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 1vho_1_A DATA FIRST_RESID 4 DATA SEQUENCE ETGKLLXELS NLDGPSGYET NVVSYIKSVI EPFVDEAKTT RHGSLIGYKK DATA SEQUENCE GKGIGKLAFF AHVDEIGFVV SKVEGQFARL EPVXXXXXXX XYASKVRIYT DATA SEQUENCE KNGIERGVIG XLAPHLQDSE SRKKVPTYDE IFVDLSLCER GVRVGDIAVI DATA SEQUENCE DQTAFETNGK VVGKALDNRA SCGVLVKVLE FLKRYDHPWD VYVVFSVQEE DATA SEQUENCE TGCLGALTGA YEINPDAAIV XDVTFASEPP FSDHIELGKG PVIGLGPVVD DATA SEQUENCE RNLVQKIIEI AKKHNVSLQE EAVGGRXXXX TDFVQLVRNG VRTSLISIPL DATA SEQUENCE KYXHTPVEXV DPRDVEELAR LLSLVAVELE 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.625 176.600 0.041 0.000 1.382 4 E CA 0.000 56.428 56.400 0.047 0.000 0.976 4 E CB 0.000 29.726 29.700 0.043 0.000 0.812 5 T N 0.676 115.253 114.554 0.039 0.000 2.788 5 T HA -0.125 4.226 4.350 0.001 0.000 0.268 5 T C 1.581 176.294 174.700 0.022 0.000 1.044 5 T CA 1.804 63.920 62.100 0.026 0.000 1.139 5 T CB -0.117 68.770 68.868 0.032 0.000 0.867 5 T HN 0.633 nan 8.240 nan 0.000 0.454 6 G N 1.513 110.327 108.800 0.024 0.000 2.421 6 G HA2 -0.237 3.723 3.960 0.001 0.000 0.216 6 G HA3 -0.237 3.723 3.960 0.001 0.000 0.216 6 G C 1.611 176.522 174.900 0.018 0.000 1.171 6 G CA 1.199 46.308 45.100 0.015 0.000 0.775 6 G HN 0.384 nan 8.290 nan 0.000 0.543 7 K N 0.219 120.638 120.400 0.031 0.000 2.097 7 K HA 0.012 4.333 4.320 0.001 0.000 0.206 7 K C 2.304 178.932 176.600 0.047 0.000 1.049 7 K CA 0.943 57.253 56.287 0.039 0.000 0.933 7 K CB -0.645 31.884 32.500 0.049 0.000 0.717 7 K HN 0.257 nan 8.250 nan 0.000 0.442 8 L N 0.534 121.791 121.223 0.057 0.000 2.017 8 L HA 0.020 4.361 4.340 0.001 0.000 0.208 8 L C 0.692 177.587 176.870 0.042 0.000 1.073 8 L CA 1.360 56.251 54.840 0.084 0.000 0.745 8 L CB -0.377 41.726 42.059 0.074 0.000 0.894 8 L HN 0.164 nan 8.230 nan 0.000 0.432 12 L N 1.329 122.400 121.223 -0.253 0.000 2.056 12 L HA -0.064 4.277 4.340 0.001 0.000 0.207 12 L C 2.572 179.355 176.870 -0.146 0.000 1.078 12 L CA 1.631 56.322 54.840 -0.248 0.000 0.749 12 L CB -0.254 41.745 42.059 -0.101 0.000 0.901 12 L HN 0.112 nan 8.230 nan 0.000 0.433 13 S N 0.125 115.767 115.700 -0.097 0.000 2.368 13 S HA -0.160 4.311 4.470 0.001 0.000 0.225 13 S C 1.824 176.390 174.600 -0.055 0.000 1.030 13 S CA 1.499 59.662 58.200 -0.062 0.000 0.999 13 S CB -0.189 62.977 63.200 -0.058 0.000 0.844 13 S HN 0.434 nan 8.310 nan 0.000 0.459 14 N N 1.173 119.831 118.700 -0.070 0.000 2.270 14 N HA 0.096 4.837 4.740 0.001 0.000 0.181 14 N C 0.459 175.943 175.510 -0.043 0.000 1.016 14 N CA 0.313 53.337 53.050 -0.045 0.000 0.870 14 N CB -0.627 37.837 38.487 -0.039 0.000 0.979 14 N HN 0.439 nan 8.380 nan 0.000 0.431 15 L N 1.492 122.658 121.223 -0.095 0.000 2.506 15 L HA -0.025 4.316 4.340 0.001 0.000 0.281 15 L C -0.085 176.782 176.870 -0.004 0.000 1.228 15 L CA 0.360 55.158 54.840 -0.069 0.000 0.850 15 L CB 0.234 42.203 42.059 -0.150 0.000 1.110 15 L HN -0.061 nan 8.230 nan 0.000 0.496 16 D N 2.055 122.479 120.400 0.041 0.000 2.349 16 D HA 0.437 5.078 4.640 0.001 0.000 0.232 16 D C 0.256 176.580 176.300 0.040 0.000 1.071 16 D CA -0.046 53.998 54.000 0.074 0.000 0.832 16 D CB 1.888 42.798 40.800 0.184 0.000 1.086 16 D HN 0.671 nan 8.370 nan 0.000 0.504 17 G N 2.766 111.595 108.800 0.049 0.000 4.370 17 G HA2 0.263 4.224 3.960 0.001 0.000 0.295 17 G HA3 0.263 4.224 3.960 0.001 0.000 0.295 17 G C -2.791 172.157 174.900 0.081 0.000 1.312 17 G CA -1.073 44.062 45.100 0.059 0.000 0.845 17 G HN 0.163 nan 8.290 nan 0.000 0.531 18 P HA 0.133 nan 4.420 nan 0.000 0.269 18 P C 0.542 177.930 177.300 0.147 0.000 1.215 18 P CA 0.136 63.304 63.100 0.113 0.000 0.780 18 P CB 1.037 32.813 31.700 0.126 0.000 0.898 19 S N 1.036 116.783 115.700 0.079 0.000 2.593 19 S HA 0.223 4.694 4.470 0.001 0.000 0.300 19 S C 1.649 176.227 174.600 -0.037 0.000 1.267 19 S CA 1.185 59.399 58.200 0.024 0.000 1.065 19 S CB -0.873 62.325 63.200 -0.002 0.000 0.807 19 S HN 0.946 nan 8.310 nan 0.000 0.499 20 G N 2.471 111.165 108.800 -0.177 0.000 2.241 20 G HA2 -0.272 3.689 3.960 0.001 0.000 0.244 20 G HA3 -0.272 3.689 3.960 0.001 0.000 0.244 20 G C -0.016 174.414 174.900 -0.783 0.000 0.998 20 G CA 0.121 44.912 45.100 -0.514 0.000 0.621 20 G HN 0.739 nan 8.290 nan 0.000 0.519 21 Y N 0.760 121.056 120.300 -0.007 0.000 2.577 21 Y HA 0.546 5.097 4.550 0.001 0.000 0.307 21 Y C 0.901 176.784 175.900 -0.028 0.000 0.940 21 Y CA -0.406 57.677 58.100 -0.029 0.000 1.132 21 Y CB 0.591 39.013 38.460 -0.064 0.000 1.184 21 Y HN 0.208 nan 8.280 nan 0.000 0.611 22 E N -0.889 119.344 120.200 0.054 0.000 2.445 22 E HA -0.012 4.338 4.350 0.001 0.000 0.189 22 E C 1.497 178.126 176.600 0.048 0.000 1.069 22 E CA 0.399 56.833 56.400 0.057 0.000 0.871 22 E CB 0.043 29.777 29.700 0.057 0.000 0.991 22 E HN 0.389 nan 8.360 nan 0.000 0.481 23 T N 0.302 114.881 114.554 0.043 0.000 2.684 23 T HA -0.228 4.123 4.350 0.001 0.000 0.267 23 T C 1.770 176.490 174.700 0.034 0.000 1.036 23 T CA 1.555 63.676 62.100 0.035 0.000 1.148 23 T CB -0.275 68.611 68.868 0.030 0.000 0.863 23 T HN 0.168 nan 8.240 nan 0.000 0.436 24 N N 0.716 119.433 118.700 0.028 0.000 2.166 24 N HA -0.071 4.670 4.740 0.001 0.000 0.186 24 N C 1.716 177.259 175.510 0.055 0.000 1.019 24 N CA 0.717 53.789 53.050 0.036 0.000 0.856 24 N CB -0.477 38.022 38.487 0.020 0.000 0.993 24 N HN 0.214 nan 8.380 nan 0.000 0.426 25 V N -0.408 119.531 119.914 0.040 0.000 2.358 25 V HA -0.156 3.965 4.120 0.001 0.000 0.246 25 V C 2.236 178.364 176.094 0.057 0.000 1.047 25 V CA 1.212 63.535 62.300 0.039 0.000 1.035 25 V CB -0.451 31.387 31.823 0.026 0.000 0.658 25 V HN 0.146 nan 8.190 nan 0.000 0.452 26 V N -0.338 119.599 119.914 0.038 0.000 2.407 26 V HA -0.246 3.875 4.120 0.001 0.000 0.248 26 V C 2.667 178.764 176.094 0.005 0.000 1.055 26 V CA 2.291 64.597 62.300 0.009 0.000 1.049 26 V CB -0.592 31.250 31.823 0.033 0.000 0.662 26 V HN 0.623 nan 8.190 nan 0.000 0.455 27 S N -1.152 114.569 115.700 0.035 0.000 2.382 27 S HA -0.252 4.219 4.470 0.001 0.000 0.228 27 S C 1.993 176.613 174.600 0.034 0.000 1.027 27 S CA 1.848 60.064 58.200 0.027 0.000 0.991 27 S CB -0.415 62.808 63.200 0.039 0.000 0.823 27 S HN 0.688 nan 8.310 nan 0.000 0.469 28 Y N 1.731 122.001 120.300 -0.049 0.000 2.145 28 Y HA -0.028 4.523 4.550 0.001 0.000 0.286 28 Y C 1.899 177.744 175.900 -0.091 0.000 1.145 28 Y CA 1.847 59.915 58.100 -0.053 0.000 1.148 28 Y CB -0.401 38.035 38.460 -0.040 0.000 0.981 28 Y HN 0.289 nan 8.280 nan 0.000 0.507 29 I N 0.460 121.052 120.570 0.036 0.000 2.226 29 I HA -0.313 3.857 4.170 0.001 0.000 0.245 29 I C 2.555 178.528 176.117 -0.239 0.000 1.100 29 I CA 1.751 62.938 61.300 -0.188 0.000 1.374 29 I CB -0.491 37.233 38.000 -0.460 0.000 1.057 29 I HN 0.176 nan 8.210 nan 0.000 0.413 30 K N 0.895 121.196 120.400 -0.164 0.000 2.063 30 K HA -0.198 4.122 4.320 0.001 0.000 0.208 30 K C 2.238 178.770 176.600 -0.113 0.000 1.048 30 K CA 1.950 58.175 56.287 -0.104 0.000 0.928 30 K CB -0.031 32.438 32.500 -0.051 0.000 0.713 30 K HN 0.144 nan 8.250 nan 0.000 0.442 31 S N 0.270 115.878 115.700 -0.154 0.000 2.383 31 S HA -0.101 4.370 4.470 0.001 0.000 0.227 31 S C 1.871 176.347 174.600 -0.205 0.000 1.026 31 S CA 1.236 59.333 58.200 -0.173 0.000 0.981 31 S CB -0.048 63.034 63.200 -0.196 0.000 0.818 31 S HN 0.428 nan 8.310 nan 0.000 0.472 32 V N 1.300 121.049 119.914 -0.274 0.000 2.719 32 V HA 0.084 4.205 4.120 0.001 0.000 0.252 32 V C 1.854 177.945 176.094 -0.005 0.000 1.065 32 V CA 1.145 63.334 62.300 -0.185 0.000 1.086 32 V CB -1.018 30.666 31.823 -0.231 0.000 0.700 32 V HN 0.653 nan 8.190 nan 0.000 0.467 33 I N -2.217 118.349 120.570 -0.007 0.000 3.226 33 I HA 0.104 4.275 4.170 0.001 0.000 0.277 33 I C 2.202 178.350 176.117 0.051 0.000 1.243 33 I CA 0.880 62.262 61.300 0.136 0.000 1.459 33 I CB -0.557 37.515 38.000 0.120 0.000 1.093 33 I HN 0.200 nan 8.210 nan 0.000 0.453 34 E N 2.132 122.294 120.200 -0.064 0.000 2.108 34 E HA -0.205 4.145 4.350 0.001 0.000 0.203 34 E C -0.543 175.936 176.600 -0.201 0.000 1.022 34 E CA 2.033 58.371 56.400 -0.104 0.000 0.823 34 E CB -1.085 28.544 29.700 -0.119 0.000 0.744 34 E HN 0.525 nan 8.360 nan 0.000 0.456 35 P HA -0.083 nan 4.420 nan 0.000 0.234 35 P C 0.196 177.093 177.300 -0.673 0.000 1.167 35 P CA 0.979 63.690 63.100 -0.648 0.000 0.763 35 P CB 0.040 31.118 31.700 -1.036 0.000 0.835 36 F N -1.759 118.183 119.950 -0.012 0.000 2.706 36 F HA 0.162 4.690 4.527 0.001 0.000 0.313 36 F C 0.950 176.745 175.800 -0.008 0.000 1.096 36 F CA -0.669 57.329 58.000 -0.004 0.000 1.219 36 F CB -0.097 38.901 39.000 -0.003 0.000 1.051 36 F HN -0.272 nan 8.300 nan 0.000 0.568 37 V N -3.782 116.190 119.914 0.096 0.000 2.960 37 V HA 0.511 4.632 4.120 0.001 0.000 0.315 37 V C 0.529 176.622 176.094 -0.003 0.000 1.087 37 V CA -0.778 61.547 62.300 0.042 0.000 0.982 37 V CB 2.162 34.025 31.823 0.067 0.000 1.039 37 V HN -0.077 nan 8.190 nan 0.000 0.437 38 D N 1.400 121.766 120.400 -0.057 0.000 2.162 38 D HA 0.052 4.693 4.640 0.001 0.000 0.203 38 D C 0.549 176.889 176.300 0.068 0.000 0.967 38 D CA 1.752 55.735 54.000 -0.028 0.000 0.840 38 D CB 0.564 41.295 40.800 -0.114 0.000 0.972 38 D HN 0.952 nan 8.370 nan 0.000 0.482 39 E N -0.963 119.317 120.200 0.133 0.000 2.423 39 E HA 0.656 5.007 4.350 0.001 0.000 0.280 39 E C -1.713 175.023 176.600 0.226 0.000 1.030 39 E CA -1.183 55.332 56.400 0.191 0.000 0.812 39 E CB 2.038 31.901 29.700 0.270 0.000 1.313 39 E HN -0.096 nan 8.360 nan 0.000 0.456 40 A N 1.460 124.397 122.820 0.195 0.000 2.402 40 A HA 0.611 4.931 4.320 0.001 0.000 0.291 40 A C -1.224 176.455 177.584 0.158 0.000 1.051 40 A CA -0.798 51.359 52.037 0.200 0.000 0.716 40 A CB 1.319 20.400 19.000 0.135 0.000 1.223 40 A HN 0.457 nan 8.150 nan 0.000 0.425 41 K N 0.781 121.287 120.400 0.176 0.000 2.267 41 K HA 0.726 5.047 4.320 0.001 0.000 0.246 41 K C -0.713 175.925 176.600 0.064 0.000 0.954 41 K CA -0.513 55.807 56.287 0.055 0.000 0.824 41 K CB 2.283 34.712 32.500 -0.118 0.000 1.167 41 K HN 0.631 nan 8.250 nan 0.000 0.431 42 T N 1.218 115.786 114.554 0.024 0.000 2.859 42 T HA 0.250 4.601 4.350 0.001 0.000 0.281 42 T C 0.189 174.895 174.700 0.011 0.000 1.005 42 T CA -0.781 61.340 62.100 0.036 0.000 1.025 42 T CB 1.324 70.209 68.868 0.027 0.000 0.977 42 T HN 0.741 nan 8.240 nan 0.000 0.458 43 T N -0.223 114.352 114.554 0.036 0.000 2.770 43 T HA 0.254 4.604 4.350 0.001 0.000 0.281 43 T C 1.536 176.224 174.700 -0.019 0.000 0.981 43 T CA -0.807 61.304 62.100 0.018 0.000 0.955 