827 29 D CB 0.128 40.932 40.800 0.007 0.000 0.973 29 D HN 0.195 nan 8.370 nan 0.000 0.496 30 R N 0.666 121.160 120.500 -0.009 0.000 2.536 30 R HA 0.274 4.615 4.340 0.001 0.000 0.279 30 R C 0.190 176.491 176.300 0.001 0.000 1.001 30 R CA -0.849 55.251 56.100 -0.001 0.000 1.027 30 R CB 0.866 31.168 30.300 0.003 0.000 1.096 30 R HN -0.015 nan 8.270 nan 0.000 0.502 31 N N 0.765 119.468 118.700 0.005 0.000 2.441 31 N HA 0.071 4.812 4.740 0.001 0.000 0.251 31 N C -0.714 174.841 175.510 0.075 0.000 1.242 31 N CA 0.342 53.404 53.050 0.019 0.000 0.898 31 N CB 0.829 39.324 38.487 0.014 0.000 1.100 31 N HN 0.167 nan 8.380 nan 0.000 0.443 32 V N 1.236 121.229 119.914 0.131 0.000 2.733 32 V HA 0.381 4.502 4.120 0.001 0.000 0.306 32 V C -0.292 175.996 176.094 0.324 0.000 1.084 32 V CA -0.899 61.527 62.300 0.210 0.000 0.905 32 V CB 2.227 34.168 31.823 0.197 0.000 1.010 32 V HN 0.354 nan 8.190 nan 0.000 0.424 33 V N 5.255 125.394 119.914 0.374 0.000 2.715 33 V HA 0.848 4.969 4.120 0.001 0.000 0.310 33 V C -1.464 174.937 176.094 0.512 0.000 1.054 33 V CA -0.480 62.102 62.300 0.470 0.000 0.928 33 V CB 1.895 34.019 31.823 0.501 0.000 1.007 33 V HN 0.788 nan 8.190 nan 0.000 0.437 34 F N 3.505 123.632 119.950 0.295 0.000 2.686 34 F HA 0.651 5.178 4.527 0.001 0.000 0.311 34 F C -0.497 175.456 175.800 0.254 0.000 1.128 34 F CA -0.402 57.759 58.000 0.269 0.000 0.946 34 F CB 2.272 41.474 39.000 0.337 0.000 1.336 34 F HN 0.424 nan 8.300 nan 0.000 0.457 35 S N 4.457 119.803 115.700 -0.590 0.000 2.667 35 S HA 0.417 4.888 4.470 0.001 0.000 0.304 35 S C -2.316 172.027 174.600 -0.429 0.000 1.135 35 S CA -1.607 56.359 58.200 -0.390 0.000 1.125 35 S CB 1.276 64.287 63.200 -0.316 0.000 0.996 35 S HN 0.402 nan 8.310 nan 0.000 0.474 36 P HA -0.133 nan 4.420 nan 0.000 0.215 36 P C 1.074 178.380 177.300 0.010 0.000 1.157 36 P CA 0.872 64.012 63.100 0.068 0.000 0.868 36 P CB -0.077 31.672 31.700 0.081 0.000 0.788 37 Y N 0.724 120.944 120.300 -0.134 0.000 2.128 37 Y HA -0.167 4.383 4.550 0.001 0.000 0.284 37 Y C 2.380 178.232 175.900 -0.081 0.000 1.154 37 Y CA 2.169 60.207 58.100 -0.105 0.000 1.149 37 Y CB -1.249 37.106 38.460 -0.175 0.000 0.976 37 Y HN -0.136 nan 8.280 nan 0.000 0.505 38 G N -0.311 108.279 108.800 -0.349 0.000 2.421 38 G HA2 -0.282 3.678 3.960 0.001 0.000 0.216 38 G HA3 -0.282 3.678 3.960 0.001 0.000 0.216 38 G C 1.777 176.510 174.900 -0.278 0.000 1.171 38 G CA 1.228 46.101 45.100 -0.379 0.000 0.775 38 G HN 0.443 nan 8.290 nan 0.000 0.543 39 V N 1.039 120.840 119.914 -0.189 0.000 2.548 39 V HA 0.122 4.242 4.120 0.001 0.000 0.249 39 V C 3.119 179.287 176.094 0.124 0.000 1.055 39 V CA 2.098 64.388 62.300 -0.017 0.000 1.065 39 V CB -0.410 31.453 31.823 0.067 0.000 0.681 39 V HN 0.434 nan 8.190 nan 0.000 0.462 40 A N -0.613 122.285 122.820 0.130 0.000 1.902 40 A HA -0.220 4.100 4.320 0.001 0.000 0.217 40 A C 2.579 180.162 177.584 -0.001 0.000 1.181 40 A CA 2.371 54.548 52.037 0.233 0.000 0.623 40 A CB -1.032 18.118 19.000 0.250 0.000 0.818 40 A HN 0.623 nan 8.150 nan 0.000 0.443 41 S N -0.960 114.613 115.700 -0.211 0.000 2.356 41 S HA -0.124 4.347 4.470 0.001 0.000 0.223 41 S C 1.951 176.410 174.600 -0.234 0.000 1.032 41 S CA 1.696 59.728 58.200 -0.280 0.000 1.005 41 S CB -0.528 62.352 63.200 -0.534 0.000 0.867 41 S HN 0.457 nan 8.310 nan 0.000 0.449 42 V N 1.577 121.386 119.914 -0.175 0.000 2.548 42 V HA 0.018 4.138 4.120 0.001 0.000 0.249 42 V C 2.278 178.313 176.094 -0.099 0.000 1.055 42 V CA 1.256 63.477 62.300 -0.131 0.000 1.065 42 V CB -0.421 31.365 31.823 -0.062 0.000 0.681 42 V HN 0.496 nan 8.190 nan 0.000 0.462 43 L N 0.062 121.257 121.223 -0.046 0.000 2.109 43 L HA -0.027 4.314 4.340 0.001 0.000 0.207 43 L C 2.775 179.545 176.870 -0.167 0.000 1.086 43 L CA 2.182 56.986 54.840 -0.060 0.000 0.760 43 L CB -1.694 40.372 42.059 0.012 0.000 0.910 43 L HN 0.443 nan 8.230 nan 0.000 0.437 44 A N -0.228 122.483 122.820 -0.182 0.000 1.908 44 A HA -0.249 4.071 4.320 0.001 0.000 0.218 44 A C 2.282 179.728 177.584 -0.230 0.000 1.181 44 A CA 1.879 53.812 52.037 -0.173 0.000 0.627 44 A CB -0.369 18.637 19.000 0.009 0.000 0.818 44 A HN 0.398 nan 8.150 nan 0.000 0.445 45 M N -1.549 117.777 119.600 -0.456 0.000 2.200 45 M HA -0.042 4.439 4.480 0.001 0.000 0.265 45 M C 2.130 178.361 176.300 -0.116 0.000 1.066 45 M CA 1.097 55.937 55.300 -0.767 0.000 1.127 45 M CB -0.393 31.675 32.600 -0.886 0.000 1.379 45 M HN 0.401 nan 8.290 nan 0.000 0.420 46 L N 0.739 121.938 121.223 -0.040 0.000 2.191 46 L HA -0.174 4.167 4.340 0.001 0.000 0.212 46 L C 2.399 179.314 176.870 0.076 0.000 1.103 46 L CA 1.694 56.585 54.840 0.086 0.000 0.769 46 L CB -0.475 41.620 42.059 0.060 0.000 0.908 46 L HN 0.309 nan 8.230 nan 0.000 0.438 47 Q N -1.269 118.523 119.800 -0.013 0.000 2.181 47 Q HA -0.252 4.089 4.340 0.001 0.000 0.205 47 Q C 2.141 178.177 176.000 0.060 0.000 0.980 47 Q CA 1.563 57.344 55.803 -0.037 0.000 0.862 47 Q CB -0.251 28.428 28.738 -0.098 0.000 0.905 47 Q HN 0.413 nan 8.270 nan 0.000 0.429 48 L N 0.357 121.684 121.223 0.174 0.000 2.141 48 L HA -0.131 4.210 4.340 0.001 0.000 0.209 48 L C 2.436 179.548 176.870 0.403 0.000 1.094 48 L CA 1.994 56.990 54.840 0.260 0.000 0.763 48 L CB -0.503 41.732 42.059 0.293 0.000 0.908 48 L HN 0.309 nan 8.230 nan 0.000 0.437 49 T N -4.703 110.085 114.554 0.391 0.000 3.067 49 T HA 0.022 4.373 4.350 0.001 0.000 0.261 49 T C 0.892 175.668 174.700 0.126 0.000 1.110 49 T CA 0.527 62.809 62.100 0.303 0.000 1.113 49 T CB -0.884 68.171 68.868 0.313 0.000 0.917 49 T HN 0.437 nan 8.240 nan 0.000 0.499 50 T N -1.231 113.310 114.554 -0.021 0.000 2.944 50 T HA 0.752 5.103 4.350 0.001 0.000 0.284 50 T C 0.249 174.860 174.700 -0.148 0.000 1.010 50 T CA -0.434 61.500 62.100 -0.276 0.000 1.025 50 T CB 1.768 70.372 68.868 -0.441 0.000 1.079 50 T HN 0.417 nan 8.240 nan 0.000 0.516 51 G N -1.630 107.060 108.800 -0.183 0.000 2.866 51 G HA2 0.695 4.656 3.960 0.001 0.000 0.289 51 G HA3 0.695 4.656 3.960 0.001 0.000 0.289 51 G C 0.390 175.223 174.900 -0.111 0.000 1.396 51 G CA -0.144 44.897 45.100 -0.098 0.000 0.848 51 G HN 1.510 nan 8.290 nan 0.000 0.515 52 G N 0.034 108.793 108.800 -0.068 0.000 2.614 52 G HA2 -0.288 3.672 3.960 0.001 0.000 0.303 52 G HA3 -0.288 3.672 3.960 0.001 0.000 0.303 52 G C 1.074 175.931 174.900 -0.071 0.000 1.270 52 G CA 1.321 46.386 45.100 -0.058 0.000 0.988 52 G HN 1.094 nan 8.290 nan 0.000 0.551 53 E N -0.231 119.930 120.200 -0.065 0.000 2.274 53 E HA 0.059 4.410 4.350 0.001 0.000 0.194 53 E C 2.767 179.312 176.600 -0.091 0.000 0.996 53 E CA 2.008 58.370 56.400 -0.062 0.000 0.840 53 E CB -0.534 29.143 29.700 -0.039 0.000 0.772 53 E HN 0.493 nan 8.360 nan 0.000 0.491 54 T N 0.141 114.613 114.554 -0.137 0.000 2.674 54 T HA -0.190 4.160 4.350 0.001 0.000 0.265 54 T C 1.740 176.314 174.700 -0.211 0.000 1.039 54 T CA 1.482 63.458 62.100 -0.206 0.000 1.150 54 T CB -0.243 68.409 68.868 -0.360 0.000 0.864 54 T HN 0.280 nan 8.240 nan 0.000 0.427 55 Q N 0.188 119.867 119.800 -0.202 0.000 2.061 55 Q HA -0.193 4.148 4.340 0.001 0.000 0.204 55 Q C 2.469 178.389 176.000 -0.134 0.000 0.984 55 Q CA 1.246 56.951 55.803 -0.165 0.000 0.846 55 Q CB -0.047 28.616 28.738 -0.124 0.000 0.902 55 Q HN 0.268 nan 8.270 nan 0.000 0.421 56 Q N 0.474 120.211 119.800 -0.104 0.000 2.096 56 Q HA -0.201 4.140 4.340 0.001 0.000 0.204 56 Q C 1.903 177.850 176.000 -0.088 0.000 0.982 56 Q CA 1.755 57.508 55.803 -0.083 0.000 0.850 56 Q CB -0.208 28.496 28.738 -0.057 0.000 0.901 56 Q HN 0.513 nan 8.270 nan 0.000 0.422 57 Q N -0.563 119.187 119.800 -0.085 0.000 2.119 57 Q HA -0.063 4.278 4.340 0.001 0.000 0.201 57 Q C 2.144 178.090 176.000 -0.090 0.000 0.972 57 Q CA 0.987 56.751 55.803 -0.065 0.000 0.847 57 Q CB -0.031 28.682 28.738 -0.042 0.000 0.903 57 Q HN 0.391 nan 8.270 nan 0.000 0.433 58 I N 0.380 120.869 120.570 -0.136 0.000 2.252 58 I HA -0.279 3.892 4.170 0.001 0.000 0.245 58 I C 2.293 178.233 176.117 -0.294 0.000 1.102 58 I CA 1.165 62.344 61.300 -0.202 0.000 1.385 58 I CB -0.232 37.640 38.000 -0.213 0.000 1.064 58 I HN 0.219 nan 8.210 nan 0.000 0.414 59 Q N 0.720 120.369 119.800 -0.251 0.000 2.079 59 Q HA -0.153 4.187 4.340 0.001 0.000 0.200 59 Q C 2.511 178.381 176.000 -0.216 0.000 0.974 59 Q CA 1.617 57.252 55.803 -0.280 0.000 0.840 59 Q CB -0.268 28.356 28.738 -0.191 0.000 0.898 59 Q HN 0.577 nan 8.270 nan 0.000 0.430 60 A N 1.175 123.913 122.820 -0.136 0.000 1.902 60 A HA -0.133 4.187 4.320 0.001 0.000 0.217 60 A C 2.279 179.820 177.584 -0.071 0.000 1.181 60 A CA 1.677 53.667 52.037 -0.079 0.000 0.623 60 A CB -0.712 18.262 19.000 -0.044 0.000 0.818 60 A HN 0.395 nan 8.150 nan 0.000 0.443 61 A N -0.793 121.974 122.820 -0.088 0.000 1.929 61 A HA -0.007 4.313 4.320 0.001 0.000 0.216 61 A C 2.224 179.759 177.584 -0.083 0.000 1.176 61 A CA 1.606 53.636 52.037 -0.011 0.000 0.628 61 A CB -0.458 18.592 19.000 0.083 0.000 0.816 61 A HN 0.515 nan 8.150 nan 0.000 0.444 62 M N -1.736 117.598 119.600 -0.442 0.000 2.349 62 M HA 0.093 4.574 4.480 0.001 0.000 0.266 62 M C 1.554 177.724 176.300 -0.217 0.000 1.076 62 M CA 1.060 55.967 55.300 -0.654 0.000 1.126 62 M CB -0.049 31.892 32.600 -1.099 0.000 1.392 62 M HN 0.654 nan 8.290 nan 0.000 0.440 63 G N 1.703 110.408 108.800 -0.158 0.000 2.143 63 G HA2 -0.277 3.684 3.960 0.001 0.000 0.249 63 G HA3 -0.277 3.684 3.960 0.001 0.000 0.249 63 G C -0.115 174.857 174.900 0.119 0.000 0.981 63 G CA 0.374 45.477 45.100 0.004 0.000 0.665 63 G HN 0.581 nan 8.290 nan 0.000 0.528 64 F N -2.077 117.806 119.950 -0.113 0.000 2.741 64 F HA 0.773 5.300 4.527 0.001 0.000 0.311 64 F C -0.834 174.920 175.800 -0.077 0.000 1.149 64 F CA -1.975 55.979 58.000 -0.076 0.000 0.930 64 F CB 0.790 39.735 39.000 -0.091 0.000 1.312 64 F HN -0.006 nan 8.300 nan 0.000 0.450 65 K N 2.353 122.809 120.400 0.093 0.000 2.235 65 K HA 0.422 4.742 4.320 0.001 0.000 0.266 65 K C 0.256 176.966 176.600 0.183 0.000 0.980 65 K CA -0.800 55.490 56.287 0.005 0.000 0.849 65 K CB 2.702 35.217 32.500 0.025 0.000 1.098 65 K HN 0.756 nan 8.250 nan 0.000 0.445 66 I N 2.079 122.710 120.570 0.101 0.000 2.454 66 I HA -0.230 3.941 4.170 0.001 0.000 0.254 66 I C 1.222 177.413 176.117 0.124 0.000 1.156 66 I CA 1.720 63.150 61.300 0.217 0.000 1.433 66 I CB -0.097 38.021 38.000 0.196 0.000 1.082 66 I HN 0.638 nan 8.210 nan 0.000 0.432 67 D N 0.520 120.967 120.400 0.079 0.000 2.269 67 D HA -0.083 4.558 4.640 0.001 0.000 0.208 67 D C 0.470 176.801 176.300 0.052 0.000 0.963 67 D CA 0.502 54.535 54.000 0.055 0.000 0.864 67 D CB -0.323 40.514 40.800 0.061 0.000 0.936 67 D HN 0.355 nan 8.370 nan 0.000 0.505 68 D N 0.998 121.443 120.400 0.076 0.000 2.423 68 D HA -0.042 4.599 4.640 0.001 0.000 0.238 68 D C 0.571 176.899 176.300 0.046 0.000 1.142 68 D CA 0.171 54.212 54.000 0.067 0.000 0.884 68 D CB 0.566 41.425 40.800 0.098 0.000 1.199 68 D HN -0.072 nan 8.370 nan 0.000 0.438 69 K N 0.586 121.004 120.400 0.030 0.000 2.477 69 K HA 0.014 4.335 4.320 0.001 0.000 0.275 69 K C 1.097 177.704 176.600 0.012 0.000 1.054 69 K CA 1.036 57.332 56.287 0.014 0.000 1.135 69 K CB 0.049 32.555 32.500 0.010 0.000 0.854 69 K HN 0.711 nan 8.250 nan 0.000 0.484 70 G N 3.408 112.207 108.800 -0.002 0.000 2.234 70 G HA2 -0.292 3.669 3.960 0.001 0.000 0.260 70 G HA3 -0.292 3.669 3.960 0.001 0.000 0.260 70 G C 0.877 175.765 174.900 -0.019 0.000 0.987 70 G CA 0.345 45.438 45.100 -0.011 0.000 0.625 70 G HN 0.505 nan 8.290 nan 0.000 0.532 71 M N 0.579 120.174 119.600 -0.009 0.000 2.081 71 M HA 0.210 4.691 4.480 0.001 0.000 0.261 71 M C 3.035 179.330 176.300 -0.008 0.000 1.075 71 M CA 2.270 57.552 55.300 -0.030 0.000 1.133 71 M CB -1.711 30.923 32.600 0.056 0.000 1.330 71 M HN 0.629 nan 8.290 nan 0.000 0.414 72 A N 0.801 123.625 122.820 0.006 