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 2zul_1_A DATA FIRST_RESID 3 DATA SEQUENCE LTREAYHRLT PLPHPGGRLF IKPGARGYRD PVHDLLQKTV EPFGERALDL DATA SEQUENCE NPGVGWGSLP LEGRMAVERL ETSRAAFRCL TASGLQARLA LPWEAAAGAY DATA SEQUENCE DLVVLALPAG RGTAYVQASL VAAARALRMG GRLYLAGDKN KGFERYFKEA DATA SEQUENCE RALLGYGVVV RREGPYRVAL LEKEKEAPPL PSLWRAFSAR ILGAEYTFHH DATA SEQUENCE LPGVFSAGKV DPASLLLLEA LQERLGPEGV RGRQVLDLGA GYGALTLPLA DATA SEQUENCE RMGAEVVGVE DDLASVLSLQ KGLEANALKA QALHSDVDEA LTEEARFDII DATA SEQUENCE VTNPPFHVGG AVILDVAQAF VNVAAARLRP GGVFFLVSNP FLKYEPLLEE DATA SEQUENCE KFGAFQTLKV AEYKVLFAEK RG 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.881 176.870 0.019 0.000 1.165 3 L CA 0.000 54.852 54.840 0.021 0.000 0.813 3 L CB 0.000 42.093 42.059 0.057 0.000 0.961 4 T N -2.320 112.248 114.554 0.023 0.000 2.891 4 T HA 0.443 4.794 4.350 0.003 0.000 0.294 4 T C 0.985 175.711 174.700 0.044 0.000 1.065 4 T CA -0.458 61.653 62.100 0.018 0.000 0.936 4 T CB 1.348 70.224 68.868 0.014 0.000 1.415 4 T HN 0.644 nan 8.240 nan 0.000 0.572 5 R N -0.056 120.471 120.500 0.047 0.000 2.057 5 R HA 0.002 4.344 4.340 0.003 0.000 0.229 5 R C 2.607 179.001 176.300 0.158 0.000 1.136 5 R CA 0.993 57.150 56.100 0.095 0.000 0.952 5 R CB -0.380 29.979 30.300 0.098 0.000 0.848 5 R HN 0.727 nan 8.270 nan 0.000 0.430 6 E N 1.136 121.406 120.200 0.117 0.000 2.110 6 E HA -0.161 4.191 4.350 0.003 0.000 0.193 6 E C 1.740 178.392 176.600 0.086 0.000 0.988 6 E CA 1.386 57.853 56.400 0.112 0.000 0.804 6 E CB 0.054 29.791 29.700 0.061 0.000 0.745 6 E HN 0.302 nan 8.360 nan 0.000 0.458 7 A N 0.218 123.073 122.820 0.058 0.000 1.898 7 A HA -0.194 4.128 4.320 0.003 0.000 0.216 7 A C 2.145 179.730 177.584 0.002 0.000 1.181 7 A CA 1.418 53.470 52.037 0.025 0.000 0.620 7 A CB -0.971 18.041 19.000 0.021 0.000 0.819 7 A HN 0.478 nan 8.150 nan 0.000 0.442 8 Y N 0.002 120.254 120.300 -0.080 0.000 2.181 8 Y HA -0.221 4.331 4.550 0.003 0.000 0.288 8 Y C 2.316 178.115 175.900 -0.167 0.000 1.146 8 Y CA 2.220 60.226 58.100 -0.156 0.000 1.164 8 Y CB -0.221 38.082 38.460 -0.261 0.000 0.982 8 Y HN 0.474 nan 8.280 nan 0.000 0.515 9 H N 0.244 119.318 119.070 0.006 0.000 2.551 9 H HA 0.119 4.677 4.556 0.003 0.000 0.266 9 H C 0.636 175.909 175.328 -0.091 0.000 0.977 9 H CA 0.367 56.387 56.048 -0.047 0.000 1.163 9 H CB -0.185 29.623 29.762 0.077 0.000 1.381 9 H HN 0.224 nan 8.280 nan 0.000 0.581 10 R N 1.207 121.711 120.500 0.008 0.000 2.491 10 R HA 0.158 4.499 4.340 0.003 0.000 0.283 10 R C -0.598 175.683 176.300 -0.032 0.000 1.072 10 R CA -0.201 55.897 56.100 -0.003 0.000 1.048 10 R CB 0.329 30.626 30.300 -0.004 0.000 0.983 10 R HN 0.059 nan 8.270 nan 0.000 0.450 11 L N 4.128 125.359 121.223 0.012 0.000 2.272 11 L HA 0.340 4.681 4.340 0.003 0.000 0.289 11 L C -0.308 176.675 176.870 0.187 0.000 1.032 11 L CA -0.557 54.330 54.840 0.077 0.000 0.810 11 L CB 1.909 43.987 42.059 0.031 0.000 1.205 11 L HN 0.696 nan 8.230 nan 0.000 0.422 12 T N 4.194 118.801 114.554 0.089 0.000 2.792 12 T HA 0.392 4.744 4.350 0.003 0.000 0.280 12 T C -2.553 171.989 174.700 -0.263 0.000 0.990 12 T CA -1.299 60.774 62.100 -0.045 0.000 0.960 12 T CB 1.776 70.575 68.868 -0.114 0.000 0.939 12 T HN 0.359 nan 8.240 nan 0.000 0.439 13 P HA 0.403 nan 4.420 nan 0.000 0.287 13 P C -0.937 176.073 177.300 -0.483 0.000 1.281 13 P CA -0.497 62.070 63.100 -0.888 0.000 0.781 13 P CB 1.015 31.965 31.700 -1.251 0.000 0.903 14 L N 5.834 126.803 121.223 -0.424 0.000 2.325 14 L HA 0.522 4.863 4.340 0.003 0.000 0.278 14 L C -1.949 174.807 176.870 -0.189 0.000 1.023 14 L CA -2.521 52.152 54.840 -0.278 0.000 0.811 14 L CB 2.328 44.198 42.059 -0.315 0.000 1.249 14 L HN 0.204 nan 8.230 nan 0.000 0.431 15 P HA 0.297 nan 4.420 nan 0.000 0.281 15 P C -1.661 175.633 177.300 -0.011 0.000 1.249 15 P CA -0.108 62.910 63.100 -0.135 0.000 0.810 15 P CB 1.208 32.842 31.700 -0.110 0.000 1.008 16 H N -1.258 117.828 119.070 0.028 0.000 3.037 16 H HA 0.572 5.130 4.556 0.003 0.000 0.355 16 H C -2.950 172.437 175.328 0.098 0.000 1.263 16 H CA -2.568 53.542 56.048 0.104 0.000 1.129 16 H CB -0.487 29.433 29.762 0.264 0.000 1.861 16 H HN 0.108 nan 8.280 nan 0.000 0.546 17 P HA 0.128 nan 4.420 nan 0.000 0.258 17 P C 0.935 178.357 177.300 0.202 0.000 1.187 17 P CA 2.199 65.405 63.100 0.177 0.000 0.767 17 P CB 0.329 32.121 31.700 0.153 0.000 0.770 18 G N 1.977 110.820 108.800 0.070 0.000 2.175 18 G HA2 -0.006 3.956 3.960 0.003 0.000 0.244 18 G HA3 -0.006 3.956 3.960 0.003 0.000 0.244 18 G C 0.404 175.299 174.900 -0.009 0.000 0.982 18 G CA -0.148 44.986 45.100 0.056 0.000 0.641 18 G HN 0.975 nan 8.290 nan 0.000 0.527 19 G N -0.844 107.816 108.800 -0.235 0.000 2.450 19 G HA2 0.813 4.775 3.960 0.003 0.000 0.273 19 G HA3 0.813 4.775 3.960 0.003 0.000 0.273 19 G C -0.926 173.534 174.900 -0.734 0.000 1.221 19 G CA 0.406 45.281 45.100 -0.376 0.000 0.900 19 G HN 1.309 nan 8.290 nan 0.000 0.483 20 R N -1.525 118.666 120.500 -0.515 0.000 2.739 20 R HA 0.829 5.171 4.340 0.003 0.000 0.271 20 R C -2.265 174.005 176.300 -0.049 0.000 1.010 20 R CA -0.886 54.996 56.100 -0.363 0.000 0.897 20 R CB 1.940 32.046 30.300 -0.322 0.000 1.236 20 R HN 0.830 nan 8.270 nan 0.000 0.466 21 L N 1.741 122.933 121.223 -0.051 0.000 2.438 21 L HA 0.522 4.863 4.340 0.003 0.000 0.270 21 L C -1.574 175.170 176.870 -0.210 0.000 0.972 21 L CA -0.488 54.380 54.840 0.047 0.000 0.831 21 L CB 1.941 44.155 42.059 0.259 0.000 1.273 21 L HN 0.644 nan 8.230 nan 0.000 0.405 22 F N 5.614 125.512 119.950 -0.086 0.000 2.412 22 F HA 0.579 5.108 4.527 0.003 0.000 0.348 22 F C 0.656 176.333 175.800 -0.206 0.000 1.102 22 F CA 0.071 57.982 58.000 -0.148 0.000 1.196 22 F CB 0.853 39.787 39.000 -0.110 0.000 1.144 22 F HN 0.407 nan 8.300 nan 0.000 0.541 23 I N 0.713 121.216 120.570 -0.110 0.000 3.174 23 I HA 0.780 4.952 4.170 0.003 0.000 0.313 23 I C -1.442 174.594 176.117 -0.135 0.000 1.155 23 I CA -1.178 60.005 61.300 -0.194 0.000 0.977 23 I CB 2.772 40.497 38.000 -0.458 0.000 1.248 23 I HN 0.648 nan 8.210 nan 0.000 0.453 24 K N 1.459 121.770 120.400 -0.148 0.000 2.607 24 K HA 0.617 4.938 4.320 0.003 0.000 0.287 24 K C -3.312 173.160 176.600 -0.214 0.000 0.996 24 K CA -1.543 54.636 56.287 -0.180 0.000 0.876 24 K CB 1.391 33.779 32.500 -0.186 0.000 1.496 24 K HN 0.309 nan 8.250 nan 0.000 0.415 25 P HA 0.092 nan 4.420 nan 0.000 0.266 25 P C 0.476 177.625 177.300 -0.251 0.000 1.195 25 P CA 1.494 64.445 63.100 -0.249 0.000 0.768 25 P CB 0.696 32.231 31.700 -0.276 0.000 0.838 26 G N 1.391 110.165 108.800 -0.043 0.000 2.199 26 G HA2 -0.148 3.814 3.960 0.003 0.000 0.254 26 G HA3 -0.148 3.814 3.960 0.003 0.000 0.254 26 G C 0.283 175.190 174.900 0.012 0.000 0.982 26 G CA 0.006 45.133 45.100 0.045 0.000 0.632 26 G HN 0.865 nan 8.290 nan 0.000 0.529 27 A N 0.873 123.673 122.820 -0.034 0.000 2.271 27 A HA 0.770 5.092 4.320 0.003 0.000 0.317 27 A C 0.687 178.258 177.584 -0.022 0.000 1.245 27 A CA 0.263 52.289 52.037 -0.018 0.000 0.857 27 A CB 0.383 19.363 19.000 -0.034 0.000 1.175 27 A HN 1.060 nan 8.150 nan 0.000 0.512 28 R N 1.665 122.156 120.500 -0.015 0.000 2.637 28 R HA 0.632 4.973 4.340 0.003 0.000 0.269 28 R C 0.731 176.959 176.300 -0.120 0.000 1.089 28 R CA 0.334 56.405 56.100 -0.049 0.000 1.177 28 R CB 0.384 30.671 30.300 -0.022 0.000 1.091 28 R HN 1.618 nan 8.270 nan 0.000 0.540 29 G N -0.433 108.211 108.800 -0.259 0.000 2.284 29 G HA2 -0.242 3.719 3.960 0.003 0.000 0.201 29 G HA3 -0.242 3.719 3.960 0.003 0.000 0.201 29 G C -0.818 173.977 174.900 -0.175 0.000 0.998 29 G CA -0.123 44.701 45.100 -0.461 0.000 0.651 29 G HN 0.579 nan 8.290 nan 0.000 0.489 30 Y N 1.702 121.871 120.300 -0.218 0.000 2.387 30 Y HA 0.606 5.158 4.550 0.003 0.000 0.336 30 Y C 1.231 177.015 175.900 -0.192 0.000 1.067 30 Y CA -0.604 57.362 58.100 -0.224 0.000 1.114 30 Y CB 0.993 39.323 38.460 -0.217 0.000 1.208 30 Y HN 0.226 nan 8.280 nan 0.000 0.458 31 R N 1.492 121.739 120.500 -0.422 0.000 3.770 31 R HA -0.271 4.070 4.340 0.003 0.000 0.305 31 R C -1.344 174.855 176.300 -0.170 0.000 1.184 31 R CA 0.974 56.916 56.100 -0.264 0.000 0.823 31 R CB -2.213 28.014 30.300 -0.121 0.000 1.285 31 R HN 0.795 nan 8.270 nan 0.000 0.499 32 D N -0.149 120.158 120.400 -0.155 0.000 2.329 32 D HA 0.345 4.987 4.640 0.003 0.000 0.232 32 D C -1.407 174.819 176.300 -0.123 0.000 1.088 32 D CA -2.277 51.672 54.000 -0.086 0.000 0.835 32 D CB 1.287 42.093 40.800 0.009 0.000 1.078 32 D HN -0.186 nan 8.370 nan 0.000 0.495 33 P HA -0.218 nan 4.420 nan 0.000 0.217 33 P C 1.282 178.291 177.300 -0.484 0.000 1.151 33 P CA 0.656 63.398 63.100 -0.597 0.000 0.849 33 P CB 0.279 31.128 31.700 -1.419 0.000 0.787 34 V N -1.198 118.520 119.914 -0.328 0.000 2.307 34 V HA -0.254 3.868 4.120 0.003 0.000 0.245 34 V C 2.162 178.199 176.094 -0.095 0.000 1.045 34 V CA 2.041 64.256 62.300 -0.140 0.000 1.024 34 V CB -1.461 30.340 31.823 -0.036 0.000 0.651 34 V HN 0.152 nan 8.190 nan 0.000 0.449 35 H N -0.025 119.020 119.070 -0.043 0.000 2.387 35 H HA -0.117 4.441 4.556 0.003 0.000 0.299 35 H C 2.178 177.524 175.328 0.030 0.000 1.090 35 H CA 1.629 57.688 56.048 0.019 0.000 1.332 35 H CB -0.239 29.582 29.762 0.099 0.000 1.386 35 H HN 0.391 nan 8.280 nan 0.000 0.516 36 D N 0.020 120.520 120.400 0.166 0.000 2.117 36 D HA -0.124 4.517 4.640 0.003 0.000 0.197 36 D C 2.169 178.466 176.300 -0.005 0.000 0.987 36 D CA 0.589 54.686 54.000 0.163 0.000 0.829 36 D CB -0.357 40.484 40.800 0.068 0.000 0.961 36 D HN 0.188 nan 8.370 nan 0.000 0.460 37 L N 0.628 121.813 121.223 -0.063 0.000 2.083 37 L HA -0.071 4.271 4.340 0.003 0.000 0.209 37 L C 2.221 179.014 176.870 -0.128 0.000 1.083 37 L CA 1.140 55.930 54.840 -0.083 0.000 0.752 37 L CB -0.458 41.559 42.059 -0.070 0.000 0.899 37 L HN 0.031 nan 8.230 nan 0.000 0.433 38 L N -0.949 120.186 121.223 -0.147 0.000 2.017 38 L HA -0.237 4.105 4.340 0.003 0.000 0.208 38 L C 2.639 179.332 176.870 -0.296 0.000 1.073 38 L CA 1.490 56.204 54.840 -0.209 0.000 0.745 38 L CB -0.594 41.349 42.059 -0.193 0.000 0.894 38 L HN 0.428 nan 8.230 nan 0.000 0.432 39 Q N 0.793 120.384 119.800 -0.349 0.000 2.234 39 Q HA -0.234 4.108 4.340 0.003 0.000 0.206 39 Q C 1.772 177.531 176.000 -0.400 0.000 0.980 39 Q CA 1.604 57.077 55.803 -0.551 0.000 0.869 39 Q CB 0.088 28.188 28.738 -1.064 0.000 0.912 39 Q HN 0.497 nan 8.270 nan 0.000 0.436 40 K N -1.237 119.007 120.400 -0.259 0.000 2.400 40 K HA 0.064 4.386 4.320 0.003 0.000 0.194 40 K C 1.475 177.973 176.600 -0.170 0.000 1.033 40 K CA 0.874 57.055 56.287 -0.177 0.000 1.021 40 K CB 0.546 32.984 32.500 -0.103 0.000 0.808 40 K HN 0.095 nan 8.250 nan 0.000 0.505 41 T N 0.417 114.837 114.554 -0.224 0.000 3.056 41 T HA 0.031 4.382 4.350 0.003 0.000 0.243 41 T C 0.681 175.144 174.700 -0.395 0.000 0.995 41 T CA -0.078 61.885 62.100 -0.228 0.000 1.091 41 T CB 0.205 68.966 68.868 -0.179 0.000 0.990 41 T HN 0.061 nan 8.240 nan 0.000 0.464 42 V N 2.974 122.523 119.914 -0.608 0.000 2.763 42 V HA 0.418 4.540 4.120 0.003 0.000 0.306 42 V C -0.423 175.436 176.094 -0.392 0.000 1.059 42 V CA -0.727 61.049 62.300 -0.873 0.000 1.138 42 V CB 0.127 31.540 31.823 -0.683 0.000 0.940 42 V HN 0.630 nan 8.190 nan 0.000 0.489 43 E N 3.726 123.804 120.200 -0.203 0.000 2.383 43 E HA 0.676 5.028 4.350 0.003 0.000 0.275 43 E C -3.181 173.503 176.600 0.140 0.000 0.918 43 E CA -2.573 53.829 56.400 0.003 0.000 0.764 43 E CB 1.766 31.497 29.700 0.052 0.000 1.252 43 E HN 0.467 nan 8.360 nan 0.000 0.449 44 P HA 0.101 nan 4.420 nan 0.000 0.267 44 P C -1.388 176.076 177.300 0.273 0.000 1.200 44 P CA 0.109 63.304 63.100 0.158 0.000 0.772 44 P CB 0.137 31.890 31.700 0.088 0.000 0.855 45 F N 1.915 121.916 119.950 0.086 0.000 2.722 45 F HA 0.505 5.033 4.527 0.002 0.000 0.336 45 F C 0.279 176.116 175.800 0.063 0.000 1.216 45 F CA 0.680 58.723 58.000 0.071 0.000 1.065 45 F CB 0.963 40.009 39.000 0.077 0.000 1.325 45 F HN 0.722 nan 8.300 nan 0.000 0.524 46 G N 5.376 113.820 108.800 -0.593 0.000 2.584 46 G HA2 -0.227 3.734 3.960 0.003 0.000 0.229 46 G HA3 -0.227 3.734 3.960 0.003 0.000 0.229 46 G C 0.199 174.998 174.900 -0.169 0.000 1.320 46 G CA 0.321 45.143 45.100 -0.463 0.000 0.891 46 G HN 0.733 nan 8.290 nan 0.000 0.573 47 E N -0.045 120.091 120.200 -0.107 0.000 2.453 47 E HA 0.188 4.539 4.350 0.003 0.000 0.211 47 E C 0.913 177.521 176.600 0.014 0.000 0.897 47 E CA 0.092 56.468 56.400 -0.040 0.000 1.063 47 E CB 0.680 30.351 29.700 -0.049 0.000 1.080 47 E HN 0.447 nan 8.360 nan 0.000 0.512 48 R N 1.028 121.552 120.500 0.041 0.000 2.360 48 R HA 0.639 4.981 4.340 0.003 0.000 0.318 48 R C -1.011 175.450 176.300 0.268 0.000 0.950 48 R CA -0.385 55.797 56.100 0.137 0.000 0.837 48 R CB 1.963 32.296 30.300 0.055 0.000 1.165 48 R HN -0.039 nan 8.270 nan 0.000 0.458 49 A N 2.965 125.935 122.820 0.250 0.000 2.337 49 A HA 0.771 5.093 4.320 0.003 0.000 0.331 49 A C -1.425 176.210 177.584 0.085 0.000 1.137 49 A CA -0.688 51.462 52.037 0.188 0.000 0.807 