43 T CB 0.623 69.536 68.868 0.076 0.000 1.060 43 T HN 0.691 nan 8.240 nan 0.000 0.531 44 R N -0.290 120.161 120.500 -0.082 0.000 2.189 44 R HA -0.011 4.329 4.340 0.001 0.000 0.218 44 R C 1.510 177.673 176.300 -0.229 0.000 1.074 44 R CA 1.305 57.297 56.100 -0.180 0.000 0.991 44 R CB -0.799 29.347 30.300 -0.257 0.000 0.883 44 R HN 0.807 nan 8.270 nan 0.000 0.457 45 H N -0.290 118.777 119.070 -0.005 0.000 2.551 45 H HA 0.234 4.790 4.556 0.001 0.000 0.266 45 H C 0.902 176.228 175.328 -0.004 0.000 0.964 45 H CA 0.760 56.803 56.048 -0.009 0.000 1.180 45 H CB 1.019 30.777 29.762 -0.006 0.000 1.408 45 H HN 0.588 nan 8.280 nan 0.000 0.563 46 G N 0.023 108.880 108.800 0.095 0.000 2.154 46 G HA2 -0.256 3.704 3.960 0.001 0.000 0.186 46 G HA3 -0.256 3.704 3.960 0.001 0.000 0.186 46 G C 0.141 175.097 174.900 0.094 0.000 1.000 46 G CA 0.055 45.198 45.100 0.071 0.000 0.664 46 G HN 0.300 nan 8.290 nan 0.000 0.513 47 S N -0.507 115.264 115.700 0.118 0.000 2.603 47 S HA 0.668 5.138 4.470 0.001 0.000 0.268 47 S C -0.057 174.635 174.600 0.154 0.000 1.317 47 S CA -0.063 58.224 58.200 0.145 0.000 1.012 47 S CB 1.835 65.124 63.200 0.150 0.000 0.926 47 S HN 0.965 nan 8.310 nan 0.000 0.539 48 L N 2.660 124.013 121.223 0.218 0.000 2.356 48 L HA 0.669 5.009 4.340 0.001 0.000 0.277 48 L C -1.657 175.414 176.870 0.336 0.000 0.996 48 L CA -0.317 54.665 54.840 0.237 0.000 0.822 48 L CB 1.096 43.268 42.059 0.187 0.000 1.256 48 L HN 0.486 nan 8.230 nan 0.000 0.413 49 I N 4.806 125.554 120.570 0.296 0.000 2.382 49 I HA 0.573 4.743 4.170 0.001 0.000 0.286 49 I C 0.591 176.921 176.117 0.355 0.000 1.002 49 I CA -0.124 61.373 61.300 0.328 0.000 1.135 49 I CB 1.664 39.901 38.000 0.395 0.000 1.288 49 I HN 0.697 nan 8.210 nan 0.000 0.448 50 G N 4.855 113.836 108.800 0.302 0.000 2.372 50 G HA2 0.381 4.341 3.960 0.001 0.000 0.283 50 G HA3 0.381 4.341 3.960 0.001 0.000 0.283 50 G C -1.563 173.423 174.900 0.144 0.000 1.177 50 G CA -0.212 45.032 45.100 0.241 0.000 0.842 50 G HN 0.434 nan 8.290 nan 0.000 0.503 51 Y N 2.173 122.435 120.300 -0.064 0.000 2.331 51 Y HA 0.636 5.187 4.550 0.001 0.000 0.334 51 Y C -0.467 175.293 175.900 -0.232 0.000 0.960 51 Y CA -1.758 56.133 58.100 -0.349 0.000 1.130 51 Y CB 2.126 40.297 38.460 -0.482 0.000 1.164 51 Y HN 0.400 nan 8.280 nan 0.000 0.458 52 K N 6.243 126.194 120.400 -0.749 0.000 2.507 52 K HA 0.311 4.631 4.320 0.001 0.000 0.253 52 K C -1.135 175.056 176.600 -0.682 0.000 0.969 52 K CA -0.669 55.290 56.287 -0.546 0.000 0.908 52 K CB 0.779 33.183 32.500 -0.160 0.000 1.127 52 K HN 0.677 nan 8.250 nan 0.000 0.437 53 K N 2.637 122.559 120.400 -0.797 0.000 2.401 53 K HA 0.344 4.665 4.320 0.001 0.000 0.278 53 K C 0.042 176.488 176.600 -0.258 0.000 1.018 53 K CA 0.104 56.080 56.287 -0.518 0.000 0.981 53 K CB 0.597 32.893 32.500 -0.340 0.000 0.933 53 K HN 0.769 nan 8.250 nan 0.000 0.477 54 G N 2.652 111.355 108.800 -0.161 0.000 3.194 54 G HA2 0.164 4.125 3.960 0.001 0.000 0.160 54 G HA3 0.164 4.125 3.960 0.001 0.000 0.160 54 G C -0.280 174.522 174.900 -0.163 0.000 1.267 54 G CA -0.453 44.496 45.100 -0.250 0.000 0.962 54 G HN 0.642 nan 8.290 nan 0.000 0.612 55 K N -0.092 120.236 120.400 -0.119 0.000 2.374 55 K HA 0.304 4.624 4.320 0.001 0.000 0.196 55 K C 1.108 177.657 176.600 -0.085 0.000 1.023 55 K CA 0.510 56.737 56.287 -0.100 0.000 1.103 55 K CB 0.871 33.312 32.500 -0.098 0.000 0.848 55 K HN 0.826 nan 8.250 nan 0.000 0.528 56 G N 2.491 111.247 108.800 -0.073 0.000 2.136 56 G HA2 -0.256 3.705 3.960 0.001 0.000 0.242 56 G HA3 -0.256 3.705 3.960 0.001 0.000 0.242 56 G C 0.704 175.524 174.900 -0.134 0.000 0.989 56 G CA 0.410 45.475 45.100 -0.058 0.000 0.682 56 G HN 0.471 nan 8.290 nan 0.000 0.522 57 I N -2.009 118.403 120.570 -0.265 0.000 3.001 57 I HA 0.506 4.676 4.170 0.001 0.000 0.268 57 I C 1.061 176.872 176.117 -0.509 0.000 1.267 57 I CA 0.910 61.966 61.300 -0.407 0.000 1.472 57 I CB 0.098 37.756 38.000 -0.570 0.000 1.089 57 I HN 0.911 nan 8.210 nan 0.000 0.468 58 G N 0.782 109.351 108.800 -0.385 0.000 2.315 58 G HA2 0.318 4.279 3.960 0.001 0.000 0.294 58 G HA3 0.318 4.279 3.960 0.001 0.000 0.294 58 G C -1.845 173.204 174.900 0.248 0.000 1.300 58 G CA -1.045 43.963 45.100 -0.153 0.000 0.843 58 G HN 0.134 nan 8.290 nan 0.000 0.527 59 K N -0.205 120.453 120.400 0.431 0.000 2.376 59 K HA 0.624 4.944 4.320 0.001 0.000 0.257 59 K C -1.364 175.419 176.600 0.306 0.000 0.939 59 K CA -0.749 55.785 56.287 0.411 0.000 0.809 59 K CB 2.622 35.256 32.500 0.224 0.000 1.121 59 K HN 0.351 nan 8.250 nan 0.000 0.425 60 L N 2.362 123.679 121.223 0.157 0.000 2.322 60 L HA 0.679 5.019 4.340 0.001 0.000 0.281 60 L C -1.216 175.418 176.870 -0.393 0.000 1.014 60 L CA -0.374 54.307 54.840 -0.265 0.000 0.815 60 L CB 1.550 43.295 42.059 -0.523 0.000 1.247 60 L HN 0.794 nan 8.230 nan 0.000 0.421 61 A N 4.372 126.931 122.820 -0.434 0.000 2.355 61 A HA 0.818 5.139 4.320 0.001 0.000 0.317 61 A C -1.532 175.673 177.584 -0.633 0.000 1.094 61 A CA -0.358 51.339 52.037 -0.566 0.000 0.764 61 A CB 0.611 19.333 19.000 -0.464 0.000 1.230 61 A HN 0.483 nan 8.150 nan 0.000 0.448 62 F N 1.039 120.656 119.950 -0.556 0.000 2.495 62 F HA 0.745 5.273 4.527 0.001 0.000 0.327 62 F C -0.589 174.818 175.800 -0.655 0.000 1.103 62 F CA -1.293 56.454 58.000 -0.423 0.000 0.949 62 F CB 1.528 40.349 39.000 -0.297 0.000 1.142 62 F HN 0.430 nan 8.300 nan 0.000 0.457 63 F N 1.312 121.230 119.950 -0.052 0.000 2.563 63 F HA 0.824 5.351 4.527 0.001 0.000 0.316 63 F C -0.156 175.516 175.800 -0.212 0.000 1.076 63 F CA -0.965 56.925 58.000 -0.184 0.000 0.921 63 F CB 2.170 41.040 39.000 -0.216 0.000 1.209 63 F HN 0.575 nan 8.300 nan 0.000 0.462 64 A N 1.480 124.255 122.820 -0.075 0.000 2.574 64 A HA 0.602 4.923 4.320 0.001 0.000 0.297 64 A C -1.389 176.178 177.584 -0.029 0.000 1.062 64 A CA -0.718 51.287 52.037 -0.053 0.000 0.686 64 A CB 1.086 20.067 19.000 -0.032 0.000 1.285 64 A HN 0.792 nan 8.150 nan 0.000 0.403 65 H N 0.598 119.722 119.070 0.090 0.000 2.546 65 H HA 0.401 4.958 4.556 0.001 0.000 0.365 65 H C 1.079 176.483 175.328 0.126 0.000 1.220 65 H CA 0.810 56.915 56.048 0.096 0.000 1.386 65 H CB 1.789 31.592 29.762 0.069 0.000 1.510 65 H HN 0.784 nan 8.280 nan 0.000 0.591 66 V N -1.985 118.082 119.914 0.255 0.000 3.497 66 V HA 0.063 4.184 4.120 0.001 0.000 0.272 66 V C 0.580 176.751 176.094 0.129 0.000 1.474 66 V CA -0.056 62.359 62.300 0.192 0.000 1.025 66 V CB 0.506 32.441 31.823 0.187 0.000 0.820 66 V HN 0.661 nan 8.190 nan 0.000 0.437 67 D N 2.240 122.710 120.400 0.117 0.000 2.414 67 D HA 0.350 4.991 4.640 0.001 0.000 0.251 67 D C 0.076 176.407 176.300 0.051 0.000 1.252 67 D CA 0.187 54.230 54.000 0.072 0.000 0.999 67 D CB 0.888 41.720 40.800 0.053 0.000 1.093 67 D HN 0.788 nan 8.370 nan 0.000 0.515 68 E N -1.285 118.936 120.200 0.036 0.000 2.446 68 E HA 0.467 4.817 4.350 0.001 0.000 0.276 68 E C -0.280 176.315 176.600 -0.009 0.000 0.969 68 E CA -1.177 55.236 56.400 0.022 0.000 0.800 68 E CB 1.056 30.774 29.700 0.030 0.000 1.341 68 E HN 0.534 nan 8.360 nan 0.000 0.460 69 I N -1.162 119.386 120.570 -0.036 0.000 2.779 69 I HA 0.659 4.830 4.170 0.001 0.000 0.285 69 I C 0.272 176.282 176.117 -0.179 0.000 1.134 69 I CA 0.318 61.537 61.300 -0.135 0.000 1.398 69 I CB 0.913 38.810 38.000 -0.172 0.000 1.404 69 I HN 0.630 nan 8.210 nan 0.000 0.587 70 G N 3.920 112.525 108.800 -0.325 0.000 2.684 70 G HA2 0.730 4.691 3.960 0.001 0.000 0.290 70 G HA3 0.730 4.691 3.960 0.001 0.000 0.290 70 G C -1.694 172.882 174.900 -0.541 0.000 1.425 70 G CA -0.792 44.146 45.100 -0.270 0.000 0.822 70 G HN 0.558 nan 8.290 nan 0.000 0.482 71 F N -0.941 119.032 119.950 0.039 0.000 2.599 71 F HA 0.714 5.241 4.527 0.001 0.000 0.311 71 F C -0.043 175.775 175.800 0.030 0.000 1.076 71 F CA -1.046 56.974 58.000 0.033 0.000 0.937 71 F CB 2.533 41.539 39.000 0.011 0.000 1.282 71 F HN 0.411 nan 8.300 nan 0.000 0.460 72 V N 2.647 122.698 119.914 0.228 0.000 2.680 72 V HA 0.609 4.730 4.120 0.001 0.000 0.309 72 V C -1.058 175.112 176.094 0.127 0.000 1.052 72 V CA -0.833 61.549 62.300 0.137 0.000 0.908 72 V CB 2.126 34.014 31.823 0.108 0.000 1.001 72 V HN 0.544 nan 8.190 nan 0.000 0.431 73 V N 6.844 126.812 119.914 0.089 0.000 2.446 73 V HA 0.175 4.296 4.120 0.001 0.000 0.276 73 V C 1.312 177.449 176.094 0.072 0.000 1.030 73 V CA 1.017 63.362 62.300 0.074 0.000 1.033 73 V CB 0.856 32.711 31.823 0.054 0.000 0.993 73 V HN 1.128 nan 8.190 nan 0.000 0.477 74 S N 3.453 119.200 115.700 0.077 0.000 2.502 74 S HA 0.236 4.706 4.470 0.001 0.000 0.215 74 S C 0.454 175.088 174.600 0.058 0.000 1.009 74 S CA -0.186 58.055 58.200 0.069 0.000 0.908 74 S CB 0.270 63.515 63.200 0.076 0.000 0.801 74 S HN 0.678 nan 8.310 nan 0.000 0.505 75 K N 0.375 120.811 120.400 0.060 0.000 2.557 75 K HA 0.504 4.825 4.320 0.001 0.000 0.257 75 K C -2.267 174.367 176.600 0.056 0.000 0.933 75 K CA -0.566 55.752 56.287 0.052 0.000 0.820 75 K CB 2.318 34.849 32.500 0.052 0.000 1.330 75 K HN -0.015 nan 8.250 nan 0.000 0.432 76 V N 5.008 124.948 119.914 0.043 0.000 2.284 76 V HA 0.253 4.374 4.120 0.001 0.000 0.274 76 V C -0.852 175.259 176.094 0.029 0.000 1.023 76 V CA -0.482 61.841 62.300 0.038 0.000 0.808 76 V CB 1.010 32.847 31.823 0.023 0.000 1.035 76 V HN 0.777 nan 8.190 nan 0.000 0.445 77 E N 4.155 124.381 120.200 0.043 0.000 2.191 77 E HA 0.697 5.048 4.350 0.001 0.000 0.263 77 E C 0.543 177.154 176.600 0.018 0.000 0.881 77 E CA -0.055 56.364 56.400 0.032 0.000 0.757 77 E CB 2.075 31.799 29.700 0.040 0.000 1.147 77 E HN 0.717 nan 8.360 nan 0.000 0.414 78 G N 4.307 113.092 108.800 -0.025 0.000 2.574 78 G HA2 -0.446 3.514 3.960 0.001 0.000 0.286 78 G HA3 -0.446 3.514 3.960 0.001 0.000 0.286 78 G C 0.624 175.415 174.900 -0.182 0.000 1.212 78 G CA 0.670 45.718 45.100 -0.086 0.000 0.979 78 G HN 0.798 nan 8.290 nan 0.000 0.557 79 Q N -0.192 119.360 119.800 -0.412 0.000 2.365 79 Q HA 0.454 4.795 4.340 0.001 0.000 0.203 79 Q C -0.146 175.468 176.000 -0.643 0.000 0.929 79 Q CA 0.217 55.688 55.803 -0.554 0.000 0.948 79 Q CB 0.161 28.486 28.738 -0.688 0.000 1.043 79 Q HN 0.394 nan 8.270 nan 0.000 0.505 80 F N 1.326 121.262 119.950 -0.024 0.000 2.444 80 F HA 0.625 5.153 4.527 0.001 0.000 0.342 80 F C -0.021 175.798 175.800 0.032 0.000 1.121 80 F CA -1.338 56.668 58.000 0.009 0.000 0.997 80 F CB 1.541 40.472 39.000 -0.114 0.000 1.130 80 F HN 0.009 nan 8.300 nan 0.000 0.454 81 A N 4.283 127.248 122.820 0.242 0.000 2.290 81 A HA 0.669 4.990 