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 2v7j_1_A DATA FIRST_RESID 4 DATA SEQUENCE TLDRVGVFAA THAAVAASDP LQARALVLQL PGLNRNKDVP GIVGLLREFL DATA SEQUENCE PVRGLPSGWG FVEAAAAMRD IGFFLGSLKR HGHEPAEVVP GLEPVLLDLA DATA SEQUENCE RATNLPPRET LLHVTVWNPT AADAQRSYTG LPDEAHLLES VRISMAALEA DATA SEQUENCE AIALTVELFD VSLRSPEFAQ RSDELEAYLQ KMVESIVYAY RFISPQVFYD DATA SEQUENCE ELRPFYEPIR VGGQSYLGPG AVEMPLFVLE HVLWGSQSDD QTYREFKETY DATA SEQUENCE LPYVLPAYRA VYARFSGEPA LIDRALDEAR AVGTRDEHVR AGLTALERVF DATA SEQUENCE KVLLRFRAPH LKLAERAYEV XXXXXXXXXX XXAPSMLGEL LTLTYAARSR DATA SEQUENCE VRAAL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.674 174.700 -0.043 0.000 1.109 4 T CA 0.000 62.084 62.100 -0.027 0.000 1.349 4 T CB 0.000 68.846 68.868 -0.036 0.000 0.612 5 L N 4.942 126.095 121.223 -0.117 0.000 2.544 5 L HA 0.190 4.543 4.340 0.022 0.000 0.240 5 L C 1.251 178.165 176.870 0.073 0.000 1.421 5 L CA 0.925 55.638 54.840 -0.212 0.000 1.206 5 L CB -1.147 40.650 42.059 -0.436 0.000 1.463 5 L HN 0.473 nan 8.230 nan 0.000 0.437 6 D N -0.153 120.330 120.400 0.138 0.000 2.263 6 D HA -0.223 4.430 4.640 0.022 0.000 0.208 6 D C 1.754 178.152 176.300 0.163 0.000 0.971 6 D CA 1.058 55.132 54.000 0.123 0.000 0.867 6 D CB 0.009 40.858 40.800 0.082 0.000 0.929 6 D HN 0.315 nan 8.370 nan 0.000 0.492 7 R N 0.149 120.819 120.500 0.284 0.000 2.235 7 R HA 0.079 4.433 4.340 0.022 0.000 0.213 7 R C 2.057 178.536 176.300 0.298 0.000 1.059 7 R CA 0.228 56.461 56.100 0.221 0.000 0.997 7 R CB -0.066 30.300 30.300 0.109 0.000 0.884 7 R HN 0.128 nan 8.270 nan 0.000 0.462 8 V N 0.433 120.552 119.914 0.342 0.000 2.407 8 V HA -0.196 3.938 4.120 0.022 0.000 0.248 8 V C 2.414 178.624 176.094 0.193 0.000 1.055 8 V CA 2.130 64.613 62.300 0.306 0.000 1.049 8 V CB -0.879 31.069 31.823 0.209 0.000 0.662 8 V HN 0.527 nan 8.190 nan 0.000 0.455 9 G N -0.407 108.452 108.800 0.100 0.000 2.529 9 G HA2 -0.308 3.665 3.960 0.022 0.000 0.219 9 G HA3 -0.308 3.665 3.960 0.022 0.000 0.219 9 G C 1.811 176.688 174.900 -0.040 0.000 1.177 9 G CA 1.390 46.506 45.100 0.026 0.000 0.773 9 G HN 0.399 nan 8.290 nan 0.000 0.573 10 V N -0.046 119.789 119.914 -0.130 0.000 2.343 10 V HA -0.085 4.049 4.120 0.022 0.000 0.247 10 V C 2.615 178.507 176.094 -0.338 0.000 1.051 10 V CA 2.075 64.207 62.300 -0.280 0.000 1.036 10 V CB -0.460 31.109 31.823 -0.422 0.000 0.654 10 V HN 0.332 nan 8.190 nan 0.000 0.451 11 F N 0.970 120.845 119.950 -0.124 0.000 2.146 11 F HA -0.001 4.539 4.527 0.022 0.000 0.298 11 F C 2.521 178.003 175.800 -0.529 0.000 1.096 11 F CA 1.504 59.346 58.000 -0.264 0.000 1.275 11 F CB -1.326 37.577 39.000 -0.161 0.000 1.008 11 F HN 0.214 nan 8.300 nan 0.000 0.480 12 A N 0.185 122.946 122.820 -0.097 0.000 1.908 12 A HA -0.104 4.229 4.320 0.022 0.000 0.218 12 A C 2.425 179.991 177.584 -0.031 0.000 1.181 12 A CA 1.881 53.892 52.037 -0.044 0.000 0.627 12 A CB -1.316 17.723 19.000 0.066 0.000 0.818 12 A HN 0.318 nan 8.150 nan 0.000 0.445 13 A N -0.242 122.546 122.820 -0.054 0.000 1.902 13 A HA -0.109 4.225 4.320 0.022 0.000 0.217 13 A C 2.465 180.032 177.584 -0.029 0.000 1.181 13 A CA 2.578 54.593 52.037 -0.036 0.000 0.623 13 A CB -1.439 17.526 19.000 -0.060 0.000 0.818 13 A HN 0.802 nan 8.150 nan 0.000 0.443 14 T N -2.285 112.226 114.554 -0.072 0.000 2.788 14 T HA -0.210 4.153 4.350 0.022 0.000 0.268 14 T C 1.648 176.433 174.700 0.141 0.000 1.044 14 T CA 1.729 63.823 62.100 -0.011 0.000 1.139 14 T CB -0.863 67.993 68.868 -0.020 0.000 0.867 14 T HN 0.721 nan 8.240 nan 0.000 0.454 15 H N 1.550 120.757 119.070 0.228 0.000 2.321 15 H HA 0.189 4.759 4.556 0.023 0.000 0.300 15 H C 2.842 178.296 175.328 0.210 0.000 1.087 15 H CA 0.774 57.034 56.048 0.353 0.000 1.319 15 H CB -0.291 29.665 29.762 0.323 0.000 1.379 15 H HN 0.533 nan 8.280 nan 0.000 0.501 16 A N 1.355 124.319 122.820 0.239 0.000 1.972 16 A HA -0.151 4.182 4.320 0.022 0.000 0.219 16 A C 2.571 180.192 177.584 0.062 0.000 1.169 16 A CA 1.299 53.415 52.037 0.132 0.000 0.635 16 A CB -0.915 18.134 19.000 0.081 0.000 0.810 16 A HN 0.488 nan 8.150 nan 0.000 0.446 17 A N -0.474 122.364 122.820 0.030 0.000 1.917 17 A HA -0.070 4.264 4.320 0.022 0.000 0.219 17 A C 2.215 179.753 177.584 -0.078 0.000 1.182 17 A CA 2.064 54.083 52.037 -0.029 0.000 0.633 17 A CB -0.878 18.095 19.000 -0.044 0.000 0.819 17 A HN 0.460 nan 8.150 nan 0.000 0.448 18 V N -0.515 119.326 119.914 -0.121 0.000 2.407 18 V HA -0.123 4.011 4.120 0.022 0.000 0.245 18 V C 2.984 179.031 176.094 -0.078 0.000 1.041 18 V CA 1.587 63.745 62.300 -0.237 0.000 1.040 18 V CB -1.239 30.181 31.823 -0.672 0.000 0.671 18 V HN 0.593 nan 8.190 nan 0.000 0.455 19 A N 0.269 123.113 122.820 0.040 0.000 1.972 19 A HA -0.067 4.266 4.320 0.022 0.000 0.219 19 A C 2.269 179.861 177.584 0.014 0.000 1.169 19 A CA 1.910 53.989 52.037 0.071 0.000 0.635 19 A CB -0.563 18.508 19.000 0.117 0.000 0.810 19 A HN 0.581 nan 8.150 nan 0.000 0.446 20 A N -1.051 121.765 122.820 -0.008 0.000 2.169 20 A HA 0.299 4.633 4.320 0.022 0.000 0.212 20 A C 1.386 178.938 177.584 -0.053 0.000 1.153 20 A CA 0.832 52.854 52.037 -0.025 0.000 0.756 20 A CB -0.343 18.644 19.000 -0.022 0.000 0.813 20 A HN 0.412 nan 8.150 nan 0.000 0.471 21 S N 0.309 115.961 115.700 -0.081 0.000 2.499 21 S HA 0.408 4.891 4.470 0.022 0.000 0.279 21 S C -0.941 173.586 174.600 -0.122 0.000 1.219 21 S CA -0.480 57.646 58.200 -0.123 0.000 1.062 21 S CB 0.780 63.867 63.200 -0.189 0.000 0.978 21 S HN 0.262 nan 8.310 nan 0.000 0.489 22 D N 4.599 124.928 120.400 -0.119 0.000 2.656 22 D HA 0.349 5.003 4.640 0.022 0.000 0.303 22 D C -1.627 174.614 176.300 -0.098 0.000 1.199 22 D CA -1.624 52.311 54.000 -0.109 0.000 0.797 22 D CB 1.099 41.848 40.800 -0.084 0.000 1.170 22 D HN 0.333 nan 8.370 nan 0.000 0.509 23 P HA -0.013 nan 4.420 nan 0.000 0.223 23 P C 1.187 178.569 177.300 0.136 0.000 1.151 23 P CA 0.355 63.399 63.100 -0.094 0.000 0.787 23 P CB 0.610 31.982 31.700 -0.547 0.000 0.788 24 L N -0.960 120.321 121.223 0.096 0.000 2.628 24 L HA 0.191 4.544 4.340 0.022 0.000 0.229 24 L C 0.480 177.382 176.870 0.054 0.000 1.137 24 L CA -0.036 54.909 54.840 0.175 0.000 0.909 24 L CB -0.705 41.516 42.059 0.269 0.000 1.137 24 L HN -0.089 nan 8.230 nan 0.000 0.470 25 Q N -0.099 119.696 119.800 -0.008 0.000 2.439 25 Q HA -0.261 4.092 4.340 0.022 0.000 0.325 25 Q C 0.894 176.825 176.000 -0.115 0.000 1.372 25 Q CA 0.472 56.251 55.803 -0.041 0.000 0.909 25 Q CB -1.197 27.544 28.738 0.005 0.000 1.167 25 Q HN 0.595 nan 8.270 nan 0.000 0.418 26 A N -0.138 122.540 122.820 -0.236 0.000 2.390 26 A HA 0.082 4.415 4.320 0.022 0.000 0.232 26 A C 1.682 179.075 177.584 -0.318 0.000 1.233 26 A CA 0.450 52.203 52.037 -0.473 0.000 0.907 26 