49 A CB 1.328 20.404 19.000 0.127 0.000 1.250 49 A HN 0.549 nan 8.150 nan 0.000 0.468 50 L N 1.166 122.335 121.223 -0.090 0.000 2.438 50 L HA 0.562 4.903 4.340 0.003 0.000 0.270 50 L C -1.504 175.286 176.870 -0.134 0.000 0.972 50 L CA -0.242 54.418 54.840 -0.301 0.000 0.831 50 L CB 2.075 43.625 42.059 -0.847 0.000 1.273 50 L HN 0.667 nan 8.230 nan 0.000 0.405 51 D N 4.774 125.127 120.400 -0.079 0.000 2.392 51 D HA 0.278 4.920 4.640 0.003 0.000 0.228 51 D C 0.374 176.662 176.300 -0.020 0.000 1.074 51 D CA -0.125 53.864 54.000 -0.018 0.000 0.838 51 D CB 1.279 42.092 40.800 0.021 0.000 1.067 51 D HN 0.699 nan 8.370 nan 0.000 0.511 52 L N 3.387 124.602 121.223 -0.013 0.000 2.611 52 L HA 0.187 4.529 4.340 0.003 0.000 0.229 52 L C 0.681 177.579 176.870 0.047 0.000 1.137 52 L CA 0.090 54.926 54.840 -0.007 0.000 0.901 52 L CB -0.096 41.952 42.059 -0.018 0.000 1.098 52 L HN 0.226 nan 8.230 nan 0.000 0.456 53 N N -0.727 118.021 118.700 0.080 0.000 2.725 53 N HA 0.127 4.869 4.740 0.003 0.000 0.225 53 N C -2.206 173.422 175.510 0.197 0.000 1.465 53 N CA -0.853 52.282 53.050 0.142 0.000 0.830 53 N CB 0.714 39.289 38.487 0.146 0.000 1.460 53 N HN -0.231 nan 8.380 nan 0.000 0.538 54 P HA 0.053 nan 4.420 nan 0.000 0.214 54 P C 0.968 178.382 177.300 0.189 0.000 1.163 54 P CA 1.976 65.177 63.100 0.170 0.000 0.883 54 P CB 0.055 31.832 31.700 0.128 0.000 0.788 55 G N -0.994 107.892 108.800 0.143 0.000 2.550 55 G HA2 -0.307 3.655 3.960 0.003 0.000 0.277 55 G HA3 -0.307 3.655 3.960 0.003 0.000 0.277 55 G C 0.955 175.898 174.900 0.072 0.000 1.190 55 G CA 0.724 45.861 45.100 0.063 0.000 0.971 55 G HN 0.458 nan 8.290 nan 0.000 0.559 56 V N -1.003 118.945 119.914 0.057 0.000 3.510 56 V HA 0.468 4.589 4.120 0.003 0.000 0.270 56 V C 2.136 178.323 176.094 0.155 0.000 1.201 56 V CA 1.544 63.901 62.300 0.095 0.000 1.166 56 V CB -0.549 31.331 31.823 0.094 0.000 0.825 56 V HN 2.930 nan 8.190 nan 0.000 0.484 57 G N -1.034 107.869 108.800 0.172 0.000 2.132 57 G HA2 -0.307 3.655 3.960 0.003 0.000 0.228 57 G HA3 -0.307 3.655 3.960 0.003 0.000 0.228 57 G C 0.447 175.488 174.900 0.235 0.000 1.000 57 G CA 0.333 45.542 45.100 0.181 0.000 0.693 57 G HN 0.655 nan 8.290 nan 0.000 0.515 58 W N 0.596 121.933 121.300 0.061 0.000 2.453 58 W HA 0.029 4.690 4.660 0.003 0.000 0.289 58 W C 1.885 178.401 176.519 -0.005 0.000 1.215 58 W CA 1.323 58.671 57.345 0.005 0.000 1.297 58 W CB -0.387 29.056 29.460 -0.030 0.000 1.113 58 W HN 0.268 nan 8.180 nan 0.000 0.551 59 G N 0.613 109.471 108.800 0.096 0.000 2.440 59 G HA2 -0.335 3.626 3.960 0.003 0.000 0.218 59 G HA3 -0.335 3.626 3.960 0.003 0.000 0.218 59 G C 1.418 176.199 174.900 -0.198 0.000 1.154 59 G CA 1.627 46.676 45.100 -0.085 0.000 0.767 59 G HN 0.342 nan 8.290 nan 0.000 0.552 60 S N -0.434 115.202 115.700 -0.108 0.000 2.557 60 S HA 0.245 4.717 4.470 0.003 0.000 0.223 60 S C 1.854 176.372 174.600 -0.137 0.000 0.969 60 S CA 0.021 58.151 58.200 -0.117 0.000 0.927 60 S CB 0.328 63.508 63.200 -0.034 0.000 0.806 60 S HN 0.098 nan 8.310 nan 0.000 0.489 61 L N 2.664 123.768 121.223 -0.198 0.000 2.129 61 L HA 0.108 4.450 4.340 0.003 0.000 0.212 61 L C -1.229 175.520 176.870 -0.201 0.000 1.087 61 L CA 1.549 56.276 54.840 -0.189 0.000 0.757 61 L CB -1.299 40.598 42.059 -0.271 0.000 0.896 61 L HN 0.181 nan 8.230 nan 0.000 0.434 62 P HA -0.139 nan 4.420 nan 0.000 0.223 62 P C 1.738 178.973 177.300 -0.109 0.000 1.144 62 P CA 1.235 64.214 63.100 -0.203 0.000 0.783 62 P CB 0.023 31.575 31.700 -0.247 0.000 0.771 63 L N -1.556 119.615 121.223 -0.086 0.000 2.270 63 L HA 0.041 4.383 4.340 0.003 0.000 0.210 63 L C 1.140 178.006 176.870 -0.006 0.000 1.104 63 L CA 0.106 54.930 54.840 -0.028 0.000 0.804 63 L CB -0.709 41.347 42.059 -0.005 0.000 0.937 63 L HN -0.078 nan 8.230 nan 0.000 0.450 64 E N 0.957 121.150 120.200 -0.011 0.000 2.558 64 E HA 0.149 4.501 4.350 0.003 0.000 0.255 64 E C 1.096 177.707 176.600 0.019 0.000 0.968 64 E CA 1.027 57.435 56.400 0.013 0.000 0.939 64 E CB 0.285 29.998 29.700 0.022 0.000 0.921 64 E HN 0.331 nan 8.360 nan 0.000 0.477 65 G N 4.863 113.678 108.800 0.026 0.000 2.225 65 G HA2 -0.358 3.604 3.960 0.003 0.000 0.254 65 G HA3 -0.358 3.604 3.960 0.003 0.000 0.254 65 G C 1.075 175.987 174.900 0.020 0.000 0.988 65 G CA 0.537 45.653 45.100 0.025 0.000 0.625 65 G HN 0.571 nan 8.290 nan 0.000 0.527 66 R N -0.280 120.231 120.500 0.018 0.000 2.307 66 R HA 0.508 4.850 4.340 0.003 0.000 0.200 66 R C 1.197 177.510 176.300 0.022 0.000 0.893 66 R CA 1.189 57.299 56.100 0.018 0.000 1.042 66 R CB 0.262 30.570 30.300 0.014 0.000 1.059 66 R HN 0.687 nan 8.270 nan 0.000 0.530 67 M N -2.947 116.670 119.600 0.028 0.000 2.833 67 M HA 0.546 5.027 4.480 0.003 0.000 0.270 67 M C -1.738 174.587 176.300 0.043 0.000 1.209 67 M CA -1.110 54.209 55.300 0.032 0.000 0.826 67 M CB 1.542 34.166 32.600 0.041 0.000 1.657 67 M HN -0.172 nan 8.290 nan 0.000 0.492 68 A N 1.416 124.266 122.820 0.051 0.000 2.450 68 A HA 0.618 4.940 4.320 0.003 0.000 0.255 68 A C -0.527 177.113 177.584 0.092 0.000 1.096 68 A CA -0.410 51.667 52.037 0.066 0.000 0.778 68 A CB 0.086 19.125 19.000 0.066 0.000 1.031 68 A HN 0.658 nan 8.150 nan 0.000 0.494 69 V N 2.983 122.948 119.914 0.085 0.000 2.483 69 V HA 0.405 4.526 4.120 0.003 0.000 0.297 69 V C -0.306 175.841 176.094 0.087 0.000 1.027 69 V CA -0.565 61.785 62.300 0.084 0.000 0.855 69 V CB 1.486 33.343 31.823 0.056 0.000 0.995 69 V HN 1.017 nan 8.190 nan 0.000 0.424 70 E N 4.310 124.564 120.200 0.091 0.000 2.204 70 E HA 0.647 4.999 4.350 0.003 0.000 0.276 70 E C -0.662 175.952 176.600 0.024 0.000 0.974 70 E CA -0.606 55.841 56.400 0.078 0.000 0.815 70 E CB 1.351 31.123 29.700 0.121 0.000 1.119 70 E HN 0.574 nan 8.360 nan 0.000 0.393 71 R N 3.839 124.368 120.500 0.049 0.000 2.483 71 R HA 0.412 4.754 4.340 0.003 0.000 0.303 71 R C -0.813 175.527 176.300 0.066 0.000 0.987 71 R CA -0.568 55.563 56.100 0.051 0.000 0.881 71 R CB 1.088 31.436 30.300 0.079 0.000 1.177 71 R HN 0.438 nan 8.270 nan 0.000 0.451 72 L N 2.895 124.134 121.223 0.027 0.000 2.264 72 L HA 0.389 4.731 4.340 0.003 0.000 0.287 72 L C -0.051 176.844 176.870 0.042 0.000 1.039 72 L CA -0.622 54.226 54.840 0.013 0.000 0.829 72 L CB 1.034 43.060 42.059 -0.056 0.000 1.211 72 L HN 0.472 nan 8.230 nan 0.000 0.427 73 E N 1.500 121.755 120.200 0.091 0.000 2.183 73 E HA 0.299 4.650 4.350 0.003 0.000 0.271 73 E C 0.593 177.249 176.600 0.093 0.000 0.919 73 E CA -0.474 56.004 56.400 0.131 0.000 0.781 73 E CB 1.687 31.539 29.700 0.255 0.000 1.140 73 E HN 0.560 nan 8.360 nan 0.000 0.402 74 T N -0.046 114.569 114.554 0.102 0.000 3.015 74 T HA 0.155 4.506 4.350 0.003 0.000 0.250 74 T C 0.826 175.660 174.700 0.224 0.000 1.057 74 T CA 0.044 62.202 62.100 0.097 0.000 1.066 74 T CB 0.108 69.013 68.868 0.063 0.000 0.959 74 T HN 0.224 nan 8.240 nan 0.000 0.488 75 S N 0.778 116.597 115.700 0.198 0.000 2.465 75 S HA 0.430 4.902 4.470 0.003 0.000 0.279 75 S C 1.129 175.823 174.600 0.156 0.000 1.201 75 S CA -0.742 57.575 58.200 0.196 0.000 1.053 75 S CB 1.295 64.572 63.200 0.128 0.000 0.953 75 S HN 0.292 nan 8.310 nan 0.000 0.488 76 R N 4.446 124.960 120.500 0.023 0.000 2.075 76 R HA 0.055 4.397 4.340 0.003 0.000 0.232 76 R C 2.332 178.668 176.300 0.060 0.000 1.126 76 R CA 2.040 58.059 56.100 -0.134 0.000 0.963 76 R CB -0.996 29.078 30.300 -0.377 0.000 0.858 76 R HN 0.794 nan 8.270 nan 0.000 0.435 77 A N 0.111 122.976 122.820 0.075 0.000 1.883 77 A HA -0.134 4.188 4.320 0.003 0.000 0.217 77 A C 2.339 179.955 177.584 0.054 0.000 1.186 77 A CA 1.972 54.049 52.037 0.068 0.000 0.624 77 A CB -1.104 17.938 19.000 0.070 0.000 0.822 77 A HN 0.455 nan 8.150 nan 0.000 0.444 78 A N -1.593 121.276 122.820 0.081 0.000 1.930 78 A HA -0.003 4.319 4.320 0.003 0.000 0.217 78 A C 2.036 179.680 177.584 0.099 0.000 1.175 78 A CA 1.520 53.604 52.037 0.078 0.000 0.627 78 A CB -0.679 18.378 19.000 0.096 0.000 0.815 78 A HN 0.656 nan 8.150 nan 0.000 0.443 79 F N 0.745 120.697 119.950 0.002 0.000 2.171 79 F HA -0.134 4.395 4.527 0.004 0.000 0.300 79 F C 2.362 178.147 175.800 -0.025 0.000 1.090 79 F CA 1.606 59.604 58.000 -0.003 0.000 1.293 79 F CB -0.171 38.823 39.000 -0.010 0.000 1.013 79 F HN 0.111 nan 8.300 nan 0.000 0.486 80 R N -0.805 119.686 120.500 -0.015 0.000 2.081 80 R HA -0.195 4.146 4.340 0.003 0.000 0.235 80 R C 2.300 178.480 176.300 -0.199 0.000 1.131 80 R CA 1.693 57.720 56.100 -0.122 0.000 0.960 80 R CB -1.157 29.119 30.300 -0.039 0.000 0.856 80 R HN 0.365 nan 8.270 nan 0.000 0.436 81 C N 0.626 119.856 119.300 -0.117 0.000 2.453 81 C HA -0.039 4.423 4.460 0.003 0.000 0.277 81 C C 2.655 177.593 174.990 -0.088 0.000 1.262 81 C CA 0.422 59.398 59.018 -0.070 0.000 1.718 81 C CB -0.923 26.815 27.740 -0.003 0.000 2.031 81 C HN 0.431 nan 8.230 nan 0.000 0.480 82 L N 0.561 121.710 121.223 -0.123 0.000 2.042 82 L HA -0.195 4.146 4.340 0.003 0.000 0.210 82 L C 2.713 179.449 176.870 -0.224 0.000 1.076 82 L CA 1.886 56.650 54.840 -0.126 0.000 0.749 82 L CB -1.222 40.760 42.059 -0.129 0.000 0.893 82 L HN 0.394 nan 8.230 nan 0.000 0.432 83 T N -0.118 114.178 114.554 -0.429 0.000 2.674 83 T HA -0.197 4.154 4.350 0.003 0.000 0.265 83 T C 1.999 176.523 174.700 -0.294 0.000 1.039 83 T CA 1.432 63.282 62.100 -0.417 0.000 1.150 83 T CB -0.315 68.225 68.868 -0.546 0.000 0.864 83 T HN 0.461 nan 8.240 nan 0.000 0.427 84 A N 1.202 123.802 122.820 -0.367 0.000 1.972 84 A HA -0.074 4.248 4.320 0.003 0.000 0.219 84 A C 2.468 179.832 177.584 -0.367 0.000 1.169 84 A CA 1.713 53.396 52.037 -0.590 0.000 0.635 84 A CB -0.643 17.701 19.000 -1.094 0.000 0.810 84 A HN 0.440 nan 8.150 nan 0.000 0.446 85 S N -1.556 114.132 115.700 -0.021 0.000 2.561 85 S HA 0.311 4.783 4.470 0.003 0.000 0.225 85 S C 1.433 176.097 174.600 0.107 0.000 0.977 85 S CA 0.825 59.169 58.200 0.240 0.000 0.926 85 S CB -0.152 63.190 63.200 0.237 0.000 0.769 85 S HN 1.622 nan 8.310 nan 0.000 0.533 86 G N 1.341 110.143 108.800 0.003 0.000 2.160 86 G HA2 -0.243 3.719 3.960 0.003 0.000 0.251 86 G HA3 -0.243 3.719 3.960 0.003 0.000 0.251 86 G C -0.082 174.824 174.900 0.011 0.000 1.008 86 G CA -0.084 45.015 45.100 -0.000 0.000 0.724 86 G HN 0.473 nan 8.290 nan 0.000 0.514 87 L N 0.342 121.567 121.223 0.003 0.000 2.276 87 L HA 0.436 4.778 4.340 0.003 0.000 0.286 87 L C 0.929 177.802 176.870 0.004 0.000 1.061 87 L CA -1.054 53.798 54.840 0.020 0.000 0.807 87 L CB 1.416 43.499 42.059 0.040 0.000 1.177 87 L HN 0.242 nan 8.230 nan 0.000 0.429 88 Q N 3.311 123.129 119.800 0.030 0.000 2.262 88 Q HA 0.381 4.722 4.340 0.003 0.000 0.298 88 Q C -0.893 175.147 176.000 0.066 0.000 1.083 88 Q CA 0.409 56.240 55.803 0.047 0.000 0.962 88 Q CB 0.731 29.505 28.738 0.059 0.000 1.104 88 Q HN 0.653 nan 8.270 nan 0.000 0.376 89 A N 4.734 127.614 122.820 0.100 0.000 2.604 89 A HA 0.862 5.184 4.320 0.003 0.000 0.295 89 A C -1.426 176.354 177.584 0.327 0.000 1.067 89 A CA -1.012 51.135 52.037 0.183 0.000 0.683 89 A CB 1.520 20.616 19.000 0.160 0.000 1.281 89 A HN 0.605 nan 8.150 nan 0.000 0.407 90 R N 0.651 121.317 120.500 0.277 0.000 2.750 90 R HA 0.511 4.853 4.340 0.003 0.000 0.281 90 R C -1.240 175.084 176.300 0.041 0.000 0.972 90 R CA -0.833 55.375 56.100 0.180 0.000 0.912 90 R CB 1.313 31.665 30.300 0.087 0.000 1.187 90 R HN 0.669 nan 8.270 nan 0.000 0.464 91 L N 2.333 123.434 121.223 -0.203 0.000 2.433 91 L HA 0.450 4.792 4.340 0.003 0.000 0.284 91 L C 0.139 176.929 176.870 -0.132 0.000 1.120 91 L CA 0.029 54.692 54.840 -0.295 0.000 0.879 91 L CB 0.468 42.275 42.059 -0.420 0.000 1.232 91 L HN 0.663 nan 8.230 nan 0.000 0.454 92 A N 4.057 126.816 122.820 -0.102 0.000 2.605 92 A HA 0.683 5.005 4.320 0.003 0.000 0.294 92 A C -0.960 176.493 177.584 -0.219 0.000 1.062 92 A CA -0.697 51.258 52.037 -0.138 0.000 0.682 92 A CB 1.103 20.045 19.000 -0.096 0.000 1.278 92 A HN 0.440 nan 8.150 nan 0.000 0.410 93 L N 1.312 122.306 121.223 -0.382 0.000 2.418 93 L HA 0.295 4.637 4.340 0.003 0.000 0.265 93 L C -1.479 174.972 176.870 -0.699 0.000 1.143 93 L CA -1.781 52.616 54.840 -0.740 0.000 0.809 93 L CB 0.943 42.217 42.059 -1.309 0.000 1.124 93 L HN 0.521 nan 8.230 nan 0.000 0.456 94 P HA -0.188 nan 4.420 nan 0.000 0.216 94 P C 0.873 178.055 177.300 -0.197 0.000 1.153 94 P CA 1.475 64.376 63.100 -0.331 0.000 0.858 94 P CB -0.030 31.540 31.700 -0.218 0.000 0.789 95 W N -0.195 121.044 121.300 -0.102 0.000 3.204 95 W HA 0.171 4.834 4.660 0.005 0.000 0.249 95 W C 0.870 177.376 176.519 -0.022 0.000 1.322 95 W CA 0.058 57.361 57.345 -0.069 0.000 1.593 95 W CB -1.381 28.021 29.460 -0.097 0.000 1.122 95 W HN 0.023 nan 8.180 nan 0.000 0.710 96 E N 0.911 121.042 120.200 -0.116 0.000 2.479 96 E HA 0.201 4.553 4.350 0.003 0.000 0.193 96 E C 0.978 177.595 176.600 0.028 0.000 1.049 96 E CA -0.137 56.249 56.400 -0.025 0.000 0.870 96 E CB 0.112 29.747 29.700 -0.108 0.000 0.944 96 E HN 0.229 nan 8.360 nan 0.000 0.492 97 A N 1.634 124.473 122.820 0.032 0.000 2.477 97 A HA 