4.320 0.001 0.000 0.310 81 A C -0.115 177.580 177.584 0.185 0.000 1.202 81 A CA -0.769 51.360 52.037 0.153 0.000 0.837 81 A CB 0.685 19.740 19.000 0.092 0.000 1.139 81 A HN 0.841 nan 8.150 nan 0.000 0.509 82 R N 2.835 123.417 120.500 0.137 0.000 2.349 82 R HA 0.626 4.966 4.340 0.001 0.000 0.299 82 R C -1.407 174.950 176.300 0.095 0.000 1.027 82 R CA -0.405 55.773 56.100 0.131 0.000 0.958 82 R CB 0.499 30.859 30.300 0.101 0.000 1.047 82 R HN 0.711 nan 8.270 nan 0.000 0.468 83 L N 3.446 124.714 121.223 0.074 0.000 2.329 83 L HA 0.472 4.813 4.340 0.001 0.000 0.279 83 L C -0.280 176.689 176.870 0.164 0.000 1.014 83 L CA -0.688 54.198 54.840 0.077 0.000 0.814 83 L CB 2.061 44.066 42.059 -0.089 0.000 1.257 83 L HN 0.649 nan 8.230 nan 0.000 0.424 84 E N 3.335 123.670 120.200 0.225 0.000 2.199 84 E HA 0.390 4.740 4.350 0.001 0.000 0.269 84 E C -2.460 174.310 176.600 0.283 0.000 0.899 84 E CA -2.024 54.515 56.400 0.232 0.000 0.772 84 E CB 2.226 32.012 29.700 0.142 0.000 1.155 84 E HN 0.272 nan 8.360 nan 0.000 0.408 85 P HA -0.072 nan 4.420 nan 0.000 0.267 85 P C -0.197 177.099 177.300 -0.006 0.000 1.200 85 P CA -0.118 62.984 63.100 0.004 0.000 0.772 85 P CB 0.425 32.114 31.700 -0.019 0.000 0.855 96 A N 0.959 123.591 122.820 -0.312 0.000 2.371 96 A HA 0.732 5.053 4.320 0.001 0.000 0.311 96 A C 0.003 177.394 177.584 -0.322 0.000 1.068 96 A CA 0.253 52.122 52.037 -0.281 0.000 0.744 96 A CB 1.855 20.688 19.000 -0.279 0.000 1.239 96 A HN 0.599 nan 8.150 nan 0.000 0.435 97 S N 1.780 117.379 115.700 -0.168 0.000 3.597 97 S HA 0.265 4.735 4.470 0.001 0.000 0.206 97 S C 0.412 174.920 174.600 -0.153 0.000 0.948 97 S CA 0.264 58.369 58.200 -0.158 0.000 0.863 97 S CB -0.161 62.989 63.200 -0.084 0.000 1.015 97 S HN 0.638 nan 8.310 nan 0.000 0.616 98 K N 2.084 122.426 120.400 -0.097 0.000 2.322 98 K HA 0.443 4.763 4.320 0.001 0.000 0.283 98 K C -0.648 175.904 176.600 -0.080 0.000 1.042 98 K CA -0.220 56.016 56.287 -0.085 0.000 0.958 98 K CB 1.462 33.931 32.500 -0.052 0.000 0.984 98 K HN 0.390 nan 8.250 nan 0.000 0.473 99 V N 0.320 120.179 119.914 -0.093 0.000 2.962 99 V HA 0.640 4.761 4.120 0.001 0.000 0.313 99 V C -0.928 175.123 176.094 -0.071 0.000 1.099 99 V CA -1.298 60.960 62.300 -0.070 0.000 0.971 99 V CB 1.880 33.639 31.823 -0.107 0.000 1.028 99 V HN 0.863 nan 8.190 nan 0.000 0.430 100 R N 3.047 123.512 120.500 -0.059 0.000 2.534 100 R HA 0.832 5.173 4.340 0.001 0.000 0.301 100 R C -1.478 174.735 176.300 -0.145 0.000 0.961 100 R CA -0.780 55.246 56.100 -0.124 0.000 0.871 100 R CB 2.094 32.296 30.300 -0.163 0.000 1.170 100 R HN 0.762 nan 8.270 nan 0.000 0.446 101 I N 3.095 123.560 120.570 -0.176 0.000 2.406 101 I HA 0.279 4.450 4.170 0.001 0.000 0.290 101 I C -0.720 175.280 176.117 -0.194 0.000 0.999 101 I CA -1.311 59.920 61.300 -0.115 0.000 1.124 101 I CB 1.511 39.482 38.000 -0.049 0.000 1.289 101 I HN 0.544 nan 8.210 nan 0.000 0.441 102 Y N 4.506 124.786 120.300 -0.032 0.000 2.436 102 Y HA 0.252 4.803 4.550 0.001 0.000 0.336 102 Y C 1.139 177.017 175.900 -0.036 0.000 1.049 102 Y CA -0.017 58.061 58.100 -0.038 0.000 1.294 102 Y CB 0.898 39.322 38.460 -0.061 0.000 1.179 102 Y HN 0.571 nan 8.280 nan 0.000 0.520 103 T N -0.910 113.688 114.554 0.073 0.000 2.883 103 T HA 0.284 4.635 4.350 0.001 0.000 0.284 103 T C 0.917 175.648 174.700 0.051 0.000 1.041 103 T CA -1.040 61.087 62.100 0.045 0.000 1.007 103 T CB 1.549 70.422 68.868 0.009 0.000 1.220 103 T HN 0.652 nan 8.240 nan 0.000 0.552 104 K N 0.481 120.900 120.400 0.032 0.000 2.280 104 K HA -0.070 4.250 4.320 0.001 0.000 0.202 104 K C 0.925 177.540 176.600 0.024 0.000 1.047 104 K CA 1.187 57.491 56.287 0.029 0.000 0.942 104 K CB -0.339 32.172 32.500 0.020 0.000 0.739 104 K HN 0.435 nan 8.250 nan 0.000 0.457 105 N N 0.786 119.496 118.700 0.016 0.000 2.280 105 N HA 0.102 4.843 4.740 0.001 0.000 0.192 105 N C 0.686 176.200 175.510 0.006 0.000 1.109 105 N CA 0.876 53.931 53.050 0.008 0.000 0.855 105 N CB 1.330 39.816 38.487 -0.001 0.000 0.974 105 N HN 0.499 nan 8.380 nan 0.000 0.482 106 G N 0.577 109.384 108.800 0.012 0.000 2.260 106 G HA2 0.009 3.970 3.960 0.001 0.000 0.250 106 G HA3 0.009 3.970 3.960 0.001 0.000 0.250 106 G C -1.542 173.327 174.900 -0.052 0.000 1.340 106 G CA -0.882 44.218 45.100 -0.000 0.000 1.056 106 G HN 0.016 nan 8.290 nan 0.000 0.471 107 I N 1.601 122.102 120.570 -0.116 0.000 2.359 107 I HA 0.402 4.573 4.170 0.001 0.000 0.294 107 I C -0.204 175.820 176.117 -0.155 0.000 0.987 107 I CA -0.601 60.558 61.300 -0.236 0.000 1.225 107 I CB 1.624 39.431 38.000 -0.322 0.000 1.366 107 I HN 0.302 nan 8.210 nan 0.000 0.466 108 E N 6.606 126.718 120.200 -0.146 0.000 2.191 108 E HA 0.502 4.853 4.350 0.001 0.000 0.274 108 E C -0.782 175.754 176.600 -0.107 0.000 0.948 108 E CA -0.774 55.567 56.400 -0.098 0.000 0.802 108 E CB 2.386 32.044 29.700 -0.069 0.000 1.137 108 E HN 0.462 nan 8.360 nan 0.000 0.397 109 R N 0.527 120.975 120.500 -0.086 0.000 2.514 109 R HA 0.718 5.059 4.340 0.001 0.000 0.301 109 R C 0.029 176.286 176.300 -0.070 0.000 0.962 109 R CA -0.604 55.447 56.100 -0.082 0.000 0.882 109 R CB 1.970 32.227 30.300 -0.072 0.000 1.143 109 R HN 0.637 nan 8.270 nan 0.000 0.452 110 G N 0.485 109.238 108.800 -0.079 0.000 2.663 110 G HA2 0.488 4.449 3.960 0.001 0.000 0.299 110 G HA3 0.488 4.449 3.960 0.001 0.000 0.299 110 G C -1.704 173.133 174.900 -0.104 0.000 1.372 110 G CA -0.424 44.627 45.100 -0.081 0.000 0.781 110 G HN 0.319 nan 8.290 nan 0.000 0.491 111 V N 0.927 120.770 119.914 -0.119 0.000 2.444 111 V HA 0.373 4.494 4.120 0.001 0.000 0.294 111 V C 0.244 176.198 176.094 -0.233 0.000 1.022 111 V CA -0.571 61.639 62.300 -0.151 0.000 0.850 111 V CB 1.433 33.189 31.823 -0.112 0.000 0.992 111 V HN 0.647 nan 8.190 nan 0.000 0.426 112 I N 5.151 125.543 120.570 -0.296 0.000 2.741 112 I HA 0.380 4.551 4.170 0.001 0.000 0.288 112 I C 1.238 177.068 176.117 -0.479 0.000 1.192 112 I CA 1.501 62.546 61.300 -0.426 0.000 1.426 112 I CB -0.057 37.665 38.000 -0.462 0.000 1.367 112 I HN 0.986 nan 8.210 nan 0.000 0.563 116 A N 1.900 124.814 122.820 0.157 0.000 2.445 116 A HA 0.611 4.932 4.320 0.001 0.000 0.242 116 A C -2.321 175.338 177.584 0.125 0.000 1.075 116 A CA -0.858 51.240 52.037 0.101 0.000 0.777 116 A CB -0.577 18.463 19.000 0.067 0.000 1.013 116 A HN 0.436 nan 8.150 nan 0.000 0.493 117 P HA 0.162 nan 4.420 nan 0.000 0.258 117 P C -0.662 176.731 177.300 0.156 0.000 1.172 117 P CA 1.294 64.451 63.100 0.095 0.000 0.762 117 P CB 0.031 31.763 31.700 0.054 0.000 0.764 118 H N 2.104 121.198 119.070 0.040 0.000 3.129 118 H HA 0.389 4.946 4.556 0.001 0.000 0.342 118 H C -1.602 173.746 175.328 0.034 0.000 1.092 118 H CA -0.856 55.214 56.048 0.037 0.000 1.310 118 H CB 0.672 30.466 29.762 0.055 0.000 1.932 118 H HN 0.177 nan 8.280 nan 0.000 0.507 119 L N 4.668 125.591 121.223 -0.501 0.000 2.342 119 L HA 0.290 4.630 4.340 0.001 0.000 0.285 119 L C -0.417 176.330 176.870 -0.204 0.000 1.095 119 L CA -0.031 54.654 54.840 -0.257 0.000 0.843 119 L CB 0.311 42.248 42.059 -0.204 0.000 1.201 119 L HN 0.588 nan 8.230 nan 0.000 0.445 120 Q N 3.169 122.995 119.800 0.043 0.000 2.373 120 Q HA 0.252 4.592 4.340 0.001 0.000 0.255 120 Q C -0.524 175.518 176.000 0.070 0.000 0.980 120 Q CA -0.014 55.881 55.803 0.154 0.000 0.882 120 Q CB 1.339 30.157 28.738 0.135 0.000 1.249 120 Q HN 0.808 nan 8.270 nan 0.000 0.438 121 D N -1.916 118.539 120.400 0.092 0.000 2.585 121 D HA 0.213 4.854 4.640 0.001 0.000 0.254 121 D C 0.595 176.923 176.300 0.047 0.000 1.067 121 D CA -0.405 53.627 54.000 0.053 0.000 1.090 121 D CB 0.215 41.043 40.800 0.046 0.000 1.408 121 D HN 0.311 nan 8.370 nan 0.000 0.554 122 S N -0.783 114.935 115.700 0.030 0.000 2.400 122 S HA -0.212 4.259 4.470 0.001 0.000 0.232 122 S C 1.293 175.908 174.600 0.024 0.000 1.025 122 S CA 0.854 59.068 58.200 0.022 0.000 0.993 122 S CB -0.495 62.714 63.200 0.014 0.000 0.808 122 S HN 0.484 nan 8.310 nan 0.000 0.478 123 E N 1.886 122.104 120.200 0.030 0.000 2.051 123 E HA -0.047 4.304 4.350 0.001 0.000 0.189 123 E C 2.663 179.282 176.600 0.032 0.000 0.979 123 E CA 1.316 57.732 56.400 0.027 0.000 0.803 123 E CB -0.669 29.047 29.700 0.026 0.000 0.761 123 E HN 0.777 nan 8.360 nan 0.000 0.451 124 S N 1.157 116.891 115.700 0.057 0.000 2.399 124 S HA -0.172 4.298 4.470 0.001 0.000 0.231 124 S C 2.096 176.721 174.600 0.042 0.000 1.022 124 S CA 1.189 59.423 58.200 0.056 0.000 0.983 124 S CB -0.263 63.014 63.200 0.128 0.000 0.803 124 S HN 0.074 nan 8.310 nan 0.000 0.480 125 R N 1.497 122.022 120.500 0.042 0.000 2.127 125 R HA 0.007 4.347 4.340 0.001 0.000 0.238 125 R C 2.183 178.471 176.300 -0.020 0.000 1.134 125 R CA 1.513 57.621 56.100 0.015 0.000 0.975 125 R CB -0.204 30.107 30.300 0.019 0.000 0.865 125 R HN 0.491 nan 8.270 nan 0.000 0.447 126 K N -0.802 119.591 120.400 -0.012 0.000 2.211 126 K HA -0.081 4.239 4.320 0.001 0.000 0.203 126 K C 1.799 178.374 176.600 -0.041 0.000 1.050 126 K CA 1.276 57.547 56.287 -0.026 0.000 0.945 126 K CB 0.297 32.790 32.500 -0.012 0.000 0.732 126 K HN -0.042 nan 8.250 nan 0.000 0.451 127 K N 0.324 120.710 120.400 -0.022 0.000 2.426 127 K HA 0.095 4.416 4.320 0.001 0.000 0.193 127 K C 0.519 177.055 176.600 -0.107 0.000 1.028 127 K CA 0.161 56.447 56.287 -0.001 0.000 1.047 127 K CB 0.049 32.600 32.500 0.086 0.000 0.821 127 K HN -0.052 nan 8.250 nan 0.000 0.513 128 V N 3.437 123.213 119.914 -0.231 0.000 2.521 128 V HA 0.149 4.269 4.120 0.001 0.000 0.286 128 V C -2.237 173.484 176.094 -0.621 0.000 1.034 128 V CA -2.061 59.883 62.300 -0.594 0.000 1.045 128 V CB 0.416 32.020 31.823 -0.365 0.000 0.974 128 V HN 0.211 nan 8.190 nan 0.000 0.480 129 P HA 0.033 nan 4.420 nan 0.000 0.264 129 P C 0.086 177.163 177.300 -0.373 0.000 1.179 129 P CA 0.233 62.924 63.100 -0.681 0.000 0.763 129 P CB 0.101 31.166 31.700 -1.058 0.000 0.806 130 T N 0.822 115.259 114.554 -0.195 0.000 2.930 130 T HA 0.050 4.401 4.350 0.001 0.000 0.306 130 T C 1.766 176.445 174.700 -0.034 0.000 1.045 130 T CA 0.540 62.583 62.100 -0.095 0.000 1.134 130 T CB -0.129 68.704 68.868 -0.058 0.000 0.961 130 T HN 0.442 nan 8.240 nan 0.000 0.545 131 Y N 2.478 122.773 120.300 -0.008 0.000 2.136 131 Y HA -0.335 4.216 4.550 0.001 0.000 0.271 131 Y C 2.257 178.190 175.900 0.056 0.000 1.252 131 Y CA 2.545 60.664 58.100 0.031 0.000 1.117 131 Y CB -1.523 36.946 38.460 0.015 0.000 0.932 131 Y HN 0.977 nan 8.280 nan 0.000 0.512 132 D N 0.158 120.582 120.400 0.041 