0.000 1.877 72 A HA -0.102 4.218 4.320 0.001 0.000 0.216 72 A C -0.216 177.354 177.584 -0.024 0.000 1.186 72 A CA 1.536 53.559 52.037 -0.023 0.000 0.620 72 A CB -2.129 16.764 19.000 -0.178 0.000 0.822 72 A HN 0.319 nan 8.150 nan 0.000 0.443 73 P HA -0.143 nan 4.420 nan 0.000 0.215 73 P C 1.695 179.023 177.300 0.047 0.000 1.153 73 P CA 2.019 65.118 63.100 -0.002 0.000 0.853 73 P CB -0.129 31.564 31.700 -0.012 0.000 0.788 74 A N -0.888 121.945 122.820 0.022 0.000 1.969 74 A HA -0.128 4.192 4.320 0.001 0.000 0.218 74 A C 2.217 179.860 177.584 0.098 0.000 1.169 74 A CA 1.240 53.298 52.037 0.034 0.000 0.635 74 A CB -1.564 17.421 19.000 -0.025 0.000 0.810 74 A HN 0.114 nan 8.150 nan 0.000 0.445 75 L N -1.227 120.044 121.223 0.081 0.000 2.056 75 L HA -0.142 4.199 4.340 0.001 0.000 0.207 75 L C 2.856 179.838 176.870 0.187 0.000 1.078 75 L CA 1.132 56.054 54.840 0.137 0.000 0.749 75 L CB -0.445 41.692 42.059 0.130 0.000 0.901 75 L HN 0.358 nan 8.230 nan 0.000 0.433 76 R N -0.922 119.666 120.500 0.146 0.000 2.096 76 R HA -0.225 4.116 4.340 0.001 0.000 0.235 76 R C 2.255 178.676 176.300 0.203 0.000 1.127 76 R CA 1.733 57.924 56.100 0.152 0.000 0.968 76 R CB -0.497 29.841 30.300 0.065 0.000 0.861 76 R HN 0.431 nan 8.270 nan 0.000 0.440 77 H N 0.533 119.660 119.070 0.094 0.000 2.321 77 H HA -0.129 4.428 4.556 0.001 0.000 0.300 77 H C 1.990 177.373 175.328 0.092 0.000 1.087 77 H CA 1.663 57.760 56.048 0.083 0.000 1.319 77 H CB -0.099 29.697 29.762 0.057 0.000 1.379 77 H HN 0.054 nan 8.280 nan 0.000 0.501 78 L N -0.087 121.278 121.223 0.237 0.000 2.012 78 L HA -0.211 4.130 4.340 0.001 0.000 0.210 78 L C 2.147 179.042 176.870 0.041 0.000 1.073 78 L CA 2.074 56.982 54.840 0.113 0.000 0.748 78 L CB -1.311 40.831 42.059 0.138 0.000 0.891 78 L HN 0.435 nan 8.230 nan 0.000 0.431 79 Y N 0.420 120.751 120.300 0.051 0.000 2.128 79 Y HA -0.310 4.241 4.550 0.001 0.000 0.284 79 Y C 2.510 178.412 175.900 0.003 0.000 1.154 79 Y CA 2.334 60.473 58.100 0.065 0.000 1.149 79 Y CB -0.218 38.312 38.460 0.117 0.000 0.976 79 Y HN 0.204 nan 8.280 nan 0.000 0.505 80 K N -0.028 120.382 120.400 0.016 0.000 2.009 80 K HA -0.270 4.050 4.320 0.001 0.000 0.210 80 K C 2.126 178.643 176.600 -0.140 0.000 1.049 80 K CA 1.976 58.209 56.287 -0.089 0.000 0.929 80 K CB -0.308 32.164 32.500 -0.046 0.000 0.714 80 K HN 0.370 nan 8.250 nan 0.000 0.440 81 E N 0.920 121.042 120.200 -0.130 0.000 2.070 81 E HA -0.191 4.160 4.350 0.001 0.000 0.197 81 E C 1.840 178.549 176.600 0.182 0.000 1.004 81 E CA 1.224 57.628 56.400 0.007 0.000 0.805 81 E CB -0.066 29.611 29.700 -0.039 0.000 0.744 81 E HN 0.195 nan 8.360 nan 0.000 0.451 82 L N -0.064 121.148 121.223 -0.019 0.000 2.353 82 L HA -0.130 4.211 4.340 0.001 0.000 0.220 82 L C 2.061 178.784 176.870 -0.245 0.000 1.133 82 L CA 0.646 55.484 54.840 -0.003 0.000 0.798 82 L CB -0.197 41.740 42.059 -0.203 0.000 0.922 82 L HN 0.265 nan 8.230 nan 0.000 0.445 83 M N -0.494 118.930 119.600 -0.293 0.000 2.495 83 M HA 0.150 4.631 4.480 0.001 0.000 0.237 83 M C 1.248 177.362 176.300 -0.310 0.000 1.131 83 M CA -0.105 54.992 55.300 -0.338 0.000 1.032 83 M CB -0.206 32.192 32.600 -0.336 0.000 1.513 83 M HN 0.195 nan 8.290 nan 0.000 0.488 84 G N 1.772 110.406 108.800 -0.276 0.000 2.750 84 G HA2 0.048 4.009 3.960 0.001 0.000 0.250 84 G HA3 0.048 4.009 3.960 0.001 0.000 0.250 84 G C -1.943 172.747 174.900 -0.351 0.000 1.230 84 G CA -0.822 44.173 45.100 -0.175 0.000 0.883 84 G HN 0.144 nan 8.290 nan 0.000 0.573 85 P HA -0.074 nan 4.420 nan 0.000 0.221 85 P C 1.767 179.040 177.300 -0.046 0.000 1.150 85 P CA 1.292 64.349 63.100 -0.071 0.000 0.800 85 P CB -0.007 31.713 31.700 0.035 0.000 0.787 86 W N -0.044 121.295 121.300 0.065 0.000 2.374 86 W HA -0.039 4.622 4.660 0.001 0.000 0.288 86 W C 0.172 176.800 176.519 0.183 0.000 1.218 86 W CA 0.256 57.680 57.345 0.132 0.000 1.245 86 W CB -1.832 27.672 29.460 0.072 0.000 1.126 86 W HN -0.027 nan 8.180 nan 0.000 0.545 87 N N 2.847 120.965 118.700 -0.970 0.000 2.421 87 N HA -0.017 4.724 4.740 0.001 0.000 0.260 87 N C -0.123 175.183 175.510 -0.340 0.000 1.173 87 N CA 0.241 52.759 53.050 -0.886 0.000 0.960 87 N CB 0.357 38.003 38.487 -1.402 0.000 1.273 87 N HN -0.121 nan 8.380 nan 0.000 0.497 88 K N 2.962 123.289 120.400 -0.121 0.000 3.006 88 K HA 0.063 4.383 4.320 0.001 0.000 0.265 88 K C -0.490 176.040 176.600 -0.117 0.000 1.279 88 K CA -0.204 56.015 56.287 -0.114 0.000 1.229 88 K CB -0.484 31.944 32.500 -0.119 0.000 1.555 88 K HN 0.505 nan 8.250 nan 0.000 0.300 89 D N 0.987 121.309 120.400 -0.131 0.000 2.751 89 D HA -0.191 4.450 4.640 0.001 0.000 0.233 89 D C 0.593 176.859 176.300 -0.056 0.000 1.149 89 D CA 0.948 54.896 54.000 -0.085 0.000 0.682 89 D CB -0.652 40.106 40.800 -0.069 0.000 1.068 89 D HN 0.526 nan 8.370 nan 0.000 0.429 90 E N -0.579 119.561 120.200 -0.100 0.000 2.122 90 E HA 0.059 4.409 4.350 0.001 0.000 0.190 90 E C 0.912 177.480 176.600 -0.054 0.000 0.977 90 E CA 0.643 56.947 56.400 -0.160 0.000 0.820 90 E CB 0.441 30.061 29.700 -0.134 0.000 0.770 90 E HN 0.425 nan 8.360 nan 0.000 0.462 91 I N 0.690 121.316 120.570 0.093 0.000 2.418 91 I HA 0.204 4.374 4.170 0.001 0.000 0.287 91 I C -0.747 175.466 176.117 0.159 0.000 1.008 91 I CA -0.484 60.965 61.300 0.249 0.000 1.104 91 I CB 2.164 40.327 38.000 0.273 0.000 1.264 91 I HN -0.223 nan 8.210 nan 0.000 0.438 92 S N 3.818 119.666 115.700 0.246 0.000 2.669 92 S HA 0.541 5.012 4.470 0.001 0.000 0.315 92 S C -0.094 174.648 174.600 0.237 0.000 1.106 92 S CA -0.715 57.600 58.200 0.190 0.000 1.107 92 S CB 1.389 64.689 63.200 0.167 0.000 0.990 92 S HN 0.755 nan 8.310 nan 0.000 0.471 93 T N -0.199 114.483 114.554 0.212 0.000 2.932 93 T HA 0.811 5.162 4.350 0.001 0.000 0.289 93 T C -0.440 174.406 174.700 0.243 0.000 1.039 93 T CA -0.765 61.484 62.100 0.249 0.000 1.024 93 T CB 1.998 71.038 68.868 0.287 0.000 1.090 93 T HN 0.351 nan 8.240 nan 0.000 0.496 94 T N 1.230 115.923 114.554 0.231 0.000 3.071 94 T HA 0.416 4.766 4.350 0.001 0.000 0.311 94 T C -2.057 172.757 174.700 0.189 0.000 1.042 94 T CA -0.718 61.521 62.100 0.230 0.000 1.028 94 T CB 1.008 70.017 68.868 0.235 0.000 1.068 94 T HN 0.736 nan 8.240 nan 0.000 0.451 95 D N 3.047 123.533 120.400 0.144 0.000 2.278 95 D HA 0.657 5.298 4.640 0.001 0.000 0.245 95 D C -0.609 175.720 176.300 0.048 0.000 1.052 95 D CA -0.463 53.577 54.000 0.067 0.000 0.834 95 D CB 2.011 42.793 40.800 -0.030 0.000 1.194 95 D HN 0.700 nan 8.370 nan 0.000 0.481 96 A N 2.418 125.245 122.820 0.013 0.000 2.455 96 A HA 0.605 4.926 4.320 0.001 0.000 0.300 96 A C -0.871 176.578 177.584 -0.225 0.000 1.040 96 A CA -0.698 51.214 52.037 -0.208 0.000 0.697 96 A CB 1.066 19.850 19.000 -0.359 0.000 1.265 96 A HN 0.525 nan 8.150 nan 0.000 0.407 97 I N 1.782 122.132 120.570 -0.366 0.000 2.354 97 I HA 0.443 4.613 4.170 0.001 0.000 0.292 97 I C -1.199 174.635 176.117 -0.471 0.000 0.989 97 I CA -0.255 60.886 61.300 -0.266 0.000 1.188 97 I CB 1.262 39.150 38.000 -0.188 0.000 1.342 97 I HN 0.544 nan 8.210 nan 0.000 0.457 98 F N 5.895 125.775 119.950 -0.116 0.000 2.444 98 F HA 0.580 5.109 4.527 0.002 0.000 0.342 98 F C 0.024 175.822 175.800 -0.002 0.000 1.121 98 F CA -0.770 57.171 58.000 -0.099 0.000 0.997 98 F CB 1.778 40.769 39.000 -0.015 0.000 1.130 98 F HN 0.101 nan 8.300 nan 0.000 0.454 99 V N 3.218 123.172 119.914 0.066 0.000 2.864 99 V HA 0.425 4.546 4.120 0.001 0.000 0.314 99 V C -0.660 175.475 176.094 0.069 0.000 1.073 99 V CA -0.885 61.454 62.300 0.065 0.000 0.956 99 V CB 1.975 33.732 31.823 -0.109 0.000 1.023 99 V HN 0.707 nan 8.190 nan 0.000 0.435 100 Q N 3.582 123.478 119.800 0.161 0.000 2.339 100 Q HA -0.056 4.284 4.340 0.001 0.000 0.308 100 Q C 1.232 177.212 176.000 -0.034 0.000 1.097 100 Q CA 1.293 57.154 55.803 0.096 0.000 1.007 100 Q CB 0.133 28.941 28.738 0.117 0.000 1.051 100 Q HN 0.699 nan 8.270 nan 0.000 0.381 101 R N 3.120 123.565 120.500 -0.093 0.000 2.103 101 R HA -0.194 4.147 4.340 0.001 0.000 0.242 101 R C 0.689 176.954 176.300 -0.058 0.000 1.142 101 R CA 2.115 58.159 56.100 -0.092 0.000 0.960 101 R CB 0.056 30.292 30.300 -0.106 0.000 0.858 101 R HN 0.884 nan 8.270 nan 0.000 0.439 102 D N -0.208 120.168 120.400 -0.039 0.000 2.340 102 D HA -0.054 4.587 4.640 0.001 0.000 0.217 102 D C 0.075 176.362 176.300 -0.022 0.000 1.081 102 D CA -0.292 53.692 54.000 -0.027 0.000 0.842 102 D CB -0.153 40.636 40.800 -0.018 0.000 0.934 102 D HN 0.126 nan 8.370 nan 0.000 0.511 103 L N 1.565 122.771 121.223 -0.028 0.000 2.418 103 L HA 0.153 4.494 4.340 0.001 0.000 0.274 103 L C 0.400 177.248 176.870 -0.037 0.000 1.135 103 L CA -0.296 54.526 54.840 -0.030 0.000 0.870 103 L CB 0.443 42.477 42.059 -0.041 0.000 1.154 103 L HN -0.124 nan 8.230 nan 0.000 0.462 104 K N 6.023 126.408 120.400 -0.025 0.000 2.453 104 K HA 0.124 4.445 4.320 0.001 0.000 0.280 104 K C -0.895 175.686 176.600 -0.032 0.000 1.045 104 K CA -0.035 56.240 56.287 -0.020 0.000 1.059 104 K CB 0.075 32.570 32.500 -0.008 0.000 0.901 104 K HN 0.677 nan 8.250 nan 0.000 0.475 105 L N 4.014 125.219 121.223 -0.031 0.000 2.360 105 L HA 0.277 4.618 4.340 0.001 0.000 0.271 105 L C 0.216 177.089 176.870 0.006 0.000 1.057 105 L CA -1.288 53.524 54.840 -0.046 0.000 0.803 105 L CB 1.572 43.598 42.059 -0.056 0.000 1.207 105 L HN 0.309 nan 8.230 nan 0.000 0.445 106 V N 1.715 121.636 119.914 0.012 0.000 2.694 106 V HA -0.096 4.025 4.120 0.001 0.000 0.306 106 V C 0.538 176.709 176.094 0.129 0.000 1.054 106 V CA -0.100 62.245 62.300 0.074 0.000 1.161 106 V CB 0.289 32.171 31.823 0.098 0.000 0.916 106 V HN 0.744 nan 8.190 nan 0.000 0.490 107 Q N 3.110 122.968 119.800 0.097 0.000 2.269 107 Q HA 0.229 4.570 4.340 0.001 0.000 0.300 107 Q C 1.346 177.423 176.000 0.129 0.000 1.070 107 Q CA 0.966 56.826 55.803 0.094 0.000 0.957 107 Q CB 0.224 28.999 28.738 0.063 0.000 1.131 107 Q HN 1.191 nan 8.270 nan 0.000 0.377 108 G N 2.607 111.485 108.800 0.129 0.000 2.179 108 G HA2 -0.353 3.608 3.960 0.001 0.000 0.260 108 G HA3 -0.353 3.608 3.960 0.001 0.000 0.260 108 G C 0.250 175.267 174.900 0.195 0.000 0.977 108 G CA 0.407 45.584 45.100 0.129 0.000 0.641 108 G HN 0.728 nan 8.290 nan 0.000 0.533 109 F N 0.889 120.912 119.950 0.122 0.000 2.113 109 F HA 0.087 4.614 4.527 0.001 0.000 0.297 109 F C 2.630 178.541 175.800 0.185 0.000 1.103 109 F CA 2.373 60.470 58.000 0.162 0.000 1.248 109 F CB -0.141 38.922 39.000 0.105 0.000 0.999 109 F HN 0.178 nan 8.300 nan 0.000 0.475 110 M N 0.535 120.228 119.600 0.155 0.000 2.086 110 M HA -0.083 4.397 4.480 0.001 0.000 0.261 110 M C -0.346 176.004 176.300 0.084 0.000 1.067 110 M CA 1.691 57.035 55.300 0.074 0.000 1.116 110 M CB -2.475 30.198 32.600 0.122 0.000 1.348 110 M HN 0.057 nan 8.290 nan 0.000 0.407 111 P HA -0.149 nan 4.420 nan 0.000 0.217 111 P C 1.444 178.840 177.300 0.159 0.000 1.150 111 P CA 1.418 64.599 63.100 0.135 0.000 0.832 111 P CB -0.307 31.445 31.700 0.087 0.000 0.787 112 H N -0.945 118.098 119.070 -0.045 0.000 2.321 112 H HA -0.119 4.438 4.556 0.001 0.000 0.300 112 H C 1.803 177.011 175.328 -0.200 0.000 1.087 112 H CA 1.410 57.383 56.048 -0.124 0.000 1.319 112 H CB -1.258 28.423 29.762 -0.136 0.000 1.379 112 H HN 0.029 nan 8.280 nan 0.000 0.501 113 F N -0.323 119.324 119.950 -0.506 0.000 2.095 113 F HA -0.194 4.333 4.527 0.001 0.000 0.298 113 F C 2.334 178.039 175.800 -0.159 0.000 1.104 113 F CA 1.647 59.383 58.000 -0.440 0.000 1.232 113 F CB -0.647 38.047 39.000 -0.510 0.000 0.987 113 F HN 0.221 nan 8.300 nan 0.000 0.475 114 F N 0.828 120.827 119.950 0.082 0.000 2.134 114 F HA -0.187 4.340 4.527 0.001 0.000 0.299 114 F C 2.600 178.353 175.800 -0.078 0.000 1.097 114 F CA 1.683 59.716 58.000 0.054 0.000 1.264 114 F CB -0.400 38.640 39.000 0.068 0.000 1.001 114 F HN -0.206 nan 8.300 nan 