0.396 4.717 4.320 0.003 0.000 0.246 97 A C 0.420 178.099 177.584 0.159 0.000 1.078 97 A CA -0.030 52.059 52.037 0.086 0.000 0.770 97 A CB 0.224 19.241 19.000 0.029 0.000 1.011 97 A HN 0.224 nan 8.150 nan 0.000 0.494 98 A N 2.083 125.043 122.820 0.232 0.000 2.511 98 A HA 0.508 4.830 4.320 0.003 0.000 0.242 98 A C 0.901 178.594 177.584 0.182 0.000 1.069 98 A CA 0.295 52.437 52.037 0.176 0.000 0.763 98 A CB -0.328 18.747 19.000 0.125 0.000 1.001 98 A HN 2.147 nan 8.150 nan 0.000 0.498 99 A N 2.108 124.997 122.820 0.114 0.000 2.440 99 A HA 0.508 4.830 4.320 0.003 0.000 0.251 99 A C 1.569 179.197 177.584 0.073 0.000 1.089 99 A CA 0.454 52.551 52.037 0.100 0.000 0.779 99 A CB -0.594 18.450 19.000 0.073 0.000 1.022 99 A HN 2.724 nan 8.150 nan 0.000 0.492 100 G N 0.808 109.661 108.800 0.089 0.000 2.233 100 G HA2 -0.025 3.937 3.960 0.003 0.000 0.270 100 G HA3 -0.025 3.937 3.960 0.003 0.000 0.270 100 G C 0.784 175.685 174.900 0.002 0.000 1.011 100 G CA 0.823 45.957 45.100 0.058 0.000 0.762 100 G HN 2.048 nan 8.290 nan 0.000 0.511 101 A N -1.382 121.408 122.820 -0.048 0.000 2.387 101 A HA 0.675 4.996 4.320 0.003 0.000 0.234 101 A C 0.302 177.517 177.584 -0.616 0.000 1.253 101 A CA 0.244 52.087 52.037 -0.324 0.000 0.894 101 A CB 0.305 19.040 19.000 -0.441 0.000 0.963 101 A HN 0.593 nan 8.150 nan 0.000 0.508 102 Y N -1.274 119.050 120.300 0.039 0.000 2.545 102 Y HA 0.389 4.939 4.550 0.002 0.000 0.348 102 Y C 0.329 176.266 175.900 0.061 0.000 1.002 102 Y CA -1.188 56.941 58.100 0.047 0.000 1.039 102 Y CB 1.573 40.068 38.460 0.058 0.000 1.271 102 Y HN 0.133 nan 8.280 nan 0.000 0.467 103 D N 0.881 121.411 120.400 0.217 0.000 2.338 103 D HA 0.094 4.736 4.640 0.003 0.000 0.208 103 D C -0.486 176.005 176.300 0.317 0.000 0.997 103 D CA 0.835 54.945 54.000 0.183 0.000 0.880 103 D CB 1.016 41.817 40.800 0.001 0.000 0.980 103 D HN 0.225 nan 8.370 nan 0.000 0.509 104 L N 0.832 122.228 121.223 0.289 0.000 2.455 104 L HA 0.400 4.741 4.340 0.003 0.000 0.264 104 L C -1.557 175.421 176.870 0.180 0.000 0.968 104 L CA -0.735 54.267 54.840 0.270 0.000 0.827 104 L CB 2.522 44.771 42.059 0.316 0.000 1.317 104 L HN -0.348 nan 8.230 nan 0.000 0.407 105 V N 4.859 124.855 119.914 0.137 0.000 2.656 105 V HA 0.640 4.762 4.120 0.003 0.000 0.307 105 V C -0.772 175.395 176.094 0.121 0.000 1.051 105 V CA -0.723 61.621 62.300 0.073 0.000 0.893 105 V CB 2.158 34.004 31.823 0.038 0.000 0.999 105 V HN 0.508 nan 8.190 nan 0.000 0.426 106 V N 5.654 125.622 119.914 0.089 0.000 2.417 106 V HA 0.584 4.706 4.120 0.003 0.000 0.291 106 V C -0.731 175.396 176.094 0.055 0.000 1.024 106 V CA -0.516 61.848 62.300 0.106 0.000 0.861 106 V CB 1.596 33.453 31.823 0.056 0.000 0.985 106 V HN 0.641 nan 8.190 nan 0.000 0.436 107 L N 5.432 126.693 121.223 0.064 0.000 2.504 107 L HA 0.821 5.163 4.340 0.003 0.000 0.265 107 L C 0.050 176.933 176.870 0.022 0.000 0.975 107 L CA -0.268 54.596 54.840 0.040 0.000 0.864 107 L CB 1.392 43.480 42.059 0.050 0.000 1.212 107 L HN 0.697 nan 8.230 nan 0.000 0.416 108 A N 5.586 128.376 122.820 -0.049 0.000 2.354 108 A HA 0.524 4.846 4.320 0.003 0.000 0.281 108 A C -0.097 177.488 177.584 0.002 0.000 1.174 108 A CA -0.417 51.549 52.037 -0.118 0.000 0.828 108 A CB -0.058 18.654 19.000 -0.480 0.000 1.099 108 A HN 0.774 nan 8.150 nan 0.000 0.516 109 L N 5.031 126.293 121.223 0.065 0.000 2.584 109 L HA 0.124 4.465 4.340 0.003 0.000 0.272 109 L C -1.288 175.636 176.870 0.089 0.000 1.195 109 L CA -0.802 54.085 54.840 0.078 0.000 0.920 109 L CB 0.512 42.658 42.059 0.145 0.000 1.173 109 L HN 0.584 nan 8.230 nan 0.000 0.489 110 P HA 0.080 nan 4.420 nan 0.000 0.220 110 P C 0.674 178.030 177.300 0.094 0.000 1.778 110 P CA -0.102 63.073 63.100 0.126 0.000 0.912 110 P CB 0.689 32.527 31.700 0.230 0.000 1.861 111 A N 1.588 124.469 122.820 0.102 0.000 1.948 111 A HA -0.155 4.167 4.320 0.003 0.000 0.220 111 A C 2.350 180.001 177.584 0.111 0.000 1.177 111 A CA 2.099 54.218 52.037 0.137 0.000 0.636 111 A CB -1.693 17.434 19.000 0.211 0.000 0.815 111 A HN 0.388 nan 8.150 nan 0.000 0.449 112 G N -1.303 107.547 108.800 0.084 0.000 2.498 112 G HA2 -0.159 3.802 3.960 0.003 0.000 0.219 112 G HA3 -0.159 3.802 3.960 0.003 0.000 0.219 112 G C 1.491 176.394 174.900 0.005 0.000 1.119 112 G CA 0.495 45.625 45.100 0.050 0.000 0.766 112 G HN 0.440 nan 8.290 nan 0.000 0.552 113 R N 0.336 120.821 120.500 -0.024 0.000 2.297 113 R HA 0.217 4.559 4.340 0.003 0.000 0.197 113 R C 1.223 177.530 176.300 0.012 0.000 0.943 113 R CA 0.681 56.718 56.100 -0.106 0.000 1.038 113 R CB -0.439 29.619 30.300 -0.403 0.000 0.957 113 R HN 0.425 nan 8.270 nan 0.000 0.484 114 G N -0.345 108.495 108.800 0.068 0.000 2.619 114 G HA2 -0.237 3.725 3.960 0.003 0.000 0.686 114 G HA3 -0.237 3.725 3.960 0.003 0.000 0.686 114 G C 0.567 175.544 174.900 0.128 0.000 1.256 114 G CA -0.254 44.904 45.100 0.097 0.000 0.826 114 G HN 0.008 nan 8.290 nan 0.000 0.619 115 T N 1.038 115.679 114.554 0.146 0.000 2.684 115 T HA -0.017 4.335 4.350 0.003 0.000 0.267 115 T C 2.939 177.693 174.700 0.090 0.000 1.036 115 T CA 3.199 65.401 62.100 0.170 0.000 1.148 115 T CB -0.562 68.419 68.868 0.188 0.000 0.863 115 T HN 1.689 nan 8.240 nan 0.000 0.436 116 A N 0.402 123.267 122.820 0.076 0.000 1.883 116 A HA -0.157 4.165 4.320 0.003 0.000 0.217 116 A C 2.120 179.714 177.584 0.016 0.000 1.186 116 A CA 1.813 53.865 52.037 0.026 0.000 0.624 116 A CB -1.149 17.864 19.000 0.022 0.000 0.822 116 A HN 0.599 nan 8.150 nan 0.000 0.444 117 Y N 0.280 120.572 120.300 -0.015 0.000 2.181 117 Y HA -0.166 4.387 4.550 0.004 0.000 0.288 117 Y C 2.470 178.382 175.900 0.021 0.000 1.146 117 Y CA 1.849 59.977 58.100 0.047 0.000 1.164 117 Y CB -0.173 38.341 38.460 0.090 0.000 0.982 117 Y HN 0.085 nan 8.280 nan 0.000 0.515 118 V N 0.452 120.417 119.914 0.084 0.000 2.261 118 V HA -0.365 3.756 4.120 0.003 0.000 0.246 118 V C 2.153 178.146 176.094 -0.167 0.000 1.047 118 V CA 2.386 64.606 62.300 -0.134 0.000 1.015 118 V CB -0.749 30.751 31.823 -0.538 0.000 0.642 118 V HN 0.460 nan 8.190 nan 0.000 0.446 119 Q N -0.238 119.488 119.800 -0.122 0.000 2.124 119 Q HA -0.163 4.178 4.340 0.003 0.000 0.202 119 Q C 2.382 178.327 176.000 -0.091 0.000 0.977 119 Q CA 1.653 57.411 55.803 -0.075 0.000 0.850 119 Q CB -0.401 28.322 28.738 -0.025 0.000 0.901 119 Q HN 0.685 nan 8.270 nan 0.000 0.429 120 A N 0.538 123.272 122.820 -0.144 0.000 1.930 120 A HA -0.140 4.181 4.320 0.003 0.000 0.217 120 A C 2.253 179.821 177.584 -0.025 0.000 1.175 120 A CA 1.520 53.445 52.037 -0.186 0.000 0.627 120 A CB -0.318 18.397 19.000 -0.474 0.000 0.815 120 A HN 0.226 nan 8.150 nan 0.000 0.443 121 S N -0.153 115.521 115.700 -0.044 0.000 2.387 121 S HA -0.015 4.457 4.470 0.003 0.000 0.226 121 S C 1.803 176.402 174.600 -0.001 0.000 1.026 121 S CA 1.139 59.334 58.200 -0.007 0.000 0.972 121 S CB -0.373 62.807 63.200 -0.033 0.000 0.814 121 S HN 0.508 nan 8.310 nan 0.000 0.477 122 L N 1.024 122.232 121.223 -0.025 0.000 2.017 122 L HA -0.074 4.267 4.340 0.003 0.000 0.208 122 L C 2.306 179.180 176.870 0.008 0.000 1.073 122 L CA 0.969 55.805 54.840 -0.007 0.000 0.745 122 L CB -0.646 41.403 42.059 -0.015 0.000 0.894 122 L HN 0.204 nan 8.230 nan 0.000 0.432 123 V N -0.043 119.871 119.914 -0.000 0.000 2.427 123 V HA -0.242 3.879 4.120 0.003 0.000 0.248 123 V C 2.712 178.828 176.094 0.036 0.000 1.051 123 V CA 1.597 63.903 62.300 0.009 0.000 1.048 123 V CB -0.850 30.965 31.823 -0.012 0.000 0.666 123 V HN 0.465 nan 8.190 nan 0.000 0.456 124 A N 0.157 123.010 122.820 0.055 0.000 1.933 124 A HA -0.107 4.214 4.320 0.003 0.000 0.218 124 A C 2.433 180.052 177.584 0.059 0.000 1.175 124 A CA 2.036 54.124 52.037 0.084 0.000 0.628 124 A CB -0.688 18.383 19.000 0.118 0.000 0.814 124 A HN 0.554 nan 8.150 nan 0.000 0.444 125 A N -0.102 122.742 122.820 0.041 0.000 1.873 125 A HA 0.177 4.498 4.320 0.003 0.000 0.215 125 A C 2.523 180.140 177.584 0.054 0.000 1.186 125 A CA 2.064 54.124 52.037 0.037 0.000 0.616 125 A CB -1.070 17.950 19.000 0.033 0.000 0.823 125 A HN 1.063 nan 8.150 nan 0.000 0.442 126 A N -0.203 122.646 122.820 0.048 0.000 1.902 126 A HA -0.176 4.146 4.320 0.003 0.000 0.217 126 A C 2.259 179.880 177.584 0.062 0.000 1.181 126 A CA 1.617 53.683 52.037 0.049 0.000 0.623 126 A CB -0.439 18.581 19.000 0.033 0.000 0.818 126 A HN 0.562 nan 8.150 nan 0.000 0.443 127 R N -0.724 119.815 120.500 0.065 0.000 2.090 127 R HA 0.053 4.395 4.340 0.003 0.000 0.228 127 R C 2.444 178.808 176.300 0.107 0.000 1.110 127 R CA 0.965 57.111 56.100 0.076 0.000 0.973 127 R CB -0.395 29.949 30.300 0.074 0.000 0.869 127 R HN 0.492 nan 8.270 nan 0.000 0.440 128 A N 1.486 124.382 122.820 0.128 0.000 1.972 128 A HA -0.043 4.278 4.320 0.003 0.000 0.219 128 A C 1.120 178.856 177.584 0.253 0.000 1.169 128 A CA 0.753 52.921 52.037 0.218 0.000 0.635 128 A CB -0.367 18.727 19.000 0.158 0.000 0.810 128 A HN 0.110 nan 8.150 nan 0.000 0.446 129 L N 0.822 122.148 121.223 0.172 0.000 2.397 129 L HA 0.225 4.567 4.340 0.003 0.000 0.271 129 L C 0.983 177.925 176.870 0.120 0.000 1.148 129 L CA -0.667 54.270 54.840 0.162 0.000 0.825 129 L CB 0.676 42.812 42.059 0.128 0.000 1.117 129 L HN 0.525 nan 8.230 nan 0.000 0.456 130 R N 2.314 122.881 120.500 0.111 0.000 2.649 130 R HA 0.428 4.770 4.340 0.003 0.000 0.270 130 R C -0.138 176.209 176.300 0.078 0.000 1.105 130 R CA -0.970 55.174 56.100 0.074 0.000 1.193 130 R CB 0.436 30.768 30.300 0.054 0.000 1.120 130 R HN 0.357 nan 8.270 nan 0.000 0.561 131 M N 1.074 120.709 119.600 0.059 0.000 2.248 131 M HA 0.159 4.641 4.480 0.003 0.000 0.345 131 M C 0.929 177.273 176.300 0.073 0.000 1.243 131 M CA 1.605 56.939 55.300 0.056 0.000 1.090 131 M CB 0.336 32.959 32.600 0.039 0.000 1.683 131 M HN 0.954 nan 8.290 nan 0.000 0.450 132 G N 2.770 111.615 108.800 0.075 0.000 2.176 132 G HA2 -0.181 3.780 3.960 0.003 0.000 0.253 132 G HA3 -0.181 3.780 3.960 0.003 0.000 0.253 132 G C 0.428 175.428 174.900 0.167 0.000 0.979 132 G CA 0.130 45.288 45.100 0.098 0.000 0.641 132 G HN 1.236 nan 8.290 nan 0.000 0.530 133 G N -0.518 108.380 108.800 0.163 0.000 2.606 133 G HA2 0.519 4.481 3.960 0.003 0.000 0.252 133 G HA3 0.519 4.481 3.960 0.003 0.000 0.252 133 G C 0.099 175.069 174.900 0.118 0.000 1.206 133 G CA -0.361 44.875 45.100 0.227 0.000 0.861 133 G HN 0.360 nan 8.290 nan 0.000 0.561 134 R N -0.592 119.970 120.500 0.103 0.000 2.711 134 R HA 0.521 4.863 4.340 0.003 0.000 0.284 134 R C -1.293 174.974 176.300 -0.056 0.000 0.968 134 R CA -0.914 55.125 56.100 -0.102 0.000 0.924 134 R CB 1.896 31.964 30.300 -0.386 0.000 1.162 134 R HN 0.380 nan 8.270 nan 0.000 0.465 135 L N 2.054 123.203 121.223 -0.123 0.000 2.409 135 L HA 0.429 4.771 4.340 0.003 0.000 0.272 135 L C -1.693 175.098 176.870 -0.132 0.000 0.980 135 L CA -0.581 54.225 54.840 -0.057 0.000 0.826 135 L CB 1.353 43.423 42.059 0.018 0.000 1.268 135 L HN 0.411 nan 8.230 nan 0.000 0.407 136 Y N 5.528 125.852 120.300 0.041 0.000 2.367 136 Y HA 0.588 5.140 4.550 0.003 0.000 0.342 136 Y C -0.491 175.435 175.900 0.043 0.000 0.979 136 Y CA -0.211 57.907 58.100 0.030 0.000 1.161 136 Y CB 1.626 40.088 38.460 0.003 0.000 1.155 136 Y HN 0.556 nan 8.280 nan 0.000 0.503 137 L N 4.026 125.377 121.223 0.212 0.000 2.325 137 L HA 0.866 5.208 4.340 0.003 0.000 0.281 137 L C -0.647 176.378 176.870 0.258 0.000 1.004 137 L CA -0.467 54.497 54.840 0.206 0.000 0.823 137 L CB 0.897 43.083 42.059 0.211 0.000 1.236 137 L HN 0.624 nan 8.230 nan 0.000 0.415 138 A N 3.134 126.067 122.820 0.189 0.000 2.355 138 A HA 1.007 5.329 4.320 0.003 0.000 0.324 138 A C -0.142 177.563 177.584 0.201 0.000 1.117 138 A CA 0.184 52.296 52.037 0.125 0.000 0.785 138 A CB 1.479 20.470 19.000 -0.015 0.000 1.254 138 A HN 0.976 nan 8.150 nan 0.000 0.453 139 G N -0.244 108.632 108.800 0.128 0.000 2.561 139 G HA2 0.505 4.467 3.960 0.003 0.000 0.310 139 G HA3 0.505 4.467 3.960 0.003 0.000 0.310 139 G C -2.230 172.753 174.900 0.138 0.000 1.292 139 G CA -0.276 44.982 45.100 0.264 0.000 0.811 139 G HN 0.682 nan 8.290 nan 0.000 0.482 140 D N -0.205 120.337 120.400 0.236 0.000 2.492 140 D HA 0.273 4.915 4.640 0.003 0.000 0.248 140 D C 1.295 177.671 176.300 0.126 0.000 1.101 140 D CA -0.640 53.438 54.000 0.130 0.000 0.840 140 D CB 2.076 42.998 40.800 0.204 0.000 1.209 140 D HN 0.527 nan 8.370 nan 0.000 0.524 141 K N 2.546 122.951 120.400 0.008 0.000 2.281 141 K HA -0.111 4.211 4.320 0.003 0.000 0.203 141 K C 0.615 177.246 176.600 0.051 0.000 1.046 141 K CA 1.210 57.546 56.287 0.083 0.000 0.938 141 K CB -0.076 32.425 32.500 0.002 0.000 0.737 141 K HN 0.258 nan 8.250 nan 0.000 0.458 142 N N 0.386 119.089 118.700 0.006 0.000 2.467 142 N HA 0.014 4.755 4.740 0.003 0.000 0.184 142 N C -0.079 175.464 175.510 0.056 0.000 1.106 142 N CA 0.286 53.343 53.050 0.013 0.000 0.892 142 N CB 0.302 38.779 38.487 -0.017 0.000 0.969 142 N HN 0.164 nan 8.380 nan 0.000 0.454 143 K N -0.026 120.437 120.400 0.104 0.000 3.202 143 K HA 0.230 