0.000 2.224 132 D HA -0.069 4.572 4.640 0.001 0.000 0.205 132 D C 0.252 176.605 176.300 0.088 0.000 0.965 132 D CA 0.770 54.802 54.000 0.053 0.000 0.852 132 D CB -0.563 40.257 40.800 0.033 0.000 0.947 132 D HN 0.786 nan 8.370 nan 0.000 0.494 133 E N 0.556 120.812 120.200 0.093 0.000 2.415 133 E HA 0.152 4.503 4.350 0.001 0.000 0.262 133 E C 0.028 176.751 176.600 0.205 0.000 1.038 133 E CA -0.315 56.161 56.400 0.128 0.000 0.921 133 E CB 1.218 30.973 29.700 0.091 0.000 0.950 133 E HN 0.159 nan 8.360 nan 0.000 0.438 134 I N 4.327 124.992 120.570 0.157 0.000 2.304 134 I HA 0.270 4.441 4.170 0.001 0.000 0.291 134 I C -0.205 175.969 176.117 0.096 0.000 1.018 134 I CA -0.148 61.185 61.300 0.055 0.000 1.260 134 I CB -0.927 37.054 38.000 -0.030 0.000 1.390 134 I HN 0.447 nan 8.210 nan 0.000 0.475 135 F N 6.098 125.995 119.950 -0.088 0.000 2.664 135 F HA 0.879 5.407 4.527 0.001 0.000 0.317 135 F C -0.914 174.861 175.800 -0.041 0.000 1.108 135 F CA -1.267 56.704 58.000 -0.049 0.000 0.957 135 F CB 1.487 40.473 39.000 -0.023 0.000 1.365 135 F HN 0.140 nan 8.300 nan 0.000 0.475 136 V N -0.911 119.085 119.914 0.137 0.000 2.876 136 V HA 0.515 4.636 4.120 0.001 0.000 0.312 136 V C -1.458 174.839 176.094 0.339 0.000 1.085 136 V CA -0.614 61.715 62.300 0.047 0.000 0.945 136 V CB 1.674 33.474 31.823 -0.038 0.000 1.017 136 V HN 0.926 nan 8.190 nan 0.000 0.428 137 D N 2.996 123.575 120.400 0.299 0.000 2.365 137 D HA 0.241 4.881 4.640 0.001 0.000 0.237 137 D C 0.839 177.171 176.300 0.053 0.000 1.190 137 D CA -0.272 53.891 54.000 0.272 0.000 0.867 137 D CB 1.540 42.521 40.800 0.301 0.000 1.050 137 D HN 0.481 nan 8.370 nan 0.000 0.491 138 L N 3.452 124.662 121.223 -0.022 0.000 2.265 138 L HA -0.163 4.178 4.340 0.001 0.000 0.215 138 L C 2.498 179.328 176.870 -0.067 0.000 1.117 138 L CA 1.218 56.029 54.840 -0.049 0.000 0.782 138 L CB -1.207 40.812 42.059 -0.067 0.000 0.914 138 L HN 0.492 nan 8.230 nan 0.000 0.441 139 S N -1.857 113.785 115.700 -0.097 0.000 2.507 139 S HA -0.069 4.402 4.470 0.001 0.000 0.235 139 S C 1.752 176.328 174.600 -0.039 0.000 0.988 139 S CA 0.545 58.698 58.200 -0.078 0.000 0.944 139 S CB -0.434 62.707 63.200 -0.099 0.000 0.762 139 S HN 0.467 nan 8.310 nan 0.000 0.526 140 L N 1.023 122.232 121.223 -0.024 0.000 2.558 140 L HA 0.230 4.571 4.340 0.001 0.000 0.225 140 L C 0.558 177.415 176.870 -0.021 0.000 1.128 140 L CA -0.467 54.364 54.840 -0.014 0.000 0.868 140 L CB -0.295 41.763 42.059 -0.003 0.000 1.006 140 L HN 0.388 nan 8.230 nan 0.000 0.454 141 C N -0.325 118.959 119.300 -0.026 0.000 2.422 141 C HA 0.161 4.622 4.460 0.001 0.000 0.364 141 C C 1.940 176.914 174.990 -0.027 0.000 1.251 141 C CA -0.969 58.032 59.018 -0.028 0.000 2.441 141 C CB 1.344 29.067 27.740 -0.029 0.000 2.393 141 C HN 0.350 nan 8.230 nan 0.000 0.606 142 E N 0.787 120.970 120.200 -0.027 0.000 2.028 142 E HA -0.049 4.302 4.350 0.001 0.000 0.191 142 E C 0.918 177.505 176.600 -0.022 0.000 0.988 142 E CA 1.272 57.658 56.400 -0.024 0.000 0.799 142 E CB 0.034 29.719 29.700 -0.025 0.000 0.755 142 E HN 0.651 nan 8.360 nan 0.000 0.447 143 R N -0.934 119.553 120.500 -0.022 0.000 3.121 143 R HA 0.540 4.881 4.340 0.001 0.000 0.242 143 R C 0.670 176.959 176.300 -0.019 0.000 1.402 143 R CA -0.397 55.692 56.100 -0.018 0.000 1.042 143 R CB -0.255 30.036 30.300 -0.014 0.000 1.410 143 R HN 0.076 nan 8.270 nan 0.000 0.494 144 G N 0.297 109.089 108.800 -0.015 0.000 2.750 144 G HA2 0.322 4.282 3.960 0.001 0.000 0.250 144 G HA3 0.322 4.282 3.960 0.001 0.000 0.250 144 G C -0.687 174.207 174.900 -0.010 0.000 1.230 144 G CA -0.169 44.924 45.100 -0.012 0.000 0.883 144 G HN 0.154 nan 8.290 nan 0.000 0.573 145 V N 0.425 120.336 119.914 -0.005 0.000 2.851 145 V HA 0.595 4.715 4.120 0.001 0.000 0.307 145 V C -0.211 175.888 176.094 0.008 0.000 1.129 145 V CA -0.727 61.574 62.300 0.001 0.000 0.932 145 V CB 2.302 34.125 31.823 0.000 0.000 1.024 145 V HN 0.931 nan 8.190 nan 0.000 0.426 146 R N 1.952 122.461 120.500 0.015 0.000 2.888 146 R HA 0.720 5.061 4.340 0.001 0.000 0.266 146 R C -1.096 175.220 176.300 0.025 0.000 1.020 146 R CA -0.864 55.247 56.100 0.018 0.000 0.963 146 R CB 2.177 32.487 30.300 0.017 0.000 1.197 146 R HN 0.466 nan 8.270 nan 0.000 0.481 147 V N 1.839 121.769 119.914 0.028 0.000 2.617 147 V HA 0.152 4.272 4.120 0.001 0.000 0.304 147 V C 1.316 177.431 176.094 0.034 0.000 1.040 147 V CA 2.279 64.600 62.300 0.035 0.000 1.149 147 V CB 0.765 32.608 31.823 0.034 0.000 0.914 147 V HN 1.083 nan 8.190 nan 0.000 0.487 148 G N 3.820 112.644 108.800 0.040 0.000 2.213 148 G HA2 -0.176 3.785 3.960 0.001 0.000 0.226 148 G HA3 -0.176 3.785 3.960 0.001 0.000 0.226 148 G C -0.022 174.886 174.900 0.014 0.000 0.992 148 G CA 0.001 45.122 45.100 0.034 0.000 0.632 148 G HN 0.655 nan 8.290 nan 0.000 0.511 149 D N 0.991 121.404 120.400 0.021 0.000 2.372 149 D HA 0.483 5.124 4.640 0.001 0.000 0.243 149 D C 0.700 177.012 176.300 0.019 0.000 1.121 149 D CA 0.148 54.159 54.000 0.019 0.000 0.898 149 D CB 0.888 41.707 40.800 0.032 0.000 1.202 149 D HN 0.134 nan 8.370 nan 0.000 0.428 150 I N 1.191 121.766 120.570 0.008 0.000 2.412 150 I HA 0.478 4.648 4.170 0.001 0.000 0.296 150 I C 0.237 176.435 176.117 0.135 0.000 0.987 150 I CA -0.865 60.440 61.300 0.008 0.000 1.180 150 I CB 1.054 38.926 38.000 -0.212 0.000 1.340 150 I HN 0.263 nan 8.210 nan 0.000 0.455 151 A N 6.306 129.226 122.820 0.166 0.000 2.355 151 A HA 0.883 5.203 4.320 0.001 0.000 0.324 151 A C -0.482 177.252 177.584 0.250 0.000 1.117 151 A CA -0.459 51.693 52.037 0.191 0.000 0.785 151 A CB 1.870 20.975 19.000 0.175 0.000 1.254 151 A HN 0.570 nan 8.150 nan 0.000 0.453 152 V N -0.578 119.456 119.914 0.200 0.000 3.158 152 V HA 0.663 4.784 4.120 0.001 0.000 0.311 152 V C -0.201 175.983 176.094 0.150 0.000 1.181 152 V CA -1.225 61.183 62.300 0.179 0.000 1.054 152 V CB 1.273 33.188 31.823 0.152 0.000 1.085 152 V HN 0.692 nan 8.190 nan 0.000 0.446 153 I N 2.084 122.730 120.570 0.128 0.000 2.648 153 I HA 0.202 4.372 4.170 0.001 0.000 0.284 153 I C 0.045 176.187 176.117 0.043 0.000 1.153 153 I CA 0.697 62.047 61.300 0.083 0.000 1.426 153 I CB 0.407 38.452 38.000 0.075 0.000 1.381 153 I HN 0.873 nan 8.210 nan 0.000 0.571 154 D N 6.174 126.582 120.400 0.012 0.000 2.479 154 D HA 0.288 4.929 4.640 0.001 0.000 0.218 154 D C -0.436 175.868 176.300 0.007 0.000 1.131 154 D CA -0.218 53.781 54.000 -0.003 0.000 0.916 154 D CB 0.296 41.078 40.800 -0.030 0.000 1.022 154 D HN 0.402 nan 8.370 nan 0.000 0.515 155 Q N 1.612 121.424 119.800 0.020 0.000 2.305 155 Q HA 0.440 4.781 4.340 0.001 0.000 0.271 155 Q C -1.395 174.629 176.000 0.039 0.000 1.046 155 Q CA -0.622 55.202 55.803 0.035 0.000 0.798 155 Q CB 1.796 30.556 28.738 0.038 0.000 1.286 155 Q HN 0.160 nan 8.270 nan 0.000 0.435 156 T N 2.695 117.288 114.554 0.064 0.000 2.749 156 T HA 0.749 5.100 4.350 0.001 0.000 0.287 156 T C -0.337 174.431 174.700 0.114 0.000 0.970 156 T CA -0.106 62.035 62.100 0.068 0.000 0.980 156 T CB 0.951 69.857 68.868 0.064 0.000 0.924 156 T HN 0.727 nan 8.240 nan 0.000 0.456 157 A N 3.658 126.512 122.820 0.056 0.000 2.425 157 A HA 0.685 5.006 4.320 0.001 0.000 0.242 157 A C -0.233 177.419 177.584 0.113 0.000 1.077 157 A CA -0.231 51.812 52.037 0.010 0.000 0.781 157 A CB -0.219 18.753 19.000 -0.046 0.000 1.020 157 A HN 0.834 nan 8.150 nan 0.000 0.494 158 F N -1.530 118.418 119.950 -0.004 0.000 2.685 158 F HA 0.754 5.282 4.527 0.001 0.000 0.315 158 F C -0.633 175.169 175.800 0.002 0.000 1.126 158 F CA -1.051 56.948 58.000 -0.002 0.000 0.950 158 F CB 1.278 40.275 39.000 -0.005 0.000 1.360 158 F HN 0.535 nan 8.300 nan 0.000 0.469 159 E N 0.406 120.756 120.200 0.251 0.000 2.183 159 E HA 0.524 4.875 4.350 0.001 0.000 0.271 159 E C -1.314 175.448 176.600 0.270 0.000 0.919 159 E CA -1.023 55.464 56.400 0.144 0.000 0.781 159 E CB 2.202 31.956 29.700 0.091 0.000 1.140 159 E HN 0.722 nan 8.360 nan 0.000 0.402 160 T N 2.352 117.023 114.554 0.196 0.000 3.109 160 T HA 0.206 4.557 4.350 0.001 0.000 0.311 160 T C -0.694 174.070 174.700 0.106 0.000 1.011 160 T CA -0.520 61.698 62.100 0.195 0.000 1.026 160 T CB 0.041 69.092 68.868 0.305 0.000 1.047 160 T HN 0.736 nan 8.240 nan 0.000 0.448 161 N N 3.383 122.130 118.700 0.079 0.000 2.714 161 N HA -0.251 4.490 4.740 0.001 0.000 0.252 161 N C 0.942 176.479 175.510 0.044 0.000 1.014 161 N CA 0.906 53.990 53.050 0.056 0.000 0.735 161 N CB -1.022 37.499 38.487 0.057 0.000 0.924 161 N HN 1.318 nan 8.380 nan 0.000 0.540 162 G N -1.552 107.272 108.800 0.041 0.000 2.184 162 G HA2 -0.353 3.608 3.960 0.001 0.000 0.264 162 G HA3 -0.353 3.608 3.960 0.001 0.000 0.264 162 G C 0.115 175.026 174.900 0.018 0.000 0.975 162 G CA 0.840 45.958 45.100 0.029 0.000 0.642 162 G HN 0.341 nan 8.290 nan 0.000 0.536 163 K N -0.230 120.180 120.400 0.016 0.000 2.185 163 K HA 0.774 5.095 4.320 0.001 0.000 0.240 163 K C -0.131 176.440 176.600 -0.047 0.000 0.983 163 K CA -0.842 55.436 56.287 -0.015 0.000 0.873 163 K CB 2.300 34.791 32.500 -0.016 0.000 1.118 163 K HN 0.133 nan 8.250 nan 0.000 0.441 164 V N 1.508 121.367 119.914 -0.092 0.000 2.495 164 V HA 0.369 4.489 4.120 0.001 0.000 0.298 164 V C -0.565 175.374 176.094 -0.258 0.000 1.031 164 V CA -0.887 61.322 62.300 -0.151 0.000 0.871 164 V CB 1.973 33.736 31.823 -0.099 0.000 0.988 164 V HN 0.388 nan 8.190 nan 0.000 0.432 165 V N 3.713 123.328 119.914 -0.499 0.000 2.540 165 V HA 1.020 5.141 4.120 0.001 0.000 0.302 165 V C 0.375 176.166 176.094 -0.505 0.000 1.035 165 V CA 0.146 62.080 62.300 -0.610 0.000 0.873 165 V CB 1.502 32.613 31.823 -1.187 0.000 0.992 165 V HN 1.133 nan 8.190 nan 0.000 0.428 166 G N 3.668 112.318 108.800 -0.251 0.000 2.368 166 G HA2 0.393 4.354 3.960 0.001 0.000 0.293 166 G HA3 0.393 4.354 3.960 0.001 0.000 0.293 166 G C -1.284 173.577 174.900 -0.064 0.000 1.467 166 G CA -0.879 44.140 45.100 -0.134 0.000 0.804 166 G HN 0.811 nan 8.290 nan 0.000 0.535 167 K N -0.478 119.907 120.400 -0.025 0.000 2.180 167 K HA 0.568 4.889 4.320 0.001 0.000 0.251 167 K C 1.003 177.601 176.600 -0.004 0.000 1.014 167 K CA 0.563 56.850 56.287 0.000 0.000 0.913 167 K CB 1.136 33.648 32.500 0.020 0.000 1.008 167 K HN 2.223 nan 8.250 nan 0.000 0.490 168 A N 0.755 123.582 122.820 0.012 0.000 2.790 168 A HA -0.189 4.131 4.320 0.001 0.000 0.277 168 A C 0.947 178.533 177.584 0.003 0.000 1.435 168 A CA 1.326 53.372 52.037 0.015 0.000 0.877 168 A CB -2.331 16.680 19.000 0.018 0.000 1.007 168 A HN 0.736 