0.000 0.479 115 R N 0.132 120.595 120.500 -0.061 0.000 2.083 115 R HA -0.186 4.154 4.340 0.001 0.000 0.237 115 R C 2.229 178.306 176.300 -0.371 0.000 1.137 115 R CA 1.997 57.996 56.100 -0.169 0.000 0.951 115 R CB -0.471 29.807 30.300 -0.036 0.000 0.851 115 R HN 0.373 nan 8.270 nan 0.000 0.434 116 L N -1.147 119.722 121.223 -0.590 0.000 2.109 116 L HA -0.080 4.260 4.340 0.001 0.000 0.207 116 L C 1.412 177.683 176.870 -0.997 0.000 1.086 116 L CA 1.188 55.458 54.840 -0.951 0.000 0.760 116 L CB -0.125 40.986 42.059 -1.581 0.000 0.910 116 L HN 0.190 nan 8.230 nan 0.000 0.437 117 F N -1.874 117.797 119.950 -0.465 0.000 2.746 117 F HA 0.280 4.808 4.527 0.002 0.000 0.313 117 F C 0.696 176.250 175.800 -0.411 0.000 1.095 117 F CA -0.669 57.060 58.000 -0.452 0.000 1.224 117 F CB 0.177 38.811 39.000 -0.610 0.000 1.060 117 F HN -0.166 nan 8.300 nan 0.000 0.584 118 R N 1.289 121.508 120.500 -0.469 0.000 3.531 118 R HA -0.158 4.182 4.340 0.001 0.000 0.280 118 R C -0.328 175.878 176.300 -0.157 0.000 1.130 118 R CA 0.789 56.447 56.100 -0.737 0.000 0.757 118 R CB -2.767 27.281 30.300 -0.419 0.000 1.218 118 R HN 0.528 nan 8.270 nan 0.000 0.454 119 S N -2.939 112.866 115.700 0.174 0.000 2.752 119 S HA 0.758 5.229 4.470 0.001 0.000 0.284 119 S C -0.001 174.952 174.600 0.589 0.000 1.189 119 S CA -0.164 58.281 58.200 0.407 0.000 0.835 119 S CB 2.884 66.228 63.200 0.240 0.000 1.192 119 S HN 0.301 nan 8.310 nan 0.000 0.506 120 T N -2.153 112.588 114.554 0.313 0.000 2.888 120 T HA 0.733 5.084 4.350 0.001 0.000 0.288 120 T C -0.728 173.781 174.700 -0.319 0.000 1.063 120 T CA -0.832 61.308 62.100 0.066 0.000 1.010 120 T CB 1.022 69.893 68.868 0.005 0.000 1.214 120 T HN 0.686 nan 8.240 nan 0.000 0.533 121 V N 2.272 121.838 119.914 -0.581 0.000 2.455 121 V HA 0.333 4.454 4.120 0.001 0.000 0.273 121 V C 0.247 176.086 176.094 -0.425 0.000 1.045 121 V CA -0.539 61.428 62.300 -0.555 0.000 0.976 121 V CB 0.404 31.935 31.823 -0.486 0.000 0.993 121 V HN 0.772 nan 8.190 nan 0.000 0.475 122 K N 3.836 123.888 120.400 -0.579 0.000 2.237 122 K HA 0.391 4.712 4.320 0.001 0.000 0.270 122 K C -0.184 176.207 176.600 -0.348 0.000 1.015 122 K CA 0.083 56.021 56.287 -0.581 0.000 0.949 122 K CB 0.451 32.310 32.500 -1.068 0.000 0.976 122 K HN 0.637 nan 8.250 nan 0.000 0.472 123 Q N 1.227 120.888 119.800 -0.232 0.000 2.394 123 Q HA 0.415 4.755 4.340 0.001 0.000 0.261 123 Q C -1.571 174.334 176.000 -0.159 0.000 1.023 123 Q CA -0.622 55.083 55.803 -0.164 0.000 0.720 123 Q CB 2.057 30.714 28.738 -0.134 0.000 1.241 123 Q HN 0.295 nan 8.270 nan 0.000 0.483 124 V N 2.028 121.798 119.914 -0.239 0.000 2.735 124 V HA 0.338 4.459 4.120 0.001 0.000 0.310 124 V C -1.351 174.455 176.094 -0.481 0.000 1.061 124 V CA -0.654 61.436 62.300 -0.349 0.000 0.913 124 V CB 2.244 33.797 31.823 -0.450 0.000 1.005 124 V HN 0.668 nan 8.190 nan 0.000 0.428 125 D N 4.696 124.907 120.400 -0.316 0.000 2.441 125 D HA 0.229 4.869 4.640 0.001 0.000 0.221 125 D C 0.612 176.799 176.300 -0.187 0.000 1.156 125 D CA -0.086 53.793 54.000 -0.202 0.000 0.896 125 D CB 0.353 41.097 40.800 -0.093 0.000 1.028 125 D HN 0.417 nan 8.370 nan 0.000 0.509 126 F N 1.415 121.343 119.950 -0.036 0.000 2.333 126 F HA -0.142 4.386 4.527 0.001 0.000 0.300 126 F C 2.688 178.469 175.800 -0.031 0.000 1.083 126 F CA 0.915 58.889 58.000 -0.043 0.000 1.395 126 F CB -0.522 38.442 39.000 -0.060 0.000 1.056 126 F HN 0.401 nan 8.300 nan 0.000 0.529 127 S N -0.894 114.884 115.700 0.131 0.000 2.402 127 S HA -0.122 4.349 4.470 0.001 0.000 0.229 127 S C 0.905 175.535 174.600 0.050 0.000 1.021 127 S CA 0.748 58.993 58.200 0.075 0.000 0.974 127 S CB -0.410 62.819 63.200 0.047 0.000 0.800 127 S HN 0.196 nan 8.310 nan 0.000 0.484 128 E N 2.231 122.451 120.200 0.033 0.000 1.802 128 E HA 0.265 4.616 4.350 0.001 0.000 0.265 128 E C 1.127 177.750 176.600 0.040 0.000 1.168 128 E CA -0.147 56.267 56.400 0.023 0.000 1.033 128 E CB 0.805 30.506 29.700 0.002 0.000 1.095 128 E HN 0.265 nan 8.360 nan 0.000 0.436 129 V N 2.303 122.249 119.914 0.053 0.000 2.233 129 V HA -0.286 3.835 4.120 0.001 0.000 0.247 129 V C 2.106 178.243 176.094 0.071 0.000 1.050 129 V CA 1.636 63.980 62.300 0.073 0.000 1.010 129 V CB -0.162 31.695 31.823 0.057 0.000 0.637 129 V HN 0.445 nan 8.190 nan 0.000 0.444 130 E N -0.095 120.138 120.200 0.055 0.000 2.118 130 E HA -0.234 4.117 4.350 0.001 0.000 0.195 130 E C 2.290 178.944 176.600 0.091 0.000 0.992 130 E CA 1.341 57.781 56.400 0.067 0.000 0.804 130 E CB -0.401 29.326 29.700 0.046 0.000 0.741 130 E HN 0.429 nan 8.360 nan 0.000 0.458 131 R N 1.128 121.664 120.500 0.059 0.000 2.066 131 R HA -0.014 4.327 4.340 0.001 0.000 0.232 131 R C 2.146 178.506 176.300 0.101 0.000 1.131 131 R CA 1.803 57.944 56.100 0.069 0.000 0.955 131 R CB -0.910 29.397 30.300 0.012 0.000 0.851 131 R HN 0.116 nan 8.270 nan 0.000 0.432 132 A N 0.672 123.509 122.820 0.029 0.000 1.948 132 A HA -0.224 4.097 4.320 0.001 0.000 0.220 132 A C 2.295 179.863 177.584 -0.026 0.000 1.177 132 A CA 1.879 53.883 52.037 -0.055 0.000 0.636 132 A CB -0.645 18.302 19.000 -0.089 0.000 0.815 132 A HN 0.441 nan 8.150 nan 0.000 0.449 133 R N -1.886 118.648 120.500 0.056 0.000 2.090 133 R HA -0.086 4.255 4.340 0.001 0.000 0.228 133 R C 1.977 178.313 176.300 0.060 0.000 1.110 133 R CA 1.487 57.616 56.100 0.049 0.000 0.973 133 R CB -0.411 29.939 30.300 0.083 0.000 0.869 133 R HN 0.511 nan 8.270 nan 0.000 0.440 134 F N 1.234 121.179 119.950 -0.008 0.000 2.126 134 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 134 F C 1.772 177.568 175.800 -0.007 0.000 1.096 134 F CA 1.579 59.577 58.000 -0.003 0.000 1.255 134 F CB -0.123 38.879 39.000 0.003 0.000 0.997 134 F HN -0.032 nan 8.300 nan 0.000 0.479 135 I N 0.150 120.770 120.570 0.084 0.000 2.179 135 I HA -0.322 3.849 4.170 0.001 0.000 0.242 135 I C 2.407 178.477 176.117 -0.078 0.000 1.088 135 I CA 1.593 62.904 61.300 0.018 0.000 1.357 135 I CB -0.515 37.525 38.000 0.067 0.000 1.051 135 I HN 0.155 nan 8.210 nan 0.000 0.409 136 I N 0.715 121.159 120.570 -0.211 0.000 2.179 136 I HA -0.297 3.874 4.170 0.001 0.000 0.242 136 I C 2.250 178.312 176.117 -0.092 0.000 1.088 136 I CA 1.298 62.389 61.300 -0.348 0.000 1.357 136 I CB -0.524 37.110 38.000 -0.611 0.000 1.051 136 I HN 0.292 nan 8.210 nan 0.000 0.409 137 N N 0.766 119.386 118.700 -0.134 0.000 2.069 137 N HA -0.245 4.496 4.740 0.001 0.000 0.191 137 N C 1.539 176.946 175.510 -0.171 0.000 1.031 137 N CA 1.788 54.758 53.050 -0.134 0.000 0.852 137 N CB -0.515 37.865 38.487 -0.178 0.000 1.018 137 N HN 0.385 nan 8.380 nan 0.000 0.423 138 D N -0.139 120.070 120.400 -0.317 0.000 2.117 138 D HA -0.152 4.489 4.640 0.001 0.000 0.198 138 D C 1.842 178.123 176.300 -0.032 0.000 0.982 138 D CA 0.714 54.530 54.000 -0.306 0.000 0.828 138 D CB -0.066 40.388 40.800 -0.578 0.000 0.967 138 D HN 0.333 nan 8.370 nan 0.000 0.464 139 W N 0.837 122.113 121.300 -0.040 0.000 2.318 139 W HA -0.226 4.434 4.660 0.001 0.000 0.313 139 W C 1.663 178.306 176.519 0.207 0.000 1.221 139 W CA 1.080 58.517 57.345 0.154 0.000 1.266 139 W CB -0.572 29.018 29.460 0.216 0.000 1.150 139 W HN -0.070 nan 8.180 nan 0.000 0.496 140 V N 1.212 121.295 119.914 0.282 0.000 2.307 140 V HA -0.301 3.819 4.120 0.001 0.000 0.245 140 V C 2.568 178.693 176.094 0.052 0.000 1.045 140 V CA 2.413 64.835 62.300 0.202 0.000 1.024 140 V CB -0.946 30.992 31.823 0.193 0.000 0.651 140 V HN 0.082 nan 8.190 nan 0.000 0.449 141 K N 0.438 120.827 120.400 -0.019 0.000 2.001 141 K HA -0.247 4.073 4.320 0.001 0.000 0.214 141 K C 2.148 178.673 176.600 -0.124 0.000 1.050 141 K CA 2.326 58.563 56.287 -0.082 0.000 0.934 141 K CB -0.456 31.965 32.500 -0.132 0.000 0.718 141 K HN 0.672 nan 8.250 nan 0.000 0.443 142 T N -2.372 112.079 114.554 -0.173 0.000 3.007 142 T HA -0.100 4.251 4.350 0.001 0.000 0.270 142 T C 1.114 175.548 174.700 -0.443 0.000 1.107 142 T CA 1.278 63.203 62.100 -0.292 0.000 1.118 142 T CB -0.348 68.317 68.868 -0.338 0.000 0.889 142 T HN 0.384 nan 8.240 nan 0.000 0.506 143 H N 0.781 119.673 119.070 -0.297 0.000 2.586 143 H HA 0.270 4.827 4.556 0.001 0.000 0.273 143 H C 1.370 176.635 175.328 -0.104 0.000 0.997 143 H CA 0.853 56.742 56.048 -0.264 0.000 1.177 143 H CB 0.621 30.131 29.762 -0.420 0.000 1.471 143 H HN 0.549 nan 8.280 nan 0.000 0.538 144 T N -2.131 112.417 114.554 -0.011 0.000 3.296 144 T HA 0.197 4.548 4.350 0.001 0.000 0.285 144 T C 0.394 175.048 174.700 -0.077 0.000 1.014 144 T CA -0.683 61.426 62.100 0.015 0.000 0.920 144 T CB -0.244 68.659 68.868 0.059 0.000 1.143 144 T HN 0.057 nan 8.240 nan 0.000 0.522 145 K N 1.153 121.483 120.400 -0.118 0.000 3.071 145 K HA -0.173 4.148 4.320 0.001 0.000 0.262 145 K C 1.207 177.698 176.600 -0.182 0.000 0.977 145 K CA 0.711 56.907 56.287 -0.152 0.000 0.721 145 K CB -1.828 30.591 32.500 -0.135 0.000 1.293 145 K HN 1.005 nan 8.250 nan 0.000 0.475 146 G N -0.777 107.924 108.800 -0.164 0.000 2.148 146 G HA2 -0.356 3.604 3.960 0.001 0.000 0.254 146 G HA3 -0.356 3.604 3.960 0.001 0.000 0.254 146 G C 0.695 175.488 174.900 -0.179 0.000 0.981 146 G CA 0.512 45.517 45.100 -0.158 0.000 0.670 146 G HN 0.248 nan 8.290 nan 0.000 0.528 147 M N -0.481 118.984 119.600 -0.224 0.000 2.357 147 M HA 0.310 4.791 4.480 0.001 0.000 0.266 147 M C 1.085 177.320 176.300 -0.107 0.000 1.095 147 M CA 0.947 56.071 55.300 -0.292 0.000 1.156 147 M CB -0.280 31.928 32.600 -0.653 0.000 1.365 147 M HN 0.182 nan 8.290 nan 0.000 0.447 148 I N 1.896 122.444 120.570 -0.037 0.000 2.361 148 I HA 0.199 4.370 4.170 0.001 0.000 0.282 148 I C 0.457 176.575 176.117 0.002 0.000 1.075 148 I CA -0.385 60.932 61.300 0.027 0.000 1.205 148 I CB -0.561 37.492 38.000 0.087 0.000 1.406 148 I HN 0.068 nan 8.210 nan 0.000 0.481 149 S N 4.429 120.124 115.700 -0.007 0.000 2.681 149 S HA 0.463 4.934 4.470 0.001 0.000 0.299 149 S C 0.410 175.029 174.600 0.033 0.000 1.113 149 S CA -0.347 57.823 58.200 -0.050 0.000 1.013 149 S CB 1.279 64.425 63.200 -0.090 0.000 1.076 149 S HN 0.637 nan 8.310 nan 0.000 0.534 150 H N -0.191 118.875 119.070 -0.007 0.000 2.626 150 H HA -0.116 4.441 4.556 0.002 0.000 0.317 150 H C 0.750 176.089 175.328 0.018 0.000 1.140 150 H CA 0.734 56.784 56.048 0.005 0.000 1.134 150 H CB -1.306 28.464 29.762 0.013 0.000 1.486 150 H HN 0.669 nan 8.280 nan 0.000 0.417 151 L N 0.095 121.377 121.223 0.098 0.000 2.013 151 L HA -0.085 4.255 4.340 0.001 0.000 0.212 151 L C 0.940 177.861 176.870 0.086 0.000 1.073 151 L CA 1.927 56.821 54.840 0.090 0.000 0.753 151 L CB 0.092 42.196 42.059 0.075 0.000 0.890 151 L HN 0.326 nan 8.230 nan 0.000 0.432 152 L N 0.283 121.555 121.223 0.080 0.000 2.280 152 L HA 0.493 4.833 4.340 0.001 0.000 0.287 152 L C 0.610 177.534 176.870 0.090 0.000 1.023 152 L CA -0.470 54.410 54.840 0.066 0.000 0.819 152 L CB 0.978 43.060 42.059 0.038 0.000 1.212 152 L HN 0.116 nan 8.230 nan 0.000 0.420 153 G N 1.100 109.936 108.800 0.061 0.000 2.580 153 G HA2 0.375 4.336 3.960 0.001 0.000 0.278 153 G HA3 0.375 4.336 3.960 0.001 0.000 0.278 153 G C 0.124 175.046 174.900 0.037 0.000 1.212 153 G CA -0.381 44.742 45.100 0.039 0.000 0.939 153 G HN 0.578 nan 8.290 nan 0.000 0.513 154 T N -2.195 112.374 114.554 0.026 0.000 2.934 154 T HA 0.360 4.711 4.350 0.001 0.000 0.306 154 T C 1.532 176.243 174.700 0.018 0.000 1.042 154 T CA 0.758 62.874 62.100 0.027 0.000 1.145 154 T CB 0.857 69.736 68.868 0.018 0.000 0.982 154 T HN 2.200 nan 8.240 nan 0.000 0.544 155 G N 1.875 110.686 108.800 0.019 0.000 2.184 155 G HA2 -0.200 3.761 3.960 0.001 0.000 0.264 155 G HA3 -0.200 3.761 3.960 0.001 0.000 0.264 155 G C 1.094 175.996 174.900 0.004 0.000 0.975 155 G CA 0.353 45.458 45.100 0.010 0.000 0.642 155 G HN 1.520 nan 8.290 nan 0.000 0.536 156 A N -0.940 121.887 122.820 0.010 0.000 