4.552 4.320 0.003 0.000 0.206 143 K C 0.142 176.861 176.600 0.198 0.000 1.142 143 K CA -0.207 56.167 56.287 0.145 0.000 0.979 143 K CB 1.160 33.764 32.500 0.173 0.000 0.863 143 K HN 0.102 nan 8.250 nan 0.000 0.479 144 G N 0.941 109.804 108.800 0.105 0.000 2.162 144 G HA2 -0.360 3.602 3.960 0.003 0.000 0.260 144 G HA3 -0.360 3.602 3.960 0.003 0.000 0.260 144 G C 0.607 175.524 174.900 0.027 0.000 0.976 144 G CA 0.347 45.424 45.100 -0.039 0.000 0.655 144 G HN 0.501 nan 8.290 nan 0.000 0.533 145 F N 1.323 121.328 119.950 0.091 0.000 2.065 145 F HA -0.102 4.427 4.527 0.004 0.000 0.298 145 F C 2.431 178.309 175.800 0.130 0.000 1.112 145 F CA 2.799 60.883 58.000 0.140 0.000 1.212 145 F CB -0.247 38.800 39.000 0.078 0.000 0.975 145 F HN 0.425 nan 8.300 nan 0.000 0.476 146 E N -0.175 120.037 120.200 0.020 0.000 2.058 146 E HA -0.296 4.056 4.350 0.003 0.000 0.194 146 E C 2.373 178.889 176.600 -0.140 0.000 0.997 146 E CA 1.484 57.867 56.400 -0.029 0.000 0.801 146 E CB -0.398 29.342 29.700 0.067 0.000 0.746 146 E HN 0.425 nan 8.360 nan 0.000 0.450 147 R N 0.243 120.607 120.500 -0.226 0.000 2.083 147 R HA -0.191 4.151 4.340 0.003 0.000 0.237 147 R C 2.045 178.188 176.300 -0.262 0.000 1.137 147 R CA 1.612 57.529 56.100 -0.306 0.000 0.951 147 R CB -0.243 29.760 30.300 -0.495 0.000 0.851 147 R HN 0.197 nan 8.270 nan 0.000 0.434 148 Y N -0.440 119.803 120.300 -0.095 0.000 2.314 148 Y HA -0.133 4.419 4.550 0.002 0.000 0.293 148 Y C 1.961 177.782 175.900 -0.131 0.000 1.129 148 Y CA 0.711 58.756 58.100 -0.092 0.000 1.201 148 Y CB -0.704 37.730 38.460 -0.044 0.000 0.999 148 Y HN 0.144 nan 8.280 nan 0.000 0.541 149 F N 1.334 121.082 119.950 -0.337 0.000 2.146 149 F HA -0.119 4.410 4.527 0.003 0.000 0.298 149 F C 1.882 177.549 175.800 -0.222 0.000 1.096 149 F CA 1.448 59.194 58.000 -0.423 0.000 1.275 149 F CB -0.456 38.038 39.000 -0.844 0.000 1.008 149 F HN -0.118 nan 8.300 nan 0.000 0.480 150 K N 0.155 120.326 120.400 -0.382 0.000 2.097 150 K HA -0.148 4.174 4.320 0.003 0.000 0.205 150 K C 2.027 178.470 176.600 -0.262 0.000 1.050 150 K CA 1.667 57.706 56.287 -0.414 0.000 0.938 150 K CB -0.257 32.092 32.500 -0.252 0.000 0.718 150 K HN 0.375 nan 8.250 nan 0.000 0.442 151 E N 0.443 120.560 120.200 -0.139 0.000 2.106 151 E HA -0.148 4.204 4.350 0.003 0.000 0.192 151 E C 2.032 178.592 176.600 -0.065 0.000 0.984 151 E CA 0.895 57.257 56.400 -0.062 0.000 0.806 151 E CB -0.028 29.694 29.700 0.038 0.000 0.750 151 E HN 0.322 nan 8.360 nan 0.000 0.458 152 A N 1.381 124.162 122.820 -0.066 0.000 1.930 152 A HA -0.156 4.166 4.320 0.003 0.000 0.217 152 A C 2.044 179.569 177.584 -0.098 0.000 1.175 152 A CA 0.992 53.005 52.037 -0.040 0.000 0.627 152 A CB -0.280 18.739 19.000 0.031 0.000 0.815 152 A HN 0.060 nan 8.150 nan 0.000 0.443 153 R N -0.611 119.749 120.500 -0.233 0.000 2.081 153 R HA -0.099 4.243 4.340 0.003 0.000 0.235 153 R C 2.489 178.699 176.300 -0.150 0.000 1.131 153 R CA 1.196 57.146 56.100 -0.251 0.000 0.960 153 R CB -0.461 29.570 30.300 -0.448 0.000 0.856 153 R HN 0.516 nan 8.270 nan 0.000 0.436 154 A N 1.104 123.839 122.820 -0.141 0.000 1.940 154 A HA -0.143 4.179 4.320 0.003 0.000 0.219 154 A C 2.159 179.711 177.584 -0.054 0.000 1.176 154 A CA 1.207 53.191 52.037 -0.090 0.000 0.631 154 A CB -0.449 18.502 19.000 -0.081 0.000 0.814 154 A HN 0.187 nan 8.150 nan 0.000 0.446 155 L N -1.297 119.898 121.223 -0.045 0.000 2.072 155 L HA -0.080 4.261 4.340 0.003 0.000 0.205 155 L C 2.413 179.277 176.870 -0.009 0.000 1.079 155 L CA 1.001 55.828 54.840 -0.020 0.000 0.752 155 L CB -0.280 41.772 42.059 -0.011 0.000 0.906 155 L HN 0.363 nan 8.230 nan 0.000 0.436 156 L N -2.221 118.995 121.223 -0.011 0.000 2.286 156 L HA 0.300 4.642 4.340 0.003 0.000 0.203 156 L C 1.437 178.317 176.870 0.017 0.000 1.068 156 L CA 0.668 55.514 54.840 0.010 0.000 0.811 156 L CB -0.104 41.967 42.059 0.021 0.000 0.989 156 L HN 0.406 nan 8.230 nan 0.000 0.467 157 G N -0.948 107.850 108.800 -0.003 0.000 2.344 157 G HA2 -0.297 3.665 3.960 0.003 0.000 0.215 157 G HA3 -0.297 3.665 3.960 0.003 0.000 0.215 157 G C -0.619 174.296 174.900 0.025 0.000 1.293 157 G CA -0.114 44.995 45.100 0.015 0.000 1.305 157 G HN 0.004 nan 8.290 nan 0.000 0.484 158 Y N 3.057 123.336 120.300 -0.035 0.000 2.610 158 Y HA 0.421 4.973 4.550 0.002 0.000 0.332 158 Y C 0.616 176.513 175.900 -0.005 0.000 1.201 158 Y CA 1.387 59.472 58.100 -0.025 0.000 1.465 158 Y CB 0.859 39.305 38.460 -0.023 0.000 1.283 158 Y HN 1.412 nan 8.280 nan 0.000 0.563 159 G N 4.505 112.844 108.800 -0.768 0.000 2.657 159 G HA2 0.489 4.450 3.960 0.003 0.000 0.303 159 G HA3 0.489 4.450 3.960 0.003 0.000 0.303 159 G C -2.096 172.670 174.900 -0.223 0.000 1.457 159 G CA -0.265 44.604 45.100 -0.385 0.000 0.982 159 G HN 1.235 nan 8.290 nan 0.000 0.583 160 V N -0.696 119.167 119.914 -0.086 0.000 3.114 160 V HA 0.864 4.986 4.120 0.003 0.000 0.308 160 V C -0.186 175.889 176.094 -0.032 0.000 1.168 160 V CA -1.200 61.124 62.300 0.040 0.000 1.015 160 V CB 1.559 33.337 31.823 -0.076 0.000 1.050 160 V HN 0.807 nan 8.190 nan 0.000 0.433 161 V N 2.859 122.721 119.914 -0.087 0.000 2.614 161 V HA 0.278 4.400 4.120 0.003 0.000 0.291 161 V C 1.247 177.307 176.094 -0.057 0.000 1.049 161 V CA 0.725 62.932 62.300 -0.155 0.000 1.038 161 V CB 1.265 33.005 31.823 -0.139 0.000 0.980 161 V HN 1.240 nan 8.190 nan 0.000 0.481 162 V N 1.781 121.671 119.914 -0.040 0.000 3.477 162 V HA 0.581 4.703 4.120 0.003 0.000 0.297 162 V C 0.322 176.411 176.094 -0.008 0.000 1.433 162 V CA -0.053 62.251 62.300 0.007 0.000 1.052 162 V CB 0.144 32.007 31.823 0.066 0.000 0.895 162 V HN 0.740 nan 8.190 nan 0.000 0.438 163 R N 0.614 121.085 120.500 -0.048 0.000 2.604 163 R HA 0.663 5.004 4.340 0.003 0.000 0.261 163 R C -1.330 174.911 176.300 -0.097 0.000 1.080 163 R CA -0.317 55.749 56.100 -0.057 0.000 0.917 163 R CB 1.685 31.956 30.300 -0.049 0.000 1.252 163 R HN 0.437 nan 8.270 nan 0.000 0.456 164 R N 1.766 122.221 120.500 -0.076 0.000 2.725 164 R HA 0.519 4.861 4.340 0.003 0.000 0.277 164 R C -1.268 175.008 176.300 -0.041 0.000 0.987 164 R CA -1.021 55.028 56.100 -0.086 0.000 0.901 164 R CB 2.656 32.904 30.300 -0.086 0.000 1.207 164 R HN 0.643 nan 8.270 nan 0.000 0.463 165 E N 1.017 121.207 120.200 -0.017 0.000 2.404 165 E HA 0.290 4.642 4.350 0.003 0.000 0.298 165 E C -0.061 176.571 176.600 0.053 0.000 0.908 165 E CA 0.214 56.636 56.400 0.036 0.000 0.808 165 E CB 1.126 30.870 29.700 0.073 0.000 1.380 165 E HN 0.817 nan 8.360 nan 0.000 0.392 166 G N 5.322 114.114 108.800 -0.012 0.000 2.583 166 G HA2 -0.290 3.672 3.960 0.003 0.000 0.292 166 G HA3 -0.290 3.672 3.960 0.003 0.000 0.292 166 G C -1.382 173.390 174.900 -0.213 0.000 1.203 166 G CA 0.190 45.240 45.100 -0.082 0.000 0.987 166 G HN 0.558 nan 8.290 nan 0.000 0.554 167 P HA 0.201 nan 4.420 nan 0.000 0.255 167 P C -0.144 176.812 177.300 -0.573 0.000 1.248 167 P CA 0.451 63.252 63.100 -0.498 0.000 0.807 167 P CB 0.122 31.493 31.700 -0.548 0.000 1.150 168 Y N 1.193 121.418 120.300 -0.125 0.000 2.309 168 Y HA 0.393 4.945 4.550 0.003 0.000 0.327 168 Y C 1.421 177.138 175.900 -0.305 0.000 1.172 168 Y CA -0.148 57.841 58.100 -0.185 0.000 1.280 168 Y CB 0.621 39.011 38.460 -0.117 0.000 1.234 168 Y HN -0.225 nan 8.280 nan 0.000 0.512 169 R N 1.262 121.541 120.500 -0.368 0.000 2.771 169 R HA 0.770 5.112 4.340 0.003 0.000 0.274 169 R C -1.830 174.156 176.300 -0.522 0.000 0.987 169 R CA -1.138 54.578 56.100 -0.639 0.000 0.908 169 R CB 2.335 31.779 30.300 -1.426 0.000 1.213 169 R HN 0.459 nan 8.270 nan 0.000 0.468 170 V N 0.867 120.590 119.914 -0.318 0.000 2.623 170 V HA 0.693 4.815 4.120 0.003 0.000 0.304 170 V C -0.546 175.519 176.094 -0.048 0.000 1.054 170 V CA -0.830 61.411 62.300 -0.098 0.000 0.882 170 V CB 1.837 33.641 31.823 -0.032 0.000 1.002 170 V HN 0.947 nan 8.190 nan 0.000 0.424 171 A N 4.315 127.167 122.820 0.052 0.000 2.356 171 A HA 0.977 5.299 4.320 0.003 0.000 0.323 171 A C -1.463 176.150 177.584 0.048 0.000 1.119 171 A CA -0.643 51.370 52.037 -0.040 0.000 0.790 171 A CB 1.713 20.531 19.000 -0.304 0.000 1.273 171 A HN 0.830 nan 8.150 nan 0.000 0.452 172 L N 1.720 122.942 121.223 -0.001 0.000 2.349 172 L HA 0.775 5.117 4.340 0.003 0.000 0.278 172 L C -1.449 175.409 176.870 -0.020 0.000 0.996 172 L CA -0.328 54.445 54.840 -0.112 0.000 0.825 172 L CB 1.045 43.009 42.059 -0.157 0.000 1.243 172 L HN 0.592 nan 8.230 nan 0.000 0.412 173 L N 3.664 124.872 121.223 -0.024 0.000 2.323 173 L HA 0.678 5.020 4.340 0.003 0.000 0.265 173 L C -0.436 176.471 176.870 0.063 0.000 1.012 173 L CA -0.456 54.423 54.840 0.065 0.000 0.820 173 L CB 1.909 44.010 42.059 0.069 0.000 1.334 173 L HN 0.607 nan 8.230 nan 0.000 0.427 174 E N 1.082 121.378 120.200 0.160 0.000 2.248 174 E HA 0.280 4.632 4.350 0.003 0.000 0.267 174 E C -1.211 175.432 176.600 0.072 0.000 0.877 174 E CA -0.885 55.557 56.400 0.070 0.000 0.759 174 E CB 1.726 31.441 29.700 0.025 0.000 1.182 174 E HN 0.476 nan 8.360 nan 0.000 0.418 175 K N 3.765 124.195 120.400 0.050 0.000 2.315 175 K HA 0.072 4.394 4.320 0.003 0.000 0.291 175 K C -0.016 176.610 176.600 0.044 0.000 1.074 175 K CA 0.338 56.655 56.287 0.050 0.000 0.936 175 K CB 0.455 32.989 32.500 0.057 0.000 1.049 175 K HN 0.549 nan 8.250 nan 0.000 0.471 176 E N 3.525 123.750 120.200 0.041 0.000 2.490 176 E HA 0.004 4.356 4.350 0.003 0.000 0.209 176 E C -0.482 176.133 176.600 0.025 0.000 0.971 176 E CA 0.083 56.502 56.400 0.032 0.000 0.988 176 E CB 0.606 30.328 29.700 0.036 0.000 1.029 176 E HN 0.532 nan 8.360 nan 0.000 0.496 177 K N 0.763 121.177 120.400 0.024 0.000 2.443 177 K HA 0.359 4.681 4.320 0.003 0.000 0.251 177 K C -0.459 176.153 176.600 0.020 0.000 0.972 177 K CA -0.894 55.404 56.287 0.018 0.000 0.833 177 K CB 1.812 34.319 32.500 0.011 0.000 1.317 177 K HN -0.319 nan 8.250 nan 0.000 0.441 178 E N 0.869 121.079 120.200 0.017 0.000 2.414 178 E HA 0.088 4.440 4.350 0.003 0.000 0.263 178 E C -0.129 176.482 176.600 0.019 0.000 1.000 178 E CA 0.027 56.439 56.400 0.020 0.000 0.914 178 E CB 1.020 30.730 29.700 0.016 0.000 0.948 178 E HN 0.676 nan 8.360 nan 0.000 0.444 179 A N 5.103 127.937 122.820 0.024 0.000 2.371 179 A HA 0.412 4.734 4.320 0.003 0.000 0.257 179 A C -1.749 175.845 177.584 0.018 0.000 1.089 179 A CA -1.039 51.012 52.037 0.023 0.000 0.794 179 A CB -0.138 18.882 19.000 0.033 0.000 1.029 179 A HN 0.409 nan 8.150 nan 0.000 0.488 180 P HA 0.403 nan 4.420 nan 0.000 0.278 180 P C -2.729 174.577 177.300 0.009 0.000 1.266 180 P CA -1.278 61.826 63.100 0.007 0.000 0.807 180 P CB 0.072 31.771 31.700 -0.001 0.000 1.094 181 P HA 0.194 nan 4.420 nan 0.000 0.274 181 P C 0.027 177.325 177.300 -0.003 0.000 1.246 181 P CA -0.324 62.781 63.100 0.009 0.000 0.795 181 P CB 0.731 32.435 31.700 0.008 0.000 1.006 182 L N 2.760 123.982 121.223 -0.001 0.000 2.455 182 L HA 0.140 4.481 4.340 0.003 0.000 0.272 182 L C -1.237 175.598 176.870 -0.058 0.000 1.174 182 L CA -1.394 53.427 54.840 -0.032 0.000 0.869 182 L CB 0.080 42.125 42.059 -0.022 0.000 1.130 182 L HN 0.361 nan 8.230 nan 0.000 0.474 183 P HA 0.058 nan 4.420 nan 0.000 0.272 183 P C -0.719 176.513 177.300 -0.113 0.000 1.230 183 P CA -0.552 62.495 63.100 -0.088 0.000 0.788 183 P CB 0.795 32.435 31.700 -0.100 0.000 0.949 184 S N 0.962 116.620 115.700 -0.070 0.000 2.525 184 S HA 0.093 4.564 4.470 0.003 0.000 0.285 184 S C 1.053 175.584 174.600 -0.116 0.000 1.283 184 S CA -0.425 57.746 58.200 -0.047 0.000 1.072 184 S CB -0.252 62.950 63.200 0.004 0.000 0.867 184 S HN 0.392 nan 8.310 nan 0.000 0.492 185 L N 1.162 122.276 121.223 -0.181 0.000 2.556 185 L HA 0.345 4.687 4.340 0.003 0.000 0.226 185 L C 0.379 177.081 176.870 -0.279 0.000 1.089 185 L CA -0.368 54.256 54.840 -0.360 0.000 0.864 185 L CB 0.005 41.618 42.059 -0.744 0.000 1.067 185 L HN 0.618 nan 8.230 nan 0.000 0.477 186 W N 1.904 123.155 121.300 -0.082 0.000 2.238 186 W HA 0.309 4.969 4.660 -0.001 0.000 0.321 186 W C 0.460 176.926 176.519 -0.088 0.000 1.293 186 W CA -0.277 57.043 57.345 -0.042 0.000 1.204 186 W CB 0.652 30.116 29.460 0.007 0.000 1.167 186 W HN -0.131 nan 8.180 nan 0.000 0.553 187 R N 2.163 122.722 120.500 0.099 0.000 2.854 187 R HA 0.922 5.264 4.340 0.003 0.000 0.271 187 R C -1.045 175.109 176.300 -0.243 0.000 0.994 187 R CA -1.413 54.614 56.100 -0.121 0.000 0.945 187 R CB 1.510 31.649 30.300 -0.267 0.000 1.194 187 R HN 0.496 nan 8.270 nan 0.000 0.476 188 A N 1.314 124.003 122.820 -0.219 0.000 2.547 188 A HA 0.758 5.080 4.320 0.003 0.000 0.297 188 A C -1.480 176.054 177.584 -0.084 0.000 1.056 188 A CA -0.841 50.983 52.037 -0.356 0.000 0.688 188 A CB 1.335 19.964 19.000 -0.618 0.000 1.282 188 A HN 0.654 nan 8.150 nan 0.000 0.400 189 F N -0.341 119.508 119.950 -0.168 0.000 2.631 189 F HA 0.851 5.379 4.527 0.002 0.000 0.308 189 F C -0.392 175.427 175.800 0.032 0.000 1.097 189 F CA -0.710 57.268 58.000 -0.036 0.000 0.952 189 F CB 1.338 40.354 39.000 0.027 0.000 1.307 189 F HN 0.371 nan 