nan 8.150 nan 0.000 0.613 169 L N -0.606 120.608 121.223 -0.016 0.000 2.275 169 L HA -0.140 4.200 4.340 0.001 0.000 0.215 169 L C 2.203 179.064 176.870 -0.015 0.000 1.119 169 L CA 1.510 56.336 54.840 -0.023 0.000 0.790 169 L CB -0.499 41.531 42.059 -0.048 0.000 0.919 169 L HN 0.769 nan 8.230 nan 0.000 0.443 170 D N -1.151 119.236 120.400 -0.022 0.000 2.265 170 D HA -0.207 4.434 4.640 0.001 0.000 0.208 170 D C 1.617 177.932 176.300 0.024 0.000 0.977 170 D CA 1.189 55.174 54.000 -0.024 0.000 0.871 170 D CB -0.139 40.621 40.800 -0.067 0.000 0.925 170 D HN 0.240 nan 8.370 nan 0.000 0.485 171 N N -0.915 117.812 118.700 0.045 0.000 2.516 171 N HA 0.084 4.824 4.740 0.001 0.000 0.197 171 N C 1.504 177.069 175.510 0.092 0.000 1.064 171 N CA 0.042 53.148 53.050 0.093 0.000 0.866 171 N CB 0.230 38.785 38.487 0.115 0.000 1.255 171 N HN 0.002 nan 8.380 nan 0.000 0.447 172 R N 1.284 121.820 120.500 0.059 0.000 2.148 172 R HA 0.144 4.485 4.340 0.001 0.000 0.227 172 R C 1.792 178.119 176.300 0.046 0.000 1.103 172 R CA 0.749 56.880 56.100 0.052 0.000 0.983 172 R CB -0.627 29.682 30.300 0.014 0.000 0.874 172 R HN 0.167 nan 8.270 nan 0.000 0.451 173 A N 0.674 123.510 122.820 0.026 0.000 1.930 173 A HA -0.097 4.224 4.320 0.001 0.000 0.217 173 A C 2.328 179.931 177.584 0.031 0.000 1.175 173 A CA 1.587 53.633 52.037 0.015 0.000 0.627 173 A CB -0.325 18.672 19.000 -0.005 0.000 0.815 173 A HN 0.229 nan 8.150 nan 0.000 0.443 174 S N -0.926 114.803 115.700 0.049 0.000 2.383 174 S HA -0.170 4.301 4.470 0.001 0.000 0.227 174 S C 1.918 176.572 174.600 0.090 0.000 1.026 174 S CA 1.258 59.488 58.200 0.050 0.000 0.981 174 S CB -0.643 62.595 63.200 0.064 0.000 0.818 174 S HN 0.721 nan 8.310 nan 0.000 0.472 175 C N 1.515 120.914 119.300 0.165 0.000 2.413 175 C HA -0.035 4.425 4.460 0.001 0.000 0.276 175 C C 2.950 178.087 174.990 0.245 0.000 1.248 175 C CA 0.645 59.858 59.018 0.325 0.000 1.742 175 C CB -1.728 26.175 27.740 0.272 0.000 2.017 175 C HN 0.723 nan 8.230 nan 0.000 0.481 176 G N 0.256 109.129 108.800 0.121 0.000 2.440 176 G HA2 -0.176 3.785 3.960 0.001 0.000 0.218 176 G HA3 -0.176 3.785 3.960 0.001 0.000 0.218 176 G C 1.679 176.584 174.900 0.010 0.000 1.154 176 G CA 1.332 46.469 45.100 0.061 0.000 0.767 176 G HN 0.396 nan 8.290 nan 0.000 0.552 177 V N 1.084 120.995 119.914 -0.004 0.000 2.287 177 V HA -0.157 3.964 4.120 0.001 0.000 0.248 177 V C 2.916 178.952 176.094 -0.096 0.000 1.053 177 V CA 1.604 63.862 62.300 -0.070 0.000 1.027 177 V CB -0.435 31.341 31.823 -0.078 0.000 0.646 177 V HN 0.357 nan 8.190 nan 0.000 0.447 178 L N -0.692 120.520 121.223 -0.017 0.000 2.141 178 L HA -0.109 4.231 4.340 0.001 0.000 0.209 178 L C 2.456 179.382 176.870 0.094 0.000 1.094 178 L CA 0.861 55.698 54.840 -0.005 0.000 0.763 178 L CB -0.656 41.336 42.059 -0.113 0.000 0.908 178 L HN 0.212 nan 8.230 nan 0.000 0.437 179 V N -0.165 119.838 119.914 0.149 0.000 2.343 179 V HA -0.233 3.888 4.120 0.001 0.000 0.247 179 V C 2.594 178.584 176.094 -0.173 0.000 1.051 179 V CA 1.508 63.845 62.300 0.062 0.000 1.036 179 V CB -0.447 31.406 31.823 0.050 0.000 0.654 179 V HN 0.375 nan 8.190 nan 0.000 0.451 180 K N -0.106 120.123 120.400 -0.286 0.000 2.097 180 K HA -0.063 4.258 4.320 0.001 0.000 0.205 180 K C 2.119 178.220 176.600 -0.833 0.000 1.050 180 K CA 0.973 56.858 56.287 -0.672 0.000 0.938 180 K CB -0.756 31.346 32.500 -0.663 0.000 0.718 180 K HN 0.399 nan 8.250 nan 0.000 0.442 181 V N 2.069 121.726 119.914 -0.429 0.000 2.287 181 V HA -0.247 3.873 4.120 0.001 0.000 0.248 181 V C 2.462 178.446 176.094 -0.184 0.000 1.053 181 V CA 1.573 63.724 62.300 -0.248 0.000 1.027 181 V CB -0.495 31.241 31.823 -0.146 0.000 0.646 181 V HN 0.197 nan 8.190 nan 0.000 0.447 182 L N -0.248 120.876 121.223 -0.165 0.000 2.046 182 L HA -0.214 4.127 4.340 0.001 0.000 0.208 182 L C 2.633 179.315 176.870 -0.313 0.000 1.077 182 L CA 2.013 56.788 54.840 -0.108 0.000 0.747 182 L CB -0.612 41.466 42.059 0.032 0.000 0.896 182 L HN 0.454 nan 8.230 nan 0.000 0.432 183 E N 0.274 120.054 120.200 -0.699 0.000 2.051 183 E HA -0.233 4.118 4.350 0.001 0.000 0.192 183 E C 2.214 178.623 176.600 -0.319 0.000 0.991 183 E CA 1.439 57.194 56.400 -1.075 0.000 0.799 183 E CB -0.013 29.059 29.700 -1.046 0.000 0.748 183 E HN 0.337 nan 8.360 nan 0.000 0.449 184 F N 0.929 120.744 119.950 -0.225 0.000 2.234 184 F HA -0.067 4.461 4.527 0.001 0.000 0.299 184 F C 2.262 178.079 175.800 0.029 0.000 1.087 184 F CA 0.598 58.550 58.000 -0.081 0.000 1.340 184 F CB -0.792 38.189 39.000 -0.032 0.000 1.031 184 F HN 0.070 nan 8.300 nan 0.000 0.500 185 L N -0.309 121.040 121.223 0.210 0.000 2.265 185 L HA -0.188 4.153 4.340 0.001 0.000 0.215 185 L C 2.370 179.404 176.870 0.273 0.000 1.117 185 L CA 0.842 55.817 54.840 0.225 0.000 0.782 185 L CB -0.547 41.517 42.059 0.008 0.000 0.914 185 L HN -0.027 nan 8.230 nan 0.000 0.441 186 K N 0.474 120.981 120.400 0.178 0.000 2.281 186 K HA -0.173 4.148 4.320 0.001 0.000 0.203 186 K C 2.368 179.021 176.600 0.088 0.000 1.046 186 K CA 1.509 57.895 56.287 0.166 0.000 0.938 186 K CB -0.371 32.249 32.500 0.199 0.000 0.737 186 K HN 0.390 nan 8.250 nan 0.000 0.458 187 R N 0.372 120.867 120.500 -0.008 0.000 2.275 187 R HA 0.003 4.344 4.340 0.001 0.000 0.199 187 R C 0.389 176.502 176.300 -0.312 0.000 0.989 187 R CA 0.878 56.839 56.100 -0.232 0.000 1.016 187 R CB -0.583 29.413 30.300 -0.507 0.000 0.918 187 R HN 0.143 nan 8.270 nan 0.000 0.473 188 Y N -1.564 118.801 120.300 0.108 0.000 2.562 188 Y HA 0.417 4.968 4.550 0.001 0.000 0.343 188 Y C -0.186 175.775 175.900 0.102 0.000 1.025 188 Y CA -2.001 56.166 58.100 0.111 0.000 1.082 188 Y CB 1.993 40.539 38.460 0.144 0.000 1.264 188 Y HN 0.095 nan 8.280 nan 0.000 0.478 189 D N 1.195 121.733 120.400 0.229 0.000 2.943 189 D HA 0.085 4.726 4.640 0.001 0.000 0.249 189 D C -0.491 175.840 176.300 0.051 0.000 1.231 189 D CA -0.386 53.643 54.000 0.049 0.000 0.979 189 D CB -0.880 39.938 40.800 0.030 0.000 1.053 189 D HN 0.581 nan 8.370 nan 0.000 0.504 190 H N -0.801 118.337 119.070 0.114 0.000 2.964 190 H HA 0.196 4.752 4.556 0.001 0.000 0.328 190 H C -1.929 173.434 175.328 0.058 0.000 1.030 190 H CA -1.286 54.811 56.048 0.083 0.000 1.445 190 H CB 0.569 30.385 29.762 0.090 0.000 1.449 190 H HN 0.009 nan 8.280 nan 0.000 0.581 191 P HA -0.070 nan 4.420 nan 0.000 0.219 191 P C -0.482 176.802 177.300 -0.028 0.000 1.150 191 P CA 0.759 63.851 63.100 -0.014 0.000 0.814 191 P CB 0.230 31.873 31.700 -0.096 0.000 0.787 192 W N 0.854 122.222 121.300 0.113 0.000 2.251 192 W HA 0.177 4.838 4.660 0.001 0.000 0.329 192 W C 0.372 176.961 176.519 0.117 0.000 1.234 192 W CA -0.090 57.305 57.345 0.084 0.000 1.228 192 W CB 0.098 29.577 29.460 0.032 0.000 1.135 192 W HN -0.189 nan 8.180 nan 0.000 0.576 193 D N 1.494 122.073 120.400 0.299 0.000 2.308 193 D HA 0.283 4.924 4.640 0.001 0.000 0.251 193 D C -0.618 175.736 176.300 0.090 0.000 1.127 193 D CA -0.107 53.987 54.000 0.157 0.000 0.876 193 D CB 1.366 42.302 40.800 0.226 0.000 1.176 193 D HN -0.083 nan 8.370 nan 0.000 0.446 194 V N 3.265 123.086 119.914 -0.156 0.000 2.459 194 V HA 0.310 4.431 4.120 0.001 0.000 0.295 194 V C -0.900 174.938 176.094 -0.426 0.000 1.029 194 V CA -0.730 61.407 62.300 -0.271 0.000 0.874 194 V CB 1.060 32.713 31.823 -0.283 0.000 0.985 194 V HN 0.372 nan 8.190 nan 0.000 0.438 195 Y N 2.947 123.079 120.300 -0.281 0.000 2.331 195 Y HA 0.612 5.163 4.550 0.001 0.000 0.334 195 Y C -0.089 175.594 175.900 -0.361 0.000 0.960 195 Y CA -0.862 57.095 58.100 -0.239 0.000 1.130 195 Y CB 2.053 40.355 38.460 -0.262 0.000 1.164 195 Y HN 0.344 nan 8.280 nan 0.000 0.458 196 V N 5.072 124.918 119.914 -0.113 0.000 2.384 196 V HA 0.474 4.594 4.120 0.001 0.000 0.287 196 V C -0.528 175.391 176.094 -0.293 0.000 1.020 196 V CA -0.864 61.305 62.300 -0.218 0.000 0.850 196 V CB 1.413 33.188 31.823 -0.079 0.000 0.987 196 V HN 0.505 nan 8.190 nan 0.000 0.436 197 V N 5.675 125.289 119.914 -0.500 0.000 2.409 197 V HA 0.496 4.616 4.120 0.001 0.000 0.291 197 V C -0.712 175.152 176.094 -0.383 0.000 1.020 197 V CA -0.442 61.672 62.300 -0.309 0.000 0.848 197 V CB 1.406 33.073 31.823 -0.261 0.000 0.990 197 V HN 0.698 nan 8.190 nan 0.000 0.430 198 F N 2.649 122.638 119.950 0.065 0.000 2.293 198 F HA 0.434 4.961 4.527 0.001 0.000 0.370 198 F C 0.833 176.680 175.800 0.079 0.000 1.090 198 F CA -0.153 57.891 58.000 0.072 0.000 1.133 198 F CB 1.529 40.574 39.000 0.074 0.000 1.360 198 F HN 0.435 nan 8.300 nan 0.000 0.489 199 S N 2.987 118.789 115.700 0.171 0.000 2.513 199 S HA 0.599 5.069 4.470 0.001 0.000 0.276 199 S C -0.014 174.673 174.600 0.145 0.000 1.254 199 S CA -0.788 57.489 58.200 0.128 0.000 1.053 199 S CB 0.486 63.706 63.200 0.032 0.000 0.958 199 S HN 0.440 nan 8.310 nan 0.000 0.491 200 V N 3.877 123.863 119.914 0.120 0.000 3.262 200 V HA 0.447 4.568 4.120 0.001 0.000 0.313 200 V C 1.550 177.687 176.094 0.071 0.000 1.070 200 V CA -0.473 61.886 62.300 0.098 0.000 1.049 200 V CB 0.974 32.842 31.823 0.075 0.000 1.157 200 V HN 0.934 nan 8.190 nan 0.000 0.454 201 Q N 0.110 119.935 119.800 0.041 0.000 2.124 201 Q HA -0.172 4.169 4.340 0.001 0.000 0.202 201 Q C 1.773 177.747 176.000 -0.043 0.000 0.977 201 Q CA 2.314 58.125 55.803 0.013 0.000 0.850 201 Q CB 0.043 28.772 28.738 -0.015 0.000 0.901 201 Q HN 0.945 nan 8.270 nan 0.000 0.429 202 E N 0.630 120.777 120.200 -0.088 0.000 2.485 202 E HA -0.028 4.323 4.350 0.001 0.000 0.194 202 E C -0.268 176.096 176.600 -0.393 0.000 1.098 202 E CA -0.099 56.181 56.400 -0.201 0.000 0.878 202 E CB 0.258 29.861 29.700 -0.162 0.000 0.939 202 E HN 0.262 nan 8.360 nan 0.000 0.503 203 E N 0.057 120.116 120.200 -0.235 0.000 2.349 203 E HA 0.012 4.363 4.350 0.001 0.000 0.262 203 E C 1.275 177.784 176.600 -0.152 0.000 1.088 203 E CA 0.156 56.424 56.400 -0.220 0.000 0.899 203 E CB 1.267 30.930 29.700 -0.061 0.000 1.044 203 E HN 0.110 nan 8.360 nan 0.000 0.420 204 T N -1.602 112.882 114.554 -0.116 0.000 2.985 204 T HA 0.183 4.534 4.350 0.001 0.000 0.266 204 T C 0.883 175.550 174.700 -0.056 0.000 1.076 204 T CA 0.588 62.644 62.100 -0.074 0.000 1.135 204 T CB 0.176 69.015 68.868 -0.049 0.000 0.890 204 T HN 0.583 nan 8.240 nan 0.000 0.480 205 G N -1.299 107.463 108.800 -0.064 0.000 2.342 205 G HA2 0.354 4.314 3.960 0.001 0.000 0.297 205 G HA3 0.354 4.314 3.960 0.001 0.000 0.297 205 G C 0.411 175.221 174.900 -0.150 0.000 1.313 205 G CA -0.216 44.828 45.100 -0.094 0.000 0.830 205 G HN 0.075 nan 8.290 