2.019 156 A HA 0.455 4.776 4.320 0.001 0.000 0.219 156 A C 1.493 179.067 177.584 -0.018 0.000 1.164 156 A CA 2.440 54.479 52.037 0.003 0.000 0.644 156 A CB -0.285 18.724 19.000 0.015 0.000 0.805 156 A HN 1.946 nan 8.150 nan 0.000 0.449 157 V N -2.595 117.308 119.914 -0.017 0.000 3.040 157 V HA 0.731 4.852 4.120 0.001 0.000 0.312 157 V C -1.176 174.899 176.094 -0.033 0.000 1.115 157 V CA -0.595 61.671 62.300 -0.058 0.000 0.998 157 V CB 2.088 33.881 31.823 -0.051 0.000 1.042 157 V HN 0.421 nan 8.190 nan 0.000 0.433 158 D N 0.273 120.635 120.400 -0.063 0.000 2.837 158 D HA 0.309 4.949 4.640 0.001 0.000 0.294 158 D C 0.711 177.002 176.300 -0.016 0.000 1.158 158 D CA -0.532 53.454 54.000 -0.023 0.000 1.073 158 D CB 0.775 41.562 40.800 -0.020 0.000 1.419 158 D HN 0.396 nan 8.370 nan 0.000 0.584 159 Q N -0.681 119.122 119.800 0.005 0.000 2.226 159 Q HA 0.014 4.355 4.340 0.001 0.000 0.204 159 Q C 1.717 177.720 176.000 0.005 0.000 0.975 159 Q CA 1.038 56.855 55.803 0.024 0.000 0.866 159 Q CB 0.001 28.752 28.738 0.022 0.000 0.915 159 Q HN 0.481 nan 8.270 nan 0.000 0.440 160 L N 0.397 121.601 121.223 -0.033 0.000 2.592 160 L HA 0.100 4.441 4.340 0.001 0.000 0.227 160 L C 0.607 177.396 176.870 -0.136 0.000 1.127 160 L CA -0.127 54.684 54.840 -0.050 0.000 0.884 160 L CB 0.117 42.160 42.059 -0.026 0.000 1.065 160 L HN -0.089 nan 8.230 nan 0.000 0.457 161 T N 0.920 115.334 114.554 -0.233 0.000 2.867 161 T HA 0.086 4.437 4.350 0.001 0.000 0.297 161 T C 1.120 175.447 174.700 -0.621 0.000 0.989 161 T CA 0.100 61.892 62.100 -0.513 0.000 1.159 161 T CB 0.917 69.346 68.868 -0.731 0.000 0.928 161 T HN 0.164 nan 8.240 nan 0.000 0.538 162 R N 1.445 121.603 120.500 -0.569 0.000 2.435 162 R HA 0.324 4.665 4.340 0.001 0.000 0.221 162 R C -0.516 175.647 176.300 -0.228 0.000 0.885 162 R CA -0.128 55.800 56.100 -0.287 0.000 1.018 162 R CB 0.124 30.299 30.300 -0.209 0.000 1.259 162 R HN 0.443 nan 8.270 nan 0.000 0.597 163 L N 0.456 121.418 121.223 -0.435 0.000 2.505 163 L HA 0.525 4.866 4.340 0.001 0.000 0.266 163 L C -1.682 175.019 176.870 -0.281 0.000 0.954 163 L CA -0.731 53.926 54.840 -0.304 0.000 0.852 163 L CB 2.438 44.208 42.059 -0.482 0.000 1.282 163 L HN -0.255 nan 8.230 nan 0.000 0.403 164 V N 5.724 125.596 119.914 -0.069 0.000 2.733 164 V HA 0.537 4.658 4.120 0.001 0.000 0.306 164 V C -0.725 175.436 176.094 0.112 0.000 1.084 164 V CA -0.536 61.769 62.300 0.008 0.000 0.905 164 V CB 2.184 34.042 31.823 0.059 0.000 1.010 164 V HN 0.634 nan 8.190 nan 0.000 0.424 165 L N 5.617 126.891 121.223 0.085 0.000 2.322 165 L HA 0.872 5.213 4.340 0.001 0.000 0.281 165 L C -0.441 176.516 176.870 0.144 0.000 1.014 165 L CA -0.956 53.946 54.840 0.103 0.000 0.815 165 L CB 1.769 43.868 42.059 0.067 0.000 1.247 165 L HN 0.549 nan 8.230 nan 0.000 0.421 166 V N 0.198 120.217 119.914 0.174 0.000 2.656 166 V HA 0.600 4.721 4.120 0.001 0.000 0.307 166 V C -0.991 175.190 176.094 0.145 0.000 1.051 166 V CA -0.493 61.916 62.300 0.181 0.000 0.893 166 V CB 1.912 33.885 31.823 0.250 0.000 0.999 166 V HN 0.929 nan 8.190 nan 0.000 0.426 167 N N 2.695 121.468 118.700 0.123 0.000 2.430 167 N HA 0.747 5.488 4.740 0.001 0.000 0.290 167 N C -0.995 174.586 175.510 0.117 0.000 1.063 167 N CA -0.156 52.951 53.050 0.096 0.000 0.883 167 N CB 2.163 40.667 38.487 0.029 0.000 1.465 167 N HN 1.255 nan 8.380 nan 0.000 0.493 168 A N 3.502 126.413 122.820 0.152 0.000 2.374 168 A HA 0.735 5.056 4.320 0.001 0.000 0.305 168 A C -1.508 176.200 177.584 0.207 0.000 1.053 168 A CA -0.426 51.714 52.037 0.171 0.000 0.726 168 A CB 1.004 20.109 19.000 0.175 0.000 1.229 168 A HN 0.531 nan 8.150 nan 0.000 0.431 169 L N 1.596 122.967 121.223 0.247 0.000 2.409 169 L HA 0.613 4.954 4.340 0.001 0.000 0.262 169 L C -0.856 176.232 176.870 0.363 0.000 0.992 169 L CA -0.418 54.626 54.840 0.340 0.000 0.817 169 L CB 2.019 44.354 42.059 0.459 0.000 1.350 169 L HN 0.720 nan 8.230 nan 0.000 0.411 170 Y N 2.368 122.790 120.300 0.204 0.000 2.425 170 Y HA 0.753 5.304 4.550 0.001 0.000 0.344 170 Y C -1.811 174.149 175.900 0.099 0.000 0.969 170 Y CA -1.282 56.876 58.100 0.096 0.000 1.052 170 Y CB 1.798 40.280 38.460 0.037 0.000 1.215 170 Y HN 0.467 nan 8.280 nan 0.000 0.451 171 F N 6.384 125.672 119.950 -1.102 0.000 2.561 171 F HA 0.482 5.010 4.527 0.001 0.000 0.313 171 F C -1.575 173.561 175.800 -1.106 0.000 1.126 171 F CA -0.812 56.583 58.000 -1.009 0.000 0.918 171 F CB 1.550 39.846 39.000 -1.173 0.000 1.199 171 F HN 0.666 nan 8.300 nan 0.000 0.444 172 N N 4.032 121.739 118.700 -1.656 0.000 2.621 172 N HA 0.412 5.152 4.740 0.001 0.000 0.271 172 N C -0.802 173.908 175.510 -1.334 0.000 1.181 172 N CA -0.418 51.869 53.050 -1.272 0.000 0.805 172 N CB 1.074 39.178 38.487 -0.637 0.000 1.351 172 N HN 0.876 nan 8.380 nan 0.000 0.539 173 G N 1.440 109.208 108.800 -1.720 0.000 2.448 173 G HA2 0.248 4.209 3.960 0.001 0.000 0.285 173 G HA3 0.248 4.209 3.960 0.001 0.000 0.285 173 G C -0.523 173.976 174.900 -0.668 0.000 1.176 173 G CA -0.202 44.100 45.100 -1.330 0.000 0.852 173 G HN 0.556 nan 8.290 nan 0.000 0.530 174 Q N 0.345 119.996 119.800 -0.247 0.000 2.303 174 Q HA 0.215 4.556 4.340 0.001 0.000 0.257 174 Q C -0.767 175.373 176.000 0.234 0.000 0.941 174 Q CA -0.367 55.402 55.803 -0.056 0.000 0.931 174 Q CB 1.626 30.338 28.738 -0.043 0.000 1.215 174 Q HN 0.630 nan 8.270 nan 0.000 0.437 175 W N 2.138 123.651 121.300 0.354 0.000 2.148 175 W HA 0.035 4.695 4.660 0.001 0.000 0.347 175 W C 1.532 178.161 176.519 0.183 0.000 1.288 175 W CA -0.203 57.282 57.345 0.234 0.000 1.252 175 W CB 0.560 30.097 29.460 0.127 0.000 1.156 175 W HN 0.649 nan 8.180 nan 0.000 0.580 176 K N 0.089 120.724 120.400 0.392 0.000 2.057 176 K HA -0.079 4.242 4.320 0.001 0.000 0.206 176 K C 0.106 176.792 176.600 0.142 0.000 1.050 176 K CA 1.186 57.611 56.287 0.230 0.000 0.935 176 K CB -0.063 32.520 32.500 0.139 0.000 0.715 176 K HN 0.381 nan 8.250 nan 0.000 0.439 177 T N 4.178 118.788 114.554 0.093 0.000 2.864 177 T HA 0.307 4.658 4.350 0.001 0.000 0.310 177 T C -2.707 171.970 174.700 -0.038 0.000 1.040 177 T CA -1.601 60.484 62.100 -0.025 0.000 0.977 177 T CB 1.802 70.566 68.868 -0.173 0.000 0.976 177 T HN 0.132 nan 8.240 nan 0.000 0.459 178 P HA 0.257 nan 4.420 nan 0.000 0.272 178 P C -0.686 176.585 177.300 -0.048 0.000 1.230 178 P CA -0.571 62.626 63.100 0.162 0.000 0.788 178 P CB 0.529 32.365 31.700 0.226 0.000 0.949 179 F N 1.473 121.388 119.950 -0.060 0.000 2.438 179 F HA 0.279 4.807 4.527 0.002 0.000 0.356 179 F C -1.539 174.248 175.800 -0.022 0.000 1.099 179 F CA -2.019 55.932 58.000 -0.082 0.000 1.185 179 F CB -0.440 38.480 39.000 -0.133 0.000 1.115 179 F HN 0.126 nan 8.300 nan 0.000 0.526 180 P HA 0.008 nan 4.420 nan 0.000 0.267 180 P C 0.353 177.707 177.300 0.090 0.000 1.209 180 P CA 0.112 63.261 63.100 0.081 0.000 0.763 180 P CB 0.692 32.419 31.700 0.044 0.000 0.816 181 D N 1.563 122.007 120.400 0.073 0.000 2.158 181 D HA -0.146 4.495 4.640 0.001 0.000 0.197 181 D C 1.663 177.991 176.300 0.048 0.000 0.995 181 D CA 1.844 55.877 54.000 0.056 0.000 0.846 181 D CB -0.219 40.608 40.800 0.045 0.000 0.941 181 D HN 0.410 nan 8.370 nan 0.000 0.456 182 S N -0.738 114.992 115.700 0.049 0.000 2.515 182 S HA 0.009 4.480 4.470 0.001 0.000 0.231 182 S C 1.874 176.516 174.600 0.070 0.000 0.987 182 S CA 0.362 58.593 58.200 0.053 0.000 0.936 182 S CB 0.165 63.392 63.200 0.044 0.000 0.766 182 S HN -0.059 nan 8.310 nan 0.000 0.528 183 S N 1.269 117.005 115.700 0.060 0.000 2.562 183 S HA 0.134 4.605 4.470 0.001 0.000 0.221 183 S C 0.472 175.060 174.600 -0.020 0.000 0.975 183 S CA 0.127 58.358 58.200 0.053 0.000 0.918 183 S CB -0.114 63.117 63.200 0.051 0.000 0.772 183 S HN 0.575 nan 8.310 nan 0.000 0.531 184 T N 3.824 118.372 114.554 -0.010 0.000 2.780 184 T HA 0.346 4.696 4.350 0.001 0.000 0.294 184 T C -0.164 174.532 174.700 -0.007 0.000 0.949 184 T CA -0.326 61.729 62.100 -0.075 0.000 1.074 184 T CB 0.262 69.108 68.868 -0.038 0.000 0.910 184 T HN 0.540 nan 8.240 nan 0.000 0.501 185 H N 0.984 120.056 119.070 0.003 0.000 2.932 185 H HA 0.435 4.991 4.556 0.001 0.000 0.307 185 H C -1.045 174.286 175.328 0.005 0.000 1.391 185 H CA -1.284 54.767 56.048 0.005 0.000 1.130 185 H CB 1.016 30.784 29.762 0.009 0.000 1.836 185 H HN 0.347 nan 8.280 nan 0.000 0.522 186 R N 1.540 122.186 120.500 0.244 0.000 2.389 186 R HA 0.381 4.722 4.340 0.001 0.000 0.295 186 R C -0.071 176.351 176.300 0.203 0.000 1.075 186 R CA -0.180 56.009 56.100 0.148 0.000 1.005 186 R CB 0.870 31.225 30.300 0.091 0.000 0.987 186 R HN 0.505 nan 8.270 nan 0.000 0.452 187 R N 2.125 122.700 120.500 0.124 0.000 2.808 187 R HA 0.389 4.730 4.340 0.001 0.000 0.272 187 R C -0.498 175.848 176.300 0.076 0.000 0.995 187 R CA -1.060 55.109 56.100 0.115 0.000 0.917 187 R CB 1.620 31.983 30.300 0.104 0.000 1.217 187 R HN 0.338 nan 8.270 nan 0.000 0.471 188 L N 2.036 123.282 121.223 0.039 0.000 2.453 188 L HA 0.218 4.558 4.340 0.001 0.000 0.272 188 L C -0.395 176.431 176.870 -0.074 0.000 1.182 188 L CA 0.471 55.279 54.840 -0.052 0.000 0.858 188 L CB 0.093 42.081 42.059 -0.119 0.000 1.120 188 L HN 0.456 nan 8.230 nan 0.000 0.474 189 F N 2.852 122.635 119.950 -0.278 0.000 2.518 189 F HA 0.373 4.902 4.527 0.002 0.000 0.323 189 F C -0.129 175.479 175.800 -0.320 0.000 1.129 189 F CA -0.641 57.231 58.000 -0.213 0.000 0.920 189 F CB 1.026 39.993 39.000 -0.055 0.000 1.160 189 F HN 0.361 nan 8.300 nan 0.000 0.440 190 H N 6.144 124.938 119.070 -0.460 0.000 2.640 190 H HA 0.279 4.836 4.556 0.002 0.000 0.297 190 H C -0.322 174.845 175.328 -0.268 0.000 1.073 190 H CA -0.527 55.367 56.048 -0.256 0.000 1.305 190 H CB 1.029 30.659 29.762 -0.220 0.000 1.404 190 H HN 0.508 nan 8.280 nan 0.000 0.459 191 K N 1.047 121.487 120.400 0.068 0.000 2.168 191 K HA 0.046 4.367 4.320 0.001 0.000 0.258 191 K C 1.295 177.931 176.600 0.062 0.000 1.010 191 K CA -0.128 56.235 56.287 0.127 0.000 0.929 191 K CB 1.063 33.665 32.500 0.169 0.000 0.998 191 K HN 0.563 nan 8.250 nan 0.000 0.479 192 S N 0.322 116.058 115.700 0.060 0.000 2.423 192 S HA -0.146 4.325 4.470 0.001 0.000 0.231 192 S C 1.182 175.797 174.600 0.024 0.000 1.014 192 S CA 1.511 59.728 58.200 0.028 0.000 0.965 192 S CB -0.275 62.940 63.200 0.026 0.000 0.785 192 S HN 0.742 nan 8.310 nan 0.000 0.495 193 D N 0.755 121.176 120.400 0.035 0.000 2.352 193 D HA 0.185 4.826 4.640 0.001 0.000 0.232 193 D C 1.427 177.744 176.300 0.028 0.000 1.055 193 D CA 0.699 54.716 54.000 0.028 0.000 0.891 193 D CB -0.837 39.980 40.800 0.029 0.000 0.897 193 D HN 0.643 nan 8.370 nan 0.000 0.529 194 G N -0.115 108.706 108.800 0.034 0.000 2.176 194 G HA2 -0.279 3.682 3.960 0.001 0.000 0.253 194 G HA3 -0.279 3.682 3.960 0.001 0.000 0.253 194 G C 0.366 175.301 174.900 0.057 0.000 0.979 194 G CA 0.481 45.602 45.100 0.035 0.000 0.641 194 G HN 0.879 nan 8.290 nan 0.000 0.530 195 S N -0.508 115.231 115.700 0.064 0.000 2.672 195 S HA 0.790 5.261 4.470 0.001 0.000 0.276 195 S C -0.127 174.527 174.600 0.090 0.000 1.207 195 S CA 0.504 58.746 58.200 0.070 0.000 1.002 195 S CB 2.293 65.526 63.200 0.055 0.000 0.998 195 S HN 0.621 nan 8.310 nan 0.000 0.542 196 T N 1.589 116.185 114.554 0.071 0.000 2.848 196 T HA 0.647 4.998 4.350 0.001 0.000 0.285 196 T C -0.332 174.380 174.700 0.021 0.000 0.995 196 T CA -0.591 61.520 62.100 0.018 0.000 0.970 196 T CB 1.204 70.076 68.868 0.005 0.000 0.976 196 T HN 1.080 nan 8.240 nan 0.000 0.441 197 V N 0.150 120.086 119.914 0.037 0.000 3.074 197 V HA 0.915 5.036 4.120 0.001 0.000 0.314 197 V C -0.149 175.971 176.094 0.042 0.000 1.117 197 V CA -0.971 61.358 62.300 0.048 0.000 1.014 197 V CB 2.045 33.905 31.823 0.062 0.000 1.057 197 V HN 0.762 nan 8.190 nan 0.000 0.438 198 S N 1.183 116.901 115.700 0.030 0.000 2.462 198 S HA 