8.300 nan 0.000 0.450 190 S N 1.335 117.135 115.700 0.166 0.000 2.608 190 S HA 0.949 5.421 4.470 0.003 0.000 0.291 190 S C -0.625 174.148 174.600 0.289 0.000 1.146 190 S CA -0.265 57.987 58.200 0.087 0.000 1.043 190 S CB 1.517 64.744 63.200 0.044 0.000 1.037 190 S HN 1.120 nan 8.310 nan 0.000 0.520 191 A N 2.255 125.230 122.820 0.258 0.000 2.594 191 A HA 0.703 5.025 4.320 0.003 0.000 0.295 191 A C -1.201 176.558 177.584 0.292 0.000 1.071 191 A CA -0.909 51.339 52.037 0.352 0.000 0.685 191 A CB 1.243 20.591 19.000 0.581 0.000 1.285 191 A HN 0.732 nan 8.150 nan 0.000 0.405 192 R N 0.893 121.539 120.500 0.243 0.000 2.295 192 R HA 0.638 4.980 4.340 0.003 0.000 0.324 192 R C -1.262 175.187 176.300 0.248 0.000 0.968 192 R CA -0.212 56.011 56.100 0.206 0.000 0.837 192 R CB 1.247 31.619 30.300 0.120 0.000 1.133 192 R HN 0.618 nan 8.270 nan 0.000 0.450 193 I N 4.518 125.287 120.570 0.330 0.000 2.418 193 I HA 0.166 4.338 4.170 0.003 0.000 0.287 193 I C 0.395 176.654 176.117 0.236 0.000 1.008 193 I CA -0.741 60.725 61.300 0.277 0.000 1.104 193 I CB 1.646 39.809 38.000 0.272 0.000 1.264 193 I HN 0.641 nan 8.210 nan 0.000 0.438 194 L N 6.802 128.109 121.223 0.140 0.000 3.660 194 L HA -0.291 4.051 4.340 0.003 0.000 0.440 194 L C 1.190 178.115 176.870 0.092 0.000 1.262 194 L CA 0.771 55.671 54.840 0.100 0.000 0.837 194 L CB -1.822 40.292 42.059 0.091 0.000 1.689 194 L HN 1.173 nan 8.230 nan 0.000 0.890 195 G N -1.895 106.954 108.800 0.082 0.000 2.184 195 G HA2 -0.113 3.849 3.960 0.003 0.000 0.264 195 G HA3 -0.113 3.849 3.960 0.003 0.000 0.264 195 G C 0.249 175.163 174.900 0.023 0.000 0.975 195 G CA 0.233 45.362 45.100 0.048 0.000 0.642 195 G HN 1.453 nan 8.290 nan 0.000 0.536 196 A N -0.413 122.430 122.820 0.038 0.000 2.355 196 A HA 0.782 5.104 4.320 0.003 0.000 0.324 196 A C -0.090 177.384 177.584 -0.183 0.000 1.117 196 A CA -0.470 51.503 52.037 -0.107 0.000 0.785 196 A CB 1.263 20.156 19.000 -0.178 0.000 1.254 196 A HN 0.214 nan 8.150 nan 0.000 0.453 197 E N 0.243 120.249 120.200 -0.323 0.000 2.266 197 E HA 0.511 4.863 4.350 0.003 0.000 0.277 197 E C -1.666 174.594 176.600 -0.567 0.000 1.018 197 E CA 0.121 56.362 56.400 -0.266 0.000 0.840 197 E CB 1.233 30.838 29.700 -0.157 0.000 1.082 197 E HN 0.565 nan 8.360 nan 0.000 0.395 198 Y N -0.289 119.915 120.300 -0.160 0.000 2.524 198 Y HA 0.268 4.820 4.550 0.002 0.000 0.347 198 Y C -0.061 175.556 175.900 -0.471 0.000 1.005 198 Y CA -0.802 57.071 58.100 -0.379 0.000 1.025 198 Y CB 2.366 40.445 38.460 -0.636 0.000 1.275 198 Y HN 0.192 nan 8.280 nan 0.000 0.460 199 T N 3.567 117.905 114.554 -0.359 0.000 2.864 199 T HA 0.466 4.817 4.350 0.003 0.000 0.310 199 T C -0.988 173.432 174.700 -0.466 0.000 1.040 199 T CA -0.574 61.309 62.100 -0.362 0.000 0.977 199 T CB -0.229 68.539 68.868 -0.166 0.000 0.976 199 T HN 0.210 nan 8.240 nan 0.000 0.459 200 F N 2.383 122.029 119.950 -0.507 0.000 2.384 200 F HA 0.474 5.002 4.527 0.002 0.000 0.338 200 F C 0.906 176.414 175.800 -0.487 0.000 1.103 200 F CA -0.535 57.190 58.000 -0.457 0.000 1.157 200 F CB 0.776 39.270 39.000 -0.843 0.000 1.167 200 F HN 0.523 nan 8.300 nan 0.000 0.529 201 H N 0.225 119.326 119.070 0.051 0.000 2.538 201 H HA 0.569 5.125 4.556 0.000 0.000 0.353 201 H C -1.001 174.541 175.328 0.356 0.000 1.109 201 H CA -0.825 55.286 56.048 0.106 0.000 1.192 201 H CB 1.348 31.147 29.762 0.062 0.000 1.555 201 H HN 0.653 nan 8.280 nan 0.000 0.518 202 H N 0.564 119.931 119.070 0.494 0.000 3.064 202 H HA 0.491 5.050 4.556 0.005 0.000 0.352 202 H C -1.627 173.700 175.328 -0.002 0.000 1.260 202 H CA -0.950 55.275 56.048 0.294 0.000 1.160 202 H CB 0.555 30.385 29.762 0.113 0.000 1.879 202 H HN 0.417 nan 8.280 nan 0.000 0.544 203 L N 1.184 122.360 121.223 -0.078 0.000 2.472 203 L HA 0.540 4.882 4.340 0.003 0.000 0.256 203 L C -2.025 174.886 176.870 0.070 0.000 1.111 203 L CA -2.270 52.390 54.840 -0.300 0.000 0.800 203 L CB 0.836 42.680 42.059 -0.360 0.000 1.286 203 L HN 0.514 nan 8.230 nan 0.000 0.479 204 P HA 0.128 nan 4.420 nan 0.000 0.272 204 P C 0.411 177.927 177.300 0.359 0.000 1.230 204 P CA 0.481 63.674 63.100 0.155 0.000 0.788 204 P CB 0.669 32.379 31.700 0.016 0.000 0.949 205 G N -0.119 108.827 108.800 0.245 0.000 2.205 205 G HA2 -0.231 3.731 3.960 0.003 0.000 0.261 205 G HA3 -0.231 3.731 3.960 0.003 0.000 0.261 205 G C 0.241 175.165 174.900 0.039 0.000 0.980 205 G CA 0.236 45.394 45.100 0.096 0.000 0.632 205 G HN 0.691 nan 8.290 nan 0.000 0.533 206 V N -1.135 118.826 119.914 0.078 0.000 2.963 206 V HA 0.693 4.814 4.120 0.003 0.000 0.306 206 V C 0.938 177.083 176.094 0.084 0.000 1.077 206 V CA -0.688 61.678 62.300 0.109 0.000 1.124 206 V CB 0.943 32.880 31.823 0.190 0.000 0.987 206 V HN 0.971 nan 8.190 nan 0.000 0.487 207 F N 3.709 123.654 119.950 -0.009 0.000 2.518 207 F HA 0.400 4.928 4.527 0.003 0.000 0.359 207 F C 1.326 177.128 175.800 0.003 0.000 1.118 207 F CA 0.929 58.904 58.000 -0.043 0.000 1.287 207 F CB 0.455 39.409 39.000 -0.078 0.000 1.132 207 F HN 1.120 nan 8.300 nan 0.000 0.587 208 S N 3.471 118.584 115.700 -0.979 0.000 3.628 208 S HA -0.190 4.282 4.470 0.003 0.000 0.373 208 S C -0.110 174.343 174.600 -0.245 0.000 0.968 208 S CA 0.065 57.837 58.200 -0.714 0.000 1.215 208 S CB -1.713 60.975 63.200 -0.853 0.000 0.912 208 S HN 1.451 nan 8.310 nan 0.000 0.495 209 A N 0.888 123.538 122.820 -0.285 0.000 2.462 209 A HA 0.559 4.880 4.320 0.003 0.000 0.243 209 A C 1.872 179.282 177.584 -0.291 0.000 1.076 209 A CA 0.515 52.292 52.037 -0.433 0.000 0.773 209 A CB -0.486 18.302 19.000 -0.352 0.000 1.010 209 A HN 2.297 nan 8.150 nan 0.000 0.493 210 G N 0.938 109.629 108.800 -0.181 0.000 2.205 210 G HA2 -0.245 3.717 3.960 0.003 0.000 0.261 210 G HA3 -0.245 3.717 3.960 0.003 0.000 0.261 210 G C 0.099 174.197 174.900 -1.336 0.000 0.980 210 G CA 1.050 45.850 45.100 -0.501 0.000 0.632 210 G HN 1.794 nan 8.290 nan 0.000 0.533 211 K N -1.477 118.182 120.400 -1.233 0.000 2.587 211 K HA 0.652 4.974 4.320 0.003 0.000 0.276 211 K C -0.780 175.667 176.600 -0.254 0.000 0.956 211 K CA -1.034 54.731 56.287 -0.870 0.000 0.857 211 K CB 1.607 33.875 32.500 -0.387 0.000 1.431 211 K HN 0.306 nan 8.250 nan 0.000 0.420 212 V N 1.871 121.816 119.914 0.052 0.000 2.470 212 V HA 0.019 4.140 4.120 0.003 0.000 0.276 212 V C 0.021 176.118 176.094 0.006 0.000 1.040 212 V CA -0.021 62.346 62.300 0.112 0.000 1.008 212 V CB 0.693 32.620 31.823 0.173 0.000 0.990 212 V HN 0.854 nan 8.190 nan 0.000 0.477 213 D N 6.340 126.722 120.400 -0.029 0.000 2.455 213 D HA 0.109 4.751 4.640 0.003 0.000 0.241 213 D C -1.469 174.808 176.300 -0.038 0.000 1.138 213 D CA -0.969 53.006 54.000 -0.041 0.000 0.877 213 D CB 1.445 42.271 40.800 0.043 0.000 1.187 213 D HN 0.279 nan 8.370 nan 0.000 0.451 214 P HA -0.179 nan 4.420 nan 0.000 0.216 214 P C 0.733 177.959 177.300 -0.122 0.000 1.150 214 P CA 1.508 64.609 63.100 0.002 0.000 0.843 214 P CB 0.107 31.894 31.700 0.145 0.000 0.787 215 A N -0.824 121.724 122.820 -0.454 0.000 1.898 215 A HA -0.154 4.168 4.320 0.003 0.000 0.216 215 A C 2.316 179.746 177.584 -0.256 0.000 1.181 215 A CA 2.046 53.703 52.037 -0.633 0.000 0.620 215 A CB -1.427 16.883 19.000 -1.151 0.000 0.819 215 A HN 0.130 nan 8.150 nan 0.000 0.442 216 S N -0.392 115.208 115.700 -0.166 0.000 2.368 216 S HA -0.135 4.337 4.470 0.003 0.000 0.225 216 S C 1.843 176.398 174.600 -0.076 0.000 1.030 216 S CA 1.402 59.540 58.200 -0.103 0.000 0.999 216 S CB -0.422 62.734 63.200 -0.074 0.000 0.844 216 S HN 0.468 nan 8.310 nan 0.000 0.459 217 L N 1.460 122.653 121.223 -0.049 0.000 2.046 217 L HA 0.030 4.371 4.340 0.003 0.000 0.208 217 L C 2.033 178.892 176.870 -0.018 0.000 1.077 217 L CA 1.398 56.231 54.840 -0.013 0.000 0.747 217 L CB -0.768 41.304 42.059 0.022 0.000 0.896 217 L HN 0.208 nan 8.230 nan 0.000 0.432 218 L N -0.937 120.273 121.223 -0.022 0.000 2.042 218 L HA -0.207 4.135 4.340 0.003 0.000 0.210 218 L C 2.394 179.251 176.870 -0.022 0.000 1.076 218 L CA 1.817 56.656 54.840 -0.002 0.000 0.749 218 L CB -0.726 41.348 42.059 0.026 0.000 0.893 218 L HN 0.397 nan 8.230 nan 0.000 0.432 219 L N -1.583 119.608 121.223 -0.054 0.000 2.017 219 L HA -0.225 4.116 4.340 0.003 0.000 0.208 219 L C 2.382 179.177 176.870 -0.125 0.000 1.073 219 L CA 1.395 56.193 54.840 -0.070 0.000 0.745 219 L CB -0.177 41.828 42.059 -0.091 0.000 0.894 219 L HN 0.242 nan 8.230 nan 0.000 0.432 220 L N -0.374 120.780 121.223 -0.114 0.000 2.083 220 L HA -0.231 4.111 4.340 0.003 0.000 0.209 220 L C 2.530 179.340 176.870 -0.100 0.000 1.083 220 L CA 1.508 56.272 54.840 -0.126 0.000 0.752 220 L CB -0.611 41.404 42.059 -0.073 0.000 0.899 220 L HN 0.350 nan 8.230 nan 0.000 0.433 221 E N 0.162 120.330 120.200 -0.053 0.000 2.077 221 E HA -0.203 4.149 4.350 0.003 0.000 0.193 221 E C 2.310 178.888 176.600 -0.037 0.000 0.989 221 E CA 1.144 57.526 56.400 -0.029 0.000 0.800 221 E CB -0.177 29.521 29.700 -0.002 0.000 0.746 221 E HN 0.510 nan 8.360 nan 0.000 0.452 222 A N 1.382 124.180 122.820 -0.037 0.000 1.930 222 A HA -0.115 4.207 4.320 0.003 0.000 0.217 222 A C 2.178 179.741 177.584 -0.036 0.000 1.175 222 A CA 0.781 52.818 52.037 -0.000 0.000 0.627 222 A CB -0.547 18.492 19.000 0.064 0.000 0.815 222 A HN 0.260 nan 8.150 nan 0.000 0.443 223 L N -0.747 120.328 121.223 -0.245 0.000 2.046 223 L HA -0.222 4.120 4.340 0.003 0.000 0.208 223 L C 2.691 179.434 176.870 -0.213 0.000 1.077 223 L CA 2.203 56.717 54.840 -0.544 0.000 0.747 223 L CB -0.318 41.206 42.059 -0.891 0.000 0.896 223 L HN 0.592 nan 8.230 nan 0.000 0.432 224 Q N -0.511 119.207 119.800 -0.136 0.000 2.167 224 Q HA -0.288 4.054 4.340 0.003 0.000 0.202 224 Q C 2.033 178.017 176.000 -0.026 0.000 0.970 224 Q CA 1.753 57.519 55.803 -0.061 0.000 0.855 224 Q CB 0.029 28.744 28.738 -0.038 0.000 0.911 224 Q HN 0.513 nan 8.270 nan 0.000 0.438 225 E N 0.392 120.578 120.200 -0.022 0.000 2.150 225 E HA -0.205 4.147 4.350 0.003 0.000 0.193 225 E C 1.809 178.406 176.600 -0.004 0.000 0.985 225 E CA 1.336 57.730 56.400 -0.009 0.000 0.814 225 E CB -0.026 29.669 29.700 -0.009 0.000 0.752 225 E HN 0.222 nan 8.360 nan 0.000 0.466 226 R N -0.389 120.120 120.500 0.016 0.000 2.112 226 R HA 0.175 4.517 4.340 0.003 0.000 0.216 226 R C 1.698 178.033 176.300 0.058 0.000 1.080 226 R CA 1.309 57.424 56.100 0.025 0.000 0.996 226 R CB -0.126 30.222 30.300 0.079 0.000 0.902 226 R HN 0.327 nan 8.270 nan 0.000 0.449 227 L N -0.758 120.509 121.223 0.073 0.000 2.609 227 L HA 0.459 4.801 4.340 0.003 0.000 0.230 227 L C 0.538 177.433 176.870 0.041 0.000 1.087 227 L CA -0.020 54.867 54.840 0.078 0.000 0.874 227 L CB 0.324 42.448 42.059 0.109 0.000 1.114 227 L HN 0.432 nan 8.230 nan 0.000 0.488 228 G N 1.041 109.852 108.800 0.019 0.000 2.699 228 G HA2 -0.152 3.809 3.960 0.003 0.000 0.686 228 G HA3 -0.152 3.809 3.960 0.003 0.000 0.686 228 G C -2.263 172.643 174.900 0.010 0.000 1.301 228 G CA -0.357 44.752 45.100 0.014 0.000 0.816 228 G HN -0.035 nan 8.290 nan 0.000 0.595 229 P HA -0.013 nan 4.420 nan 0.000 0.225 229 P C 0.790 178.101 177.300 0.020 0.000 1.148 229 P CA 1.572 64.681 63.100 0.014 0.000 0.779 229 P CB 0.189 31.898 31.700 0.017 0.000 0.780 230 E N -1.019 119.195 120.200 0.022 0.000 2.526 230 E HA 0.190 4.542 4.350 0.003 0.000 0.208 230 E C 2.000 178.620 176.600 0.032 0.000 0.997 230 E CA 0.107 56.522 56.400 0.026 0.000 0.961 230 E CB -0.765 28.950 29.700 0.024 0.000 1.030 230 E HN 0.147 nan 8.360 nan 0.000 0.483 231 G N 0.899 109.719 108.800 0.033 0.000 2.479 231 G HA2 -0.227 3.735 3.960 0.003 0.000 0.220 231 G HA3 -0.227 3.735 3.960 0.003 0.000 0.220 231 G C 1.451 176.386 174.900 0.058 0.000 1.115 231 G CA 1.413 46.542 45.100 0.047 0.000 0.757 231 G HN 0.342 nan 8.290 nan 0.000 0.560 232 V N -2.671 117.271 119.914 0.046 0.000 3.578 232 V HA 0.437 4.559 4.120 0.003 0.000 0.290 232 V C 0.975 177.101 176.094 0.054 0.000 1.376 232 V CA -0.513 61.821 62.300 0.056 0.000 1.083 232 V CB -0.412 31.435 31.823 0.041 0.000 0.911 232 V HN 0.179 nan 8.190 nan 0.000 0.433 233 R N 1.463 121.991 120.500 0.046 0.000 2.502 233 R HA 0.374 4.716 4.340 0.003 0.000 0.292 233 R C 1.450 177.777 176.300 0.045 0.000 0.998 233 R CA 1.275 57.400 56.100 0.043 0.000 1.056 233 R CB -0.024 30.298 30.300 0.036 0.000 0.939 233 R HN 0.858 nan 8.270 nan 0.000 0.411 234 G N 3.531 112.359 108.800 0.045 0.000 2.168 234 G HA2 -0.280 3.682 3.960 0.003 0.000 0.263 234 G HA3 -0.280 3.682 3.960 0.003 0.000 0.263 234 G C -0.151 174.780 174.900 0.053 0.000 0.977 234 G CA 0.179 45.305 45.100 0.044 0.000 0.659 234 G HN 0.518 nan 8.290 nan 0.000 0.533 235 R N 0.296 120.836 120.500 0.066 0.000 2.500 235 R HA 0.475 4.817 4.340 0.003 0.000 0.277 235 R C 0.418 176.782 176.300 0.107 0.000 1.026 235 R CA -0.557 55.594 56.100 0.084 0.000 1.058 235 R CB 0.447 30.805 30.300 0.097 0.000 1.078 235 R HN 0.513 nan 8.270 nan 0.000 0.509 236 Q N 1.083 120.961 119.800 0.131 0.000 2.294 236 Q HA 0.349 4.691 4.340 0.003 0.000 0.257 236 Q C -0.576 175.625 176.000 0.334 0.000 0.955 236 Q CA -0.359 55.568 55.803 0.206 0.000 0.936 236 Q CB 1.549 30.360 28.738 0.122 0.000 1.188 236 Q HN 0.187 nan 8.270 nan 0.000 0.420 237 V N 3.813 123.901 119.914 0.289 0.000 2.604 237 V HA 0.398 4.520 4.120 0.003 0.000 0.305 237 V C -0.817 175.243 176.094 -0.056 0.000 1.043 237 V CA -0.896 61.495 62.300 0.150 0.000 0.888 237 V CB 1.820 33.690 31.823 0.078 0.000 0.995 237 V HN 0.559 nan 8.190 nan 0.000 0.429 238 L N 3.724 124.712 121.223 -0.392 0.000 2.305 238 L HA 0.668 5.009 4.340 0.003 0.000 0.284 238 L C -0.683 175.989 176.870 -0.330 0.000 1.013 238 L CA 0.066 54.493 54.840 -0.688 0.000 0.819 238 L CB 1.540 42.743 42.059 -1.427 0.000 1.227 238 L HN 0.691 nan 8.230 nan 0.000 0.417 239 D N 5.325 125.583 120.400 -0.237 0.000 2.454 239 D HA 0.252 4.894 4.640 0.003 0.000 0.225 239 D C -0.775 175.391 176.300 -0.222 0.000 1.081 239 D CA -0.134 53.769 54.000 -0.162 0.000 0.864 239 D CB 0.563 41.306 40.800 -0.094 0.000 1.040 239 D HN 0.526 nan 8.370 nan 0.000 0.517 240 L N 3.607 124.646 121.223 -0.307 0.000 2.385 240 L HA 0.389 4.731 4.340 0.003 0.000 0.281 240 L C 1.342 177.961 176.870 -0.418 0.000 1.106 240 L CA -0.243 54.230 54.840 -0.611 0.000 0.856 240 L CB 0.836 42.276 42.059 -1.032 0.000 1.186 240 L HN 0.737 nan 8.230 nan 0.000 0.453 241 G N 2.799 111.477 108.800 -0.203 0.000 2.401 241 G HA2 -0.205 3.757 3.960 0.003 0.000 0.283 241 G HA3 -0.205 3.757 3.960 0.003 0.000 0.283 241 G C 0.818 175.724 174.900 0.011 0.000 1.117 241 G CA 0.038 45.200 45.100 0.103 0.000 1.051 241 G HN 0.884 nan 8.290 nan 0.000 0.510 242 A N -0.112 122.699 122.820 -0.015 0.000 2.070 242 A HA 0.468 4.790 4.320 0.003 0.000 0.220 242 A C 2.906 180.470 177.584 -0.034 0.000 1.159 242 A CA 2.131 54.153 52.037 -0.026 0.000 0.656 242 A CB -0.544 18.454 19.000 -0.003 0.000 0.800 242 A HN 2.815 nan 8.150 nan 0.000 0.453 243 G N -0.675 108.127 108.800 0.003 0.000 2.582 243 G HA2 -0.394 3.568 3.960 0.003 0.000 0.288 243 G HA3 -0.394 3.568 3.960 0.003 0.000 0.288 243 G C 0.531 175.470 174.900 0.066 0.000 1.247 243 G CA 1.036 46.135 45.100 -0.000 0.000 0.972 243 G HN 1.447 nan 8.290 nan 0.000 0.557 244 Y N 0.304 120.693 120.300 0.148 0.000 2.529 244 Y HA 0.434 4.987 4.550 0.005 0.000 0.290 244 Y C 1.830 177.857 175.900 0.211 0.000 1.177 244 Y CA 0.052 58.277 58.100 0.208 0.000 1.305 244 Y CB -0.516 38.112 38.460 0.280 0.000 1.047 244 Y HN 2.139 nan 8.280 nan 0.000 0.522 245 G N -0.298 108.534 108.800 0.053 0.000 2.145 245 G HA2 -0.163 3.798 3.960 0.003 0.000 0.176 245 G HA3 -0.163 3.798 3.960 0.003 0.000 0.176 245 G C 1.106 176.048 174.900 0.069 0.000 1.013 245 G CA -0.019 45.160 45.100 0.130 0.000 0.689 245 G HN 0.881 nan 8.290 nan 0.000 0.506 246 A N -0.518 122.124 122.820 -0.297 0.000 1.948 246 A HA 0.170 4.491 4.320 0.003 0.000 0.220 246 A C 2.355 179.872 177.584 -0.113 0.000 1.177 246 A CA 1.980 53.816 52.037 -0.336 0.000 0.636 246 A CB -0.209 18.555 19.000 -0.393 0.000 0.815 246 A HN 0.894 nan 8.150 nan 0.000 0.449 247 L N -1.888 119.277 121.223 -0.097 0.000 2.316 247 L HA -0.016 4.326 4.340 0.003 0.000 0.207 247 L C 2.615 179.462 176.870 -0.038 0.000 1.070 247 L CA 1.104 55.900 54.840 -0.072 0.000 0.820 247 L CB -0.785 41.225 42.059 -0.082 0.000 0.992 247 L HN 0.286 nan 8.230 nan 0.000 0.466 248 T N 0.895 115.444 114.554 -0.008 0.000 2.684 248 T HA -0.172 4.180 4.350 0.003 0.000 0.267 248 T C 1.929 176.656 174.700 0.045 0.000 1.036 248 T CA 1.360 63.475 62.100 0.025 0.000 1.148 248 T CB -0.253 68.646 68.868 0.052 0.000 0.863 248 T HN 0.010 nan 8.240 nan 0.000 0.436 249 L N 1.160 122.428 121.223 0.074 0.000 2.017 249 L HA 0.015 4.357 4.340 0.003 0.000 0.208 249 L C -0.573 176.288 176.870 -0.016 0.000 1.073 249 L CA 1.930 56.800 54.840 0.050 0.000 0.745 249 L CB -1.529 40.557 42.059 0.045 0.000 0.894 249 L HN 0.185 nan 8.230 nan 0.000 0.432 250 P HA -0.153 nan 4.420 nan 0.000 0.215 250 P C 2.052 179.378 177.300 0.043 0.000 1.153 250 P CA 1.304 64.352 63.100 -0.088 0.000 0.853 250 P CB 0.044 31.649 31.700 -0.158 0.000 0.788 251 L N -1.247 119.981 121.223 0.008 0.000 2.083 251 L HA -0.155 4.186 4.340 0.003 0.000 0.209 251 L C 2.448 179.347 176.870 0.048 0.000 1.083 251 L CA 1.513 56.364 54.840 0.019 0.000 0.752 251 L CB -1.114 40.944 42.059 -0.001 0.000 0.899 251 L HN -0.039 nan 8.230 nan 0.000 0.433 252 A N 0.196 123.053 122.820 0.061 0.000 1.898 252 A HA -0.228 4.094 4.320 0.003 0.000 0.216 252 A C 2.341 179.974 177.584 0.083 0.000 1.181 252 A CA 1.620 53.699 52.037 0.071 0.000 0.620 252 A CB -0.441 18.605 19.000 0.075 0.000 0.819 252 A HN 0.284 nan 8.150 nan 0.000 0.442 253 R N -0.077 120.496 120.500 0.122 0.000 2.120 253 R HA 0.031 4.372 4.340 0.003 0.000 0.234 253 R C 1.679 178.034 176.300 0.092 0.000 1.123 253 R CA 1.853 58.032 56.100 0.132 0.000 0.975 253 R CB -0.678 29.773 30.300 0.253 0.000 0.866 253 R HN 0.532 nan 8.270 nan 0.000 0.446 254 M N -0.979 118.673 119.600 0.086 0.000 2.659 254 M HA 0.176 4.658 4.480 0.003 0.000 0.243 254 M C 0.837 177.166 176.300 0.048 0.000 1.111 254 M CA 1.013 56.349 55.300 0.060 0.000 1.070 254 M CB 0.492 33.121 32.600 0.049 0.000 1.525 254 M HN 0.480 nan 8.290 nan 0.000 0.517 255 G N 0.239 109.070 108.800 0.050 0.000 2.176 255 G HA2 -0.173 3.789 3.960 0.003 0.000 0.232 255 G HA3 -0.173 3.789 3.960 0.003 0.000 0.232 255 G C 0.162 175.091 174.900 0.048 0.000 0.986 255 G CA -0.070 45.056 45.100 0.044 0.000 0.643 255 G HN 0.668 nan 8.290 nan 0.000 0.522 256 A N -0.115 122.737 122.820 0.053 0.000 2.332 256 A HA 0.665 4.986 4.320 0.003 0.000 0.258 256 A C 0.337 177.961 177.584 0.066 0.000 1.087 256 A CA 0.077 52.150 52.037 0.061 0.000 0.802 256 A CB 0.392 19.429 19.000 0.061 0.000 1.042 256 A HN 0.409 nan 8.150 nan 0.000 0.489 257 E N 0.784 121.031 120.200 0.078 0.000 1.993 257 E HA 0.396 4.748 4.350 0.003 0.000 0.271 257 E C -1.092 175.575 176.600 0.112 0.000 1.008 257 E CA -0.289 56.161 56.400 0.084 0.000 0.814 257 E CB 1.018 30.764 29.700 0.078 0.000 1.098 257 E HN 0.395 nan 8.360 nan 0.000 0.407 258 V N 3.189 123.159 119.914 0.092 0.000 2.539 258 V HA 0.293 4.415 4.120 0.003 0.000 0.292 258 V C 0.084 176.231 176.094 0.090 0.000 1.045 258 V CA -0.799 61.552 62.300 0.085 0.000 0.945 258 V CB 1.731 33.586 31.823 0.052 0.000 0.993 258 V HN 0.291 nan 8.190 nan 0.000 0.464 259 V N 3.324 123.285 119.914 0.077 0.000 2.407 259 V HA 0.702 4.823 4.120 0.003 0.000 0.291 259 V C 0.549 176.628 176.094 -0.025 0.000 1.018 259 V CA -0.283 62.059 62.300 0.069 0.000 0.842 259 V CB 1.646 33.573 31.823 0.173 0.000 0.996 259 V HN 1.014 nan 8.190 nan 0.000 0.426 260 G N 3.606 112.406 108.800 0.002 0.000 2.372 260 G HA2 0.648 4.610 3.960 0.003 0.000 0.323 260 G HA3 0.648 4.610 3.960 0.003 0.000 0.323 260 G C -0.641 174.253 174.900 -0.009 0.000 1.152 260 G CA -0.512 44.574 45.100 -0.023 0.000 0.906 260 G HN 0.880 nan 8.290 nan 0.000 0.460 261 V N -0.117 119.767 119.914 -0.049 0.000 2.513 261 V HA 0.895 5.017 4.120 0.003 0.000 0.299 261 V C -0.764 175.343 176.094 0.022 0.000 1.035 261 V CA -1.176 61.118 62.300 -0.010 0.000 0.889 261 V CB 1.594 33.386 31.823 -0.053 0.000 0.988 261 V HN 0.742 nan 8.190 nan 0.000 0.440 262 E N 2.232 122.492 120.200 0.100 0.000 2.304 262 E HA 0.349 4.700 4.350 0.003 0.000 0.277 262 E C -0.273 176.467 176.600 0.234 0.000 0.898 262 E CA -0.284 56.203 56.400 0.145 0.000 0.764 262 E CB 2.254 32.029 29.700 0.125 0.000 1.216 262 E HN 0.787 nan 8.360 nan 0.000 0.419 263 D N 2.361 122.895 120.400 0.223 0.000 2.234 263 D HA -0.055 4.587 4.640 0.003 0.000 0.205 263 D C -0.294 176.204 176.300 0.330 0.000 0.962 263 D CA 0.593 54.739 54.000 0.242 0.000 0.855 263 D CB 0.328 41.238 40.800 0.184 0.000 0.951 263 D HN 0.437 nan 8.370 nan 0.000 0.500 264 D N -0.309 120.223 120.400 0.220 0.000 2.295 264 D HA 0.031 4.673 4.640 0.003 0.000 0.248 264 D C 1.074 177.372 176.300 -0.004 0.000 1.154 264 D CA -0.427 53.654 54.000 0.135 0.000 0.857 264 D CB 0.935 41.781 40.800 0.076 0.000 1.117 264 D HN -0.049 nan 8.370 nan 0.000 0.468 265 L N 5.089 126.209 121.223 -0.172 0.000 2.042 265 L HA -0.075 4.267 4.340 0.003 0.000 0.210 265 L C 2.001 178.792 176.870 -0.131 0.000 1.076 265 L CA 2.377 56.961 54.840 -0.427 0.000 0.749 265 L CB -0.821 41.004 42.059 -0.389 0.000 0.893 265 L HN 0.600 nan 8.230 nan 0.000 0.432 266 A N -1.648 121.173 122.820 0.001 0.000 1.940 266 A HA -0.200 4.122 4.320 0.003 0.000 0.219 266 A C 2.384 180.046 177.584 0.130 0.000 1.176 266 A CA 2.067 54.171 52.037 0.112 0.000 0.631 266 A CB -0.894 18.270 19.000 0.273 0.000 0.814 266 A HN 0.548 nan 8.150 nan 0.000 0.446 267 S N -0.602 115.171 115.700 0.122 0.000 2.387 267 S HA -0.082 4.390 4.470 0.003 0.000 0.226 267 S C 1.859 176.559 174.600 0.167 0.000 1.026 267 S CA 1.203 59.506 58.200 0.171 0.000 0.972 267 S CB -0.338 62.948 63.200 0.144 0.000 0.814 267 S HN 0.345 nan 8.310 nan 0.000 0.477 268 V N 2.323 122.290 119.914 0.088 0.000 2.295 268 V HA -0.143 3.979 4.120 0.003 0.000 0.246 268 V C 2.139 178.314 176.094 0.135 0.000 1.049 268 V CA 1.508 63.857 62.300 0.081 0.000 1.024 268 V CB -0.711 31.096 31.823 -0.027 0.000 0.648 268 V HN 0.432 nan 8.190 nan 0.000 0.447 269 L N -0.339 120.971 121.223 0.144 0.000 2.141 269 L HA -0.127 4.215 4.340 0.003 0.000 0.209 269 L C 2.590 179.718 176.870 0.431 0.000 1.094 269 L CA 1.381 56.373 54.840 0.253 0.000 0.763 269 L CB -0.624 41.590 42.059 0.257 0.000 0.908 269 L HN 0.297 nan 8.230 nan 0.000 0.437 270 S N 0.256 116.207 115.700 0.419 0.000 2.356 270 S HA -0.170 4.302 4.470 0.003 0.000 0.223 270 S C 1.855 176.734 174.600 0.465 0.000 1.032 270 S CA 1.238 59.778 58.200 0.566 0.000 1.005 270 S CB -0.348 63.151 63.200 0.498 0.000 0.867 270 S HN 0.263 nan 8.310 nan 0.000 0.449 271 L N 2.105 123.541 121.223 0.355 0.000 2.012 271 L HA -0.145 4.197 4.340 0.003 0.000 0.210 271 L C 2.199 179.199 176.870 0.217 0.000 1.073 271 L CA 1.794 56.807 54.840 0.288 0.000 0.748 271 L CB -0.954 41.230 42.059 0.208 0.000 0.891 271 L HN 0.292 nan 8.230 nan 0.000 0.431 272 Q N -0.526 119.386 119.800 0.186 0.000 2.084 272 Q HA -0.276 4.065 4.340 0.003 0.000 0.202 272 Q C 2.290 178.331 176.000 0.069 0.000 0.978 272 Q CA 2.004 57.879 55.803 0.120 0.000 0.844 272 Q CB -0.294 28.511 28.738 0.112 0.000 0.898 272 Q HN 0.540 nan 8.270 nan 0.000 0.426 273 K N 0.320 120.768 120.400 0.080 0.000 2.097 273 K HA -0.111 4.211 4.320 0.003 0.000 0.205 273 K C 2.087 178.602 176.600 -0.143 0.000 1.050 273 K CA 1.219 57.431 56.287 -0.124 0.000 0.938 273 K CB -0.260 32.044 32.500 -0.326 0.000 0.718 273 K HN 0.252 nan 8.250 nan 0.000 0.442 274 G N 1.462 110.305 108.800 0.071 0.000 2.421 274 G HA2 -0.231 3.731 3.960 0.003 0.000 0.216 274 G HA3 -0.231 3.731 3.960 0.003 0.000 0.216 274 G C 1.480 176.410 174.900 0.050 0.000 1.171 274 G CA 0.754 45.930 45.100 0.127 0.000 0.775 274 G HN 0.200 nan 8.290 nan 0.000 0.543 275 L N 0.099 121.364 121.223 0.071 0.000 2.012 275 L HA -0.107 4.235 4.340 0.003 0.000 0.210 275 L C 2.903 179.771 176.870 -0.003 0.000 1.073 275 L CA 1.536 56.406 54.840 0.049 0.000 0.748 275 L CB -0.375 41.721 42.059 0.062 0.000 0.891 275 L HN 0.213 nan 8.230 nan 0.000 0.431 276 E N 0.752 120.928 120.200 -0.039 0.000 2.058 276 E HA -0.253 4.098 4.350 0.003 0.000 0.194 276 E C 2.141 178.678 176.600 -0.106 0.000 0.997 276 E CA 1.683 58.039 56.400 -0.074 0.000 0.801 276 E CB -0.032 29.606 29.700 -0.103 0.000 0.746 276 E HN 0.419 nan 8.360 nan 0.000 0.450 277 A N 1.084 123.802 122.820 -0.169 0.000 2.019 277 A HA -0.129 4.192 4.320 0.003 0.000 0.219 277 A C 1.766 179.297 177.584 -0.088 0.000 1.164 277 A CA 1.362 53.291 52.037 -0.180 0.000 0.644 277 A CB -0.344 18.456 19.000 -0.332 0.000 0.805 277 A HN 0.269 nan 8.150 nan 0.000 0.449 278 N N -0.668 117.997 118.700 -0.057 0.000 2.235 278 N HA 0.303 5.044 4.740 0.003 0.000 0.209 278 N C 0.428 175.920 175.510 -0.030 0.000 1.122 278 N CA 0.690 53.715 53.050 -0.042 0.000 0.845 278 N CB 0.411 38.895 38.487 -0.005 0.000 1.004 278 N HN 0.531 nan 8.380 nan 0.000 0.499 279 A N 0.836 123.636 122.820 -0.033 0.000 2.687 279 A HA -0.197 4.125 4.320 0.003 0.000 0.299 279 A C -0.197 177.386 177.584 -0.002 0.000 1.497 279 A CA 0.764 52.787 52.037 -0.023 0.000 0.751 279 A CB -2.133 16.849 19.000 -0.030 0.000 1.048 279 A HN 0.341 nan 8.150 nan 0.000 0.464 280 L N -1.400 119.831 121.223 0.013 0.000 2.323 280 L HA 0.817 5.159 4.340 0.003 0.000 0.265 280 L C 0.067 176.958 176.870 0.034 0.000 1.012 280 L CA -1.083 53.779 54.840 0.035 0.000 0.820 280 L CB 2.103 44.202 42.059 0.066 0.000 1.334 280 L HN 0.270 nan 8.230 nan 0.000 0.427 281 K N 1.369 121.793 120.400 0.040 0.000 2.397 281 K HA 0.875 5.197 4.320 0.003 0.000 0.253 281 K C -1.476 175.154 176.600 0.050 0.000 0.932 281 K CA -0.215 56.095 56.287 0.039 0.000 0.795 281 K CB 2.078 34.597 32.500 0.031 0.000 1.159 281 K HN 0.701 nan 8.250 nan 0.000 0.424 282 A N 2.987 125.840 122.820 0.054 0.000 2.601 282 A HA 0.439 