nan 0.000 0.506 206 C N -0.395 118.724 119.300 -0.303 0.000 2.429 206 C HA 0.033 4.493 4.460 0.001 0.000 0.277 206 C C 2.833 177.617 174.990 -0.343 0.000 1.262 206 C CA 1.006 59.715 59.018 -0.516 0.000 1.733 206 C CB -1.279 25.732 27.740 -1.215 0.000 2.010 206 C HN 0.518 nan 8.230 nan 0.000 0.483 207 L N 0.948 121.994 121.223 -0.296 0.000 2.056 207 L HA -0.052 4.288 4.340 0.001 0.000 0.207 207 L C 2.691 179.554 176.870 -0.012 0.000 1.078 207 L CA 1.889 56.669 54.840 -0.101 0.000 0.749 207 L CB -1.056 40.942 42.059 -0.101 0.000 0.901 207 L HN 0.501 nan 8.230 nan 0.000 0.433 208 G N -0.913 107.868 108.800 -0.033 0.000 2.422 208 G HA2 -0.276 3.685 3.960 0.001 0.000 0.218 208 G HA3 -0.276 3.685 3.960 0.001 0.000 0.218 208 G C 1.668 176.595 174.900 0.045 0.000 1.146 208 G CA 0.799 45.902 45.100 0.005 0.000 0.769 208 G HN 0.533 nan 8.290 nan 0.000 0.547 209 A N 0.629 123.481 122.820 0.053 0.000 1.858 209 A HA 0.062 4.383 4.320 0.001 0.000 0.216 209 A C 2.357 180.022 177.584 0.135 0.000 1.190 209 A CA 1.705 53.804 52.037 0.103 0.000 0.617 209 A CB -0.558 18.511 19.000 0.115 0.000 0.827 209 A HN 0.512 nan 8.150 nan 0.000 0.443 210 L N 0.739 122.074 121.223 0.187 0.000 2.042 210 L HA -0.152 4.189 4.340 0.001 0.000 0.210 210 L C 2.489 179.426 176.870 0.110 0.000 1.076 210 L CA 3.073 58.017 54.840 0.173 0.000 0.749 210 L CB -1.064 41.126 42.059 0.217 0.000 0.893 210 L HN 0.534 nan 8.230 nan 0.000 0.432 211 T N -3.951 110.646 114.554 0.071 0.000 3.118 211 T HA 0.070 4.421 4.350 0.001 0.000 0.260 211 T C 1.746 176.459 174.700 0.022 0.000 1.139 211 T CA 0.434 62.555 62.100 0.034 0.000 1.085 211 T CB -0.908 67.969 68.868 0.015 0.000 0.934 211 T HN 0.419 nan 8.240 nan 0.000 0.518 212 G N 0.287 109.111 108.800 0.040 0.000 2.650 212 G HA2 0.356 4.317 3.960 0.001 0.000 0.214 212 G HA3 0.356 4.317 3.960 0.001 0.000 0.214 212 G C 1.320 176.202 174.900 -0.029 0.000 1.136 212 G CA 0.445 45.559 45.100 0.023 0.000 0.789 212 G HN 0.699 nan 8.290 nan 0.000 0.536 213 A N -0.972 121.821 122.820 -0.045 0.000 1.988 213 A HA 0.607 4.928 4.320 0.001 0.000 0.198 213 A C -0.069 177.255 177.584 -0.434 0.000 1.507 213 A CA 0.096 52.007 52.037 -0.210 0.000 0.901 213 A CB 0.523 19.460 19.000 -0.106 0.000 1.007 213 A HN 0.157 nan 8.150 nan 0.000 0.502 214 Y N -0.016 120.267 120.300 -0.029 0.000 2.329 214 Y HA 0.528 5.079 4.550 0.001 0.000 0.328 214 Y C 0.323 176.158 175.900 -0.108 0.000 0.992 214 Y CA -0.369 57.684 58.100 -0.077 0.000 1.151 214 Y CB 1.289 39.679 38.460 -0.116 0.000 1.150 214 Y HN 0.240 nan 8.280 nan 0.000 0.450 215 E N 5.062 125.283 120.200 0.035 0.000 1.842 215 E HA 0.493 4.844 4.350 0.001 0.000 0.278 215 E C -0.498 176.088 176.600 -0.023 0.000 1.171 215 E CA -0.058 56.341 56.400 -0.002 0.000 1.127 215 E CB -0.835 28.860 29.700 -0.008 0.000 1.100 215 E HN 0.650 nan 8.360 nan 0.000 0.456 216 I N -2.935 117.595 120.570 -0.067 0.000 3.145 216 I HA 0.707 4.878 4.170 0.001 0.000 0.313 216 I C -0.627 175.430 176.117 -0.101 0.000 1.122 216 I CA -1.602 59.630 61.300 -0.115 0.000 0.987 216 I CB 2.837 40.673 38.000 -0.272 0.000 1.236 216 I HN 0.055 nan 8.210 nan 0.000 0.453 217 N N 2.974 121.626 118.700 -0.079 0.000 2.569 217 N HA 0.559 5.300 4.740 0.001 0.000 0.254 217 N C -2.720 172.767 175.510 -0.039 0.000 1.004 217 N CA -1.737 51.286 53.050 -0.045 0.000 0.904 217 N CB 1.381 39.858 38.487 -0.017 0.000 1.165 217 N HN 0.432 nan 8.380 nan 0.000 0.513 218 P HA 0.135 nan 4.420 nan 0.000 0.269 218 P C -0.175 177.152 177.300 0.045 0.000 1.209 218 P CA -0.015 63.076 63.100 -0.015 0.000 0.776 218 P CB 1.036 32.722 31.700 -0.023 0.000 0.876 219 D N 0.110 120.576 120.400 0.111 0.000 2.277 219 D HA 0.130 4.771 4.640 0.001 0.000 0.208 219 D C 0.549 176.901 176.300 0.087 0.000 0.962 219 D CA 1.020 55.111 54.000 0.152 0.000 0.865 219 D CB 0.354 41.359 40.800 0.341 0.000 0.939 219 D HN 0.474 nan 8.370 nan 0.000 0.510 220 A N -0.094 122.730 122.820 0.006 0.000 2.566 220 A HA 0.686 5.007 4.320 0.001 0.000 0.297 220 A C -1.533 176.021 177.584 -0.049 0.000 1.059 220 A CA -0.410 51.594 52.037 -0.054 0.000 0.691 220 A CB 1.878 20.778 19.000 -0.166 0.000 1.282 220 A HN 0.037 nan 8.150 nan 0.000 0.401 221 A N 1.591 124.426 122.820 0.024 0.000 2.414 221 A HA 0.824 5.145 4.320 0.001 0.000 0.306 221 A C -0.984 176.688 177.584 0.146 0.000 1.054 221 A CA -0.398 51.710 52.037 0.119 0.000 0.724 221 A CB 0.868 19.989 19.000 0.201 0.000 1.267 221 A HN 0.841 nan 8.150 nan 0.000 0.418 222 I N 2.894 123.617 120.570 0.255 0.000 2.410 222 I HA 0.389 4.559 4.170 0.001 0.000 0.286 222 I C -0.360 175.888 176.117 0.219 0.000 1.009 222 I CA -0.708 60.723 61.300 0.219 0.000 1.111 222 I CB 1.589 39.718 38.000 0.214 0.000 1.262 222 I HN 0.358 nan 8.210 nan 0.000 0.443 226 V N -1.960 117.980 119.914 0.044 0.000 3.001 226 V HA 0.992 5.112 4.120 0.001 0.000 0.314 226 V C -0.291 175.811 176.094 0.013 0.000 1.099 226 V CA -0.275 62.035 62.300 0.016 0.000 0.989 226 V CB 1.632 33.449 31.823 -0.009 0.000 1.040 226 V HN 0.683 nan 8.190 nan 0.000 0.434 227 T N 0.180 114.748 114.554 0.022 0.000 2.739 227 T HA 0.763 5.114 4.350 0.001 0.000 0.303 227 T C -0.985 173.788 174.700 0.121 0.000 1.389 227 T CA 0.427 62.546 62.100 0.031 0.000 1.001 227 T CB 1.961 70.824 68.868 -0.007 0.000 1.436 227 T HN 0.963 nan 8.240 nan 0.000 0.500 228 F N 0.439 120.323 119.950 -0.111 0.000 1.752 228 F HA 0.667 5.195 4.527 0.001 0.000 0.241 228 F C 0.236 175.958 175.800 -0.130 0.000 1.241 228 F CA 0.630 58.550 58.000 -0.134 0.000 1.308 228 F CB -0.247 38.664 39.000 -0.148 0.000 1.944 228 F HN 0.738 nan 8.300 nan 0.000 0.212 229 A N 1.427 124.229 122.820 -0.030 0.000 2.351 229 A HA 0.611 4.932 4.320 0.001 0.000 0.257 229 A C 0.085 177.615 177.584 -0.089 0.000 1.087 229 A CA 0.224 52.203 52.037 -0.096 0.000 0.798 229 A CB 0.169 19.182 19.000 0.022 0.000 1.033 229 A HN 0.271 nan 8.150 nan 0.000 0.488 230 S N 0.097 115.753 115.700 -0.075 0.000 2.617 230 S HA 0.620 5.091 4.470 0.001 0.000 0.283 230 S C 0.478 175.115 174.600 0.061 0.000 1.189 230 S CA 0.172 58.372 58.200 0.000 0.000 1.036 230 S CB 1.319 64.551 63.200 0.053 0.000 1.014 230 S HN 1.063 nan 8.310 nan 0.000 0.522 231 E N 1.888 122.151 120.200 0.105 0.000 2.248 231 E HA 0.568 4.919 4.350 0.001 0.000 0.272 231 E C -2.939 173.732 176.600 0.117 0.000 1.008 231 E CA -2.452 54.003 56.400 0.092 0.000 0.856 231 E CB -0.588 29.159 29.700 0.078 0.000 1.120 231 E HN 0.407 nan 8.360 nan 0.000 0.397 232 P HA 0.052 nan 4.420 nan 0.000 0.266 232 P C -1.825 175.454 177.300 -0.036 0.000 1.186 232 P CA -0.474 62.623 63.100 -0.005 0.000 0.767 232 P CB 0.448 32.138 31.700 -0.016 0.000 0.820 233 P HA 0.162 nan 4.420 nan 0.000 0.261 233 P C -0.495 176.588 177.300 -0.363 0.000 1.352 233 P CA 0.012 62.941 63.100 -0.285 0.000 0.891 233 P CB 0.183 31.665 31.700 -0.364 0.000 1.383 234 F N 0.798 120.749 119.950 0.001 0.000 2.389 234 F HA 0.255 4.783 4.527 0.001 0.000 0.337 234 F C 1.558 177.370 175.800 0.020 0.000 1.112 234 F CA -0.331 57.676 58.000 0.011 0.000 1.192 234 F CB 0.602 39.619 39.000 0.029 0.000 1.185 234 F HN -0.201 nan 8.300 nan 0.000 0.552 235 S N 1.458 117.302 115.700 0.240 0.000 2.528 235 S HA 0.128 4.598 4.470 0.001 0.000 0.277 235 S C -0.575 174.138 174.600 0.189 0.000 1.297 235 S CA -1.019 57.270 58.200 0.147 0.000 1.052 235 S CB 0.014 63.275 63.200 0.100 0.000 0.917 235 S HN 0.459 nan 8.310 nan 0.000 0.492 236 D N 2.888 123.335 120.400 0.078 0.000 2.450 236 D HA 0.148 4.789 4.640 0.001 0.000 0.247 236 D C 0.957 177.247 176.300 -0.015 0.000 1.162 236 D CA 0.550 54.526 54.000 -0.040 0.000 0.879 236 D CB 0.306 41.043 40.800 -0.105 0.000 1.163 236 D HN 0.814 nan 8.370 nan 0.000 0.472 237 H N 0.978 119.944 119.070 -0.173 0.000 3.854 237 H HA 0.121 4.677 4.556 0.001 0.000 0.264 237 H C 0.078 175.284 175.328 -0.203 0.000 1.170 237 H CA -0.333 55.626 56.048 -0.149 0.000 1.167 237 H CB 0.038 29.747 29.762 -0.090 0.000 1.558 237 H HN 0.171 nan 8.280 nan 0.000 0.751 238 I N 3.109 123.234 120.570 -0.741 0.000 2.588 238 I HA 0.142 4.313 4.170 0.001 0.000 0.283 238 I C 0.288 176.138 176.117 -0.445 0.000 1.119 238 I CA 0.437 61.396 61.300 -0.569 0.000 1.419 238 I CB 0.710 38.342 38.000 -0.613 0.000 1.394 238 I HN 0.261 nan 8.210 nan 0.000 0.562 239 E N 5.485 125.621 120.200 -0.108 0.000 2.293 239 E HA 0.470 4.820 4.350 0.001 0.000 0.270 239 E C -0.946 175.755 176.600 0.168 0.000 0.879 239 E CA -0.939 55.519 56.400 0.097 0.000 0.756 239 E CB 2.655 32.388 29.700 0.054 0.000 1.208 239 E HN 0.363 nan 8.360 nan 0.000 0.428 240 L N 1.347 122.702 121.223 0.220 0.000 2.456 240 L HA 0.160 4.500 4.340 0.001 0.000 0.272 240 L C 1.377 178.281 176.870 0.057 0.000 1.189 240 L CA 0.948 55.845 54.840 0.095 0.000 0.846 240 L CB 0.052 42.121 42.059 0.016 0.000 1.111 240 L HN 1.080 nan 8.230 nan 0.000 0.475 241 G N 1.879 110.700 108.800 0.036 0.000 2.199 241 G HA2 -0.246 3.715 3.960 0.001 0.000 0.254 241 G HA3 -0.246 3.715 3.960 0.001 0.000 0.254 241 G C 0.880 175.796 174.900 0.027 0.000 0.982 241 G CA -0.134 44.983 45.100 0.028 0.000 0.632 241 G HN 0.583 nan 8.290 nan 0.000 0.529 242 K N 1.125 121.543 120.400 0.030 0.000 2.410 242 K HA 0.465 4.786 4.320 0.001 0.000 0.200 242 K C 1.208 177.818 176.600 0.017 0.000 1.023 242 K CA 0.840 57.141 56.287 0.023 0.000 1.149 242 K CB 0.294 32.808 32.500 0.023 0.000 0.859 242 K HN 1.713 nan 8.250 nan 0.000 0.514 243 G N 2.553 111.362 108.800 0.016 0.000 2.555 243 G HA2 -0.144 3.817 3.960 0.001 0.000 0.686 243 G HA3 -0.144 3.817 3.960 0.001 0.000 0.686 243 G C -3.121 171.782 174.900 0.004 0.000 1.275 243 G CA -1.175 43.930 45.100 0.009 0.000 0.871 243 G HN -0.133 nan 8.290 nan 0.000 0.603 244 P HA 0.416 nan 4.420 nan 0.000 0.269 244 P C -0.031 177.262 177.300 -0.011 0.000 1.215 244 P CA -0.158 62.936 63.100 -0.010 0.000 0.780 244 P CB 1.118 32.806 31.700 -0.021 0.000 0.898 245 V N 4.157 124.063 119.914 -0.014 0.000 2.347 245 V HA 0.180 4.301 4.120 0.001 0.000 0.280 245 V C 0.625 176.708 176.094 -0.018 0.000 1.021 245 V CA -0.755 61.532 62.300 -0.020 0.000 0.847 245 V CB 0.817 32.619 31.823 -0.035 0.000 0.990 245 V HN 0.374 nan 8.190 nan 0.000 0.444 246 I N 4.372 124.931 120.570 -0.018 0.000 2.452 246 I HA 0.257 4.428 4.170 0.001 0.000 0.287 246 I C 1.185 177.285 176.117 -0.028 0.000 1.079 246 I CA 0.491 61.781 61.300 -0.017 0.000 1.387 246 I CB 0.856 38.845 38.000 -0.017 0.000 1.404 246 I HN 0.698 nan 8.210 nan 0.000 0.522 247 G N 