0.833 5.304 4.470 0.001 0.000 0.294 198 S C -0.574 174.041 174.600 0.024 0.000 1.144 198 S CA 0.007 58.226 58.200 0.032 0.000 1.088 198 S CB 0.861 64.077 63.200 0.027 0.000 1.009 198 S HN 2.126 nan 8.310 nan 0.000 0.484 199 V N 2.493 122.426 119.914 0.032 0.000 3.012 199 V HA 0.736 4.856 4.120 0.001 0.000 0.307 199 V C -3.147 172.956 176.094 0.014 0.000 1.166 199 V CA -2.753 59.547 62.300 0.001 0.000 0.974 199 V CB 1.425 33.211 31.823 -0.061 0.000 1.040 199 V HN 0.638 nan 8.190 nan 0.000 0.428 200 P HA 0.412 nan 4.420 nan 0.000 0.267 200 P C -0.688 176.588 177.300 -0.040 0.000 1.205 200 P CA 0.301 63.395 63.100 -0.010 0.000 0.765 200 P CB 0.335 32.027 31.700 -0.013 0.000 0.828 201 M N 3.276 122.825 119.600 -0.085 0.000 2.327 201 M HA 0.439 4.920 4.480 0.001 0.000 0.298 201 M C -0.066 176.110 176.300 -0.207 0.000 1.065 201 M CA -0.635 54.590 55.300 -0.126 0.000 0.916 201 M CB 2.099 34.646 32.600 -0.089 0.000 1.630 201 M HN 0.184 nan 8.290 nan 0.000 0.442 202 M N 1.884 121.329 119.600 -0.258 0.000 2.283 202 M HA 0.804 5.285 4.480 0.001 0.000 0.314 202 M C -0.155 176.072 176.300 -0.123 0.000 1.153 202 M CA -0.530 54.605 55.300 -0.275 0.000 1.084 202 M CB 1.247 33.443 32.600 -0.674 0.000 1.468 202 M HN 0.762 nan 8.290 nan 0.000 0.474 203 A N 1.955 124.846 122.820 0.119 0.000 2.465 203 A HA 0.626 4.946 4.320 0.001 0.000 0.292 203 A C -1.364 176.348 177.584 0.213 0.000 1.041 203 A CA -0.703 51.426 52.037 0.153 0.000 0.718 203 A CB 1.492 20.493 19.000 0.003 0.000 1.266 203 A HN 0.828 nan 8.150 nan 0.000 0.403 204 Q N 0.315 120.187 119.800 0.120 0.000 2.418 204 Q HA 0.746 5.087 4.340 0.001 0.000 0.282 204 Q C -1.200 174.811 176.000 0.020 0.000 1.044 204 Q CA -0.778 55.003 55.803 -0.037 0.000 0.813 204 Q CB 1.770 30.313 28.738 -0.324 0.000 1.428 204 Q HN 0.389 nan 8.270 nan 0.000 0.402 205 T N 2.665 117.203 114.554 -0.026 0.000 2.744 205 T HA 0.568 4.919 4.350 0.001 0.000 0.291 205 T C -0.751 173.860 174.700 -0.148 0.000 0.957 205 T CA -0.383 61.702 62.100 -0.025 0.000 1.002 205 T CB 0.406 69.251 68.868 -0.038 0.000 0.919 205 T HN 0.581 nan 8.240 nan 0.000 0.468 206 N N 1.602 120.149 118.700 -0.256 0.000 3.046 206 N HA 0.219 4.960 4.740 0.001 0.000 0.243 206 N C -1.654 173.409 175.510 -0.745 0.000 1.452 206 N CA -0.831 51.819 53.050 -0.667 0.000 0.882 206 N CB 1.544 39.281 38.487 -1.249 0.000 1.425 206 N HN 0.336 nan 8.380 nan 0.000 0.517 207 K N 1.803 121.805 120.400 -0.664 0.000 2.244 207 K HA 0.336 4.657 4.320 0.001 0.000 0.263 207 K C -0.795 175.533 176.600 -0.453 0.000 1.103 207 K CA -0.172 55.870 56.287 -0.408 0.000 0.966 207 K CB -0.007 32.359 32.500 -0.224 0.000 1.429 207 K HN 0.258 nan 8.250 nan 0.000 0.434 208 F N 0.559 120.461 119.950 -0.080 0.000 2.399 208 F HA 0.259 4.787 4.527 0.001 0.000 0.328 208 F C 0.991 176.794 175.800 0.005 0.000 1.084 208 F CA -1.338 56.625 58.000 -0.062 0.000 1.053 208 F CB 0.448 39.391 39.000 -0.095 0.000 1.209 208 F HN 0.261 nan 8.300 nan 0.000 0.502 209 N N 1.362 120.200 118.700 0.230 0.000 2.468 209 N HA -0.014 4.727 4.740 0.001 0.000 0.265 209 N C -1.398 174.277 175.510 0.276 0.000 1.199 209 N CA 0.201 53.373 53.050 0.204 0.000 0.928 209 N CB 0.285 38.883 38.487 0.186 0.000 1.059 209 N HN 0.583 nan 8.380 nan 0.000 0.467 210 Y N 1.494 121.828 120.300 0.057 0.000 2.344 210 Y HA 0.234 4.785 4.550 0.001 0.000 0.328 210 Y C -0.920 174.955 175.900 -0.042 0.000 1.067 210 Y CA -0.627 57.481 58.100 0.014 0.000 1.247 210 Y CB 0.764 39.231 38.460 0.013 0.000 1.113 210 Y HN 0.295 nan 8.280 nan 0.000 0.465 211 T N 4.509 118.880 114.554 -0.305 0.000 2.829 211 T HA 0.355 4.706 4.350 0.001 0.000 0.280 211 T C -0.846 173.471 174.700 -0.638 0.000 0.999 211 T CA -0.817 61.021 62.100 -0.436 0.000 0.983 211 T CB 1.916 70.602 68.868 -0.303 0.000 0.968 211 T HN 0.592 nan 8.240 nan 0.000 0.446 212 E N 1.627 121.406 120.200 -0.702 0.000 2.191 212 E HA 0.592 4.943 4.350 0.001 0.000 0.278 212 E C -1.319 174.804 176.600 -0.796 0.000 0.972 212 E CA -0.529 55.522 56.400 -0.582 0.000 0.804 212 E CB 0.697 30.162 29.700 -0.392 0.000 1.110 212 E HN 0.471 nan 8.360 nan 0.000 0.394 213 F N 0.569 120.256 119.950 -0.439 0.000 2.664 213 F HA 0.467 4.995 4.527 0.001 0.000 0.329 213 F C 0.170 175.681 175.800 -0.481 0.000 1.090 213 F CA -0.781 56.921 58.000 -0.497 0.000 0.978 213 F CB 2.138 40.681 39.000 -0.762 0.000 1.378 213 F HN 0.352 nan 8.300 nan 0.000 0.495 214 T N -2.266 112.247 114.554 -0.068 0.000 2.885 214 T HA 0.593 4.944 4.350 0.001 0.000 0.285 214 T C -0.269 174.569 174.700 0.230 0.000 1.019 214 T CA -0.789 61.274 62.100 -0.061 0.000 1.010 214 T CB 1.396 70.084 68.868 -0.300 0.000 1.022 214 T HN 0.741 nan 8.240 nan 0.000 0.466 215 T N 0.075 114.802 114.554 0.289 0.000 2.828 215 T HA 0.363 4.714 4.350 0.001 0.000 0.290 215 T C -1.642 173.095 174.700 0.063 0.000 1.019 215 T CA -1.457 60.773 62.100 0.217 0.000 1.031 215 T CB 0.086 69.067 68.868 0.188 0.000 1.001 215 T HN 0.336 nan 8.240 nan 0.000 0.531 216 P HA -0.086 nan 4.420 nan 0.000 0.216 216 P C 0.867 178.136 177.300 -0.052 0.000 1.153 216 P CA 1.075 64.174 63.100 -0.002 0.000 0.858 216 P CB -0.061 31.642 31.700 0.006 0.000 0.789 217 D N -1.495 118.854 120.400 -0.085 0.000 2.371 217 D HA 0.056 4.697 4.640 0.001 0.000 0.234 217 D C 1.276 177.381 176.300 -0.326 0.000 1.049 217 D CA 1.035 54.921 54.000 -0.190 0.000 0.907 217 D CB -0.536 40.138 40.800 -0.210 0.000 0.891 217 D HN 0.210 nan 8.370 nan 0.000 0.531 218 G N 1.436 110.103 108.800 -0.222 0.000 2.176 218 G HA2 -0.272 3.688 3.960 0.001 0.000 0.252 218 G HA3 -0.272 3.688 3.960 0.001 0.000 0.252 218 G C -0.241 174.513 174.900 -0.242 0.000 1.024 218 G CA -0.174 44.785 45.100 -0.234 0.000 0.755 218 G HN 0.518 nan 8.290 nan 0.000 0.507 219 H N -1.116 117.944 119.070 -0.017 0.000 2.580 219 H HA 0.474 5.031 4.556 0.002 0.000 0.322 219 H C 0.056 175.429 175.328 0.074 0.000 1.082 219 H CA -0.632 55.455 56.048 0.066 0.000 1.383 219 H CB 0.617 30.454 29.762 0.126 0.000 1.450 219 H HN 0.313 nan 8.280 nan 0.000 0.505 220 Y N 3.007 123.487 120.300 0.300 0.000 2.359 220 Y HA 0.086 4.636 4.550 0.001 0.000 0.330 220 Y C -0.250 175.837 175.900 0.312 0.000 1.143 220 Y CA -0.096 58.124 58.100 0.200 0.000 1.318 220 Y CB 0.294 38.809 38.460 0.093 0.000 1.234 220 Y HN 0.566 nan 8.280 nan 0.000 0.522 221 Y N -0.680 119.804 120.300 0.306 0.000 2.553 221 Y HA 0.705 5.256 4.550 0.001 0.000 0.347 221 Y C -1.715 174.305 175.900 0.199 0.000 1.019 221 Y CA -1.851 56.404 58.100 0.259 0.000 1.032 221 Y CB 1.319 39.918 38.460 0.231 0.000 1.284 221 Y HN 0.450 nan 8.280 nan 0.000 0.466 222 D N 2.874 123.439 120.400 0.275 0.000 2.256 222 D HA 0.526 5.166 4.640 0.001 0.000 0.246 222 D C -0.994 175.385 176.300 0.132 0.000 1.042 222 D CA -0.353 53.662 54.000 0.026 0.000 0.841 222 D CB 1.846 42.590 40.800 -0.093 0.000 1.223 222 D HN 0.461 nan 8.370 nan 0.000 0.470 223 I N 2.797 123.363 120.570 -0.007 0.000 2.382 223 I HA 0.313 4.484 4.170 0.001 0.000 0.286 223 I C -0.807 175.374 176.117 0.107 0.000 1.002 223 I CA -0.684 60.603 61.300 -0.022 0.000 1.135 223 I CB 1.090 38.870 38.000 -0.367 0.000 1.288 223 I HN 0.298 nan 8.210 nan 0.000 0.448 224 L N 6.702 128.047 121.223 0.204 0.000 2.307 224 L HA 0.486 4.827 4.340 0.001 0.000 0.284 224 L C 0.014 176.935 176.870 0.085 0.000 1.023 224 L CA -0.032 54.930 54.840 0.203 0.000 0.810 224 L CB 1.469 43.578 42.059 0.084 0.000 1.231 224 L HN 0.638 nan 8.230 nan 0.000 0.423 225 E N 4.945 125.164 120.200 0.032 0.000 2.175 225 E HA 0.463 4.813 4.350 0.001 0.000 0.278 225 E C -1.636 174.895 176.600 -0.115 0.000 0.969 225 E CA -0.604 55.649 56.400 -0.246 0.000 0.796 225 E CB 1.097 30.660 29.700 -0.229 0.000 1.104 225 E HN 0.696 nan 8.360 nan 0.000 0.395 226 L N 7.385 128.502 121.223 -0.177 0.000 2.353 226 L HA 0.411 4.752 4.340 0.001 0.000 0.270 226 L C -2.294 174.544 176.870 -0.053 0.000 1.003 226 L CA -2.081 52.729 54.840 -0.050 0.000 0.862 226 L CB 1.676 43.673 42.059 -0.104 0.000 1.221 226 L HN 0.462 nan 8.230 nan 0.000 0.430 227 P HA 0.167 nan 4.420 nan 0.000 0.279 227 P C -1.065 176.284 177.300 0.081 0.000 1.239 227 P CA -0.129 62.980 63.100 0.014 0.000 0.789 227 P CB 0.613 32.330 31.700 0.028 0.000 0.933 228 Y N 0.399 120.836 120.300 0.229 0.000 2.340 228 Y HA 0.200 4.750 4.550 0.001 0.000 0.327 228 Y C 1.643 177.615 175.900 0.119 0.000 1.321 228 Y CA 0.005 58.223 58.100 0.197 0.000 1.433 228 Y CB -0.338 38.194 38.460 0.119 0.000 1.373 228 Y HN 0.496 nan 8.280 nan 0.000 0.538 229 H N -0.945 118.314 119.070 0.315 0.000 3.034 229 H HA 0.315 4.872 4.556 0.001 0.000 0.324 229 H C 1.072 176.496 175.328 0.160 0.000 1.015 229 H CA 0.028 56.195 56.048 0.198 0.000 1.429 229 H CB -0.014 29.849 29.762 0.169 0.000 1.429 229 H HN 0.845 nan 8.280 nan 0.000 0.585 230 G N 2.815 111.664 108.800 0.082 0.000 2.166 230 G HA2 -0.397 3.563 3.960 0.001 0.000 0.260 230 G HA3 -0.397 3.563 3.960 0.001 0.000 0.260 230 G C 0.397 175.257 174.900 -0.066 0.000 0.986 230 G CA 0.359 45.466 45.100 0.011 0.000 0.683 230 G HN 0.980 nan 8.290 nan 0.000 0.527 231 D N -2.217 118.156 120.400 -0.044 0.000 3.059 231 D HA -0.199 4.441 4.640 0.001 0.000 0.213 231 D C 1.496 177.719 176.300 -0.128 0.000 1.144 231 D CA 1.871 55.842 54.000 -0.048 0.000 0.975 231 D CB -1.637 39.144 40.800 -0.032 0.000 1.125 231 D HN 0.598 nan 8.370 nan 0.000 0.412 232 T N -0.138 114.265 114.554 -0.252 0.000 2.737 232 T HA -0.009 4.342 4.350 0.001 0.000 0.265 232 T C 1.319 175.831 174.700 -0.313 0.000 1.038 232 T CA 0.782 62.603 62.100 -0.465 0.000 1.144 232 T CB 0.319 68.624 68.868 -0.938 0.000 0.866 232 T HN 0.224 nan 8.240 nan 0.000 0.434 233 L N 0.274 121.450 121.223 -0.079 0.000 2.333 233 L HA 0.603 4.944 4.340 0.001 0.000 0.269 233 L C -0.416 176.651 176.870 0.329 0.000 1.010 233 L CA -0.714 54.225 54.840 0.164 0.000 0.818 233 L CB 2.123 44.339 42.059 0.263 0.000 1.306 233 L HN -0.064 nan 8.230 nan 0.000 0.430 234 S N 1.618 117.525 115.700 0.344 0.000 2.541 234 S HA 0.554 5.025 4.470 0.001 0.000 0.280 234 S C -0.823 173.952 174.600 0.292 0.000 1.112 234 S CA -0.588 57.723 58.200 0.185 0.000 0.925 234 S CB 2.121 65.268 63.200 -0.089 0.000 1.067 234 S HN 0.541 nan 8.310 nan 0.000 0.479 235 M N 3.475 123.186 119.600 0.186 0.000 2.157 235 M HA 0.514 4.995 4.480 0.001 0.000 0.354 235 M C -1.812 174.536 176.300 0.081 0.000 1.170 235 M CA -0.354 55.157 55.300 0.351 0.000 1.060 235 M CB 0.243 33.157 32.600 0.525 0.000 1.615 235 M HN 0.558 nan 8.290 nan 0.000 0.460 236 F N 4.990 125.177 119.950 0.395 0.000 2.421 236 F HA 0.510 5.038 4.527 0.001 0.000 0.337 236 F C -0.040 175.941 175.800 0.302 0.000 1.105 236 F CA -0.674 57.494 58.000 0.279 0.000 1.049 236 F CB 1.117 40.290 39.000 0.289 0.000 1.139 236 F HN 0.313 nan 8.300 nan 0.000 0.479 237 I N 2.976 123.747 120.570 0.336 0.000 2.404 237 I HA 0.594 4.764 4.170 0.001 0.000 0.293 237 I C -0.301 175.972 176.117 0.260 0.000 0.992 237 I CA -0.707 60.780 61.300 0.311 0.000 1.149 237 I CB 1.199 39.257 38.000 0.097 0.000 1.315 237 I HN 0.612 nan 8.210 nan 0.000 0.446 238 A N 5.245 128.259 122.820 0.324 0.000 2.356 238 A HA 0.953 5.274 4.320 0.001 0.000 0.310 238 A C -0.754 177.018 177.584 0.313 0.000 1.075 238 A CA -0.456 51.750 52.037 0.282 0.000 0.746 238 A CB 1.771 20.924 19.000 0.254 0.000 1.221 238 A HN 0.920 nan 8.150 nan 0.000 0.443 239 A N 3.090 126.097 122.820 0.311 0.000 2.566 239 A HA 0.827 5.147 4.320 0.001 0.000 0.297 239 A C -3.299 174.468 177.584 0.306 0.000 1.059 239 A CA -1.368 50.837 52.037 0.280 0.000 0.691 239 A CB 1.085 20.245 19.000 0.266 0.000 1.282 239 A HN 0.497 nan 8.150 nan 0.000 0.401 240 P HA 0.082 nan 4.420 nan 0.000 0.266 240 P C 0.104 177.563 177.300 0.264 0.000 1.195 240 P CA 0.304 63.564 63.100 0.267 0.000 0.768 240 P CB 