A CB 0.071 18.423 19.000 -1.079 0.000 0.967 26 A HN 0.439 nan 8.150 nan 0.000 0.512 27 R N 0.448 120.833 120.500 -0.191 0.000 2.115 27 R HA -0.218 4.136 4.340 0.022 0.000 0.239 27 R C 2.073 178.305 176.300 -0.113 0.000 1.133 27 R CA 2.009 58.025 56.100 -0.139 0.000 0.935 27 R CB -0.375 29.866 30.300 -0.098 0.000 0.853 27 R HN 0.399 nan 8.270 nan 0.000 0.433 28 A N 0.611 123.380 122.820 -0.084 0.000 2.067 28 A HA -0.052 4.281 4.320 0.022 0.000 0.219 28 A C 2.178 179.743 177.584 -0.031 0.000 1.158 28 A CA 0.977 52.983 52.037 -0.051 0.000 0.661 28 A CB -0.285 18.696 19.000 -0.032 0.000 0.801 28 A HN 0.372 nan 8.150 nan 0.000 0.452 29 L N -0.795 120.403 121.223 -0.042 0.000 2.068 29 L HA -0.092 4.261 4.340 0.022 0.000 0.204 29 L C 2.412 179.340 176.870 0.095 0.000 1.076 29 L CA 0.894 55.757 54.840 0.038 0.000 0.753 29 L CB -0.518 41.569 42.059 0.047 0.000 0.910 29 L HN 0.223 nan 8.230 nan 0.000 0.439 30 V N 0.195 120.114 119.914 0.009 0.000 2.626 30 V HA -0.245 3.888 4.120 0.022 0.000 0.252 30 V C 2.367 178.403 176.094 -0.097 0.000 1.067 30 V CA 1.218 63.536 62.300 0.029 0.000 1.081 30 V CB -0.510 31.275 31.823 -0.064 0.000 0.686 30 V HN 0.369 nan 8.190 nan 0.000 0.468 31 L N -0.157 121.008 121.223 -0.097 0.000 2.261 31 L HA -0.224 4.129 4.340 0.022 0.000 0.216 31 L C 2.482 179.311 176.870 -0.068 0.000 1.114 31 L CA 1.417 56.194 54.840 -0.105 0.000 0.777 31 L CB -0.530 41.480 42.059 -0.082 0.000 0.910 31 L HN 0.445 nan 8.230 nan 0.000 0.440 32 Q N -0.806 118.984 119.800 -0.017 0.000 2.432 32 Q HA -0.096 4.257 4.340 0.022 0.000 0.205 32 Q C 2.024 178.028 176.000 0.006 0.000 0.945 32 Q CA 0.216 56.027 55.803 0.013 0.000 0.924 32 Q CB 0.112 28.886 28.738 0.060 0.000 1.016 32 Q HN 0.335 nan 8.270 nan 0.000 0.503 33 L N 1.768 122.962 121.223 -0.049 0.000 2.017 33 L HA -0.083 4.270 4.340 0.022 0.000 0.208 33 L C -0.945 175.882 176.870 -0.071 0.000 1.073 33 L CA 1.969 56.740 54.840 -0.115 0.000 0.745 33 L CB -1.070 40.771 42.059 -0.363 0.000 0.894 33 L HN 0.015 nan 8.230 nan 0.000 0.432 34 P HA -0.153 nan 4.420 nan 0.000 0.216 34 P C 1.620 178.919 177.300 -0.001 0.000 1.157 34 P CA 1.982 65.045 63.100 -0.060 0.000 0.880 34 P CB -0.432 31.217 31.700 -0.086 0.000 0.791 35 G N -0.493 108.306 108.800 -0.000 0.000 2.418 35 G HA2 -0.224 3.749 3.960 0.022 0.000 0.217 35 G HA3 -0.224 3.749 3.960 0.022 0.000 0.217 35 G C 1.477 176.399 174.900 0.038 0.000 1.158 35 G CA 0.566 45.677 45.100 0.019 0.000 0.771 35 G HN 0.232 nan 8.290 nan 0.000 0.545 36 L N 0.317 121.568 121.223 0.046 0.000 2.093 36 L HA -0.032 4.321 4.340 0.022 0.000 0.208 36 L C 2.675 179.596 176.870 0.084 0.000 1.085 36 L CA 0.615 55.490 54.840 0.058 0.000 0.755 36 L CB -0.387 41.719 42.059 0.077 0.000 0.904 36 L HN 0.126 nan 8.230 nan 0.000 0.435 37 N N 0.350 119.142 118.700 0.152 0.000 2.142 37 N HA -0.185 4.568 4.740 0.022 0.000 0.186 37 N C 1.922 177.581 175.510 0.249 0.000 1.023 37 N CA 1.071 54.311 53.050 0.317 0.000 0.852 37 N CB -0.201 38.524 38.487 0.397 0.000 0.998 37 N HN 0.267 nan 8.380 nan 0.000 0.424 38 R N 0.963 121.550 120.500 0.146 0.000 2.096 38 R HA 0.028 4.381 4.340 0.022 0.000 0.235 38 R C 0.983 177.328 176.300 0.074 0.000 1.127 38 R CA 1.173 57.336 56.100 0.105 0.000 0.968 38 R CB 0.039 30.377 30.300 0.064 0.000 0.861 38 R HN 0.173 nan 8.270 nan 0.000 0.440 39 N N 0.972 119.702 118.700 0.050 0.000 2.461 39 N HA -0.042 4.711 4.740 0.022 0.000 0.188 39 N C -0.350 175.148 175.510 -0.021 0.000 1.134 39 N CA 0.541 53.601 53.050 0.017 0.000 0.878 39 N CB 0.306 38.799 38.487 0.011 0.000 0.972 39 N HN 0.160 nan 8.380 nan 0.000 0.456 40 K N 0.746 121.118 120.400 -0.048 0.000 3.077 40 K HA -0.185 4.148 4.320 0.022 0.000 0.264 40 K C -0.681 175.754 176.600 -0.276 0.000 1.008 40 K CA 0.477 56.608 56.287 -0.260 0.000 0.740 40 K CB -1.160 31.273 32.500 -0.112 0.000 1.273 40 K HN 0.147 nan 8.250 nan 0.000 0.477 41 D N 0.735 121.029 120.400 -0.176 0.000 2.522 41 D HA 0.157 4.810 4.640 0.022 0.000 0.218 41 D C 0.987 177.236 176.300 -0.086 0.000 1.149 41 D CA -0.298 53.647 54.000 -0.092 0.000 0.981 41 D CB 0.665 41.450 40.800 -0.026 0.000 1.041 41 D HN -0.022 nan 8.370 nan 0.000 0.518 42 V N 4.701 124.548 119.914 -0.112 0.000 2.295 42 V HA -0.127 4.007 4.120 0.022 0.000 0.246 42 V C -0.629 175.447 176.094 -0.030 0.000 1.049 42 V CA 1.408 63.670 62.300 -0.063 0.000 1.024 42 V CB -1.150 30.628 31.823 -0.075 0.000 0.648 42 V HN 0.465 nan 8.190 nan 0.000 0.447 43 P HA -0.141 nan 4.420 nan 0.000 0.216 43 P C 1.708 179.013 177.300 0.009 0.000 1.153 43 P CA 1.908 64.993 63.100 -0.025 0.000 0.858 43 P CB -0.331 31.352 31.700 -0.027 0.000 0.789 44 G N -0.437 108.376 108.800 0.021 0.000 2.418 44 G HA2 -0.231 3.742 3.960 0.022 0.000 0.217 44 G HA3 -0.231 3.742 3.960 0.022 0.000 0.217 44 G C 1.519 176.485 174.900 0.110 0.000 1.158 44 G CA 0.555 45.687 45.100 0.053 0.000 0.771 44 G HN 0.232 nan 8.290 nan 0.000 0.545 45 I N 0.339 120.991 120.570 0.136 0.000 2.163 45 I HA -0.182 4.002 4.170 0.022 0.000 0.243 45 I C 2.795 179.073 176.117 0.268 0.000 1.085 45 I CA 0.615 62.077 61.300 0.270 0.000 1.347 45 I CB -0.316 37.844 38.000 0.267 0.000 1.044 45 I HN 0.029 nan 8.210 nan 0.000 0.408 46 V N 1.013 121.004 119.914 0.129 0.000 2.287 46 V HA -0.246 3.887 4.120 0.022 0.000 0.248 46 V C 2.586 178.671 176.094 -0.017 0.000 1.053 46 V CA 2.279 64.603 62.300 0.039 0.000 1.027 46 V CB -1.470 30.352 31.823 -0.001 0.000 0.646 46 V HN 0.597 nan 8.190 nan 0.000 0.447 47 G N -0.358 108.448 108.800 0.011 0.000 2.418 47 G HA2 -0.254 3.719 3.960 0.022 0.000 0.217 47 G HA3 -0.254 3.719 3.960 0.022 0.000 0.217 47 G C 1.576 176.474 174.900 -0.003 0.000 1.158 47 G CA 1.139 46.236 45.100 -0.004 0.000 0.771 47 G HN 0.433 nan 8.290 nan 0.000 0.545 48 L N 0.144 121.407 121.223 0.067 0.000 2.017 48 L HA 0.084 4.437 4.340 0.022 0.000 0.208 48 L C 2.533 179.342 176.870 -0.102 0.000 1.073 48 L CA 1.512 56.425 54.840 0.121 0.000 0.745 48 L CB -0.628 41.640 42.059 0.349 0.000 0.894 48 L HN 0.194 nan 8.230 nan 0.000 0.432 49 L N -0.073 120.888 121.223 -0.436 0.000 2.012 49 L HA -0.203 4.150 4.340 0.022 0.000 0.210 49 L C 2.630 179.031 176.870 -0.782 0.000 1.073 49 L CA 1.771 55.978 54.840 -1.055 0.000 0.748 49 L CB -0.683 40.839 42.059 -0.894 0.000 0.891 49 L HN 0.268 nan 8.230 nan 0.000 0.431 50 R N -0.355 119.912 120.500 -0.389 0.000 2.193 50 R HA -0.136 4.217 4.340 0.022 0.000 0.229 50 R C 1.965 178.152 176.300 -0.188 0.000 1.110 50 R CA 1.185 57.127 56.100 -0.264 0.000 0.988 50 R CB -0.372 29.838 30.300 -0.150 0.000 0.871 50 R HN 0.587 nan 8.270 nan 0.000 0.458 51 E N 0.033 120.158 120.200 -0.126 0.000 2.265 51 E HA -0.177 4.187 4.350 0.022 0.000 0.196 51 E C 1.021 