4.761 4.320 0.003 0.000 0.291 282 A C -1.649 175.973 177.584 0.063 0.000 1.075 282 A CA -0.846 51.227 52.037 0.061 0.000 0.671 282 A CB 1.236 20.276 19.000 0.065 0.000 1.277 282 A HN 0.617 nan 8.150 nan 0.000 0.417 283 Q N 0.513 120.354 119.800 0.068 0.000 2.322 283 Q HA 0.528 4.870 4.340 0.003 0.000 0.256 283 Q C -0.137 175.904 176.000 0.069 0.000 0.960 283 Q CA -0.186 55.658 55.803 0.069 0.000 0.934 283 Q CB 1.607 30.391 28.738 0.077 0.000 1.200 283 Q HN 0.874 nan 8.270 nan 0.000 0.435 284 A N 5.248 128.112 122.820 0.073 0.000 2.540 284 A HA 0.413 4.734 4.320 0.003 0.000 0.340 284 A C -0.435 177.201 177.584 0.087 0.000 1.424 284 A CA -0.541 51.544 52.037 0.081 0.000 0.940 284 A CB 0.019 19.075 19.000 0.092 0.000 1.149 284 A HN 0.712 nan 8.150 nan 0.000 0.505 285 L N 2.317 123.592 121.223 0.088 0.000 2.312 285 L HA 0.311 4.653 4.340 0.003 0.000 0.281 285 L C 0.583 177.547 176.870 0.157 0.000 1.070 285 L CA -0.495 54.409 54.840 0.105 0.000 0.805 285 L CB 1.167 43.276 42.059 0.083 0.000 1.174 285 L HN 0.733 nan 8.230 nan 0.000 0.434 286 H N 2.766 121.859 119.070 0.039 0.000 2.846 286 H HA 0.334 4.893 4.556 0.004 0.000 0.278 286 H C -0.776 174.580 175.328 0.047 0.000 1.117 286 H CA -0.172 55.899 56.048 0.038 0.000 1.406 286 H CB 0.958 30.725 29.762 0.010 0.000 1.445 286 H HN 0.592 nan 8.280 nan 0.000 0.469 287 S N 4.060 119.810 115.700 0.083 0.000 2.537 287 S HA 0.046 4.518 4.470 0.003 0.000 0.270 287 S C -1.463 173.187 174.600 0.083 0.000 1.142 287 S CA -1.036 57.181 58.200 0.028 0.000 0.870 287 S CB 1.750 64.984 63.200 0.057 0.000 1.112 287 S HN 0.793 nan 8.310 nan 0.000 0.466 288 D N 3.661 124.129 120.400 0.114 0.000 2.422 288 D HA 0.471 5.113 4.640 0.003 0.000 0.227 288 D C 1.267 177.765 176.300 0.330 0.000 1.190 288 D CA 0.451 54.591 54.000 0.233 0.000 0.905 288 D CB -0.410 40.542 40.800 0.254 0.000 1.034 288 D HN 0.541 nan 8.370 nan 0.000 0.507 289 V N 3.326 123.402 119.914 0.271 0.000 0.689 289 V HA -0.408 3.714 4.120 0.003 0.000 0.092 289 V C 1.361 177.524 176.094 0.114 0.000 0.794 289 V CA 1.983 64.395 62.300 0.186 0.000 3.101 289 V CB -1.064 30.867 31.823 0.181 0.000 0.198 289 V HN 0.806 nan 8.190 nan 0.000 0.106 290 D N 0.299 120.795 120.400 0.161 0.000 2.358 290 D HA 0.045 4.686 4.640 0.003 0.000 0.224 290 D C 1.474 177.796 176.300 0.037 0.000 1.123 290 D CA 0.653 54.702 54.000 0.083 0.000 0.833 290 D CB 0.224 41.067 40.800 0.073 0.000 0.946 290 D HN 0.842 nan 8.370 nan 0.000 0.505 291 E N 1.308 121.533 120.200 0.043 0.000 2.130 291 E HA -0.243 4.109 4.350 0.003 0.000 0.196 291 E C 1.574 178.147 176.600 -0.046 0.000 0.998 291 E CA 1.377 57.720 56.400 -0.094 0.000 0.806 291 E CB -0.008 29.690 29.700 -0.004 0.000 0.738 291 E HN 0.328 nan 8.360 nan 0.000 0.459 292 A N 0.930 123.753 122.820 0.006 0.000 2.119 292 A HA 0.097 4.418 4.320 0.003 0.000 0.216 292 A C 1.393 178.992 177.584 0.024 0.000 1.152 292 A CA 0.081 52.127 52.037 0.016 0.000 0.708 292 A CB -0.186 18.834 19.000 0.035 0.000 0.805 292 A HN 0.176 nan 8.150 nan 0.000 0.460 293 L N 0.750 121.992 121.223 0.033 0.000 2.453 293 L HA 0.249 4.591 4.340 0.003 0.000 0.261 293 L C 1.151 178.032 176.870 0.019 0.000 1.179 293 L CA -0.435 54.437 54.840 0.053 0.000 0.813 293 L CB 0.651 42.775 42.059 0.107 0.000 1.110 293 L HN 0.348 nan 8.230 nan 0.000 0.466 294 T N -2.883 111.680 114.554 0.015 0.000 2.813 294 T HA 0.030 4.382 4.350 0.003 0.000 0.297 294 T C 0.866 175.560 174.700 -0.009 0.000 1.036 294 T CA -0.524 61.572 62.100 -0.006 0.000 1.044 294 T CB 1.178 70.036 68.868 -0.015 0.000 0.993 294 T HN 0.720 nan 8.240 nan 0.000 0.535 295 E N 0.444 120.633 120.200 -0.018 0.000 2.153 295 E HA -0.175 4.177 4.350 0.003 0.000 0.194 295 E C 2.103 178.691 176.600 -0.019 0.000 0.988 295 E CA 1.285 57.675 56.400 -0.017 0.000 0.811 295 E CB 0.056 29.744 29.700 -0.020 0.000 0.746 295 E HN 0.861 nan 8.360 nan 0.000 0.466 296 E N 0.287 120.469 120.200 -0.030 0.000 2.442 296 E HA 0.032 4.383 4.350 0.003 0.000 0.195 296 E C 0.332 176.886 176.600 -0.077 0.000 1.030 296 E CA 0.306 56.679 56.400 -0.045 0.000 0.869 296 E CB -0.028 29.644 29.700 -0.045 0.000 0.857 296 E HN 0.102 nan 8.360 nan 0.000 0.505 297 A N 2.239 125.008 122.820 -0.085 0.000 2.566 297 A HA 0.101 4.423 4.320 0.003 0.000 0.245 297 A C 0.079 177.512 177.584 -0.250 0.000 1.056 297 A CA 0.220 52.143 52.037 -0.190 0.000 0.757 297 A CB 0.087 19.022 19.000 -0.108 0.000 0.979 297 A HN 0.110 nan 8.150 nan 0.000 0.508 298 R N 0.812 121.031 120.500 -0.469 0.000 2.867 298 R HA 0.759 5.100 4.340 0.003 0.000 0.268 298 R C -1.468 174.401 176.300 -0.718 0.000 1.014 298 R CA -0.471 55.420 56.100 -0.350 0.000 0.946 298 R CB 1.407 31.619 30.300 -0.147 0.000 1.208 298 R HN 0.638 nan 8.270 nan 0.000 0.477 299 F N -0.871 119.085 119.950 0.011 0.000 2.629 299 F HA 0.339 4.867 4.527 0.003 0.000 0.316 299 F C 1.123 176.946 175.800 0.039 0.000 1.081 299 F CA -0.729 57.286 58.000 0.025 0.000 0.954 299 F CB 1.637 40.653 39.000 0.027 0.000 1.337 299 F HN 0.354 nan 8.300 nan 0.000 0.474 300 D N 0.604 121.153 120.400 0.249 0.000 2.277 300 D HA 0.231 4.873 4.640 0.003 0.000 0.209 300 D C 0.165 176.582 176.300 0.195 0.000 0.970 300 D CA 1.332 55.436 54.000 0.173 0.000 0.874 300 D CB 1.032 41.914 40.800 0.138 0.000 0.982 300 D HN 0.193 nan 8.370 nan 0.000 0.504 301 I N 0.898 121.606 120.570 0.229 0.000 2.656 301 I HA 0.343 4.515 4.170 0.003 0.000 0.292 301 I C -0.914 175.316 176.117 0.187 0.000 1.144 301 I CA -0.636 60.802 61.300 0.231 0.000 1.038 301 I CB 3.088 41.231 38.000 0.238 0.000 1.244 301 I HN -0.326 nan 8.210 nan 0.000 0.420 302 I N 5.953 126.659 120.570 0.227 0.000 2.533 302 I HA 0.558 4.730 4.170 0.003 0.000 0.290 302 I C -0.728 175.583 176.117 0.322 0.000 1.056 302 I CA -0.985 60.418 61.300 0.171 0.000 1.057 302 I CB 2.301 40.367 38.000 0.110 0.000 1.240 302 I HN 0.302 nan 8.210 nan 0.000 0.423 303 V N 1.722 121.731 119.914 0.158 0.000 2.914 303 V HA 0.910 5.032 4.120 0.003 0.000 0.314 303 V C -0.636 175.484 176.094 0.043 0.000 1.084 303 V CA -0.334 62.030 62.300 0.106 0.000 0.963 303 V CB 1.982 33.816 31.823 0.018 0.000 1.025 303 V HN 0.832 nan 8.190 nan 0.000 0.432 304 T N 2.062 116.611 114.554 -0.008 0.000 3.087 304 T HA 0.409 4.761 4.350 0.003 0.000 0.351 304 T C -1.889 172.789 174.700 -0.037 0.000 1.520 304 T CA -0.368 61.738 62.100 0.011 0.000 1.111 304 T CB 1.566 70.523 68.868 0.149 0.000 1.353 304 T HN 1.206 nan 8.240 nan 0.000 0.481 305 N N 4.383 123.071 118.700 -0.021 0.000 2.776 305 N HA 0.476 5.218 4.740 0.003 0.000 0.245 305 N C -2.815 172.685 175.510 -0.016 0.000 1.121 305 N CA -1.639 51.365 53.050 -0.076 0.000 0.852 305 N CB 1.196 39.606 38.487 -0.128 0.000 1.142 305 N HN 0.332 nan 8.380 nan 0.000 0.514 306 P HA 0.225 nan 4.420 nan 0.000 0.269 306 P C -2.444 174.850 177.300 -0.009 0.000 1.215 306 P CA -0.736 62.401 63.100 0.062 0.000 0.780 306 P CB 0.039 31.787 31.700 0.079 0.000 0.898 307 P HA 0.135 nan 4.420 nan 0.000 0.270 307 P C -0.956 176.374 177.300 0.050 0.000 1.223 307 P CA 0.393 63.389 63.100 -0.175 0.000 0.785 307 P CB 0.224 31.781 31.700 -0.240 0.000 0.923 308 F N -2.597 117.323 119.950 -0.050 0.000 2.693 308 F HA 0.501 5.030 4.527 0.003 0.000 0.309 308 F C -1.189 174.664 175.800 0.088 0.000 1.129 308 F CA -1.411 56.610 58.000 0.035 0.000 0.948 308 F CB 0.788 39.831 39.000 0.072 0.000 1.315 308 F HN 0.265 nan 8.300 nan 0.000 0.447 309 H N 1.427 120.604 119.070 0.178 0.000 2.604 309 H HA 0.596 5.154 4.556 0.003 0.000 0.306 309 H C -0.879 174.581 175.328 0.220 0.000 1.075 309 H CA -0.571 55.526 56.048 0.082 0.000 1.357 309 H CB 1.306 31.099 29.762 0.052 0.000 1.426 309 H HN 0.721 nan 8.280 nan 0.000 0.470 310 V N 5.895 125.647 119.914 -0.271 0.000 2.557 310 V HA 0.110 4.231 4.120 0.003 0.000 0.301 310 V C 1.528 177.486 176.094 -0.228 0.000 1.026 310 V CA 1.605 63.849 62.300 -0.093 0.000 1.137 310 V CB 0.344 32.098 31.823 -0.115 0.000 0.917 310 V HN 1.188 nan 8.190 nan 0.000 0.484 311 G N 3.737 112.487 108.800 -0.084 0.000 2.162 311 G HA2 -0.170 3.792 3.960 0.003 0.000 0.260 311 G HA3 -0.170 3.792 3.960 0.003 0.000 0.260 311 G C 0.509 175.343 174.900 -0.110 0.000 0.976 311 G CA 0.032 45.042 45.100 -0.149 0.000 0.655 311 G HN 1.353 nan 8.290 nan 0.000 0.533 312 G N -1.432 107.382 108.800 0.023 0.000 2.477 312 G HA2 0.731 4.693 3.960 0.003 0.000 0.304 312 G HA3 0.731 4.693 3.960 0.003 0.000 0.304 312 G C 0.561 175.484 174.900 0.038 0.000 1.175 312 G CA 0.210 45.389 45.100 0.131 0.000 0.907 312 G HN 1.384 nan 8.290 nan 0.000 0.509 313 A N 0.342 123.189 122.820 0.045 0.000 2.571 313 A HA 0.558 4.880 4.320 0.003 0.000 0.274 313 A C -0.018 177.594 177.584 0.047 0.000 1.196 313 A CA -0.009 52.072 52.037 0.073 0.000 0.957 313 A CB 0.441 19.499 19.000 0.097 0.000 1.150 313 A HN 0.549 nan 8.150 nan 0.000 0.539 314 V N 1.494 121.428 119.914 0.032 0.000 2.448 314 V HA 0.351 4.472 4.120 0.003 0.000 0.295 314 V C -0.069 176.008 176.094 -0.028 0.000 1.025 314 V CA -0.602 61.690 62.300 -0.013 0.000 0.859 314 V CB 1.563 33.373 31.823 -0.022 0.000 0.988 314 V HN 0.400 nan 8.190 nan 0.000 0.431 315 I N 5.266 125.775 120.570 -0.103 0.000 2.598 315 I HA 0.112 4.283 4.170 0.003 0.000 0.284 315 I C 0.282 176.351 176.117 -0.080 0.000 1.140 315 I CA 0.118 61.331 61.300 -0.145 0.000 1.420 315 I CB 0.478 38.276 38.000 -0.337 0.000 1.387 315 I HN 0.411 nan 8.210 nan 0.000 0.553 316 L N 6.119 127.318 121.223 -0.041 0.000 2.467 316 L HA 0.028 4.370 4.340 0.003 0.000 0.270 316 L C 1.331 178.160 176.870 -0.068 0.000 1.205 316 L CA -0.238 54.573 54.840 -0.048 0.000 0.828 316 L CB 0.270 42.302 42.059 -0.044 0.000 1.101 316 L HN 0.602 nan 8.230 nan 0.000 0.479 317 D N 1.193 121.569 120.400 -0.041 0.000 2.133 317 D HA -0.166 4.475 4.640 0.003 0.000 0.192 317 D C 2.034 178.297 176.300 -0.063 0.000 1.001 317 D CA 1.186 55.183 54.000 -0.005 0.000 0.844 317 D CB 0.044 40.885 40.800 0.068 0.000 0.944 317 D HN 0.358 nan 8.370 nan 0.000 0.447 318 V N 1.213 121.064 119.914 -0.104 0.000 2.343 318 V HA -0.244 3.878 4.120 0.003 0.000 0.247 318 V C 2.498 178.269 176.094 -0.539 0.000 1.051 318 V CA 1.797 63.909 62.300 -0.313 0.000 1.036 318 V CB -0.802 30.855 31.823 -0.277 0.000 0.654 318 V HN 0.204 nan 8.190 nan 0.000 0.451 319 A N -0.902 121.672 122.820 -0.410 0.000 1.902 319 A HA -0.277 4.045 4.320 0.003 0.000 0.217 319 A C 2.193 179.759 177.584 -0.031 0.000 1.181 319 A CA 1.861 53.718 52.037 -0.300 0.000 0.623 319 A CB -0.464 18.515 19.000 -0.035 0.000 0.818 319 A HN 0.612 nan 8.150 nan 0.000 0.443 320 Q N -0.765 119.005 119.800 -0.050 0.000 2.124 320 Q HA -0.107 4.234 4.340 0.003 0.000 0.202 320 Q C 2.392 178.382 176.000 -0.018 0.000 0.977 320 Q CA 1.317 57.120 55.803 -0.000 0.000 0.850 320 Q CB -0.362 28.353 28.738 -0.038 0.000 0.901 320 Q HN 0.695 nan 8.270 nan 0.000 0.429 321 A N 0.302 123.036 122.820 -0.143 0.000 1.969 321 A HA -0.162 4.160 4.320 0.003 0.000 0.218 321 A C 1.683 179.267 177.584 0.001 0.000 1.169 321 A CA 0.934 52.832 52.037 -0.232 0.000 0.635 321 A CB -0.560 17.953 19.000 -0.812 0.000 0.810 321 A HN 0.263 nan 8.150 nan 0.000 0.445 322 F N 0.079 119.933 119.950 -0.160 0.000 2.095 322 F HA -0.149 4.379 4.527 0.002 0.000 0.298 322 F C 2.542 178.311 175.800 -0.052 0.000 1.104 322 F CA 1.078 59.035 58.000 -0.073 0.000 1.232 322 F CB -0.983 38.029 39.000 0.019 0.000 0.987 322 F HN 0.047 nan 8.300 nan 0.000 0.475 323 V N 0.294 120.348 119.914 0.233 0.000 2.307 323 V HA -0.283 3.839 4.120 0.003 0.000 0.245 323 V C 2.202 178.260 176.094 -0.060 0.000 1.045 323 V CA 1.888 64.269 62.300 0.136 0.000 1.024 323 V CB -0.698 31.290 31.823 0.275 0.000 0.651 323 V HN 0.282 nan 8.190 nan 0.000 0.449 324 N N 0.289 118.961 118.700 -0.047 0.000 2.120 324 N HA -0.130 4.612 4.740 0.003 0.000 0.188 324 N C 1.749 177.175 175.510 -0.139 0.000 1.024 324 N CA 1.361 54.346 53.050 -0.110 0.000 0.852 324 N CB -0.533 37.912 38.487 -0.071 0.000 1.003 324 N HN 0.364 nan 8.380 nan 0.000 0.424 325 V N 1.466 121.317 119.914 -0.106 0.000 2.427 325 V HA -0.125 3.997 4.120 0.003 0.000 0.248 325 V C 2.404 178.400 176.094 -0.164 0.000 1.051 325 V CA 1.547 63.790 62.300 -0.095 0.000 1.048 325 V CB -0.894 30.891 31.823 -0.065 0.000 0.666 325 V HN 0.276 nan 8.190 nan 0.000 0.456 326 A N 0.256 122.912 122.820 -0.275 0.000 1.883 326 A HA -0.177 4.145 4.320 0.003 0.000 0.217 326 A C 2.433 179.844 177.584 -0.288 0.000 1.186 326 A CA 2.240 54.026 52.037 -0.420 0.000 0.624 326 A CB -0.854 17.476 19.000 -1.118 0.000 0.822 326 A HN 0.572 nan 8.150 nan 0.000 0.444 327 A N -0.475 122.095 122.820 -0.417 0.000 1.933 327 A HA 0.185 4.507 4.320 0.003 0.000 0.218 327 A C 2.419 179.814 177.584 -0.316 0.000 1.175 327 A CA 2.044 53.687 52.037 -0.658 0.000 0.628 327 A CB -0.802 17.579 19.000 -1.032 0.000 0.814 327 A HN 1.063 nan 8.150 nan 0.000 0.444 328 A N -1.098 121.597 122.820 -0.207 0.000 2.016 328 A HA 0.013 4.334 4.320 0.003 0.000 0.217 328 A C 2.078 179.640 