0.284 32.066 31.700 0.137 0.000 0.838 241 Y N 2.059 122.468 120.300 0.181 0.000 2.242 241 Y HA -0.101 4.450 4.550 0.002 0.000 0.291 241 Y C 0.911 176.856 175.900 0.076 0.000 1.137 241 Y CA 1.408 59.582 58.100 0.123 0.000 1.181 241 Y CB 0.161 38.683 38.460 0.104 0.000 0.989 241 Y HN 0.299 nan 8.280 nan 0.000 0.527 242 E N 0.960 121.226 120.200 0.110 0.000 2.283 242 E HA 0.054 4.405 4.350 0.001 0.000 0.278 242 E C 0.826 177.395 176.600 -0.051 0.000 1.027 242 E CA -0.157 56.242 56.400 -0.003 0.000 0.843 242 E CB 1.254 30.990 29.700 0.059 0.000 1.062 242 E HN 0.311 nan 8.360 nan 0.000 0.401 243 K N 1.946 122.286 120.400 -0.100 0.000 2.147 243 K HA -0.171 4.150 4.320 0.001 0.000 0.205 243 K C 1.118 177.674 176.600 -0.073 0.000 1.049 243 K CA 1.252 57.478 56.287 -0.101 0.000 0.936 243 K CB 0.161 32.573 32.500 -0.147 0.000 0.722 243 K HN 0.378 nan 8.250 nan 0.000 0.446 244 E N 0.473 120.634 120.200 -0.065 0.000 2.409 244 E HA -0.063 4.287 4.350 0.001 0.000 0.198 244 E C 0.171 176.728 176.600 -0.072 0.000 1.024 244 E CA 0.300 56.667 56.400 -0.056 0.000 0.861 244 E CB 0.047 29.723 29.700 -0.040 0.000 0.788 244 E HN -0.062 nan 8.360 nan 0.000 0.521 245 V N 3.938 123.796 119.914 -0.093 0.000 2.408 245 V HA 0.156 4.277 4.120 0.001 0.000 0.267 245 V C -1.905 174.143 176.094 -0.076 0.000 1.047 245 V CA -1.812 60.398 62.300 -0.150 0.000 0.937 245 V CB 0.563 32.243 31.823 -0.238 0.000 0.999 245 V HN 0.080 nan 8.190 nan 0.000 0.472 246 P HA 0.078 nan 4.420 nan 0.000 0.272 246 P C 0.661 177.954 177.300 -0.011 0.000 1.223 246 P CA -0.412 62.672 63.100 -0.027 0.000 0.784 246 P CB 1.245 32.932 31.700 -0.023 0.000 0.923 247 L N 2.852 124.079 121.223 0.006 0.000 2.201 247 L HA -0.162 4.179 4.340 0.001 0.000 0.212 247 L C 2.391 179.267 176.870 0.009 0.000 1.105 247 L CA 2.176 57.030 54.840 0.023 0.000 0.775 247 L CB -1.355 40.725 42.059 0.036 0.000 0.913 247 L HN 0.455 nan 8.230 nan 0.000 0.440 248 S N -1.044 114.652 115.700 -0.006 0.000 2.419 248 S HA -0.112 4.359 4.470 0.001 0.000 0.233 248 S C 2.081 176.674 174.600 -0.010 0.000 1.016 248 S CA 0.705 58.894 58.200 -0.019 0.000 0.974 248 S CB -0.847 62.334 63.200 -0.030 0.000 0.786 248 S HN 0.429 nan 8.310 nan 0.000 0.492 249 A N 0.715 123.537 122.820 0.003 0.000 2.178 249 A HA 0.190 4.511 4.320 0.001 0.000 0.218 249 A C 2.058 179.645 177.584 0.004 0.000 1.157 249 A CA 1.235 53.292 52.037 0.033 0.000 0.689 249 A CB -0.456 18.587 19.000 0.072 0.000 0.787 249 A HN 0.521 nan 8.150 nan 0.000 0.465 250 L N -2.063 119.138 121.223 -0.036 0.000 2.445 250 L HA 0.132 4.473 4.340 0.001 0.000 0.207 250 L C 2.246 179.070 176.870 -0.077 0.000 1.053 250 L CA 2.211 56.976 54.840 -0.125 0.000 0.841 250 L CB -0.841 41.130 42.059 -0.146 0.000 1.074 250 L HN 0.234 nan 8.230 nan 0.000 0.479 251 T N 0.729 115.276 114.554 -0.011 0.000 2.720 251 T HA -0.145 4.205 4.350 0.001 0.000 0.268 251 T C 1.493 176.196 174.700 0.004 0.000 1.037 251 T CA 1.729 63.851 62.100 0.037 0.000 1.144 251 T CB -0.379 68.511 68.868 0.036 0.000 0.864 251 T HN 0.303 nan 8.240 nan 0.000 0.444 252 N N 1.327 120.012 118.700 -0.025 0.000 2.573 252 N HA 0.009 4.750 4.740 0.001 0.000 0.187 252 N C 1.557 177.050 175.510 -0.027 0.000 1.107 252 N CA 0.644 53.675 53.050 -0.032 0.000 0.918 252 N CB -0.165 38.303 38.487 -0.033 0.000 0.966 252 N HN 0.668 nan 8.380 nan 0.000 0.448 253 I N -4.033 116.517 120.570 -0.034 0.000 4.403 253 I HA 0.236 4.406 4.170 0.001 0.000 0.331 253 I C 0.200 176.287 176.117 -0.051 0.000 1.327 253 I CA -0.132 61.147 61.300 -0.036 0.000 1.175 253 I CB 0.228 38.212 38.000 -0.026 0.000 1.165 253 I HN -0.263 nan 8.210 nan 0.000 0.413 254 L N 3.552 124.744 121.223 -0.052 0.000 2.376 254 L HA 0.369 4.709 4.340 0.001 0.000 0.250 254 L C 0.842 177.655 176.870 -0.094 0.000 1.335 254 L CA -0.047 54.758 54.840 -0.059 0.000 1.214 254 L CB -1.047 41.014 42.059 0.005 0.000 1.395 254 L HN 0.523 nan 8.230 nan 0.000 0.424 255 S N 0.694 116.317 115.700 -0.128 0.000 2.645 255 S HA 0.516 4.986 4.470 0.001 0.000 0.266 255 S C 1.553 176.025 174.600 -0.213 0.000 1.258 255 S CA -0.180 57.941 58.200 -0.132 0.000 0.990 255 S CB 1.244 64.386 63.200 -0.096 0.000 0.967 255 S HN 0.497 nan 8.310 nan 0.000 0.556 256 A N 0.295 123.016 122.820 -0.165 0.000 1.940 256 A HA -0.141 4.179 4.320 0.001 0.000 0.219 256 A C 2.320 179.797 177.584 -0.178 0.000 1.176 256 A CA 1.845 53.779 52.037 -0.172 0.000 0.631 256 A CB -1.233 17.669 19.000 -0.162 0.000 0.814 256 A HN 0.942 nan 8.150 nan 0.000 0.446 257 Q N -0.522 119.200 119.800 -0.129 0.000 1.993 257 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 257 Q C 2.108 177.819 176.000 -0.482 0.000 0.984 257 Q CA 1.576 57.233 55.803 -0.244 0.000 0.837 257 Q CB -0.249 28.394 28.738 -0.157 0.000 0.902 257 Q HN 0.674 nan 8.270 nan 0.000 0.423 258 L N 0.327 121.297 121.223 -0.422 0.000 1.997 258 L HA -0.285 4.056 4.340 0.001 0.000 0.216 258 L C 2.439 178.685 176.870 -1.041 0.000 1.074 258 L CA 1.441 55.949 54.840 -0.554 0.000 0.763 258 L CB -0.412 41.385 42.059 -0.436 0.000 0.890 258 L HN 0.385 nan 8.230 nan 0.000 0.434 259 I N -0.559 119.310 120.570 -1.169 0.000 2.142 259 I HA -0.312 3.859 4.170 0.001 0.000 0.240 259 I C 2.692 178.310 176.117 -0.830 0.000 1.078 259 I CA 1.620 61.962 61.300 -1.597 0.000 1.343 259 I CB -0.388 37.026 38.000 -0.977 0.000 1.046 259 I HN 0.345 nan 8.210 nan 0.000 0.405 260 S N -0.719 114.717 115.700 -0.440 0.000 2.493 260 S HA -0.227 4.244 4.470 0.001 0.000 0.243 260 S C 1.619 176.219 174.600 -0.001 0.000 0.991 260 S CA 1.202 59.305 58.200 -0.162 0.000 0.957 260 S CB -0.859 62.291 63.200 -0.084 0.000 0.756 260 S HN 0.581 nan 8.310 nan 0.000 0.521 261 H N -1.501 117.424 119.070 -0.243 0.000 2.586 261 H HA 0.169 4.725 4.556 0.001 0.000 0.273 261 H C -0.316 175.045 175.328 0.056 0.000 0.997 261 H CA -0.710 55.280 56.048 -0.097 0.000 1.177 261 H CB 0.238 29.934 29.762 -0.110 0.000 1.471 261 H HN 0.400 nan 8.280 nan 0.000 0.538 262 W N 3.994 125.313 121.300 0.031 0.000 2.308 262 W HA 0.106 4.767 4.660 0.001 0.000 0.324 262 W C 0.676 177.291 176.519 0.160 0.000 1.387 262 W CA -0.322 57.045 57.345 0.037 0.000 1.250 262 W CB 0.034 29.326 29.460 -0.280 0.000 1.257 262 W HN 0.219 nan 8.180 nan 0.000 0.554 263 K N 1.561 122.216 120.400 0.425 0.000 2.439 263 K HA 0.810 5.131 4.320 0.001 0.000 0.260 263 K C 0.318 177.075 176.600 0.260 0.000 1.032 263 K CA -1.049 55.415 56.287 0.296 0.000 0.882 263 K CB 0.957 33.571 32.500 0.190 0.000 1.420 263 K HN 0.366 nan 8.250 nan 0.000 0.455 264 G N 0.711 109.621 108.800 0.183 0.000 2.614 264 G HA2 0.042 4.003 3.960 0.001 0.000 0.239 264 G HA3 0.042 4.003 3.960 0.001 0.000 0.239 264 G C -0.510 174.454 174.900 0.108 0.000 1.240 264 G CA -0.477 44.705 45.100 0.137 0.000 0.842 264 G HN 0.537 nan 8.290 nan 0.000 0.584 265 N N 0.404 119.156 118.700 0.087 0.000 2.497 265 N HA 0.093 4.833 4.740 0.001 0.000 0.271 265 N C 1.364 176.896 175.510 0.037 0.000 1.142 265 N CA -0.602 52.482 53.050 0.056 0.000 0.965 265 N CB 1.320 39.839 38.487 0.054 0.000 1.077 265 N HN 0.474 nan 8.380 nan 0.000 0.462 266 M N 1.831 121.446 119.600 0.024 0.000 2.089 266 M HA -0.169 4.312 4.480 0.001 0.000 0.257 266 M C 0.040 176.346 176.300 0.009 0.000 1.071 266 M CA 1.690 56.999 55.300 0.015 0.000 1.096 266 M CB -0.391 32.213 32.600 0.006 0.000 1.330 266 M HN 0.556 nan 8.290 nan 0.000 0.403 267 T N -0.500 114.058 114.554 0.007 0.000 2.906 267 T HA 0.604 4.954 4.350 0.001 0.000 0.302 267 T C -0.356 174.348 174.700 0.007 0.000 1.002 267 T CA -0.873 61.228 62.100 0.002 0.000 0.988 267 T CB 1.309 70.174 68.868 -0.004 0.000 0.972 267 T HN 0.227 nan 8.240 nan 0.000 0.447 268 R N 1.962 122.464 120.500 0.003 0.000 2.543 268 R HA 0.568 4.908 4.340 0.001 0.000 0.277 268 R C -0.370 175.925 176.300 -0.010 0.000 1.074 268 R CA -0.212 55.890 56.100 0.004 0.000 1.076 268 R CB 0.398 30.687 30.300 -0.018 0.000 0.993 268 R HN 0.602 nan 8.270 nan 0.000 0.459 269 L N 4.707 125.933 121.223 0.006 0.000 2.354 269 L HA 0.524 4.865 4.340 0.001 0.000 0.269 269 L C -2.100 174.761 176.870 -0.016 0.000 1.005 269 L CA -2.543 52.296 54.840 -0.002 0.000 0.819 269 L CB 2.206 44.276 42.059 0.020 0.000 1.311 269 L HN 0.463 nan 8.230 nan 0.000 0.423 270 P HA 0.233 nan 4.420 nan 0.000 0.271 270 P C -1.154 176.147 177.300 0.001 0.000 1.216 270 P CA -0.146 62.923 63.100 -0.052 0.000 0.771 270 P CB 0.842 32.509 31.700 -0.054 0.000 0.864 271 R N 1.206 121.731 120.500 0.043 0.000 2.643 271 R HA 0.451 4.792 4.340 0.001 0.000 0.269 271 R C -1.033 175.330 176.300 0.105 0.000 1.037 271 R CA -1.188 54.950 56.100 0.065 0.000 0.894 271 R CB 1.468 31.799 30.300 0.051 0.000 1.238 271 R HN 0.311 nan 8.270 nan 0.000 0.459 272 L N 3.368 124.610 121.223 0.032 0.000 2.278 272 L HA 0.391 4.732 4.340 0.001 0.000 0.287 272 L C -1.226 175.624 176.870 -0.034 0.000 1.072 272 L CA -0.250 54.605 54.840 0.025 0.000 0.819 272 L CB 0.746 42.807 42.059 0.005 0.000 1.176 272 L HN 0.511 nan 8.230 nan 0.000 0.435 273 L N 6.612 127.810 121.223 -0.042 0.000 2.295 273 L HA 0.637 4.978 4.340 0.001 0.000 0.285 273 L C -0.992 175.834 176.870 -0.073 0.000 1.035 273 L CA -0.095 54.624 54.840 -0.202 0.000 0.806 273 L CB 1.647 43.359 42.059 -0.577 0.000 1.214 273 L HN 0.410 nan 8.230 nan 0.000 0.426 274 V N 6.555 126.405 119.914 -0.107 0.000 2.378 274 V HA 0.543 4.664 4.120 0.001 0.000 0.288 274 V C -0.727 175.294 176.094 -0.123 0.000 1.016 274 V CA -0.492 61.760 62.300 -0.080 0.000 0.840 274 V CB 1.426 33.212 31.823 -0.063 0.000 0.994 274 V HN 0.691 nan 8.190 nan 0.000 0.431 275 L N 8.544 129.673 121.223 -0.158 0.000 2.436 275 L HA 0.774 5.115 4.340 0.001 0.000 0.268 275 L C -2.737 174.035 176.870 -0.163 0.000 0.974 275 L CA -1.793 52.923 54.840 -0.207 0.000 0.826 275 L CB 2.769 44.649 42.059 -0.298 0.000 1.291 275 L HN 0.339 nan 8.230 nan 0.000 0.406 276 P HA 0.134 nan 4.420 nan 0.000 0.268 276 P C -1.183 176.184 177.300 0.112 0.000 1.205 276 P CA -0.073 63.067 63.100 0.067 0.000 0.771 276 P CB 0.354 32.165 31.700 0.184 0.000 0.858 277 K N 2.852 123.261 120.400 0.015 0.000 2.355 277 K HA 0.408 4.729 4.320 0.001 0.000 0.270 277 K C -0.021 176.692 176.600 0.189 0.000 1.003 277 K CA 0.246 56.526 56.287 -0.011 0.000 0.957 277 K CB 0.052 32.514 32.500 -0.064 0.000 0.939 277 K HN 0.483 nan 8.250 nan 0.000 0.482 278 F N -2.366 117.563 119.950 -0.036 0.000 2.631 278 F HA 0.497 5.024 4.527 0.000 0.000 0.308 278 F C -0.976 174.797 175.800 -0.046 0.000 1.097 278 F CA -1.041 56.935 58.000 -0.040 0.000 0.952 278 F CB 1.708 40.692 39.000 -0.026 0.000 1.307 278 F HN 0.151 nan 8.300 nan 0.000 0.450 279 S N 3.257 119.036 115.700 0.133 0.000 2.774 279 S HA 0.701 5.171 4.470 0.001 0.000 0.297 279 S C -0.974 173.707 174.600 0.135 0.000 1.143 279 S CA -0.571 57.668 58.200 0.065 0.000 1.090 279 S CB 0.909 64.128 63.200 0.031 0.000 1.019 279 S HN 0.599 nan 8.310 nan 0.000 0.482 280 L N 2.445 123.771 121.223 0.171 0.000 2.346 280 L HA 0.663 5.003 4.340 0.001 0.000 0.274 280 L C 0.008 176.974 176.870 0.161 0.000 1.007 280 L CA -0.543 54.407 54.840 0.184 0.000 0.818 280 L CB 1.792 44.008 42.059 0.261 0.000 1.284 280 L HN 0.524 nan 8.230 nan 0.000 0.424 281 E N 1.227 121.516 120.200 0.148 0.000 2.241 281 E HA 0.462 4.813 4.350 0.001 0.000 0.263 281 E C -1.618 175.073 176.600 0.151 0.000 0.882 281 E CA -0.407 56.082 56.400 0.149 0.000 0.769 281 E CB 1.997 31.770 29.700 0.121 0.000 1.185 281 E HN 0.573 nan 8.360 nan 0.000 0.415 282 T N 3.275 117.936 114.554 0.179 0.000 2.848 282 T HA 0.258 4.608 4.350 0.001 0.000 0.285 282 T C -0.832 173.973 174.700 0.175 0.000 0.995 282 T CA -0.660 61.548 62.100 0.179 0.000 0.970 282 T CB 1.518 70.524 68.868 0.230 0.000 0.976 282 T HN 0.427 nan 8.240 nan 0.000 0.441 283 E N 2.522 122.808 