177.676 176.600 0.091 0.000 0.996 51 E CA 1.302 57.711 56.400 0.014 0.000 0.832 51 E CB 0.080 29.842 29.700 0.103 0.000 0.756 51 E HN 0.498 nan 8.360 nan 0.000 0.491 52 F N -1.763 118.139 119.950 -0.080 0.000 2.871 52 F HA 0.280 4.819 4.527 0.019 0.000 0.344 52 F C 0.172 175.947 175.800 -0.043 0.000 1.078 52 F CA -0.844 57.127 58.000 -0.048 0.000 1.149 52 F CB 0.066 39.047 39.000 -0.032 0.000 1.087 52 F HN -0.232 nan 8.300 nan 0.000 0.557 53 L N 5.132 126.049 121.223 -0.509 0.000 2.534 53 L HA 0.395 4.748 4.340 0.022 0.000 0.271 53 L C -2.326 174.470 176.870 -0.123 0.000 1.178 53 L CA -1.864 52.769 54.840 -0.345 0.000 0.907 53 L CB -0.170 41.650 42.059 -0.400 0.000 1.164 53 L HN -0.090 nan 8.230 nan 0.000 0.482 54 P HA -0.004 nan 4.420 nan 0.000 0.264 54 P C 0.515 177.772 177.300 -0.072 0.000 1.193 54 P CA -0.017 63.055 63.100 -0.047 0.000 0.763 54 P CB 0.603 32.267 31.700 -0.059 0.000 0.810 55 V N 1.315 121.188 119.914 -0.069 0.000 3.431 55 V HA 0.232 4.365 4.120 0.022 0.000 0.253 55 V C 1.103 177.158 176.094 -0.065 0.000 1.184 55 V CA 0.662 62.922 62.300 -0.066 0.000 1.104 55 V CB -0.595 31.193 31.823 -0.059 0.000 0.799 55 V HN 0.314 nan 8.190 nan 0.000 0.462 56 R N 1.419 121.874 120.500 -0.075 0.000 2.767 56 R HA 0.569 4.923 4.340 0.022 0.000 0.377 56 R C 0.764 177.004 176.300 -0.100 0.000 1.151 56 R CA 0.450 56.504 56.100 -0.077 0.000 1.046 56 R CB 0.660 30.918 30.300 -0.070 0.000 1.404 56 R HN 0.706 nan 8.270 nan 0.000 0.580 57 G N 0.812 109.548 108.800 -0.108 0.000 2.757 57 G HA2 -0.242 3.731 3.960 0.022 0.000 0.638 57 G HA3 -0.242 3.731 3.960 0.022 0.000 0.638 57 G C -0.596 174.170 174.900 -0.223 0.000 1.344 57 G CA -1.052 43.968 45.100 -0.133 0.000 0.855 57 G HN 0.123 nan 8.290 nan 0.000 0.537 58 L N 0.979 122.038 121.223 -0.273 0.000 2.326 58 L HA 0.404 4.757 4.340 0.022 0.000 0.278 58 L C -1.603 174.913 176.870 -0.589 0.000 1.092 58 L CA -1.690 52.830 54.840 -0.534 0.000 0.810 58 L CB 0.821 42.649 42.059 -0.385 0.000 1.153 58 L HN 0.360 nan 8.230 nan 0.000 0.439 59 P HA -0.015 nan 4.420 nan 0.000 0.262 59 P C 0.617 177.647 177.300 -0.450 0.000 1.182 59 P CA 0.014 62.719 63.100 -0.659 0.000 0.761 59 P CB 0.675 31.880 31.700 -0.826 0.000 0.795 60 S N 1.655 117.227 115.700 -0.212 0.000 2.447 60 S HA -0.087 4.396 4.470 0.022 0.000 0.233 60 S C 1.975 176.568 174.600 -0.012 0.000 1.006 60 S CA 0.910 59.053 58.200 -0.095 0.000 0.957 60 S CB -0.948 62.214 63.200 -0.063 0.000 0.773 60 S HN 0.568 nan 8.310 nan 0.000 0.507 61 G N 0.043 108.853 108.800 0.016 0.000 2.650 61 G HA2 0.051 4.024 3.960 0.022 0.000 0.214 61 G HA3 0.051 4.024 3.960 0.022 0.000 0.214 61 G C -0.020 175.027 174.900 0.245 0.000 1.136 61 G CA -0.491 44.677 45.100 0.113 0.000 0.789 61 G HN 0.406 nan 8.290 nan 0.000 0.536 62 W N 0.970 122.264 121.300 -0.010 0.000 2.223 62 W HA 0.529 5.202 4.660 0.022 0.000 0.334 62 W C 0.828 177.342 176.519 -0.008 0.000 1.334 62 W CA -0.623 56.713 57.345 -0.015 0.000 1.246 62 W CB 0.531 29.978 29.460 -0.023 0.000 1.184 62 W HN 0.088 nan 8.180 nan 0.000 0.563 63 G N 1.519 110.416 108.800 0.161 0.000 2.971 63 G HA2 0.293 4.267 3.960 0.022 0.000 0.235 63 G HA3 0.293 4.267 3.960 0.022 0.000 0.235 63 G C 0.091 175.034 174.900 0.072 0.000 1.351 63 G CA -0.643 44.524 45.100 0.113 0.000 1.039 63 G HN 0.412 nan 8.290 nan 0.000 0.563 64 F N -0.123 119.795 119.950 -0.053 0.000 2.091 64 F HA -0.179 4.361 4.527 0.023 0.000 0.299 64 F C 2.686 178.362 175.800 -0.208 0.000 1.103 64 F CA 2.211 60.149 58.000 -0.103 0.000 1.228 64 F CB -0.180 38.752 39.000 -0.113 0.000 0.984 64 F HN 0.031 nan 8.300 nan 0.000 0.477 65 V N 0.395 120.287 119.914 -0.037 0.000 2.255 65 V HA -0.332 3.802 4.120 0.022 0.000 0.247 65 V C 2.248 178.098 176.094 -0.408 0.000 1.051 65 V CA 2.402 64.571 62.300 -0.218 0.000 1.018 65 V CB -0.771 30.972 31.823 -0.133 0.000 0.641 65 V HN 0.296 nan 8.190 nan 0.000 0.445 66 E N 0.532 120.464 120.200 -0.447 0.000 2.051 66 E HA -0.123 4.241 4.350 0.022 0.000 0.192 66 E C 2.259 178.355 176.600 -0.841 0.000 0.991 66 E CA 1.474 57.394 56.400 -0.801 0.000 0.799 66 E CB -0.704 28.231 29.700 -1.275 0.000 0.748 66 E HN 0.568 nan 8.360 nan 0.000 0.449 67 A N 1.021 123.541 122.820 -0.500 0.000 1.902 67 A HA -0.124 4.210 4.320 0.022 0.000 0.217 67 A C 2.365 179.774 177.584 -0.291 0.000 1.181 67 A CA 1.973 53.865 52.037 -0.242 0.000 0.623 67 A CB -0.884 18.079 19.000 -0.061 0.000 0.818 67 A HN 0.287 nan 8.150 nan 0.000 0.443 68 A N -0.241 122.268 122.820 -0.518 0.000 1.898 68 A HA 0.197 4.530 4.320 0.022 0.000 0.216 68 A C 2.494 180.011 177.584 -0.111 0.000 1.181 68 A CA 1.972 53.771 52.037 -0.397 0.000 0.620 68 A CB -0.966 17.409 19.000 -1.041 0.000 0.819 68 A HN 1.048 nan 8.150 nan 0.000 0.442 69 A N -0.147 122.519 122.820 -0.256 0.000 1.933 69 A HA 0.182 4.515 4.320 0.022 0.000 0.218 69 A C 2.473 180.019 177.584 -0.064 0.000 1.175 69 A CA 1.981 53.936 52.037 -0.137 0.000 0.628 69 A CB -0.916 17.941 19.000 -0.238 0.000 0.814 69 A HN 1.005 nan 8.150 nan 0.000 0.444 70 A N -0.954 121.775 122.820 -0.151 0.000 1.898 70 A HA -0.089 4.244 4.320 0.022 0.000 0.216 70 A C 2.164 179.818 177.584 0.116 0.000 1.181 70 A CA 2.164 54.206 52.037 0.007 0.000 0.620 70 A CB -0.479 18.548 19.000 0.045 0.000 0.819 70 A HN 0.557 nan 8.150 nan 0.000 0.442 71 M N -0.000 119.642 119.600 0.071 0.000 2.159 71 M HA -0.114 4.380 4.480 0.022 0.000 0.263 71 M C 2.082 178.398 176.300 0.027 0.000 1.063 71 M CA 1.978 57.291 55.300 0.021 0.000 1.110 71 M CB -0.497 32.060 32.600 -0.072 0.000 1.374 71 M HN 0.480 nan 8.290 nan 0.000 0.411 72 R N -0.208 120.407 120.500 0.193 0.000 2.080 72 R HA -0.187 4.166 4.340 0.022 0.000 0.236 72 R C 1.449 177.944 176.300 0.325 0.000 1.137 72 R CA 2.264 58.528 56.100 0.272 0.000 0.943 72 R CB -0.614 29.913 30.300 0.378 0.000 0.846 72 R HN 0.375 nan 8.270 nan 0.000 0.431 73 D N 0.364 120.943 120.400 0.297 0.000 2.123 73 D HA -0.094 4.559 4.640 0.022 0.000 0.200 73 D C 2.026 178.706 176.300 0.634 0.000 0.976 73 D CA 1.173 55.392 54.000 0.366 0.000 0.831 73 D CB -0.152 40.715 40.800 0.111 0.000 0.974 73 D HN 0.337 nan 8.370 nan 0.000 0.469 74 I N 1.087 121.971 120.570 0.522 0.000 2.226 74 I HA -0.154 4.029 4.170 0.022 0.000 0.245 74 I C 2.556 178.919 176.117 0.410 0.000 1.100 74 I CA 1.241 62.793 61.300 0.420 0.000 1.374 74 I CB -0.492 37.624 38.000 0.192 0.000 1.057 74 I HN 0.007 nan 8.210 nan 0.000 0.413 75 G N 0.813 109.760 108.800 0.245 0.000 2.469 75 G HA2 -0.277 3.697 3.960 0.022 0.000 0.219 75 G HA3 -0.277 3.697 3.960 0.022 0.000 0.219 75 G C 1.513 176.470 174.900 0.094 0.000 1.150 75 G CA 0.696 45.850 45.100 0.089 0.000 0.763 75 G HN 0.261 nan 8.290 nan 0.000 0.561 76 F N 0.031 