6.721 115.507 108.800 -0.023 0.000 2.403 247 G HA2 0.451 4.411 3.960 0.001 0.000 0.259 247 G HA3 0.451 4.411 3.960 0.001 0.000 0.259 247 G C 0.269 175.137 174.900 -0.054 0.000 1.244 247 G CA -0.394 44.678 45.100 -0.046 0.000 0.849 247 G HN 0.672 nan 8.290 nan 0.000 0.532 248 L N 2.921 124.097 121.223 -0.079 0.000 3.202 248 L HA 0.272 4.613 4.340 0.001 0.000 0.278 248 L C 1.552 178.375 176.870 -0.079 0.000 1.268 248 L CA -0.549 54.249 54.840 -0.071 0.000 1.034 248 L CB 0.358 42.370 42.059 -0.078 0.000 1.407 248 L HN 0.651 nan 8.230 nan 0.000 0.581 249 G N 0.766 109.508 108.800 -0.097 0.000 2.683 249 G HA2 0.165 4.126 3.960 0.001 0.000 0.260 249 G HA3 0.165 4.126 3.960 0.001 0.000 0.260 249 G C -1.387 173.462 174.900 -0.085 0.000 1.238 249 G CA -0.589 44.452 45.100 -0.099 0.000 0.934 249 G HN 0.026 nan 8.290 nan 0.000 0.534 250 P HA -0.083 nan 4.420 nan 0.000 0.222 250 P C 1.926 179.186 177.300 -0.066 0.000 1.147 250 P CA 1.361 64.427 63.100 -0.055 0.000 0.790 250 P CB -0.141 31.534 31.700 -0.042 0.000 0.780 251 V N -1.923 117.920 119.914 -0.119 0.000 2.951 251 V HA -0.001 4.119 4.120 0.001 0.000 0.255 251 V C 1.327 177.384 176.094 -0.061 0.000 1.088 251 V CA 0.444 62.675 62.300 -0.114 0.000 1.109 251 V CB -1.443 30.236 31.823 -0.240 0.000 0.724 251 V HN -0.015 nan 8.190 nan 0.000 0.471 252 V N -0.189 119.680 119.914 -0.075 0.000 2.924 252 V HA 0.331 4.452 4.120 0.001 0.000 0.305 252 V C 0.260 176.366 176.094 0.018 0.000 1.073 252 V CA -0.229 62.072 62.300 0.002 0.000 1.098 252 V CB 1.030 32.850 31.823 -0.005 0.000 1.000 252 V HN 0.459 nan 8.190 nan 0.000 0.484 253 D N 2.646 123.073 120.400 0.044 0.000 2.374 253 D HA 0.148 4.788 4.640 0.001 0.000 0.240 253 D C 1.045 177.358 176.300 0.022 0.000 1.229 253 D CA -0.332 53.688 54.000 0.033 0.000 0.895 253 D CB 1.138 41.963 40.800 0.042 0.000 1.046 253 D HN 0.718 nan 8.370 nan 0.000 0.498 254 R N 3.879 124.386 120.500 0.012 0.000 2.152 254 R HA -0.128 4.213 4.340 0.001 0.000 0.232 254 R C 1.747 178.053 176.300 0.010 0.000 1.117 254 R CA 1.355 57.458 56.100 0.006 0.000 0.981 254 R CB -0.328 29.971 30.300 -0.000 0.000 0.870 254 R HN 0.545 nan 8.270 nan 0.000 0.451 255 N N -0.413 118.296 118.700 0.015 0.000 2.171 255 N HA -0.158 4.583 4.740 0.001 0.000 0.184 255 N C 1.632 177.154 175.510 0.020 0.000 1.021 255 N CA 1.137 54.197 53.050 0.018 0.000 0.854 255 N CB -0.014 38.487 38.487 0.023 0.000 0.994 255 N HN 0.237 nan 8.380 nan 0.000 0.426 256 L N 1.539 122.775 121.223 0.022 0.000 2.046 256 L HA -0.084 4.257 4.340 0.001 0.000 0.208 256 L C 2.153 179.029 176.870 0.010 0.000 1.077 256 L CA 1.299 56.149 54.840 0.017 0.000 0.747 256 L CB -0.688 41.382 42.059 0.018 0.000 0.896 256 L HN -0.035 nan 8.230 nan 0.000 0.432 257 V N -0.404 119.517 119.914 0.013 0.000 2.295 257 V HA -0.320 3.801 4.120 0.001 0.000 0.246 257 V C 2.663 178.759 176.094 0.003 0.000 1.049 257 V CA 1.918 64.222 62.300 0.007 0.000 1.024 257 V CB -0.706 31.121 31.823 0.006 0.000 0.648 257 V HN 0.560 nan 8.190 nan 0.000 0.447 258 Q N 0.415 120.218 119.800 0.006 0.000 2.124 258 Q HA -0.207 4.134 4.340 0.001 0.000 0.202 258 Q C 2.135 178.141 176.000 0.010 0.000 0.977 258 Q CA 1.824 57.631 55.803 0.006 0.000 0.850 258 Q CB -0.328 28.414 28.738 0.008 0.000 0.901 258 Q HN 0.592 nan 8.270 nan 0.000 0.429 259 K N -0.376 120.032 120.400 0.014 0.000 2.103 259 K HA -0.120 4.201 4.320 0.001 0.000 0.207 259 K C 2.023 178.630 176.600 0.011 0.000 1.048 259 K CA 1.533 57.831 56.287 0.019 0.000 0.930 259 K CB -0.216 32.299 32.500 0.025 0.000 0.716 259 K HN 0.274 nan 8.250 nan 0.000 0.444 260 I N 0.846 121.415 120.570 -0.001 0.000 2.226 260 I HA -0.276 3.894 4.170 0.001 0.000 0.245 260 I C 2.189 178.306 176.117 -0.001 0.000 1.100 260 I CA 1.213 62.507 61.300 -0.010 0.000 1.374 260 I CB -0.251 37.737 38.000 -0.020 0.000 1.057 260 I HN 0.123 nan 8.210 nan 0.000 0.413 261 I N 0.526 121.097 120.570 0.001 0.000 2.286 261 I HA -0.258 3.913 4.170 0.001 0.000 0.248 261 I C 2.490 178.614 176.117 0.012 0.000 1.115 261 I CA 1.211 62.513 61.300 0.003 0.000 1.392 261 I CB -0.377 37.623 38.000 -0.000 0.000 1.065 261 I HN 0.250 nan 8.210 nan 0.000 0.418 262 E N 0.689 120.898 120.200 0.016 0.000 2.150 262 E HA -0.157 4.194 4.350 0.001 0.000 0.193 262 E C 2.252 178.876 176.600 0.039 0.000 0.985 262 E CA 1.185 57.598 56.400 0.021 0.000 0.814 262 E CB -0.192 29.521 29.700 0.022 0.000 0.752 262 E HN 0.555 nan 8.360 nan 0.000 0.466 263 I N 1.113 121.714 120.570 0.052 0.000 2.252 263 I HA -0.218 3.953 4.170 0.001 0.000 0.245 263 I C 2.464 178.660 176.117 0.131 0.000 1.102 263 I CA 0.962 62.327 61.300 0.108 0.000 1.385 263 I CB -0.276 37.759 38.000 0.058 0.000 1.064 263 I HN -0.008 nan 8.210 nan 0.000 0.414 264 A N 0.605 123.461 122.820 0.061 0.000 1.902 264 A HA -0.270 4.051 4.320 0.001 0.000 0.217 264 A C 2.392 180.008 177.584 0.054 0.000 1.181 264 A CA 1.870 53.940 52.037 0.055 0.000 0.623 264 A CB -0.534 18.478 19.000 0.020 0.000 0.818 264 A HN 0.337 nan 8.150 nan 0.000 0.443 265 K N -0.032 120.386 120.400 0.030 0.000 2.026 265 K HA -0.206 4.115 4.320 0.001 0.000 0.208 265 K C 2.201 178.791 176.600 -0.017 0.000 1.048 265 K CA 1.854 58.145 56.287 0.007 0.000 0.929 265 K CB -0.210 32.290 32.500 0.000 0.000 0.713 265 K HN 0.476 nan 8.250 nan 0.000 0.439 266 K N -0.294 120.088 120.400 -0.030 0.000 2.097 266 K HA -0.155 4.166 4.320 0.001 0.000 0.206 266 K C 1.139 177.552 176.600 -0.311 0.000 1.049 266 K CA 1.350 57.544 56.287 -0.156 0.000 0.933 266 K CB -0.026 32.373 32.500 -0.168 0.000 0.717 266 K HN 0.352 nan 8.250 nan 0.000 0.442 267 H N 0.799 119.863 119.070 -0.010 0.000 2.519 267 H HA 0.130 4.687 4.556 0.001 0.000 0.289 267 H C -0.276 175.044 175.328 -0.013 0.000 1.040 267 H CA 0.033 56.074 56.048 -0.011 0.000 1.165 267 H CB 0.192 29.944 29.762 -0.017 0.000 1.462 267 H HN 0.310 nan 8.280 nan 0.000 0.555 268 N N 0.568 119.290 118.700 0.037 0.000 2.740 268 N HA -0.159 4.582 4.740 0.001 0.000 0.248 268 N C -0.465 175.064 175.510 0.033 0.000 1.062 268 N CA 0.342 53.405 53.050 0.023 0.000 0.704 268 N CB -1.560 36.932 38.487 0.010 0.000 0.968 268 N HN 0.073 nan 8.380 nan 0.000 0.547 269 V N 0.992 120.931 119.914 0.042 0.000 2.368 269 V HA 0.145 4.265 4.120 0.001 0.000 0.266 269 V C 0.827 176.930 176.094 0.016 0.000 1.045 269 V CA -0.370 61.946 62.300 0.027 0.000 0.899 269 V CB 1.579 33.417 31.823 0.024 0.000 1.006 269 V HN 0.202 nan 8.190 nan 0.000 0.470 270 S N 6.518 122.225 115.700 0.012 0.000 2.549 270 S HA 0.564 5.034 4.470 0.001 0.000 0.279 270 S C -0.190 174.415 174.600 0.007 0.000 1.321 270 S CA -0.200 58.005 58.200 0.009 0.000 1.054 270 S CB 0.320 63.526 63.200 0.010 0.000 0.899 270 S HN 0.488 nan 8.310 nan 0.000 0.497 271 L N 2.362 123.588 121.223 0.005 0.000 2.327 271 L HA 0.551 4.891 4.340 0.001 0.000 0.258 271 L C -0.101 176.773 176.870 0.006 0.000 1.024 271 L CA -0.833 54.008 54.840 0.002 0.000 0.825 271 L CB 1.891 43.949 42.059 -0.002 0.000 1.386 271 L HN 0.542 nan 8.230 nan 0.000 0.417 272 Q N 0.618 120.421 119.800 0.005 0.000 2.552 272 Q HA 0.542 4.883 4.340 0.001 0.000 0.289 272 Q C -1.429 174.580 176.000 0.015 0.000 1.097 272 Q CA -0.853 54.962 55.803 0.020 0.000 0.812 272 Q CB 2.942 31.684 28.738 0.006 0.000 1.460 272 Q HN 0.522 nan 8.270 nan 0.000 0.452 273 E N 0.510 120.740 120.200 0.050 0.000 2.433 273 E HA 0.401 4.752 4.350 0.001 0.000 0.278 273 E C -1.592 175.029 176.600 0.035 0.000 0.976 273 E CA -0.764 55.644 56.400 0.014 0.000 0.793 273 E CB 1.983 31.673 29.700 -0.018 0.000 1.311 273 E HN 0.679 nan 8.360 nan 0.000 0.460 274 E N -0.099 120.070 120.200 -0.052 0.000 2.343 274 E HA 0.664 5.015 4.350 0.001 0.000 0.278 274 E C -0.180 176.300 176.600 -0.200 0.000 0.910 274 E CA -0.656 55.677 56.400 -0.112 0.000 0.757 274 E CB 1.660 31.291 29.700 -0.114 0.000 1.218 274 E HN 0.444 nan 8.360 nan 0.000 0.435 275 A N 2.384 124.976 122.820 -0.381 0.000 1.902 275 A HA -0.057 4.264 4.320 0.001 0.000 0.217 275 A C 1.443 178.908 177.584 -0.198 0.000 1.181 275 A CA 2.069 53.870 52.037 -0.393 0.000 0.623 275 A CB -0.274 18.241 19.000 -0.808 0.000 0.818 275 A HN 0.393 nan 8.150 nan 0.000 0.443 276 V N -2.765 117.056 119.914 -0.155 0.000 3.938 276 V HA 0.562 4.683 4.120 0.001 0.000 0.193 276 V C 1.287 177.321 176.094 -0.099 0.000 1.148 276 V CA 0.598 62.838 62.300 -0.099 0.000 1.354 276 V CB -0.800 30.992 31.823 -0.051 0.000 1.627 276 V HN 1.375 nan 8.190 nan 0.000 0.512 277 G N -0.662 108.094 108.800 -0.074 0.000 2.712 277 G HA2 0.446 4.406 3.960 0.001 0.000 0.683 277 G HA3 0.446 4.406 3.960 0.001 0.000 0.683 277 G C 0.247 175.118 174.900 -0.048 0.000 1.320 277 G CA -0.471 44.596 45.100 -0.055 0.000 0.847 277 G HN 2.154 nan 8.290 nan 0.000 0.553 278 G N -0.650 108.145 108.800 -0.008 0.000 3.209 278 G HA2 0.296 4.256 3.960 0.001 0.000 0.686 278 G HA3 0.296 4.256 3.960 0.001 0.000 0.686 278 G C -0.005 174.917 174.900 0.036 0.000 1.065 278 G CA 0.627 45.742 45.100 0.025 0.000 0.812 278 G HN 0.943 nan 8.290 nan 0.000 0.573 285 D N 0.820 121.332 120.400 0.187 0.000 2.312 285 D HA 0.086 4.727 4.640 0.001 0.000 0.211 285 D C 1.277 177.502 176.300 -0.126 0.000 0.964 285 D CA 0.848 54.855 54.000 0.011 0.000 0.877 285 D CB 0.046 40.818 40.800 -0.046 0.000 0.924 285 D HN 0.435 nan 8.370 nan 0.000 0.515 286 F N 0.295 120.191 119.950 -0.090 0.000 2.789 286 F HA 0.014 4.541 4.527 0.001 0.000 0.300 286 F C 2.198 177.950 175.800 -0.080 0.000 1.132 286 F CA -0.141 57.801 58.000 -0.098 0.000 1.404 286 F CB -0.422 38.541 39.000 -0.062 0.000 1.114 286 F HN -0.211 nan 8.300 nan 0.000 0.584 287 V N 0.290 120.258 119.914 0.090 0.000 2.231 287 V HA -0.380 3.741 4.120 0.001 0.000 0.250 287 V C 2.275 178.369 176.094 -0.001 0.000 1.058 287 V CA 2.292 64.615 62.300 0.038 0.000 1.022 287 V CB -0.883 30.952 31.823 0.021 0.000 0.640 287 V HN 0.338 nan 8.190 nan 0.000 0.445 288 Q N -0.608 119.166 119.800 -0.044 0.000 2.084 288 Q HA -0.136 4.205 4.340 0.001 0.000 0.202 288 Q C 2.299 178.262 176.000 -0.062 0.000 0.978 288 Q CA 1.517 57.287 55.803 -0.056 0.000 0.844 288 Q CB -0.299 28.391 28.738 -0.079 0.000 0.898 288 Q HN 0.557 nan 8.270 nan 0.000 0.426 289 L N 0.447 121.608 121.223 -0.103 0.000 2.012 289 L HA -0.214 4.127 4.340 0.001 0.000 0.210 289 L C 2.564 179.423 176.870 -0.018 0.000 1.073 289 L CA 1.342 56.126 54.840 -0.094 0.000 0.748 289 L CB -0.948 40.999 42.059 -0.187 0.000 0.891 289 L HN 0.254 nan 8.230 nan 0.000 0.431 290 V N -1.804 