120.200 0.144 0.000 2.134 283 E HA 0.500 4.851 4.350 0.001 0.000 0.278 283 E C -1.143 175.541 176.600 0.141 0.000 0.959 283 E CA -0.583 55.899 56.400 0.137 0.000 0.783 283 E CB 0.835 30.598 29.700 0.104 0.000 1.095 283 E HN 0.311 nan 8.360 nan 0.000 0.399 284 V N 4.591 124.612 119.914 0.178 0.000 2.370 284 V HA 0.090 4.211 4.120 0.001 0.000 0.283 284 V C -0.162 176.018 176.094 0.143 0.000 1.023 284 V CA -0.855 61.553 62.300 0.180 0.000 0.857 284 V CB 1.508 33.528 31.823 0.329 0.000 0.985 284 V HN 0.682 nan 8.190 nan 0.000 0.443 285 D N 4.369 124.820 120.400 0.085 0.000 2.338 285 D HA 0.173 4.813 4.640 0.001 0.000 0.255 285 D C 0.883 177.216 176.300 0.054 0.000 1.237 285 D CA 0.009 54.044 54.000 0.059 0.000 0.883 285 D CB 1.239 42.046 40.800 0.011 0.000 1.087 285 D HN 0.458 nan 8.370 nan 0.000 0.485 286 L N 3.702 124.990 121.223 0.108 0.000 2.465 286 L HA 0.005 4.346 4.340 0.001 0.000 0.224 286 L C 2.485 179.387 176.870 0.053 0.000 1.145 286 L CA 0.133 55.054 54.840 0.134 0.000 0.834 286 L CB -0.261 41.934 42.059 0.227 0.000 0.944 286 L HN 0.420 nan 8.230 nan 0.000 0.451 287 R N 1.028 121.456 120.500 -0.121 0.000 2.103 287 R HA -0.218 4.122 4.340 0.001 0.000 0.234 287 R C 2.244 178.317 176.300 -0.378 0.000 1.132 287 R CA 1.854 57.601 56.100 -0.588 0.000 0.925 287 R CB -0.051 29.747 30.300 -0.837 0.000 0.842 287 R HN 0.269 nan 8.270 nan 0.000 0.430 288 K N -0.549 119.709 120.400 -0.236 0.000 2.026 288 K HA -0.099 4.221 4.320 0.001 0.000 0.208 288 K C -0.606 175.935 176.600 -0.097 0.000 1.048 288 K CA 1.723 57.916 56.287 -0.156 0.000 0.929 288 K CB -0.980 31.444 32.500 -0.127 0.000 0.713 288 K HN 0.288 nan 8.250 nan 0.000 0.439 289 P HA -0.167 nan 4.420 nan 0.000 0.215 289 P C 1.364 178.657 177.300 -0.012 0.000 1.157 289 P CA 1.279 64.333 63.100 -0.077 0.000 0.874 289 P CB 0.004 31.643 31.700 -0.101 0.000 0.790 290 L N -0.730 120.532 121.223 0.066 0.000 2.093 290 L HA -0.161 4.179 4.340 0.001 0.000 0.208 290 L C 2.361 179.331 176.870 0.168 0.000 1.085 290 L CA 1.521 56.470 54.840 0.181 0.000 0.755 290 L CB -0.901 41.371 42.059 0.356 0.000 0.904 290 L HN 0.032 nan 8.230 nan 0.000 0.435 291 E N 0.098 120.363 120.200 0.108 0.000 2.072 291 E HA -0.182 4.169 4.350 0.001 0.000 0.191 291 E C 1.833 178.457 176.600 0.040 0.000 0.985 291 E CA 1.032 57.480 56.400 0.080 0.000 0.801 291 E CB -0.122 29.582 29.700 0.006 0.000 0.750 291 E HN 0.460 nan 8.360 nan 0.000 0.452 292 N N 0.716 119.419 118.700 0.006 0.000 2.289 292 N HA -0.116 4.624 4.740 0.001 0.000 0.184 292 N C 1.366 176.882 175.510 0.010 0.000 1.016 292 N CA 0.849 53.893 53.050 -0.009 0.000 0.872 292 N CB -0.028 38.435 38.487 -0.041 0.000 0.973 292 N HN 0.195 nan 8.380 nan 0.000 0.433 293 L N -0.702 120.543 121.223 0.037 0.000 2.629 293 L HA 0.248 4.589 4.340 0.001 0.000 0.230 293 L C 1.165 178.084 176.870 0.080 0.000 1.151 293 L CA 0.075 54.954 54.840 0.065 0.000 0.924 293 L CB -0.194 41.929 42.059 0.107 0.000 1.137 293 L HN 0.197 nan 8.230 nan 0.000 0.457 294 G N -0.007 108.832 108.800 0.065 0.000 2.176 294 G HA2 -0.293 3.668 3.960 0.001 0.000 0.232 294 G HA3 -0.293 3.668 3.960 0.001 0.000 0.232 294 G C 0.321 175.262 174.900 0.068 0.000 0.986 294 G CA -0.268 44.864 45.100 0.055 0.000 0.643 294 G HN 0.290 nan 8.290 nan 0.000 0.522 295 M N 2.854 122.521 119.600 0.111 0.000 3.347 295 M HA 0.306 4.787 4.480 0.001 0.000 0.260 295 M C 1.710 178.135 176.300 0.208 0.000 1.362 295 M CA 0.589 55.965 55.300 0.125 0.000 1.497 295 M CB 0.416 33.100 32.600 0.139 0.000 1.080 295 M HN 0.341 nan 8.290 nan 0.000 0.592 296 T N -3.737 110.909 114.554 0.152 0.000 2.983 296 T HA 0.017 4.368 4.350 0.001 0.000 0.250 296 T C 1.204 176.014 174.700 0.182 0.000 1.037 296 T CA 0.630 62.847 62.100 0.194 0.000 1.142 296 T CB -0.026 68.904 68.868 0.104 0.000 0.876 296 T HN 0.296 nan 8.240 nan 0.000 0.455 297 D N 2.466 122.913 120.400 0.079 0.000 2.133 297 D HA -0.133 4.507 4.640 0.001 0.000 0.195 297 D C 2.182 178.497 176.300 0.025 0.000 0.997 297 D CA 1.707 55.728 54.000 0.035 0.000 0.840 297 D CB -0.484 40.303 40.800 -0.021 0.000 0.947 297 D HN 0.661 nan 8.370 nan 0.000 0.452 298 M N -1.709 117.859 119.600 -0.052 0.000 2.346 298 M HA -0.090 4.390 4.480 0.001 0.000 0.263 298 M C 1.150 177.374 176.300 -0.127 0.000 1.064 298 M CA 1.453 56.691 55.300 -0.103 0.000 1.083 298 M CB -0.517 31.931 32.600 -0.254 0.000 1.399 298 M HN -0.098 nan 8.290 nan 0.000 0.435 299 F N 0.788 120.825 119.950 0.145 0.000 2.776 299 F HA 0.304 4.832 4.527 0.001 0.000 0.300 299 F C 0.783 176.604 175.800 0.035 0.000 1.116 299 F CA -0.176 57.899 58.000 0.125 0.000 1.375 299 F CB 0.186 39.227 39.000 0.069 0.000 1.109 299 F HN -0.012 nan 8.300 nan 0.000 0.585 300 R N 1.331 121.897 120.500 0.111 0.000 2.198 300 R HA 0.099 4.440 4.340 0.001 0.000 0.339 300 R C 1.230 177.367 176.300 -0.271 0.000 1.020 300 R CA -0.179 55.882 56.100 -0.064 0.000 0.864 300 R CB 0.928 31.232 30.300 0.006 0.000 1.105 300 R HN 0.257 nan 8.270 nan 0.000 0.463 301 Q N 2.196 121.570 119.800 -0.710 0.000 2.084 301 Q HA -0.277 4.064 4.340 0.001 0.000 0.215 301 Q C 0.514 176.122 176.000 -0.653 0.000 1.020 301 Q CA 2.331 57.480 55.803 -1.090 0.000 0.887 301 Q CB 0.004 27.945 28.738 -1.329 0.000 0.975 301 Q HN 0.640 nan 8.270 nan 0.000 0.413 302 F N -1.828 118.076 119.950 -0.076 0.000 2.582 302 F HA 0.084 4.612 4.527 0.002 0.000 0.290 302 F C 2.362 178.166 175.800 0.007 0.000 1.115 302 F CA 0.173 58.165 58.000 -0.014 0.000 1.445 302 F CB -0.026 38.964 39.000 -0.017 0.000 1.126 302 F HN 0.067 nan 8.300 nan 0.000 0.574 303 Q N 1.962 121.839 119.800 0.129 0.000 2.123 303 Q HA 0.161 4.502 4.340 0.001 0.000 0.199 303 Q C 1.015 177.048 176.000 0.055 0.000 0.966 303 Q CA 0.664 56.517 55.803 0.083 0.000 0.845 303 Q CB -0.380 28.394 28.738 0.060 0.000 0.907 303 Q HN 0.252 nan 8.270 nan 0.000 0.439 304 A N 1.326 124.187 122.820 0.069 0.000 2.565 304 A HA 0.056 4.377 4.320 0.001 0.000 0.237 304 A C -0.232 177.392 177.584 0.067 0.000 1.053 304 A CA 0.616 52.707 52.037 0.090 0.000 0.755 304 A CB -0.101 19.072 19.000 0.287 0.000 0.980 304 A HN 0.343 nan 8.150 nan 0.000 0.506 305 D N 2.189 122.518 120.400 -0.118 0.000 2.446 305 D HA 0.425 5.066 4.640 0.001 0.000 0.251 305 D C -1.164 174.936 176.300 -0.333 0.000 1.137 305 D CA -0.269 53.658 54.000 -0.122 0.000 0.890 305 D CB 0.107 40.835 40.800 -0.119 0.000 1.071 305 D HN 0.295 nan 8.370 nan 0.000 0.528 306 F N 1.719 121.646 119.950 -0.038 0.000 2.908 306 F HA 0.095 4.623 4.527 0.002 0.000 0.328 306 F C 2.143 177.900 175.800 -0.071 0.000 1.211 306 F CA -0.283 57.678 58.000 -0.066 0.000 1.291 306 F CB 0.687 39.629 39.000 -0.096 0.000 0.962 306 F HN 0.254 nan 8.300 nan 0.000 0.505 307 T N -4.493 110.088 114.554 0.045 0.000 3.051 307 T HA -0.118 4.233 4.350 0.001 0.000 0.269 307 T C 2.008 176.725 174.700 0.028 0.000 1.127 307 T CA 1.320 63.440 62.100 0.033 0.000 1.107 307 T CB -0.132 68.751 68.868 0.024 0.000 0.898 307 T HN 0.155 nan 8.240 nan 0.000 0.517 308 S N 0.596 116.318 115.700 0.037 0.000 2.461 308 S HA 0.207 4.677 4.470 0.001 0.000 0.228 308 S C 1.580 176.165 174.600 -0.025 0.000 1.005 308 S CA 0.254 58.511 58.200 0.095 0.000 0.942 308 S CB -0.201 63.106 63.200 0.180 0.000 0.776 308 S HN 0.401 nan 8.310 nan 0.000 0.514 309 L N 0.511 121.595 121.223 -0.231 0.000 2.130 309 L HA 0.346 4.687 4.340 0.001 0.000 0.200 309 L C 0.564 177.220 176.870 -0.357 0.000 1.075 309 L CA 1.102 55.538 54.840 -0.673 0.000 0.768 309 L CB 0.017 41.749 42.059 -0.545 0.000 0.933 309 L HN 0.149 nan 8.230 nan 0.000 0.451 310 S N -0.727 114.881 115.700 -0.154 0.000 2.668 310 S HA 0.351 4.821 4.470 0.001 0.000 0.277 310 S C -0.671 173.918 174.600 -0.018 0.000 1.170 310 S CA -0.363 57.788 58.200 -0.082 0.000 0.994 310 S CB 0.828 63.976 63.200 -0.087 0.000 1.051 310 S HN 0.466 nan 8.310 nan 0.000 0.484 311 D N 3.230 123.628 120.400 -0.002 0.000 2.388 311 D HA 0.118 4.759 4.640 0.001 0.000 0.221 311 D C 0.960 177.270 176.300 0.016 0.000 1.133 311 D CA -0.045 53.964 54.000 0.016 0.000 0.831 311 D CB 0.288 41.101 40.800 0.023 0.000 0.962 311 D HN 0.502 nan 8.370 nan 0.000 0.502 312 Q N 0.242 120.048 119.800 0.009 0.000 2.178 312 Q HA 0.095 4.435 4.340 0.001 0.000 0.195 312 Q C 0.063 176.074 176.000 0.018 0.000 0.960 312 Q CA 0.806 56.615 55.803 0.010 0.000 0.843 312 Q CB 0.604 29.343 28.738 0.002 0.000 0.927 312 Q HN 0.320 nan 8.270 nan 0.000 0.487 313 E N 0.496 120.707 120.200 0.017 0.000 2.336 313 E HA 0.400 4.751 4.350 0.001 0.000 0.267 313 E C -2.557 174.069 176.600 0.043 0.000 0.906 313 E CA -2.119 54.299 56.400 0.030 0.000 0.781 313 E CB 1.968 31.680 29.700 0.020 0.000 1.261 313 E HN 0.094 nan 8.360 nan 0.000 0.436 314 P HA 0.138 nan 4.420 nan 0.000 0.268 314 P C -0.935 176.406 177.300 0.067 0.000 1.205 314 P CA 0.254 63.414 63.100 0.100 0.000 0.771 314 P CB 0.486 32.277 31.700 0.150 0.000 0.858 315 L N 3.340 124.616 121.223 0.088 0.000 2.409 315 L HA 0.566 4.907 4.340 0.001 0.000 0.262 315 L C -0.336 176.589 176.870 0.091 0.000 0.992 315 L CA -0.696 54.135 54.840 -0.015 0.000 0.817 315 L CB 2.122 44.106 42.059 -0.125 0.000 1.350 315 L HN 0.672 nan 8.230 nan 0.000 0.411 316 H N 0.801 119.752 119.070 -0.198 0.000 3.014 316 H HA 0.387 4.944 4.556 0.001 0.000 0.337 316 H C -1.682 173.461 175.328 -0.308 0.000 1.320 316 H CA -0.774 55.188 56.048 -0.143 0.000 1.128 316 H CB 1.527 31.258 29.762 -0.053 0.000 1.862 316 H HN 0.231 nan 8.280 nan 0.000 0.536 317 V N 2.078 121.838 119.914 -0.257 0.000 2.439 317 V HA 0.211 4.331 4.120 0.001 0.000 0.271 317 V C 1.460 177.513 176.094 -0.068 0.000 1.040 317 V CA 0.604 62.729 62.300 -0.291 0.000 1.002 317 V CB 0.249 31.881 31.823 -0.319 0.000 1.000 317 V HN 0.959 nan 8.190 nan 0.000 0.477 318 A N 5.409 128.091 122.820 -0.229 0.000 1.975 318 A HA 0.322 4.643 4.320 0.001 0.000 0.215 318 A C 0.443 178.039 177.584 0.021 0.000 1.170 318 A CA 0.848 52.814 52.037 -0.118 0.000 0.656 318 A CB 0.105 18.928 19.000 -0.295 0.000 0.821 318 A HN 0.629 nan 8.150 nan 0.000 0.449 319 L N -2.238 119.001 121.223 0.027 0.000 2.549 319 L HA 0.663 5.003 4.340 0.001 0.000 0.259 319 L C -1.278 175.672 176.870 0.132 0.000 0.934 319 L CA 0.027 54.916 54.840 0.081 0.000 0.865 319 L CB 1.809 43.869 42.059 0.001 0.000 1.352 319 L HN 0.204 nan 8.230 nan 0.000 0.410 320 A N 5.761 128.706 122.820 0.208 0.000 2.375 320 A HA 0.780 5.101 4.320 0.001 0.000 0.291 320 A C -1.742 175.943 177.584 0.170 0.000 1.160 320 A CA -0.329 51.835 52.037 0.212 0.000 0.747 320 A CB 0.762 19.973 19.000 0.351 0.000 1.170 320 A HN 0.633 nan 8.150 nan 0.000 0.458 321 L N 1.789 123.096 121.223 0.141 0.000 2.365 321 L HA 0.590 4.931 4.340 0.001 0.000 0.273 321 L C -0.250 176.698 176.870 0.129 0.000 1.000 321 L CA -0.465 54.452 54.840 0.129 0.000 0.819 321 L CB 2.314 44.439 42.059 0.110 0.000 1.284 321 L HN 0.881 nan 8.230 nan 0.000 0.418 322 Q N 3.753 123.635 119.800 0.137 0.000 2.353 322 Q HA 0.442 4.783 4.340 0.001 0.000 0.268 322 Q C -1.501 174.577 176.000 0.130 0.000 1.045 322 Q CA -0.772 55.095 55.803 0.106 0.000 0.811 322 Q CB 2.592 31.349 28.738 0.031 0.000 1.305 322 Q HN 0.467 nan 8.270 nan 0.000 0.447 323 K N 2.911 123.388 120.400 0.128 0.000 2.471 323 K HA 0.554 4.874 4.320 0.001 0.000 0.252 323 K C -1.821 174.881 176.600 0.169 0.000 0.938 323 K CA -0.600 55.777 56.287 0.149 0.000 0.796 323 K CB 1.913 34.495 32.500 0.138 0.000 1.161 323 K HN 0.447 nan 8.250 nan 0.000 0.425 324 V N 3.801 123.831 119.914 0.194 0.000 2.656 324 V HA 0.435 4.555 4.120 0.001 0.000 0.307 324 V C -0.860 175.360 176.094 0.210 0.000 1.051 324 V CA -0.866 61.571 62.300 0.229 0.000 0.893 324 V CB 1.856 33.845 31.823 0.277 0.000 0.999 324 V HN 0.715 nan 8.190 nan 0.000 0.426 325 K N 4.454 124.975 120.400 0.202 0.000 2.376 325 