120.035 119.950 0.090 0.000 2.269 76 F HA 0.079 4.620 4.527 0.022 0.000 0.301 76 F C 2.240 178.034 175.800 -0.009 0.000 1.082 76 F CA 0.768 58.652 58.000 -0.194 0.000 1.360 76 F CB -0.312 38.411 39.000 -0.461 0.000 1.041 76 F HN 0.104 nan 8.300 nan 0.000 0.512 77 F N -0.510 119.627 119.950 0.312 0.000 2.259 77 F HA -0.112 4.431 4.527 0.027 0.000 0.298 77 F C 2.063 178.012 175.800 0.248 0.000 1.088 77 F CA 0.715 58.877 58.000 0.270 0.000 1.358 77 F CB -0.666 38.451 39.000 0.196 0.000 1.040 77 F HN -0.127 nan 8.300 nan 0.000 0.505 78 L N -0.533 120.913 121.223 0.372 0.000 2.005 78 L HA -0.107 4.246 4.340 0.022 0.000 0.207 78 L C 2.825 179.850 176.870 0.258 0.000 1.072 78 L CA 1.510 56.508 54.840 0.263 0.000 0.744 78 L CB -1.571 40.601 42.059 0.189 0.000 0.895 78 L HN 0.220 nan 8.230 nan 0.000 0.433 79 G N -0.693 108.312 108.800 0.342 0.000 2.422 79 G HA2 -0.226 3.748 3.960 0.022 0.000 0.218 79 G HA3 -0.226 3.748 3.960 0.022 0.000 0.218 79 G C 1.736 176.797 174.900 0.269 0.000 1.146 79 G CA 0.979 46.248 45.100 0.281 0.000 0.769 79 G HN 0.344 nan 8.290 nan 0.000 0.547 80 S N 0.461 116.440 115.700 0.464 0.000 2.355 80 S HA -0.008 4.475 4.470 0.022 0.000 0.222 80 S C 2.308 177.049 174.600 0.236 0.000 1.031 80 S CA 0.851 59.315 58.200 0.440 0.000 0.993 80 S CB -0.286 63.176 63.200 0.438 0.000 0.859 80 S HN 0.306 nan 8.310 nan 0.000 0.453 81 L N 1.089 122.484 121.223 0.287 0.000 2.046 81 L HA -0.135 4.218 4.340 0.022 0.000 0.208 81 L C 2.533 179.508 176.870 0.176 0.000 1.077 81 L CA 1.248 56.260 54.840 0.286 0.000 0.747 81 L CB -0.421 41.793 42.059 0.260 0.000 0.896 81 L HN 0.200 nan 8.230 nan 0.000 0.432 82 K N 0.324 120.773 120.400 0.082 0.000 2.097 82 K HA -0.190 4.143 4.320 0.022 0.000 0.206 82 K C 2.263 178.759 176.600 -0.173 0.000 1.049 82 K CA 1.217 57.494 56.287 -0.017 0.000 0.933 82 K CB -0.247 32.248 32.500 -0.009 0.000 0.717 82 K HN -0.026 nan 8.250 nan 0.000 0.442 83 R N 0.051 120.348 120.500 -0.338 0.000 2.127 83 R HA -0.130 4.223 4.340 0.022 0.000 0.238 83 R C 0.883 176.822 176.300 -0.602 0.000 1.134 83 R CA 1.530 57.218 56.100 -0.687 0.000 0.975 83 R CB -0.356 29.132 30.300 -1.355 0.000 0.865 83 R HN 0.469 nan 8.270 nan 0.000 0.447 84 H N -1.352 117.621 119.070 -0.161 0.000 2.533 84 H HA 0.178 4.744 4.556 0.016 0.000 0.271 84 H C 0.908 176.111 175.328 -0.208 0.000 1.000 84 H CA 0.804 56.795 56.048 -0.096 0.000 1.149 84 H CB 0.485 30.288 29.762 0.068 0.000 1.375 84 H HN 0.508 nan 8.280 nan 0.000 0.582 85 G N 1.044 109.725 108.800 -0.198 0.000 2.134 85 G HA2 -0.192 3.781 3.960 0.022 0.000 0.209 85 G HA3 -0.192 3.781 3.960 0.022 0.000 0.209 85 G C -0.328 174.283 174.900 -0.482 0.000 0.993 85 G CA -0.440 44.455 45.100 -0.343 0.000 0.669 85 G HN 0.466 nan 8.290 nan 0.000 0.519 86 H N 0.460 119.546 119.070 0.027 0.000 2.529 86 H HA 0.384 4.952 4.556 0.019 0.000 0.348 86 H C -0.403 174.949 175.328 0.040 0.000 1.079 86 H CA -0.742 55.329 56.048 0.039 0.000 1.198 86 H CB 1.505 31.304 29.762 0.062 0.000 1.521 86 H HN 0.167 nan 8.280 nan 0.000 0.514 87 E N 4.216 124.502 120.200 0.144 0.000 2.265 87 E HA 0.049 4.413 4.350 0.022 0.000 0.272 87 E C -1.552 175.120 176.600 0.119 0.000 1.067 87 E CA -1.740 54.723 56.400 0.106 0.000 0.900 87 E CB 1.208 30.954 29.700 0.077 0.000 1.017 87 E HN 0.437 nan 8.360 nan 0.000 0.431 88 P HA -0.194 nan 4.420 nan 0.000 0.216 88 P C 1.038 178.382 177.300 0.074 0.000 1.150 88 P CA 1.498 64.665 63.100 0.112 0.000 0.843 88 P CB 0.237 32.012 31.700 0.125 0.000 0.787 89 A N -0.043 122.818 122.820 0.068 0.000 2.019 89 A HA -0.212 4.122 4.320 0.022 0.000 0.219 89 A C 2.104 179.711 177.584 0.038 0.000 1.164 89 A CA 1.520 53.585 52.037 0.048 0.000 0.644 89 A CB -1.039 17.993 19.000 0.053 0.000 0.805 89 A HN 0.228 nan 8.150 nan 0.000 0.449 90 E N -0.451 119.779 120.200 0.049 0.000 2.158 90 E HA -0.064 4.300 4.350 0.022 0.000 0.191 90 E C 1.779 178.395 176.600 0.028 0.000 0.982 90 E CA 1.292 57.717 56.400 0.041 0.000 0.823 90 E CB -0.076 29.658 29.700 0.056 0.000 0.766 90 E HN 0.635 nan 8.360 nan 0.000 0.468 91 V N -1.848 118.083 119.914 0.028 0.000 3.650 91 V HA 0.137 4.271 4.120 0.022 0.000 0.271 91 V C 0.650 176.736 176.094 -0.014 0.000 1.281 91 V CA -0.196 62.100 62.300 -0.005 0.000 1.120 91 V CB 0.539 32.338 31.823 -0.040 0.000 0.856 91 V HN -0.137 nan 8.190 nan 0.000 0.443 92 V N 3.715 123.626 119.914 -0.004 0.000 2.305 92 V HA 0.452 4.586 4.120 0.022 0.000 0.275 92 V C -2.444 173.634 176.094 -0.026 0.000 1.020 92 V CA -1.748 60.537 62.300 -0.024 0.000 0.811 92 V CB 0.983 32.788 31.823 -0.030 0.000 1.031 92 V HN 0.281 nan 8.190 nan 0.000 0.439 93 P HA 0.195 nan 4.420 nan 0.000 0.268 93 P C 1.060 178.338 177.300 -0.037 0.000 1.205 93 P CA 1.168 64.252 63.100 -0.027 0.000 0.771 93 P CB 1.138 32.822 31.700 -0.027 0.000 0.858 94 G N 1.610 110.392 108.800 -0.030 0.000 2.184 94 G HA2 -0.336 3.637 3.960 0.022 0.000 0.264 94 G HA3 -0.336 3.637 3.960 0.022 0.000 0.264 94 G C 0.603 175.480 174.900 -0.039 0.000 0.975 94 G CA 0.381 45.460 45.100 -0.035 0.000 0.642 94 G HN 0.561 nan 8.290 nan 0.000 0.536 95 L N 0.908 122.110 121.223 -0.035 0.000 2.027 95 L HA 0.258 4.611 4.340 0.022 0.000 0.206 95 L C 2.449 179.310 176.870 -0.014 0.000 1.074 95 L CA 3.002 57.822 54.840 -0.033 0.000 0.745 95 L CB -0.613 41.431 42.059 -0.024 0.000 0.898 95 L HN 0.464 nan 8.230 nan 0.000 0.433 96 E N -0.491 119.708 120.200 -0.002 0.000 2.058 96 E HA -0.218 4.146 4.350 0.022 0.000 0.194 96 E C -0.498 176.102 176.600 0.001 0.000 0.997 96 E CA 1.750 58.155 56.400 0.008 0.000 0.801 96 E CB -0.808 28.903 29.700 0.018 0.000 0.746 96 E HN 0.393 nan 8.360 nan 0.000 0.450 97 P HA -0.144 nan 4.420 nan 0.000 0.216 97 P C 1.430 178.723 177.300 -0.012 0.000 1.150 97 P CA 0.988 64.082 63.100 -0.010 0.000 0.837 97 P CB 0.065 31.755 31.700 -0.016 0.000 0.786 98 V N -0.383 119.521 119.914 -0.016 0.000 2.295 98 V HA -0.236 3.898 4.120 0.022 0.000 0.246 98 V C 2.460 178.557 176.094 0.005 0.000 1.049 98 V CA 1.657 63.952 62.300 -0.009 0.000 1.024 98 V CB -1.281 30.533 31.823 -0.015 0.000 0.648 98 V HN 0.069 nan 8.190 nan 0.000 0.447 99 L N -0.700 120.521 121.223 -0.003 0.000 2.012 99 L HA -0.219 4.134 4.340 0.022 0.000 0.210 99 L C 2.442 179.296 176.870 -0.025 0.000 1.073 99 L CA 1.649 56.480 54.840 -0.014 0.000 0.748 99 L CB -0.626 41.422 42.059 -0.019 0.000 0.891 99 L HN 0.310 nan 8.230 nan 0.000 0.431 100 L N -0.639 120.574 121.223 -0.017 0.000 2.083 100 L HA -0.216 4.137 4.340 0.022 0.000 0.209 100 L C 2.251 179.118 176.870 -0.005 0.000 1.083 100 L CA 0.981 55.812 54.840 -0.014 0.000 0.752 100 L CB -0.635 41.424 42.059 -0.001 0.000 0.899 100 L HN 0.270 nan 8.230 nan 0.000 0.433 101 D N 0.206 