118.123 119.914 0.022 0.000 2.295 290 V HA -0.255 3.866 4.120 0.001 0.000 0.246 290 V C 3.001 179.107 176.094 0.020 0.000 1.049 290 V CA 2.125 64.450 62.300 0.042 0.000 1.024 290 V CB -1.588 30.274 31.823 0.065 0.000 0.648 290 V HN 0.420 nan 8.190 nan 0.000 0.447 291 R N 0.962 121.468 120.500 0.010 0.000 2.127 291 R HA -0.089 4.252 4.340 0.001 0.000 0.238 291 R C 1.875 178.176 176.300 0.002 0.000 1.134 291 R CA 2.027 58.130 56.100 0.005 0.000 0.975 291 R CB -1.915 28.385 30.300 -0.001 0.000 0.865 291 R HN 0.803 nan 8.270 nan 0.000 0.447 292 N N -0.588 118.110 118.700 -0.003 0.000 2.314 292 N HA 0.100 4.841 4.740 0.001 0.000 0.200 292 N C 0.549 176.062 175.510 0.004 0.000 1.135 292 N CA 0.558 53.606 53.050 -0.003 0.000 0.835 292 N CB 0.650 39.129 38.487 -0.012 0.000 0.989 292 N HN 0.622 nan 8.380 nan 0.000 0.478 293 G N 0.978 109.785 108.800 0.011 0.000 2.179 293 G HA2 -0.264 3.697 3.960 0.001 0.000 0.257 293 G HA3 -0.264 3.697 3.960 0.001 0.000 0.257 293 G C 0.127 175.041 174.900 0.023 0.000 1.010 293 G CA 0.014 45.125 45.100 0.018 0.000 0.736 293 G HN 0.174 nan 8.290 nan 0.000 0.513 294 V N 1.359 121.284 119.914 0.018 0.000 2.470 294 V HA 0.222 4.342 4.120 0.001 0.000 0.276 294 V C 1.387 177.503 176.094 0.036 0.000 1.040 294 V CA -0.293 62.021 62.300 0.022 0.000 1.008 294 V CB 0.748 32.574 31.823 0.005 0.000 0.990 294 V HN 0.427 nan 8.190 nan 0.000 0.477 295 R N 3.562 124.087 120.500 0.041 0.000 2.421 295 R HA 0.313 4.654 4.340 0.001 0.000 0.305 295 R C -0.071 176.263 176.300 0.056 0.000 1.039 295 R CA 0.120 56.249 56.100 0.048 0.000 1.003 295 R CB 0.196 30.522 30.300 0.043 0.000 0.959 295 R HN 0.705 nan 8.270 nan 0.000 0.427 296 T N 0.817 115.425 114.554 0.090 0.000 2.893 296 T HA 0.327 4.678 4.350 0.001 0.000 0.291 296 T C -0.614 174.191 174.700 0.174 0.000 1.028 296 T CA -0.698 61.482 62.100 0.132 0.000 0.995 296 T CB 2.054 71.035 68.868 0.188 0.000 1.051 296 T HN 0.441 nan 8.240 nan 0.000 0.470 297 S N 1.464 117.270 115.700 0.176 0.000 2.526 297 S HA 0.740 5.210 4.470 0.001 0.000 0.293 297 S C -1.424 173.317 174.600 0.234 0.000 1.092 297 S CA -0.770 57.526 58.200 0.159 0.000 0.980 297 S CB 0.961 64.210 63.200 0.081 0.000 1.048 297 S HN 0.588 nan 8.310 nan 0.000 0.483 298 L N 5.715 127.066 121.223 0.213 0.000 2.305 298 L HA 0.730 5.071 4.340 0.001 0.000 0.284 298 L C -1.449 175.481 176.870 0.099 0.000 1.013 298 L CA -0.245 54.738 54.840 0.237 0.000 0.819 298 L CB 0.920 43.100 42.059 0.202 0.000 1.227 298 L HN 0.708 nan 8.230 nan 0.000 0.417 299 I N 3.780 124.395 120.570 0.074 0.000 2.498 299 I HA 0.501 4.672 4.170 0.001 0.000 0.290 299 I C -0.407 175.721 176.117 0.019 0.000 1.032 299 I CA -0.371 60.941 61.300 0.020 0.000 1.073 299 I CB 2.161 40.150 38.000 -0.018 0.000 1.251 299 I HN 0.525 nan 8.210 nan 0.000 0.426 300 S N 5.620 121.326 115.700 0.009 0.000 2.566 300 S HA 0.609 5.080 4.470 0.001 0.000 0.298 300 S C -0.536 174.065 174.600 0.002 0.000 1.083 300 S CA -0.604 57.603 58.200 0.012 0.000 0.978 300 S CB 2.046 65.254 63.200 0.012 0.000 1.073 300 S HN 0.279 nan 8.310 nan 0.000 0.491 301 I N 3.256 123.830 120.570 0.005 0.000 2.331 301 I HA 0.342 4.513 4.170 0.001 0.000 0.292 301 I C -2.437 173.689 176.117 0.015 0.000 0.998 301 I CA -2.771 58.530 61.300 0.003 0.000 1.267 301 I CB 0.801 38.798 38.000 -0.004 0.000 1.386 301 I HN 0.258 nan 8.210 nan 0.000 0.476 302 P HA 0.231 nan 4.420 nan 0.000 0.267 302 P C -0.731 176.582 177.300 0.021 0.000 1.205 302 P CA 0.021 63.184 63.100 0.105 0.000 0.765 302 P CB 0.644 32.432 31.700 0.145 0.000 0.828 303 L N 2.811 124.025 121.223 -0.015 0.000 2.431 303 L HA 0.565 4.906 4.340 0.001 0.000 0.266 303 L C -0.687 175.871 176.870 -0.519 0.000 0.978 303 L CA -0.847 53.868 54.840 -0.208 0.000 0.822 303 L CB 2.115 44.100 42.059 -0.124 0.000 1.310 303 L HN 0.151 nan 8.230 nan 0.000 0.409 304 K N 3.480 123.457 120.400 -0.705 0.000 2.156 304 K HA 0.599 4.920 4.320 0.001 0.000 0.254 304 K C -1.485 174.709 176.600 -0.677 0.000 0.950 304 K CA -0.309 55.309 56.287 -1.115 0.000 0.849 304 K CB 0.952 32.613 32.500 -1.399 0.000 1.100 304 K HN 0.553 nan 8.250 nan 0.000 0.434 308 T N -3.697 110.955 114.554 0.163 0.000 2.838 308 T HA 0.330 4.681 4.350 0.001 0.000 0.292 308 T C -2.335 172.420 174.700 0.091 0.000 1.113 308 T CA -2.226 59.956 62.100 0.138 0.000 1.008 308 T CB 2.597 71.534 68.868 0.116 0.000 1.259 308 T HN -0.260 nan 8.240 nan 0.000 0.520 309 P HA 0.113 nan 4.420 nan 0.000 0.229 309 P C 0.764 178.080 177.300 0.027 0.000 1.160 309 P CA 0.316 63.444 63.100 0.046 0.000 0.777 309 P CB -0.055 31.669 31.700 0.040 0.000 0.814 310 V N -3.869 116.057 119.914 0.021 0.000 2.802 310 V HA 0.300 4.421 4.120 0.001 0.000 0.350 310 V C 0.369 176.474 176.094 0.018 0.000 1.233 310 V CA -0.847 61.446 62.300 -0.012 0.000 1.337 310 V CB -0.867 30.948 31.823 -0.014 0.000 1.497 310 V HN -0.051 nan 8.190 nan 0.000 0.616 314 D N 2.459 122.835 120.400 -0.040 0.000 2.329 314 D HA 0.539 5.180 4.640 0.001 0.000 0.232 314 D C -1.834 174.460 176.300 -0.009 0.000 1.088 314 D CA -1.912 52.077 54.000 -0.018 0.000 0.835 314 D CB 2.479 43.277 40.800 -0.004 0.000 1.078 314 D HN 0.414 nan 8.370 nan 0.000 0.495 315 P HA -0.086 nan 4.420 nan 0.000 0.221 315 P C 1.084 178.395 177.300 0.018 0.000 1.145 315 P CA 0.918 64.021 63.100 0.005 0.000 0.795 315 P CB 0.337 32.042 31.700 0.009 0.000 0.775 316 R N -0.512 120.000 120.500 0.019 0.000 2.115 316 R HA -0.081 4.259 4.340 0.001 0.000 0.230 316 R C 1.756 178.071 176.300 0.025 0.000 1.111 316 R CA 1.196 57.312 56.100 0.027 0.000 0.976 316 R CB -0.681 29.633 30.300 0.023 0.000 0.870 316 R HN 0.212 nan 8.270 nan 0.000 0.445 317 D N 0.283 120.693 120.400 0.016 0.000 2.144 317 D HA -0.110 4.531 4.640 0.001 0.000 0.199 317 D C 1.966 178.271 176.300 0.009 0.000 0.984 317 D CA 0.970 54.977 54.000 0.012 0.000 0.834 317 D CB -0.115 40.690 40.800 0.007 0.000 0.955 317 D HN -0.009 nan 8.370 nan 0.000 0.465 318 V N 1.533 121.451 119.914 0.007 0.000 2.295 318 V HA -0.237 3.884 4.120 0.001 0.000 0.246 318 V C 2.300 178.404 176.094 0.018 0.000 1.049 318 V CA 1.739 64.040 62.300 0.000 0.000 1.024 318 V CB -0.419 31.401 31.823 -0.004 0.000 0.648 318 V HN 0.226 nan 8.190 nan 0.000 0.447 319 E N -0.475 119.757 120.200 0.054 0.000 2.072 319 E HA -0.203 4.148 4.350 0.001 0.000 0.191 319 E C 2.260 178.956 176.600 0.160 0.000 0.985 319 E CA 1.110 57.594 56.400 0.141 0.000 0.801 319 E CB -0.181 29.616 29.700 0.161 0.000 0.750 319 E HN 0.565 nan 8.360 nan 0.000 0.452 320 E N 0.848 121.094 120.200 0.076 0.000 2.110 320 E HA -0.171 4.180 4.350 0.001 0.000 0.193 320 E C 2.178 178.795 176.600 0.029 0.000 0.988 320 E CA 0.527 56.955 56.400 0.047 0.000 0.804 320 E CB -0.193 29.521 29.700 0.023 0.000 0.745 320 E HN 0.151 nan 8.360 nan 0.000 0.458 321 L N 1.082 122.309 121.223 0.007 0.000 2.017 321 L HA -0.085 4.256 4.340 0.001 0.000 0.208 321 L C 2.212 179.048 176.870 -0.057 0.000 1.073 321 L CA 2.138 56.954 54.840 -0.040 0.000 0.745 321 L CB -0.940 41.084 42.059 -0.058 0.000 0.894 321 L HN 0.025 nan 8.230 nan 0.000 0.432 322 A N -0.471 122.343 122.820 -0.010 0.000 1.933 322 A HA -0.250 4.071 4.320 0.001 0.000 0.218 322 A C 2.533 180.227 177.584 0.183 0.000 1.175 322 A CA 1.757 53.786 52.037 -0.013 0.000 0.628 322 A CB -0.644 18.295 19.000 -0.102 0.000 0.814 322 A HN 0.522 nan 8.150 nan 0.000 0.444 323 R N -0.830 119.835 120.500 0.275 0.000 2.073 323 R HA -0.146 4.194 4.340 0.001 0.000 0.234 323 R C 2.060 178.355 176.300 -0.009 0.000 1.134 323 R CA 1.760 57.935 56.100 0.124 0.000 0.952 323 R CB -0.440 29.839 30.300 -0.035 0.000 0.850 323 R HN 0.433 nan 8.270 nan 0.000 0.433 324 L N 1.075 122.275 121.223 -0.039 0.000 2.042 324 L HA -0.138 4.203 4.340 0.001 0.000 0.210 324 L C 1.968 178.758 176.870 -0.133 0.000 1.076 324 L CA 1.698 56.485 54.840 -0.087 0.000 0.749 324 L CB -0.433 41.583 42.059 -0.072 0.000 0.893 324 L HN 0.266 nan 8.230 nan 0.000 0.432 325 L N -0.719 120.392 121.223 -0.188 0.000 2.083 325 L HA -0.179 4.161 4.340 0.001 0.000 0.209 325 L C 2.698 179.475 176.870 -0.156 0.000 1.083 325 L CA 1.377 56.023 54.840 -0.324 0.000 0.752 325 L CB -0.927 40.682 42.059 -0.750 0.000 0.899 325 L HN 0.528 nan 8.230 nan 0.000 0.433 326 S N 0.336 115.986 115.700 -0.084 0.000 2.368 326 S HA -0.166 4.304 4.470 0.001 0.000 0.225 326 S C 1.952 176.442 174.600 -0.184 0.000 1.030 326 S CA 0.947 59.122 58.200 -0.042 0.000 0.999 326 S CB -0.729 62.543 63.200 0.120 0.000 0.844 326 S HN 0.366 nan 8.310 nan 0.000 0.459 327 L N 1.038 122.119 121.223 -0.236 0.000 2.141 327 L HA -0.016 4.325 4.340 0.001 0.000 0.209 327 L C 2.691 179.433 176.870 -0.214 0.000 1.094 327 L CA 0.679 55.309 54.840 -0.351 0.000 0.763 327 L CB -0.603 41.191 42.059 -0.443 0.000 0.908 327 L HN 0.236 nan 8.230 nan 0.000 0.437 328 V N 0.126 119.956 119.914 -0.141 0.000 2.343 328 V HA -0.276 3.845 4.120 0.001 0.000 0.247 328 V C 2.720 178.736 176.094 -0.129 0.000 1.051 328 V CA 1.808 64.042 62.300 -0.110 0.000 1.036 328 V CB -0.791 30.979 31.823 -0.089 0.000 0.654 328 V HN 0.489 nan 8.190 nan 0.000 0.451 329 A N -0.592 122.177 122.820 -0.084 0.000 2.070 329 A HA -0.107 4.214 4.320 0.001 0.000 0.220 329 A C 2.280 179.955 177.584 0.151 0.000 1.159 329 A CA 1.860 53.877 52.037 -0.033 0.000 0.656 329 A CB -0.370 18.577 19.000 -0.089 0.000 0.800 329 A HN 0.380 nan 8.150 nan 0.000 0.453 330 V N -0.733 119.177 119.914 -0.008 0.000 2.500 330 V HA -0.076 4.044 4.120 0.001 0.000 0.243 330 V C 1.993 178.134 176.094 0.078 0.000 1.039 330 V CA 1.806 64.101 62.300 -0.008 0.000 1.053 330 V CB -0.403 31.211 31.823 -0.348 0.000 0.695 330 V HN 0.613 nan 8.190 nan 0.000 0.463 331 E N -0.382 119.849 120.200 0.051 0.000 2.473 331 E HA 0.163 4.514 4.350 0.001 0.000 0.204 331 E C 0.448 177.146 176.600 0.163 0.000 0.994 331 E CA -0.388 56.071 56.400 0.098 0.000 0.945 331 E CB 0.638 30.374 29.700 0.059 0.000 0.990 331 E HN 0.318 nan 8.360 nan 0.000 0.493 332 L N 2.690 124.026 121.223 0.189 0.000 2.540 332 L HA -0.053 4.288 4.340 0.001 0.000 0.276 332 L C 0.035 177.171 176.870 0.443 0.000 1.212 332 L CA 0.939 55.907 54.840 0.212 0.000 0.893 332 L CB -0.422 41.602 42.059 -0.058 0.000 1.138 332 L HN 0.113 nan 8.230 nan 0.000 0.491 333 E N 0.000 120.365 120.200 0.275 0.000 2.725 333 E HA 0.000 4.351 4.350 0.001 0.000 0.291 333 E CA 0.000 56.539 56.400 0.232 0.000 0.976 333 E CB 0.000 29.901 29.700 0.335 0.000 0.812 333 E HN 0.000 nan 8.360 nan 0.000 0.440