K HA 0.727 5.048 4.320 0.001 0.000 0.257 325 K C -1.555 175.053 176.600 0.013 0.000 0.939 325 K CA -0.510 55.885 56.287 0.180 0.000 0.809 325 K CB 1.987 34.658 32.500 0.286 0.000 1.121 325 K HN 0.723 nan 8.250 nan 0.000 0.425 326 I N 2.537 123.094 120.570 -0.021 0.000 2.569 326 I HA 0.383 4.553 4.170 0.001 0.000 0.296 326 I C -1.482 174.513 176.117 -0.203 0.000 1.028 326 I CA -0.589 60.595 61.300 -0.192 0.000 1.082 326 I CB 1.931 39.873 38.000 -0.098 0.000 1.264 326 I HN 0.718 nan 8.210 nan 0.000 0.429 327 E N 5.751 125.726 120.200 -0.376 0.000 2.199 327 E HA 0.517 4.868 4.350 0.001 0.000 0.265 327 E C -1.890 174.431 176.600 -0.465 0.000 0.882 327 E CA -0.507 55.690 56.400 -0.340 0.000 0.759 327 E CB 1.912 31.465 29.700 -0.246 0.000 1.148 327 E HN 0.332 nan 8.360 nan 0.000 0.412 328 V N 6.297 125.880 119.914 -0.552 0.000 2.349 328 V HA 0.465 4.586 4.120 0.001 0.000 0.284 328 V C -0.513 175.408 176.094 -0.288 0.000 1.014 328 V CA -0.600 61.387 62.300 -0.521 0.000 0.826 328 V CB 0.620 31.763 31.823 -1.133 0.000 1.009 328 V HN 0.838 nan 8.190 nan 0.000 0.431 329 N N 2.814 121.471 118.700 -0.071 0.000 3.439 329 N HA 0.418 5.159 4.740 0.001 0.000 0.343 329 N C 0.522 176.156 175.510 0.206 0.000 1.597 329 N CA -0.804 52.239 53.050 -0.011 0.000 0.733 329 N CB 0.939 39.406 38.487 -0.035 0.000 1.973 329 N HN 0.099 nan 8.380 nan 0.000 0.646 330 E N -1.130 119.161 120.200 0.152 0.000 2.152 330 E HA -0.025 4.326 4.350 0.001 0.000 0.192 330 E C 0.661 177.561 176.600 0.501 0.000 0.983 330 E CA 1.806 58.366 56.400 0.268 0.000 0.818 330 E CB 0.030 29.824 29.700 0.157 0.000 0.758 330 E HN 0.637 nan 8.360 nan 0.000 0.467 331 S N -3.326 112.587 115.700 0.355 0.000 2.648 331 S HA 0.311 4.782 4.470 0.001 0.000 0.270 331 S C 1.635 176.283 174.600 0.080 0.000 1.082 331 S CA 0.148 58.531 58.200 0.305 0.000 1.116 331 S CB 0.720 64.020 63.200 0.167 0.000 1.040 331 S HN 0.300 nan 8.310 nan 0.000 0.572 332 G N 1.777 110.562 108.800 -0.027 0.000 2.162 332 G HA2 -0.252 3.708 3.960 0.001 0.000 0.260 332 G HA3 -0.252 3.708 3.960 0.001 0.000 0.260 332 G C 0.257 175.087 174.900 -0.117 0.000 0.976 332 G CA 0.934 45.931 45.100 -0.172 0.000 0.655 332 G HN 1.409 nan 8.290 nan 0.000 0.533 333 T N -3.847 110.677 114.554 -0.051 0.000 2.841 333 T HA 0.644 4.995 4.350 0.001 0.000 0.276 333 T C 0.959 175.642 174.700 -0.028 0.000 1.003 333 T CA 0.070 62.143 62.100 -0.044 0.000 0.995 333 T CB 1.950 70.801 68.868 -0.029 0.000 1.260 333 T HN 0.559 nan 8.240 nan 0.000 0.581 334 V N 0.583 120.481 119.914 -0.027 0.000 3.646 334 V HA 0.391 4.512 4.120 0.001 0.000 0.277 334 V C 1.552 177.640 176.094 -0.009 0.000 1.274 334 V CA 0.258 62.547 62.300 -0.019 0.000 1.164 334 V CB -1.688 30.119 31.823 -0.025 0.000 0.926 334 V HN 1.050 nan 8.190 nan 0.000 0.442 335 A N -0.162 122.657 122.820 -0.002 0.000 2.267 335 A HA 0.555 4.876 4.320 0.001 0.000 0.271 335 A C 0.718 178.312 177.584 0.017 0.000 1.131 335 A CA -0.024 52.017 52.037 0.007 0.000 0.818 335 A CB 0.375 19.382 19.000 0.011 0.000 1.118 335 A HN 0.287 nan 8.150 nan 0.000 0.501 336 S N 0.087 115.798 115.700 0.019 0.000 2.327 336 S HA 0.473 4.943 4.470 0.001 0.000 0.203 336 S C -0.074 174.543 174.600 0.029 0.000 1.326 336 S CA 0.564 58.778 58.200 0.023 0.000 1.248 336 S CB -0.436 62.774 63.200 0.015 0.000 1.199 336 S HN 1.567 nan 8.310 nan 0.000 0.422 349 P HA 0.462 nan 4.420 nan 0.000 0.282 349 P C -0.126 177.174 177.300 -0.000 0.000 1.287 349 P CA -0.537 62.562 63.100 -0.002 0.000 0.792 349 P CB 0.502 32.199 31.700 -0.005 0.000 1.163 350 E N 0.223 120.424 120.200 0.001 0.000 2.442 350 E HA -0.016 4.335 4.350 0.001 0.000 0.262 350 E C -0.478 176.111 176.600 -0.018 0.000 1.004 350 E CA 0.238 56.639 56.400 0.001 0.000 0.928 350 E CB 0.344 30.051 29.700 0.010 0.000 0.937 350 E HN 0.269 nan 8.360 nan 0.000 0.446 351 E N 3.684 123.872 120.200 -0.019 0.000 2.151 351 E HA 0.260 4.611 4.350 0.001 0.000 0.275 351 E C -0.714 175.839 176.600 -0.079 0.000 0.936 351 E CA -0.847 55.528 56.400 -0.043 0.000 0.777 351 E CB 1.231 30.920 29.700 -0.018 0.000 1.108 351 E HN 0.341 nan 8.360 nan 0.000 0.401 352 I N 4.587 125.057 120.570 -0.166 0.000 2.328 352 I HA 0.320 4.491 4.170 0.001 0.000 0.287 352 I C -0.118 175.900 176.117 -0.164 0.000 1.012 352 I CA -0.724 60.436 61.300 -0.233 0.000 1.195 352 I CB 0.433 38.100 38.000 -0.555 0.000 1.350 352 I HN 0.461 nan 8.210 nan 0.000 0.464 353 I N 6.534 127.050 120.570 -0.090 0.000 2.382 353 I HA 0.338 4.509 4.170 0.001 0.000 0.286 353 I C -0.133 175.952 176.117 -0.054 0.000 1.002 353 I CA -0.589 60.672 61.300 -0.065 0.000 1.135 353 I CB 2.059 40.042 38.000 -0.029 0.000 1.288 353 I HN 0.234 nan 8.210 nan 0.000 0.448 354 I N 6.599 127.126 120.570 -0.071 0.000 2.256 354 I HA 0.127 4.298 4.170 0.001 0.000 0.294 354 I C 0.208 176.361 176.117 0.061 0.000 1.127 354 I CA 0.062 61.329 61.300 -0.055 0.000 1.247 354 I CB -0.015 37.846 38.000 -0.231 0.000 1.460 354 I HN 0.579 nan 8.210 nan 0.000 0.511 355 D N 5.264 125.678 120.400 0.022 0.000 2.720 355 D HA 0.214 4.855 4.640 0.001 0.000 0.285 355 D C 0.188 176.183 176.300 -0.510 0.000 1.359 355 D CA -0.481 53.495 54.000 -0.041 0.000 0.818 355 D CB 0.510 41.330 40.800 0.033 0.000 1.108 355 D HN 0.458 nan 8.370 nan 0.000 0.474 356 R N -2.302 117.916 120.500 -0.470 0.000 2.781 356 R HA 0.732 5.073 4.340 0.001 0.000 0.269 356 R C -3.234 173.003 176.300 -0.105 0.000 1.025 356 R CA -1.871 53.873 56.100 -0.595 0.000 0.914 356 R CB -0.833 29.338 30.300 -0.215 0.000 1.236 356 R HN -0.305 nan 8.270 nan 0.000 0.465 357 P HA 0.119 nan 4.420 nan 0.000 0.266 357 P C -1.193 176.275 177.300 0.280 0.000 1.195 357 P CA 0.127 63.379 63.100 0.254 0.000 0.768 357 P CB 0.141 31.918 31.700 0.128 0.000 0.838 358 F N 0.325 120.381 119.950 0.177 0.000 2.626 358 F HA 0.661 5.189 4.527 0.001 0.000 0.311 358 F C -1.583 174.318 175.800 0.169 0.000 1.088 358 F CA -1.581 56.518 58.000 0.164 0.000 0.949 358 F CB 0.827 39.938 39.000 0.186 0.000 1.322 358 F HN -0.046 nan 8.300 nan 0.000 0.461 359 L N 2.698 124.116 121.223 0.325 0.000 2.343 359 L HA 0.591 4.931 4.340 0.001 0.000 0.275 359 L C -0.653 176.491 176.870 0.457 0.000 1.056 359 L CA -0.887 54.083 54.840 0.217 0.000 0.804 359 L CB 1.376 43.528 42.059 0.154 0.000 1.203 359 L HN 0.744 nan 8.230 nan 0.000 0.440 360 F N 0.821 120.974 119.950 0.339 0.000 2.546 360 F HA 0.876 5.404 4.527 0.001 0.000 0.320 360 F C -0.948 175.064 175.800 0.354 0.000 1.076 360 F CA -1.151 57.114 58.000 0.441 0.000 0.928 360 F CB 1.367 40.712 39.000 0.574 0.000 1.189 360 F HN 0.009 nan 8.300 nan 0.000 0.465 361 V N 3.172 123.432 119.914 0.578 0.000 2.577 361 V HA 0.442 4.563 4.120 0.001 0.000 0.303 361 V C -0.797 175.679 176.094 0.637 0.000 1.042 361 V CA -0.882 61.697 62.300 0.466 0.000 0.872 361 V CB 1.817 33.917 31.823 0.462 0.000 0.998 361 V HN 0.797 nan 8.190 nan 0.000 0.423 362 V N 5.413 125.643 119.914 0.527 0.000 2.364 362 V HA 0.496 4.617 4.120 0.001 0.000 0.272 362 V C 0.233 176.525 176.094 0.329 0.000 1.036 362 V CA -0.478 62.088 62.300 0.442 0.000 0.880 362 V CB 1.205 33.186 31.823 0.263 0.000 0.991 362 V HN 0.831 nan 8.190 nan 0.000 0.460 363 R N 3.151 123.894 120.500 0.405 0.000 2.393 363 R HA 0.341 4.682 4.340 0.001 0.000 0.310 363 R C -0.197 176.253 176.300 0.249 0.000 0.968 363 R CA -0.693 55.602 56.100 0.324 0.000 0.867 363 R CB 0.879 31.461 30.300 0.470 0.000 1.124 363 R HN 0.888 nan 8.270 nan 0.000 0.450 364 H N 5.423 124.526 119.070 0.056 0.000 3.004 364 H HA 0.046 4.603 4.556 0.001 0.000 0.267 364 H C -0.030 175.306 175.328 0.013 0.000 1.165 364 H CA -0.203 55.836 56.048 -0.015 0.000 1.450 364 H CB 0.789 30.505 29.762 -0.078 0.000 1.488 364 H HN 0.660 nan 8.280 nan 0.000 0.478 365 N N 5.589 124.139 118.700 -0.251 0.000 2.104 365 N HA -0.114 4.627 4.740 0.001 0.000 0.190 365 N C -1.020 174.367 175.510 -0.206 0.000 1.024 365 N CA 0.851 53.814 53.050 -0.144 0.000 0.853 365 N CB -1.053 37.393 38.487 -0.068 0.000 1.008 365 N HN 0.608 nan 8.380 nan 0.000 0.424 366 P HA -0.016 nan 4.420 nan 0.000 0.221 366 P C 1.259 178.522 177.300 -0.062 0.000 1.150 366 P CA 1.388 64.358 63.100 -0.217 0.000 0.800 366 P CB -0.050 31.499 31.700 -0.252 0.000 0.787 367 T N -6.650 107.902 114.554 -0.004 0.000 2.990 367 T HA 0.381 4.731 4.350 0.001 0.000 0.249 367 T C 1.606 176.368 174.700 0.103 0.000 1.039 367 T CA 0.567 62.744 62.100 0.129 0.000 1.036 367 T CB -0.408 68.626 68.868 0.278 0.000 0.994 367 T HN 0.172 nan 8.240 nan 0.000 0.489 368 G N 1.493 110.342 108.800 0.083 0.000 2.159 368 G HA2 -0.255 3.706 3.960 0.001 0.000 0.256 368 G HA3 -0.255 3.706 3.960 0.001 0.000 0.256 368 G C 0.198 175.147 174.900 0.081 0.000 0.977 368 G CA 0.224 45.369 45.100 0.075 0.000 0.652 368 G HN 0.719 nan 8.290 nan 0.000 0.531 369 T N 0.917 115.544 114.554 0.121 0.000 2.902 369 T HA 0.369 4.720 4.350 0.001 0.000 0.301 369 T C 0.786 175.521 174.700 0.059 0.000 1.012 369 T CA 0.165 62.315 62.100 0.083 0.000 1.151 369 T CB 1.884 70.782 68.868 0.050 0.000 0.946 369 T HN 0.443 nan 8.240 nan 0.000 0.542 370 V N 6.520 126.451 119.914 0.029 0.000 2.356 370 V HA 0.122 4.242 4.120 0.001 0.000 0.258 370 V C 1.311 177.382 176.094 -0.040 0.000 1.065 370 V CA 0.031 62.338 62.300 0.011 0.000 0.935 370 V CB 0.068 31.880 31.823 -0.018 0.000 1.061 370 V HN 0.836 nan 8.190 nan 0.000 0.484 371 L N 4.299 125.449 121.223 -0.120 0.000 2.102 371 L HA 0.237 4.578 4.340 0.001 0.000 0.202 371 L C 0.204 176.620 176.870 -0.756 0.000 1.076 371 L CA 1.475 56.052 54.840 -0.437 0.000 0.761 371 L CB 0.005 41.751 42.059 -0.521 0.000 0.921 371 L HN 0.416 nan 8.230 nan 0.000 0.444 372 F N -1.428 118.524 119.950 0.004 0.000 2.599 372 F HA 0.599 5.127 4.527 0.002 0.000 0.311 372 F C -0.248 175.551 175.800 -0.003 0.000 1.076 372 F CA -0.699 57.326 58.000 0.041 0.000 0.937 372 F CB 2.111 41.171 39.000 0.101 0.000 1.282 372 F HN -0.273 nan 8.300 nan 0.000 0.460 373 M N 1.311 120.932 119.600 0.034 0.000 2.471 373 M HA 0.769 5.250 4.480 0.001 0.000 0.284 373 M C -1.381 174.414 176.300 -0.841 0.000 1.203 373 M CA -0.041 54.938 55.300 -0.535 0.000 0.915 373 M CB 2.635 34.817 32.600 -0.696 0.000 1.734 373 M HN 0.783 nan 8.290 nan 0.000 0.485 374 G N 2.271 110.266 108.800 -1.341 0.000 2.547 374 G HA2 0.539 4.500 3.960 0.001 0.000 0.291 374 G HA3 0.539 4.500 3.960 0.001 0.000 0.291 374 G C -2.541 172.092 174.900 -0.445 0.000 1.471 374 G CA -0.808 43.813 45.100 -0.798 0.000 0.798 374 G HN 0.821 nan 8.290 nan 0.000 0.504 375 Q N -0.568 119.241 119.800 0.016 0.000 2.353 375 Q HA 0.713 5.054 4.340 0.001 0.000 0.268 375 Q C -1.345 174.590 176.000 -0.107 0.000 1.045 375 Q CA -1.078 54.714 55.803 -0.019 0.000 0.811 375 Q CB 2.969 31.739 28.738 0.053 0.000 1.305 375 Q HN 0.303 nan 8.270 nan 0.000 0.447 376 V N 4.397 124.066 119.914 -0.409 0.000 2.293 376 V HA 0.152 4.272 4.120 0.001 0.000 0.275 376 V C 0.400 176.277 176.094 -0.361 0.000 1.021 376 V CA -0.466 61.478 62.300 -0.594 0.000 0.815 376 V CB 1.009 32.020 31.823 -1.352 0.000 1.025 376 V HN 0.956 nan 8.190 nan 0.000 0.448 377 M N 1.982 121.491 119.600 -0.151 0.000 2.486 377 M HA 0.286 4.766 4.480 0.001 0.000 0.264 377 M C 0.689 177.023 176.300 0.058 0.000 1.125 377 M CA 0.816 56.123 55.300 0.012 0.000 1.144 377 M CB 0.119 32.724 32.600 0.008 0.000 1.353 377 M HN 0.691 nan 8.290 nan 0.000 0.466 378 E N 1.051 121.169 120.200 -0.137 0.000 2.404 378 E HA 0.309 4.660 4.350 0.001 0.000 0.298 378 E C -2.572 173.821 176.600 -0.345 0.000 0.908 378 E CA -1.402 54.831 56.400 -0.278 0.000 0.808 378 E CB 2.343 31.988 29.700 -0.091 0.000 1.380 378 E HN -0.035 nan 8.360 nan 0.000 0.392 379 P HA 0.000 nan 4.420 nan 0.000 0.216 379 P CA 0.000 62.931 63.100 -0.282 0.000 0.800 379 P CB 0.000 31.525 31.700 -0.291 0.000 0.726