120.607 120.400 0.001 0.000 2.117 101 D HA -0.138 4.515 4.640 0.022 0.000 0.197 101 D C 2.396 178.714 176.300 0.030 0.000 0.987 101 D CA 1.207 55.213 54.000 0.011 0.000 0.829 101 D CB -0.102 40.698 40.800 0.001 0.000 0.961 101 D HN 0.275 nan 8.370 nan 0.000 0.460 102 L N 0.571 121.816 121.223 0.036 0.000 2.093 102 L HA -0.080 4.273 4.340 0.022 0.000 0.208 102 L C 2.546 179.427 176.870 0.018 0.000 1.085 102 L CA 0.873 55.742 54.840 0.048 0.000 0.755 102 L CB -0.399 41.693 42.059 0.054 0.000 0.904 102 L HN -0.042 nan 8.230 nan 0.000 0.435 103 A N 0.518 123.335 122.820 -0.005 0.000 1.883 103 A HA -0.280 4.054 4.320 0.022 0.000 0.217 103 A C 2.420 180.014 177.584 0.017 0.000 1.186 103 A CA 2.055 54.083 52.037 -0.015 0.000 0.624 103 A CB -0.624 18.336 19.000 -0.066 0.000 0.822 103 A HN 0.384 nan 8.150 nan 0.000 0.444 104 R N -0.350 120.162 120.500 0.020 0.000 2.091 104 R HA -0.101 4.252 4.340 0.022 0.000 0.238 104 R C 2.129 178.463 176.300 0.055 0.000 1.136 104 R CA 1.653 57.773 56.100 0.033 0.000 0.959 104 R CB -0.413 29.902 30.300 0.026 0.000 0.856 104 R HN 0.418 nan 8.270 nan 0.000 0.437 105 A N -0.443 122.412 122.820 0.058 0.000 2.067 105 A HA -0.062 4.271 4.320 0.022 0.000 0.217 105 A C 1.916 179.560 177.584 0.099 0.000 1.156 105 A CA 1.493 53.577 52.037 0.078 0.000 0.683 105 A CB -0.275 18.776 19.000 0.085 0.000 0.808 105 A HN 0.622 nan 8.150 nan 0.000 0.455 106 T N -5.021 109.578 114.554 0.075 0.000 3.001 106 T HA 0.120 4.483 4.350 0.022 0.000 0.251 106 T C 0.690 175.569 174.700 0.298 0.000 1.040 106 T CA 0.488 62.675 62.100 0.146 0.000 0.985 106 T CB -0.158 68.645 68.868 -0.107 0.000 1.011 106 T HN 0.329 nan 8.240 nan 0.000 0.509 107 N N 0.773 119.572 118.700 0.165 0.000 2.721 107 N HA -0.128 4.625 4.740 0.022 0.000 0.249 107 N C -0.718 174.864 175.510 0.121 0.000 1.072 107 N CA 0.439 53.562 53.050 0.120 0.000 0.710 107 N CB -1.910 36.643 38.487 0.110 0.000 0.993 107 N HN 0.700 nan 8.380 nan 0.000 0.547 108 L N -0.915 120.377 121.223 0.114 0.000 2.257 108 L HA 0.691 5.044 4.340 0.022 0.000 0.257 108 L C -1.840 175.015 176.870 -0.025 0.000 1.033 108 L CA -2.146 52.752 54.840 0.096 0.000 0.835 108 L CB 1.445 43.646 42.059 0.237 0.000 1.398 108 L HN -0.123 nan 8.230 nan 0.000 0.429 109 P HA 0.098 nan 4.420 nan 0.000 0.272 109 P C -2.452 174.650 177.300 -0.331 0.000 1.230 109 P CA -0.996 61.898 63.100 -0.343 0.000 0.788 109 P CB -0.077 31.354 31.700 -0.448 0.000 0.949 110 P HA 0.101 nan 4.420 nan 0.000 0.220 110 P C -0.409 176.745 177.300 -0.243 0.000 1.778 110 P CA 0.356 63.268 63.100 -0.314 0.000 0.912 110 P CB -0.218 31.312 31.700 -0.284 0.000 1.861 111 R N -1.271 119.110 120.500 -0.198 0.000 2.826 111 R HA 0.400 4.753 4.340 0.022 0.000 0.269 111 R C -0.873 175.329 176.300 -0.164 0.000 1.031 111 R CA -0.997 55.039 56.100 -0.106 0.000 0.900 111 R CB 0.408 30.703 30.300 -0.009 0.000 1.318 111 R HN -0.163 nan 8.270 nan 0.000 0.447 112 E N 1.515 121.624 120.200 -0.151 0.000 2.373 112 E HA 0.205 4.568 4.350 0.022 0.000 0.267 112 E C -0.734 175.866 176.600 0.000 0.000 1.032 112 E CA -0.065 56.177 56.400 -0.262 0.000 0.889 112 E CB 1.349 30.916 29.700 -0.221 0.000 0.984 112 E HN 0.680 nan 8.360 nan 0.000 0.425 113 T N -0.187 114.488 114.554 0.202 0.000 2.905 113 T HA 0.273 4.636 4.350 0.022 0.000 0.283 113 T C 1.152 175.925 174.700 0.122 0.000 1.031 113 T CA -0.589 61.659 62.100 0.247 0.000 1.002 113 T CB 0.951 70.021 68.868 0.336 0.000 1.200 113 T HN 0.361 nan 8.240 nan 0.000 0.560 114 L N 0.667 121.900 121.223 0.015 0.000 2.034 114 L HA -0.081 4.273 4.340 0.022 0.000 0.217 114 L C 2.396 179.153 176.870 -0.187 0.000 1.077 114 L CA 1.843 56.633 54.840 -0.084 0.000 0.769 114 L CB -1.224 40.773 42.059 -0.102 0.000 0.890 114 L HN 0.804 nan 8.230 nan 0.000 0.435 115 L N -1.385 119.621 121.223 -0.361 0.000 2.013 115 L HA -0.309 4.044 4.340 0.022 0.000 0.212 115 L C 2.503 178.943 176.870 -0.718 0.000 1.073 115 L CA 1.803 56.120 54.840 -0.872 0.000 0.753 115 L CB -0.907 40.200 42.059 -1.587 0.000 0.890 115 L HN 0.408 nan 8.230 nan 0.000 0.432 116 H N -1.016 117.911 119.070 -0.239 0.000 2.352 116 H HA -0.159 4.410 4.556 0.022 0.000 0.299 116 H C 2.074 177.460 175.328 0.097 0.000 1.097 116 H CA 1.933 58.054 56.048 0.122 0.000 1.311 116 H CB -0.214 29.618 29.762 0.116 0.000 1.377 116 H HN 0.332 nan 8.280 nan 0.000 0.504 117 V N -1.609 118.371 119.914 0.110 0.000 3.506 117 V HA 0.055 4.189 4.120 0.022 0.000 0.263 117 V C 1.600 177.786 176.094 0.154 0.000 1.203 117 V CA 1.267 63.664 62.300 0.160 0.000 1.133 117 V CB -0.059 31.771 31.823 0.012 0.000 0.802 117 V HN 0.591 nan 8.190 nan 0.000 0.459 118 T N -0.392 114.172 114.554 0.017 0.000 3.556 118 T HA 0.093 4.456 4.350 0.022 0.000 0.204 118 T C 1.722 176.390 174.700 -0.053 0.000 0.896 118 T CA 1.343 63.428 62.100 -0.023 0.000 1.380 118 T CB -0.145 68.671 68.868 -0.086 0.000 1.584 118 T HN 0.637 nan 8.240 nan 0.000 0.411 119 V N -2.134 117.653 119.914 -0.212 0.000 2.626 119 V HA 0.102 4.235 4.120 0.022 0.000 0.252 119 V C 1.886 178.032 176.094 0.087 0.000 1.067 119 V CA 0.703 62.879 62.300 -0.208 0.000 1.081 119 V CB -1.250 30.146 31.823 -0.711 0.000 0.686 119 V HN 0.616 nan 8.190 nan 0.000 0.468 120 W N 0.944 122.205 121.300 -0.065 0.000 3.353 120 W HA 0.438 5.110 4.660 0.021 0.000 0.304 120 W C 0.671 177.208 176.519 0.030 0.000 1.273 120 W CA -1.042 56.298 57.345 -0.008 0.000 1.773 120 W CB -1.139 28.291 29.460 -0.050 0.000 1.095 120 W HN 0.334 nan 8.180 nan 0.000 0.676 121 N N 1.921 120.758 118.700 0.228 0.000 2.424 121 N HA 0.251 5.004 4.740 0.022 0.000 0.271 121 N C -2.592 172.974 175.510 0.093 0.000 0.985 121 N CA -2.283 50.866 53.050 0.164 0.000 0.921 121 N CB 1.814 40.410 38.487 0.181 0.000 1.149 121 N HN -0.295 nan 8.380 nan 0.000 0.492 122 P HA 0.063 nan 4.420 nan 0.000 0.269 122 P C 0.437 177.742 177.300 0.009 0.000 1.217 122 P CA 0.031 63.148 63.100 0.028 0.000 0.783 122 P CB 0.521 32.222 31.700 0.001 0.000 0.898 123 T N -2.537 112.022 114.554 0.008 0.000 3.037 123 T HA 0.266 4.629 4.350 0.022 0.000 0.252 123 T C 0.979 175.669 174.700 -0.018 0.000 1.073 123 T CA 0.089 62.187 62.100 -0.002 0.000 1.091 123 T CB -0.326 68.546 68.868 0.006 0.000 0.935 123 T HN 0.516 nan 8.240 nan 0.000 0.488 124 A N 1.089 123.897 122.820 -0.020 0.000 2.445 124 A HA 0.741 5.074 4.320 0.022 0.000 0.242 124 A C 1.934 179.495 177.584 -0.040 0.000 1.075 124 A CA 0.089 52.111 52.037 -0.025 0.000 0.777 124 A CB -0.166 18.820 19.000 -0.022 0.000 1.013 124 A HN 0.549 nan 8.150 nan 0.000 0.493 125 A N 1.338 124.135 122.820 -0.039 0.000 1.940 125 A HA -0.154 4.179 4.320 0.022 0.000 0.219 125 A C 1.430 178.981 177.584 -0.054 0.000 1.176 125 A CA 2.022 54.030 