177.584 -0.038 0.000 1.162 328 A CA 0.794 52.767 52.037 -0.107 0.000 0.662 328 A CB -0.195 18.761 19.000 -0.073 0.000 0.812 328 A HN 0.337 nan 8.150 nan 0.000 0.450 329 R N -0.699 119.797 120.500 -0.006 0.000 2.300 329 R HA 0.284 4.626 4.340 0.003 0.000 0.199 329 R C -0.054 176.340 176.300 0.157 0.000 0.920 329 R CA -0.013 56.152 56.100 0.108 0.000 1.046 329 R CB -0.436 29.979 30.300 0.192 0.000 0.984 329 R HN 0.404 nan 8.270 nan 0.000 0.493 330 L N 1.947 123.223 121.223 0.088 0.000 2.326 330 L HA 0.230 4.572 4.340 0.003 0.000 0.278 330 L C 0.711 177.628 176.870 0.078 0.000 1.092 330 L CA -0.288 54.623 54.840 0.118 0.000 0.810 330 L CB 0.952 43.090 42.059 0.131 0.000 1.153 330 L HN -0.140 nan 8.230 nan 0.000 0.439 331 R N 3.422 123.969 120.500 0.078 0.000 2.641 331 R HA 0.219 4.561 4.340 0.003 0.000 0.269 331 R C -2.257 174.074 176.300 0.052 0.000 1.074 331 R CA -1.597 54.530 56.100 0.046 0.000 1.133 331 R CB 0.255 30.577 30.300 0.036 0.000 1.029 331 R HN 0.318 nan 8.270 nan 0.000 0.488 332 P HA -0.052 nan 4.420 nan 0.000 0.264 332 P C 0.404 177.734 177.300 0.050 0.000 1.193 332 P CA 1.104 64.230 63.100 0.043 0.000 0.763 332 P CB 0.606 32.324 31.700 0.030 0.000 0.810 333 G N 2.007 110.841 108.800 0.057 0.000 2.217 333 G HA2 -0.174 3.788 3.960 0.003 0.000 0.246 333 G HA3 -0.174 3.788 3.960 0.003 0.000 0.246 333 G C 0.664 175.605 174.900 0.067 0.000 0.990 333 G CA -0.178 44.959 45.100 0.061 0.000 0.627 333 G HN 0.879 nan 8.290 nan 0.000 0.522 334 G N -0.600 108.241 108.800 0.070 0.000 2.606 334 G HA2 0.653 4.615 3.960 0.003 0.000 0.252 334 G HA3 0.653 4.615 3.960 0.003 0.000 0.252 334 G C 0.227 175.142 174.900 0.025 0.000 1.206 334 G CA 0.556 45.705 45.100 0.081 0.000 0.861 334 G HN 1.620 nan 8.290 nan 0.000 0.561 335 V N -1.571 118.357 119.914 0.022 0.000 2.769 335 V HA 0.815 4.937 4.120 0.003 0.000 0.312 335 V C -1.140 174.870 176.094 -0.141 0.000 1.061 335 V CA -1.344 60.837 62.300 -0.198 0.000 0.931 335 V CB 1.792 33.556 31.823 -0.099 0.000 1.010 335 V HN 0.611 nan 8.190 nan 0.000 0.433 336 F N 4.321 123.851 119.950 -0.699 0.000 2.493 336 F HA 0.853 5.382 4.527 0.003 0.000 0.329 336 F C -1.410 174.018 175.800 -0.619 0.000 1.126 336 F CA -2.186 55.520 58.000 -0.489 0.000 0.937 336 F CB 1.659 40.346 39.000 -0.522 0.000 1.146 336 F HN 0.496 nan 8.300 nan 0.000 0.442 337 F N 7.145 126.797 119.950 -0.496 0.000 2.467 337 F HA 0.632 5.160 4.527 0.003 0.000 0.336 337 F C -0.855 174.476 175.800 -0.783 0.000 1.123 337 F CA -0.810 56.905 58.000 -0.476 0.000 0.964 337 F CB 1.849 40.753 39.000 -0.158 0.000 1.136 337 F HN 0.454 nan 8.300 nan 0.000 0.447 338 L N 4.661 125.531 121.223 -0.589 0.000 2.436 338 L HA 0.845 5.187 4.340 0.003 0.000 0.268 338 L C -1.808 174.872 176.870 -0.316 0.000 0.974 338 L CA -0.795 53.714 54.840 -0.552 0.000 0.826 338 L CB 1.965 43.553 42.059 -0.785 0.000 1.291 338 L HN 0.477 nan 8.230 nan 0.000 0.406 339 V N 4.341 124.108 119.914 -0.245 0.000 2.680 339 V HA 0.921 5.043 4.120 0.003 0.000 0.309 339 V C -0.552 175.441 176.094 -0.169 0.000 1.052 339 V CA 0.526 62.729 62.300 -0.162 0.000 0.908 339 V CB 2.154 33.901 31.823 -0.127 0.000 1.001 339 V HN 1.015 nan 8.190 nan 0.000 0.431 340 S N 3.867 119.533 115.700 -0.057 0.000 2.615 340 S HA 0.521 4.993 4.470 0.003 0.000 0.269 340 S C -0.879 173.834 174.600 0.189 0.000 1.161 340 S CA -0.560 57.654 58.200 0.023 0.000 0.817 340 S CB 1.401 64.633 63.200 0.053 0.000 1.131 340 S HN 1.300 nan 8.310 nan 0.000 0.467 341 N N 0.438 119.213 118.700 0.124 0.000 2.415 341 N HA 0.365 5.106 4.740 0.003 0.000 0.248 341 N C -2.184 173.362 175.510 0.059 0.000 1.271 341 N CA -1.150 51.927 53.050 0.043 0.000 0.913 341 N CB -0.301 38.145 38.487 -0.068 0.000 1.129 341 N HN 0.305 nan 8.380 nan 0.000 0.444 342 P HA -0.109 nan 4.420 nan 0.000 0.218 342 P C 0.396 177.624 177.300 -0.121 0.000 1.146 342 P CA 1.180 64.221 63.100 -0.097 0.000 0.813 342 P CB -0.059 31.508 31.700 -0.222 0.000 0.778 343 F N -1.344 118.589 119.950 -0.028 0.000 2.502 343 F HA 0.001 4.529 4.527 0.003 0.000 0.298 343 F C 1.248 177.043 175.800 -0.008 0.000 1.111 343 F CA 0.438 58.429 58.000 -0.015 0.000 1.445 343 F CB -0.494 38.496 39.000 -0.017 0.000 1.081 343 F HN -0.183 nan 8.300 nan 0.000 0.558 344 L N 1.091 122.415 121.223 0.167 0.000 2.290 344 L HA 0.173 4.515 4.340 0.003 0.000 0.284 344 L C 0.531 177.402 176.870 0.001 0.000 1.078 344 L CA -0.360 54.518 54.840 0.064 0.000 0.815 344 L CB 0.841 42.963 42.059 0.104 0.000 1.162 344 L HN -0.086 nan 8.230 nan 0.000 0.435 345 K N 3.888 124.224 120.400 -0.106 0.000 3.006 345 K HA 0.045 4.367 4.320 0.003 0.000 0.265 345 K C 0.203 176.708 176.600 -0.157 0.000 1.279 345 K CA 0.071 56.299 56.287 -0.098 0.000 1.229 345 K CB -0.106 32.347 32.500 -0.078 0.000 1.555 345 K HN 0.504 nan 8.250 nan 0.000 0.300 346 Y N 0.709 120.962 120.300 -0.077 0.000 2.373 346 Y HA -0.174 4.378 4.550 0.003 0.000 0.293 346 Y C 1.776 177.532 175.900 -0.240 0.000 1.129 346 Y CA 0.803 58.839 58.100 -0.106 0.000 1.226 346 Y CB 0.246 38.656 38.460 -0.084 0.000 1.000 346 Y HN 0.351 nan 8.280 nan 0.000 0.549 347 E N 0.459 120.525 120.200 -0.224 0.000 2.049 347 E HA -0.227 4.125 4.350 0.003 0.000 0.198 347 E C -0.474 175.892 176.600 -0.391 0.000 1.007 347 E CA 1.989 57.989 56.400 -0.666 0.000 0.809 347 E CB -1.633 27.794 29.700 -0.456 0.000 0.749 347 E HN 0.363 nan 8.360 nan 0.000 0.450 348 P HA -0.129 nan 4.420 nan 0.000 0.220 348 P C 1.439 178.736 177.300 -0.005 0.000 1.148 348 P CA 0.875 63.958 63.100 -0.027 0.000 0.803 348 P CB 0.171 31.866 31.700 -0.010 0.000 0.782 349 L N -0.359 120.856 121.223 -0.015 0.000 2.072 349 L HA -0.048 4.293 4.340 0.003 0.000 0.205 349 L C 2.529 179.466 176.870 0.113 0.000 1.079 349 L CA 1.565 56.431 54.840 0.044 0.000 0.752 349 L CB -1.412 40.684 42.059 0.062 0.000 0.906 349 L HN -0.188 nan 8.230 nan 0.000 0.436 350 L N -0.784 120.506 121.223 0.111 0.000 2.093 350 L HA -0.188 4.153 4.340 0.003 0.000 0.208 350 L C 2.525 179.577 176.870 0.303 0.000 1.085 350 L CA 1.446 56.445 54.840 0.265 0.000 0.755 350 L CB -0.551 41.562 42.059 0.091 0.000 0.904 350 L HN 0.398 nan 8.230 nan 0.000 0.435 351 E N 0.243 120.565 120.200 0.204 0.000 2.077 351 E HA -0.282 4.070 4.350 0.003 0.000 0.193 351 E C 2.123 178.831 176.600 0.180 0.000 0.989 351 E CA 1.327 57.892 56.400 0.275 0.000 0.800 351 E CB 0.108 29.968 29.700 0.266 0.000 0.746 351 E HN 0.415 nan 8.360 nan 0.000 0.452 352 E N 0.055 120.325 120.200 0.118 0.000 2.047 352 E HA -0.193 4.159 4.350 0.003 0.000 0.191 352 E C 1.769 178.386 176.600 0.028 0.000 0.987 352 E CA 0.896 57.334 56.400 0.063 0.000 0.799 352 E CB 0.200 29.920 29.700 0.034 0.000 0.752 352 E HN 0.010 nan 8.360 nan 0.000 0.449 353 K N -0.453 119.958 120.400 0.018 0.000 2.167 353 K HA -0.040 4.282 4.320 0.003 0.000 0.203 353 K C 1.669 178.078 176.600 -0.319 0.000 1.052 353 K CA 0.827 57.016 56.287 -0.163 0.000 0.956 353 K CB -0.034 32.326 32.500 -0.233 0.000 0.735 353 K HN 0.212 nan 8.250 nan 0.000 0.451 354 F N -0.909 119.058 119.950 0.029 0.000 2.712 354 F HA 0.205 4.734 4.527 0.003 0.000 0.297 354 F C 1.546 177.371 175.800 0.041 0.000 1.114 354 F CA 0.529 58.544 58.000 0.025 0.000 1.305 354 F CB 0.748 39.771 39.000 0.037 0.000 1.086 354 F HN 0.200 nan 8.300 nan 0.000 0.599 355 G N 0.579 109.512 108.800 0.222 0.000 2.258 355 G HA2 0.041 4.003 3.960 0.003 0.000 0.233 355 G HA3 0.041 4.003 3.960 0.003 0.000 0.233 355 G C 0.176 175.181 174.900 0.175 0.000 1.006 355 G CA -0.066 45.127 45.100 0.156 0.000 0.620 355 G HN 0.886 nan 8.290 nan 0.000 0.511 356 A N -1.116 121.844 122.820 0.233 0.000 2.586 356 A HA 0.984 5.306 4.320 0.003 0.000 0.291 356 A C -0.865 176.876 177.584 0.262 0.000 1.062 356 A CA 0.149 52.303 52.037 0.194 0.000 0.666 356 A CB 0.818 19.865 19.000 0.079 0.000 1.281 356 A HN 1.985 nan 8.150 nan 0.000 0.421 357 F N -1.412 118.570 119.950 0.052 0.000 2.779 357 F HA 0.837 5.366 4.527 0.003 0.000 0.316 357 F C -1.053 174.788 175.800 0.067 0.000 1.164 357 F CA -0.734 57.280 58.000 0.024 0.000 0.924 357 F CB 1.080 40.091 39.000 0.018 0.000 1.348 357 F HN 0.647 nan 8.300 nan 0.000 0.467 358 Q N 0.214 120.065 119.800 0.085 0.000 2.456 358 Q HA 0.561 4.902 4.340 0.003 0.000 0.283 358 Q C -1.636 174.481 176.000 0.194 0.000 1.084 358 Q CA -1.284 54.501 55.803 -0.030 0.000 0.801 358 Q CB 2.818 31.576 28.738 0.033 0.000 1.434 358 Q HN 0.742 nan 8.270 nan 0.000 0.419 359 T N 2.112 116.724 114.554 0.098 0.000 2.770 359 T HA 0.324 4.676 4.350 0.003 0.000 0.297 359 T C 0.922 175.652 174.700 0.051 0.000 0.997 359 T CA -0.259 61.924 62.100 0.139 0.000 0.949 359 T CB 0.366 69.323 68.868 0.148 0.000 0.941 359 T HN 0.408 nan 8.240 nan 0.000 0.457 360 L N 1.645 122.900 121.223 0.054 0.000 2.270 360 L HA 0.290 4.631 4.340 0.003 0.000 0.210 360 L C 0.985 177.870 176.870 0.024 0.000 1.104 360 L CA 0.708 55.557 54.840 0.015 0.000 0.804 360 L CB -0.024 42.059 42.059 0.040 0.000 0.937 360 L HN 0.325 nan 8.230 nan 0.000 0.450 361 K N 0.654 121.079 120.400 0.042 0.000 2.542 361 K HA 0.469 4.790 4.320 0.003 0.000 0.259 361 K C -1.355 175.270 176.600 0.041 0.000 0.932 361 K CA -0.358 55.952 56.287 0.037 0.000 0.820 361 K CB 3.363 35.888 32.500 0.042 0.000 1.345 361 K HN -0.223 nan 8.250 nan 0.000 0.432 362 V N -0.949 118.983 119.914 0.029 0.000 2.398 362 V HA 0.862 4.983 4.120 0.003 0.000 0.282 362 V C -0.315 175.787 176.094 0.012 0.000 1.014 362 V CA -0.471 61.841 62.300 0.021 0.000 0.838 362 V CB 0.813 32.643 31.823 0.011 0.000 1.018 362 V HN 0.949 nan 8.190 nan 0.000 0.432 363 A N 3.426 126.257 122.820 0.019 0.000 3.785 363 A HA 0.646 4.968 4.320 0.003 0.000 0.171 363 A C 1.138 178.709 177.584 -0.022 0.000 0.708 363 A CA 0.408 52.451 52.037 0.011 0.000 0.959 363 A CB 0.262 19.285 19.000 0.040 0.000 1.828 363 A HN 0.680 nan 8.150 nan 0.000 0.804 364 E N -1.601 118.591 120.200 -0.014 0.000 2.160 364 E HA -0.117 4.235 4.350 0.003 0.000 0.195 364 E C -0.546 175.828 176.600 -0.375 0.000 0.991 364 E CA 1.256 57.568 56.400 -0.147 0.000 0.810 364 E CB -0.102 29.568 29.700 -0.050 0.000 0.742 364 E HN 0.476 nan 8.360 nan 0.000 0.466 365 Y N -0.716 119.577 120.300 -0.011 0.000 2.634 365 Y HA 0.307 4.858 4.550 0.003 0.000 0.340 365 Y C -0.626 175.261 175.900 -0.021 0.000 1.058 365 Y CA -1.206 56.879 58.100 -0.025 0.000 1.081 365 Y CB 1.523 39.964 38.460 -0.032 0.000 1.295 365 Y HN -0.245 nan 8.280 nan 0.000 0.487 366 K N 0.302 120.788 120.400 0.142 0.000 2.270 366 K HA 0.803 5.124 4.320 0.003 0.000 0.255 366 K C -1.818 174.815 176.600 0.054 0.000 0.936 366 K CA -0.838 55.495 56.287 0.076 0.000 0.809 366 K CB 2.039 34.569 32.500 0.049 0.000 1.131 366 K HN 0.355 nan 8.250 nan 0.000 0.427 367 V N 4.820 124.764 119.914 0.049 0.000 2.347 367 V HA 0.303 4.424 4.120 0.003 0.000 0.280 367 V C -0.220 175.901 176.094 0.046 0.000 1.021 367 V CA -0.790 61.529 62.300 0.033 0.000 0.847 367 V CB 0.835 32.697 31.823 0.066 0.000 0.990 367 V HN 0.665 nan 8.190 nan 0.000 0.444 368 L N 4.961 126.173 121.223 -0.018 0.000 2.344 368 L HA 0.679 5.021 4.340 0.003 0.000 0.272 368 L C -0.694 176.155 176.870 -0.035 0.000 1.035 368 L CA -0.473 54.376 54.840 0.015 0.000 0.807 368 L CB 1.726 43.744 42.059 -0.069 0.000 1.237 368 L HN 0.612 nan 8.230 nan 0.000 0.442 369 F N 1.447 121.301 119.950 -0.161 0.000 2.588 369 F HA 0.806 5.334 4.527 0.003 0.000 0.310 369 F C -1.004 174.636 175.800 -0.268 0.000 1.082 369 F CA -0.428 57.357 58.000 -0.358 0.000 0.929 369 F CB 1.854 40.644 39.000 -0.351 0.000 1.254 369 F HN 0.482 nan 8.300 nan 0.000 0.455 370 A N 4.150 126.220 122.820 -1.250 0.000 2.574 370 A HA 0.578 4.900 4.320 0.003 0.000 0.297 370 A C -1.779 175.076 177.584 -1.215 0.000 1.062 370 A CA -0.667 50.755 52.037 -1.024 0.000 0.686 370 A CB 1.728 20.032 19.000 -1.161 0.000 1.285 370 A HN 0.823 nan 8.150 nan 0.000 0.403 371 E N 0.957 120.776 120.200 -0.635 0.000 2.183 371 E HA 0.474 4.826 4.350 0.003 0.000 0.271 371 E C -0.714 175.886 176.600 0.000 0.000 0.919 371 E CA -0.842 55.368 56.400 -0.318 0.000 0.781 371 E CB 1.182 30.827 29.700 -0.092 0.000 1.140 371 E HN 0.470 nan 8.360 nan 0.000 0.402 372 K N 3.338 123.795 120.400 0.095 0.000 2.383 372 K HA 0.120 4.442 4.320 0.003 0.000 0.286 372 K C -0.711 175.958 176.600 0.115 0.000 1.051 372 K CA 0.130 56.540 56.287 0.205 0.000 0.974 372 K CB 0.457 33.053 32.500 0.159 0.000 0.968 372 K HN 0.378 nan 8.250 nan 0.000 0.475 373 R N 2.834 123.400 120.500 0.111 0.000 2.297 373 R HA 0.388 4.730 4.340 0.003 0.000 0.308 373 R C 0.422 176.746 176.300 0.041 0.000 1.029 373 R CA -0.519 55.621 56.100 0.068 0.000 0.929 373 R CB 1.511 31.851 30.300 0.068 0.000 1.046 373 R HN 0.839 nan 8.270 nan 0.000 0.461 374 G N 0.000 108.820 108.800 0.033 0.000 5.446 374 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 374 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 374 G CA 0.000 45.112 45.100 0.020 0.000 0.502 374 G HN 0.000 nan 8.290 nan 0.000 0.925