52.037 -0.048 0.000 0.631 125 A CB -0.558 18.418 19.000 -0.040 0.000 0.814 125 A HN 0.923 nan 8.150 nan 0.000 0.446 126 D N -1.328 119.044 120.400 -0.046 0.000 2.336 126 D HA 0.367 5.021 4.640 0.022 0.000 0.229 126 D C 0.839 177.103 176.300 -0.059 0.000 1.061 126 D CA 0.961 54.932 54.000 -0.048 0.000 0.875 126 D CB 0.126 40.905 40.800 -0.036 0.000 0.904 126 D HN 0.363 nan 8.370 nan 0.000 0.525 127 A N -0.527 122.253 122.820 -0.067 0.000 2.010 127 A HA 0.095 4.429 4.320 0.022 0.000 0.193 127 A C 0.936 178.460 177.584 -0.099 0.000 1.659 127 A CA -0.228 51.764 52.037 -0.075 0.000 1.175 127 A CB -0.241 18.728 19.000 -0.053 0.000 1.301 127 A HN 0.173 nan 8.150 nan 0.000 0.448 128 Q N 1.229 120.970 119.800 -0.098 0.000 2.263 128 Q HA 0.210 4.563 4.340 0.022 0.000 0.289 128 Q C -0.591 175.272 176.000 -0.228 0.000 1.061 128 Q CA 0.047 55.777 55.803 -0.122 0.000 0.927 128 Q CB 0.348 29.031 28.738 -0.092 0.000 1.154 128 Q HN 0.347 nan 8.270 nan 0.000 0.378 129 R N 1.930 122.230 120.500 -0.334 0.000 2.490 129 R HA 0.454 4.807 4.340 0.022 0.000 0.278 129 R C -0.876 174.849 176.300 -0.957 0.000 1.069 129 R CA -0.074 55.583 56.100 -0.739 0.000 1.080 129 R CB 1.776 31.487 30.300 -0.981 0.000 1.030 129 R HN 0.567 nan 8.270 nan 0.000 0.491 130 S N 0.879 115.943 115.700 -1.061 0.000 2.537 130 S HA 0.312 4.796 4.470 0.022 0.000 0.270 130 S C -0.220 174.069 174.600 -0.518 0.000 1.142 130 S CA -0.703 57.136 58.200 -0.601 0.000 0.870 130 S CB 0.486 63.518 63.200 -0.281 0.000 1.112 130 S HN 0.573 nan 8.310 nan 0.000 0.466 131 Y N 1.751 121.970 120.300 -0.136 0.000 2.220 131 Y HA -0.009 4.550 4.550 0.016 0.000 0.291 131 Y C 2.808 178.380 175.900 -0.546 0.000 1.129 131 Y CA 1.787 59.650 58.100 -0.394 0.000 1.161 131 Y CB -0.171 37.788 38.460 -0.835 0.000 0.997 131 Y HN 0.822 nan 8.280 nan 0.000 0.522 132 T N -5.495 108.896 114.554 -0.271 0.000 2.969 132 T HA 0.370 4.733 4.350 0.022 0.000 0.250 132 T C 1.817 176.457 174.700 -0.101 0.000 1.021 132 T CA 0.452 62.429 62.100 -0.206 0.000 1.003 132 T CB 0.169 68.938 68.868 -0.166 0.000 1.040 132 T HN 0.414 nan 8.240 nan 0.000 0.492 133 G N 1.742 110.478 108.800 -0.106 0.000 2.189 133 G HA2 -0.238 3.735 3.960 0.022 0.000 0.267 133 G HA3 -0.238 3.735 3.960 0.022 0.000 0.267 133 G C -0.001 174.867 174.900 -0.052 0.000 0.975 133 G CA 0.503 45.553 45.100 -0.083 0.000 0.644 133 G HN 0.666 nan 8.290 nan 0.000 0.537 134 L N 0.138 121.341 121.223 -0.032 0.000 2.417 134 L HA 0.295 4.648 4.340 0.022 0.000 0.268 134 L C -0.380 176.475 176.870 -0.025 0.000 1.158 134 L CA -1.804 53.032 54.840 -0.007 0.000 0.819 134 L CB 0.807 42.882 42.059 0.026 0.000 1.112 134 L HN -0.121 nan 8.230 nan 0.000 0.458 135 P HA -0.150 nan 4.420 nan 0.000 0.215 135 P C 0.610 177.839 177.300 -0.119 0.000 1.153 135 P CA 1.218 64.242 63.100 -0.127 0.000 0.853 135 P CB 0.162 31.850 31.700 -0.020 0.000 0.788 136 D N -0.677 119.785 120.400 0.104 0.000 2.149 136 D HA -0.196 4.457 4.640 0.022 0.000 0.198 136 D C 1.970 178.397 176.300 0.213 0.000 0.990 136 D CA 1.064 55.206 54.000 0.235 0.000 0.839 136 D CB -0.435 40.498 40.800 0.222 0.000 0.948 136 D HN 0.351 nan 8.370 nan 0.000 0.460 137 E N 0.431 120.715 120.200 0.140 0.000 2.077 137 E HA -0.188 4.175 4.350 0.022 0.000 0.193 137 E C 2.057 178.728 176.600 0.119 0.000 0.989 137 E CA 1.001 57.500 56.400 0.166 0.000 0.800 137 E CB -0.065 29.714 29.700 0.131 0.000 0.746 137 E HN 0.251 nan 8.360 nan 0.000 0.452 138 A N 1.033 123.850 122.820 -0.005 0.000 1.908 138 A HA -0.224 4.109 4.320 0.022 0.000 0.218 138 A C 1.958 179.549 177.584 0.012 0.000 1.181 138 A CA 1.740 53.739 52.037 -0.063 0.000 0.627 138 A CB -0.894 17.990 19.000 -0.195 0.000 0.818 138 A HN 0.391 nan 8.150 nan 0.000 0.445 139 H N -1.122 118.044 119.070 0.161 0.000 2.353 139 H HA -0.088 4.482 4.556 0.023 0.000 0.300 139 H C 2.067 177.579 175.328 0.307 0.000 1.090 139 H CA 1.627 57.845 56.048 0.283 0.000 1.327 139 H CB -0.640 29.280 29.762 0.263 0.000 1.383 139 H HN 0.406 nan 8.280 nan 0.000 0.508 140 L N 0.926 122.364 121.223 0.358 0.000 2.012 140 L HA -0.160 4.194 4.340 0.022 0.000 0.210 140 L C 2.384 179.372 176.870 0.197 0.000 1.073 140 L CA 1.313 56.325 54.840 0.286 0.000 0.748 140 L CB -0.781 41.468 42.059 0.317 0.000 0.891 140 L HN 0.133 nan 8.230 nan 0.000 0.431 141 L N -0.954 120.368 121.223 0.164 0.000 2.046 141 L HA -0.194 4.160 4.340 0.022 0.000 0.208 141 L C 2.543 179.438 176.870 0.041 0.000 1.077 141 L CA 1.451 56.349 54.840 0.097 0.000 0.747 141 L CB -0.781 41.332 42.059 0.091 0.000 0.896 141 L HN 0.324 nan 8.230 nan 0.000 0.432 142 E N 0.871 121.095 120.200 0.039 0.000 2.110 142 E HA -0.210 4.153 4.350 0.022 0.000 0.193 142 E C 2.236 178.713 176.600 -0.204 0.000 0.988 142 E CA 1.676 58.020 56.400 -0.092 0.000 0.804 142 E CB -0.151 29.479 29.700 -0.117 0.000 0.745 142 E HN 0.460 nan 8.360 nan 0.000 0.458 143 S N -0.746 114.904 115.700 -0.084 0.000 2.383 143 S HA -0.165 4.318 4.470 0.022 0.000 0.229 143 S C 2.085 176.667 174.600 -0.029 0.000 1.030 143 S CA 1.458 59.639 58.200 -0.033 0.000 1.002 143 S CB -0.724 62.600 63.200 0.206 0.000 0.829 143 S HN 0.141 nan 8.310 nan 0.000 0.467 144 V N 2.145 122.048 119.914 -0.018 0.000 2.407 144 V HA -0.025 4.108 4.120 0.022 0.000 0.245 144 V C 2.861 178.913 176.094 -0.071 0.000 1.041 144 V CA 1.782 64.055 62.300 -0.045 0.000 1.040 144 V CB -0.806 30.987 31.823 -0.050 0.000 0.671 144 V HN 0.442 nan 8.190 nan 0.000 0.455 145 R N -0.141 120.317 120.500 -0.070 0.000 2.120 145 R HA -0.080 4.273 4.340 0.022 0.000 0.234 145 R C 2.211 178.481 176.300 -0.049 0.000 1.123 145 R CA 1.406 57.473 56.100 -0.054 0.000 0.975 145 R CB -0.461 29.814 30.300 -0.042 0.000 0.866 145 R HN 0.438 nan 8.270 nan 0.000 0.446 146 I N 0.413 120.929 120.570 -0.091 0.000 2.208 146 I HA -0.297 3.886 4.170 0.022 0.000 0.245 146 I C 2.027 178.119 176.117 -0.042 0.000 1.097 146 I CA 1.820 63.071 61.300 -0.081 0.000 1.363 146 I CB -0.105 37.824 38.000 -0.118 0.000 1.051 146 I HN 0.244 nan 8.210 nan 0.000 0.413 147 S N -1.405 114.266 115.700 -0.049 0.000 2.559 147 S HA 0.098 4.581 4.470 0.022 0.000 0.226 147 S C 1.568 176.129 174.600 -0.065 0.000 1.030 147 S CA -0.329 57.837 58.200 -0.056 0.000 0.956 147 S CB 0.023 63.172 63.200 -0.084 0.000 0.900 147 S HN 0.208 nan 8.310 nan 0.000 0.510 148 M N 3.569 123.135 119.600 -0.057 0.000 2.065 148 M HA 0.149 4.643 4.480 0.022 0.000 0.259 148 M C 2.161 178.460 176.300 -0.002 0.000 1.069 148 M CA 2.103 57.364 55.300 -0.064 0.000 1.110 148 M CB -1.014 31.523 32.600 -0.105 0.000 1.328 148 M HN 0.413 nan 8.290 nan 0.000 0.405 149 A N -0.332 122.562 122.820 0.123 0.000 1.933 149 A HA 0.054 4.387 4.320 0.022 0.000 0.218 149 A C 2.366 179.940 177.584 -0.017 0.000 1.175 149 A CA 2.040 54.149 52.037 0.121 0.000 0.628 149 A CB -1.447 17.676 19.000 0.205 0.000 0.814 149 A HN 0.685 nan 8.150 nan 0.000 0.444 150 A N -0.536 122.306 122.820 0.036 0.000 1.933 150 A HA -0.013 4.320 4.320 0.022 0.000 0.218 150 A C 2.110 179.677 177.584 -0.028 0.000 1.175 150 A CA 1.684 53.788 52.037 0.112 0.000 0.628 150 A CB -0.568 18.484 19.000 0.087 0.000 0.814 150 A HN 0.685 nan 8.150 nan 0.000 0.444 151 L N 0.220 121.358 121.223 -0.141 0.000 2.046 151 L HA -0.139 4.215 4.340 0.022 0.000 0.208 151 L C 2.124 178.759 176.870 -0.392 0.000 1.077 151 L CA 2.383 57.075 54.840 -0.246 0.000 0.747 151 L CB -0.708 41.194 42.059 -0.262 0.000 0.896 151 L HN 0.525 nan 8.230 nan 0.000 0.432 152 E N -0.382 119.515 120.200 -0.504 0.000 2.077 152 E HA -0.218 4.146 4.350 0.022 0.000 0.193 152 E C 2.182 178.233 176.600 -0.915 0.000 0.989 152 E CA 1.158 57.077 56.400 -0.803 0.000 0.800 152 E CB -0.338 28.720 29.700 -1.070 0.000 0.746 152 E HN 0.659 nan 8.360 nan 0.000 0.452 153 A N 1.547 123.878 122.820 -0.815 0.000 1.902 153 A HA -0.138 4.195 4.320 0.022 0.000 0.217 153 A C 2.410 179.737 177.584 -0.430 0.000 1.181 153 A CA 1.712 53.492 52.037 -0.428 0.000 0.623 153 A CB -0.669 18.158 19.000 -0.288 0.000 0.818 153 A HN 0.298 nan 8.150 nan 0.000 0.443 154 A N -0.068 122.522 122.820 -0.383 0.000 1.902 154 A HA -0.108 4.225 4.320 0.022 0.000 0.217 154 A C 2.106 179.524 177.584 -0.278 0.000 1.181 154 A CA 1.565 53.426 52.037 -0.295 0.000 0.623 154 A CB -0.631 18.255 19.000 -0.190 0.000 0.818 154 A HN 0.510 nan 8.150 nan 0.000 0.443 155 I N -0.217 120.158 120.570 -0.324 0.000 2.163 155 I HA -0.311 3.872 4.170 0.022 0.000 0.243 155 I C 2.995 179.001 176.117 -0.185 0.000 1.085 155 I CA 1.160 62.280 61.300 -0.299 0.000 1.347 155 I CB -0.368 37.367 38.000 -0.442 0.000 1.044 155 I HN 0.358 nan 8.210 nan 0.000 0.408 156 A N 0.895 123.635 122.820 -0.134 0.000 1.883 156 A HA -0.185 4.148 4.320 0.022 0.000 0.217 156 A C 2.295 179.829 177.584 -0.083 0.000 1.186 156 A CA 1.564 53.578 52.037 -0.037 0.000 0.624 156 A CB -0.973 18.063 19.000 0.060 0.000 0.822 156 A HN 0.408 nan 8.150 nan 0.000 0.444 157 L N -0.734 120.396 121.223 -0.156 0.000 2.131 157 L HA -0.158 4.195 4.340 0.022 0.000 0.210 157 L C 2.707 179.495 176.870 -0.137 0.000 1.092 157 L CA 1.664 56.409 54.840 -0.158 0.000 0.759 157 L CB -0.827 41.097 42.059 -0.226 0.000 0.903 157 L HN 0.361 nan 8.230 nan 0.000 0.435 158 T N -0.814 113.648 114.554 -0.154 0.000 2.812 158 T HA -0.108 4.256 4.350 0.022 0.000 0.264 158 T C 2.026 176.656 174.700 -0.117 0.000 1.042 158 T CA 1.072 63.081 62.100 -0.151 0.000 1.140 158 T CB -0.129 68.622 68.868 -0.194 0.000 0.870 158 T HN 0.050 nan 8.240 nan 0.000 0.445 159 V N 1.691 121.531 119.914 -0.124 0.000 2.407 159 V HA -0.176 3.957 4.120 0.022 0.000 0.248 159 V C 2.454 178.598 176.094 0.084 0.000 1.055 159 V CA 1.660 63.928 62.300 -0.053 0.000 1.049 159 V CB -0.601 31.232 31.823 0.017 0.000 0.662 159 V HN 0.549 nan 8.190 nan 0.000 0.455 160 E N -0.211 120.009 120.200 0.033 0.000 2.072 160 E HA -0.217 4.146 4.350 0.022 0.000 0.191 160 E C 2.126 178.754 176.600 0.047 0.000 0.985 160 E CA 1.191 57.617 56.400 0.044 0.000 0.801 160 E CB -0.225 29.474 29.700 -0.003 0.000 0.750 160 E HN 0.410 nan 8.360 nan 0.000 0.452 161 L N 0.557 121.770 121.223 -0.016 0.000 2.083 161 L HA -0.136 4.218 4.340 0.022 0.000 0.209 161 L C 2.015 178.909 176.870 0.040 0.000 1.083 161 L CA 1.390 56.173 54.840 -0.094 0.000 0.752 161 L CB -0.496 41.419 42.059 -0.240 0.000 0.899 161 L HN 0.073 nan 8.230 nan 0.000 0.433 162 F N 0.485 120.424 119.950 -0.018 0.000 2.147 162 F HA -0.288 4.252 4.527 0.022 0.000 0.301 162 F C 1.878 177.753 175.800 0.126 0.000 1.084 162 F CA 2.127 60.169 58.000 0.070 0.000 1.268 162 F CB -0.140 38.906 39.000 0.076 0.000 1.009 162 F HN 0.232 nan 8.300 nan 0.000 0.486 163 D N -0.088 120.475 120.400 0.271 0.000 2.328 163 D HA 0.099 4.752 4.640 0.022 0.000 0.221 163 D C -0.129 176.233 176.300 0.104 0.000 1.072 163 D CA 0.312 54.418 54.000 0.177 0.000 0.850 163 D CB 0.254 41.178 40.800 0.207 0.000 0.922 163 D HN -0.034 nan 8.370 nan 0.000 0.516 164 V N 1.091 121.072 119.914 0.111 0.000 2.407 164 V HA 0.107 4.240 4.120 0.022 0.000 0.278 164 V C 0.651 176.880 176.094 0.226 0.000 1.037 164 V CA -0.663 61.721 62.300 0.139 0.000 0.900 164 V CB 1.624 33.510 31.823 0.104 0.000 0.983 164 V HN -0.028 nan 8.190 nan 0.000 0.459 165 S N 3.607 119.387 115.700 0.134 0.000 2.549 165 S HA 0.118 4.601 4.470 0.022 0.000 0.283 165 S C 0.963 175.605 174.600 0.070 0.000 1.320 165 S CA -0.525 57.717 58.200 0.070 0.000 1.058 165 S CB 0.526 63.736 63.200 0.017 0.000 0.882 165 S HN 0.642 nan 8.310 nan 0.000 0.498 166 L N 5.704 126.840 121.223 -0.145 0.000 2.265 166 L HA 0.059 4.412 4.340 0.022 0.000 0.215 166 L C 2.355 179.142 176.870 -0.139 0.000 1.117 166 L CA 1.630 56.230 54.840 -0.401 0.000 0.782 166 L CB -0.348 41.390 42.059 -0.534 0.000 0.914 166 L HN 0.702 nan 8.230 nan 0.000 0.441 167 R N -1.381 119.080 120.500 -0.065 0.000 2.235 167 R HA 0.038 4.391 4.340 0.022 0.000 0.213 167 R C 1.025 177.281 176.300 -0.073 0.000 1.059 167 R CA 0.526 56.615 56.100 -0.018 0.000 0.997 167 R CB -0.266 30.022 30.300 -0.019 0.000 0.884 167 R HN 0.334 nan 8.270 nan 0.000 0.462 168 S N 1.260 116.920 115.700 -0.067 0.000 2.537 168 S HA 0.178 4.661 4.470 0.022 0.000 0.275 168 S C -1.587 172.943 174.600 -0.116 0.000 1.272 168 S CA -1.877 56.240 58.200 -0.139 0.000 1.050 168 S CB 1.233 64.415 63.200 -0.029 0.000 0.961 168 S HN -0.066 nan 8.310 nan 0.000 0.496 169 P HA -0.100 nan 4.420 nan 0.000 0.223 169 P C 0.828 178.172 177.300 0.073 0.000 1.144 169 P CA 0.978 64.076 63.100 -0.003 0.000 0.783 169 P CB 0.102 31.791 31.700 -0.019 0.000 0.771 170 E N -1.157 119.068 120.200 0.041 0.000 2.153 170 E HA -0.175 4.189 4.350 0.022 0.000 0.194 170 E C 1.794 178.443 176.600 0.082 0.000 0.988 170 E CA 0.701 57.131 56.400 0.051 0.000 0.811 170 E CB -0.524 29.194 29.700 0.030 0.000 0.746 170 E HN 0.254 nan 8.360 nan 0.000 0.466 171 F N 1.400 121.354 119.950 0.008 0.000 2.075 171 F HA -0.244 4.296 4.527 0.022 0.000 0.297 171 F C 2.356 178.178 175.800 0.036 0.000 1.113 171 F CA 1.613 59.625 58.000 0.021 0.000 1.218 171 F CB -0.230 38.782 39.000 0.020 0.000 0.984 171 F HN -0.040 nan 8.300 nan 0.000 0.472 172 A N -0.140 122.881 122.820 0.334 0.000 1.908 172 A HA -0.275 4.058 4.320 0.022 0.000 0.218 172 A C 2.097 179.737 177.584 0.094 0.000 1.181 172 A CA 2.046 54.215 52.037 0.220 0.000 0.627 172 A CB -0.943 18.175 19.000 0.196 0.000 0.818 172 A HN 0.621 nan 8.150 nan 0.000 0.445 173 Q N -1.021 118.821 119.800 0.071 0.000 2.050 173 Q HA -0.141 4.212 4.340 0.022 0.000 0.202 173 Q C 2.381 178.380 176.000 -0.002 0.000 0.980 173 Q CA 1.220 57.045 55.803 0.037 0.000 0.840 173 Q CB -0.204 28.557 28.738 0.039 0.000 0.898 173 Q HN 0.516 nan 8.270 nan 0.000 0.424 174 R N 0.194 120.663 120.500 -0.052 0.000 2.092 174 R HA -0.031 4.323 4.340 0.022 0.000 0.231 174 R C 2.315 178.536 176.300 -0.133 0.000 1.119 174 R CA 1.070 57.108 56.100 -0.104 0.000 0.970 174 R CB -0.500 29.698 30.300 -0.169 0.000 0.864 174 R HN 0.158 nan 8.270 nan 0.000 0.440 175 S N 1.356 116.951 115.700 -0.176 0.000 2.368 175 S HA -0.117 4.366 4.470 0.022 0.000 0.225 175 S C 1.351 175.931 174.600 -0.033 0.000 1.030 175 S CA 1.358 59.478 58.200 -0.134 0.000 0.999 175 S CB -0.203 62.945 63.200 -0.086 0.000 0.844 175 S HN 0.257 nan 8.310 nan 0.000 0.459 176 D N 1.062 121.465 120.400 0.004 0.000 2.123 176 D HA -0.122 4.532 4.640 0.022 0.000 0.196 176 D C 1.965 178.288 176.300 0.037 0.000 0.992 176 D CA 0.996 55.012 54.000 0.027 0.000 0.833 176 D CB -0.330 40.492 40.800 0.037 0.000 0.954 176 D HN 0.543 nan 8.370 nan 0.000 0.455 177 E N -0.060 120.167 120.200 0.045 0.000 2.051 177 E HA -0.171 4.192 4.350 0.022 0.000 0.192 177 E C 2.117 178.821 176.600 0.173 0.000 0.991 177 E CA 0.467 56.935 56.400 0.113 0.000 0.799 177 E CB -0.108 29.650 29.700 0.096 0.000 0.748 177 E HN 0.088 nan 8.360 nan 0.000 0.449 178 L N 1.857 123.111 121.223 0.052 0.000 2.042 178 L HA -0.207 4.146 4.340 0.022 0.000 0.210 178 L C 2.262 179.164 176.870 0.053 0.000 1.076 178 L CA 2.017 56.868 54.840 0.019 0.000 0.749 178 L CB -0.599 41.411 42.059 -0.083 0.000 0.893 178 L HN 0.204 nan 8.230 nan 0.000 0.432 179 E N -0.099 120.118 120.200 0.028 0.000 2.077 179 E HA -0.225 4.138 4.350 0.022 0.000 0.193 179 E C 2.033 178.647 176.600 0.024 0.000 0.989 179 E CA 1.316 57.724 56.400 0.015 0.000 0.800 179 E CB -0.095 29.613 29.700 0.013 0.000 0.746 179 E HN 0.621 nan 8.360 nan 0.000 0.452 180 A N -0.100 122.740 122.820 0.034 0.000 1.933 180 A HA -0.177 4.156 4.320 0.022 0.000 0.218 180 A C 1.995 179.514 177.584 -0.108 0.000 1.175 180 A CA 1.318 53.328 52.037 -0.044 0.000 0.628 180 A CB -0.816 18.135 19.000 -0.082 0.000 0.814 180 A HN 0.360 nan 8.150 nan 0.000 0.444 181 Y N -0.363 119.909 120.300 -0.048 0.000 2.286 181 Y HA 0.015 4.578 4.550 0.022 0.000 0.293 181 Y C 2.110 177.961 175.900 -0.082 0.000 1.124 181 Y CA 1.125 59.188 58.100 -0.062 0.000 1.178 181 Y CB -0.207 38.208 38.460 -0.075 0.000 1.010 181 Y HN 0.155 nan 8.280 nan 0.000 0.536 182 L N -0.144 121.112 121.223 0.054 0.000 2.275 182 L HA -0.202 4.151 4.340 0.022 0.000 0.215 182 L C 2.361 179.214 176.870 -0.028 0.000 1.119 182 L CA 0.878 55.703 54.840 -0.026 0.000 0.790 182 L CB -0.370 41.661 42.059 -0.048 0.000 0.919 182 L HN 0.208 nan 8.230 nan 0.000 0.443 183 Q N 0.667 120.458 119.800 -0.016 0.000 2.234 183 Q HA -0.211 4.142 4.340 0.022 0.000 0.206 183 Q C 2.037 178.032 176.000 -0.008 0.000 0.980 183 Q CA 1.517 57.314 55.803 -0.009 0.000 0.869 183 Q CB -0.004 28.722 28.738 -0.021 0.000 0.912 183 Q HN 0.199 nan 8.270 nan 0.000 0.436 184 K N -0.478 119.904 120.400 -0.030 0.000 2.152 184 K HA -0.110 4.223 4.320 0.022 0.000 0.206 184 K C 1.803 178.391 176.600 -0.021 0.000 1.048 184 K CA 1.185 57.456 56.287 -0.026 0.000 0.933 184 K CB -0.189 32.288 32.500 -0.039 0.000 0.721 184 K HN 0.375 nan 8.250 nan 0.000 0.447 185 M N 0.424 119.988 119.600 -0.061 0.000 2.159 185 M HA -0.122 4.371 4.480 0.022 0.000 0.263 185 M C 2.336 178.706 176.300 0.115 0.000 1.063 185 M CA 1.149 56.388 55.300 -0.102 0.000 1.110 185 M CB -1.017 31.368 32.600 -0.359 0.000 1.374 185 M HN -0.144 nan 8.290 nan 0.000 0.411 186 V N 0.045 120.034 119.914 0.125 0.000 2.358 186 V HA -0.238 3.895 4.120 0.022 0.000 0.246 186 V C 2.364 178.542 176.094 0.141 0.000 1.047 186 V CA 1.878 64.277 62.300 0.164 0.000 1.035 186 V CB -0.813 31.070 31.823 0.101 0.000 0.658 186 V HN 0.497 nan 8.190 nan 0.000 0.452 187 E N 0.226 120.486 120.200 0.100 0.000 2.085 187 E HA -0.226 4.137 4.350 0.022 0.000 0.194 187 E C 2.361 179.063 176.600 0.169 0.000 0.994 187 E CA 1.635 58.102 56.400 0.111 0.000 0.801 187 E CB -0.088 29.653 29.700 0.069 0.000 0.743 187 E HN 0.592 nan 8.360 nan 0.000 0.453 188 S N 0.429 116.219 115.700 0.150 0.000 2.359 188 S HA -0.152 4.332 4.470 0.022 0.000 0.224 188 S C 1.880 176.657 174.600 0.294 0.000 1.035 188 S CA 1.011 59.323 58.200 0.186 0.000 1.018 188 S CB -0.113 63.163 63.200 0.127 0.000 0.876 188 S HN 0.313 nan 8.310 nan 0.000 0.448 189 I N 1.179 121.937 120.570 0.313 0.000 2.353 189 I HA -0.061 4.123 4.170 0.022 0.000 0.248 189 I C 2.273 178.595 176.117 0.343 0.000 1.119 189 I CA 0.848 62.356 61.300 0.347 0.000 1.417 189 I CB -1.424 36.779 38.000 0.338 0.000 1.078 189 I HN 0.150 nan 8.210 nan 0.000 0.421 190 V N 0.586 120.638 119.914 0.229 0.000 2.287 190 V HA -0.339 3.794 4.120 0.022 0.000 0.248 190 V C 2.439 178.651 176.094 0.197 0.000 1.053 190 V CA 2.003 64.391 62.300 0.146 0.000 1.027 190 V CB -0.945 30.929 31.823 0.085 0.000 0.646 190 V HN 0.329 nan 8.190 nan 0.000 0.447 191 Y N 1.126 121.517 120.300 0.152 0.000 2.128 191 Y HA -0.262 4.300 4.550 0.021 0.000 0.284 191 Y C 2.413 178.439 175.900 0.209 0.000 1.154 191 Y CA 1.800 60.027 58.100 0.211 0.000 1.149 191 Y CB -0.520 38.079 38.460 0.232 0.000 0.976 191 Y HN 0.165 nan 8.280 nan 0.000 0.505 192 A N -0.690 122.344 122.820 0.358 0.000 1.908 192 A HA -0.246 4.087 4.320 0.022 0.000 0.218 192 A C 2.046 179.657 177.584 0.046 0.000 1.181 192 A CA 1.854 54.017 52.037 0.209 0.000 0.627 192 A CB -1.508 17.603 19.000 0.184 0.000 0.818 192 A HN 0.668 nan 8.150 nan 0.000 0.445 193 Y N -0.629 119.651 120.300 -0.035 0.000 2.165 193 Y HA -0.220 4.344 4.550 0.024 0.000 0.286 193 Y C 2.714 178.493 175.900 -0.202 0.000 1.155 193 Y CA 2.163 60.205 58.100 -0.096 0.000 1.164 193 Y CB -0.144 38.267 38.460 -0.082 0.000 0.978 193 Y HN 0.301 nan 8.280 nan 0.000 0.513 194 R N -1.086 119.297 120.500 -0.195 0.000 2.073 194 R HA -0.120 4.234 4.340 0.022 0.000 0.229 194 R C 1.056 176.890 176.300 -0.776 0.000 1.120 194 R CA 1.730 57.468 56.100 -0.604 0.000 0.967 194 R CB -0.171 29.531 30.300 -0.997 0.000 0.862 194 R HN 0.280 nan 8.270 nan 0.000 0.436 195 F N -0.650 119.087 119.950 -0.356 0.000 2.740 195 F HA 0.345 4.885 4.527 0.021 0.000 0.304 195 F C 0.327 175.967 175.800 -0.267 0.000 1.098 195 F CA -0.371 57.321 58.000 -0.513 0.000 1.258 195 F CB 0.596 38.944 39.000 -1.086 0.000 1.061 195 F HN -0.182 nan 8.300 nan 0.000 0.598 196 I N 0.194 120.785 120.570 0.034 0.000 2.321 196 I HA 0.173 4.356 4.170 0.022 0.000 0.291 196 I C 0.474 176.627 176.117 0.059 0.000 0.998 196 I CA -0.700 60.671 61.300 0.119 0.000 1.227 196 I CB 1.361 39.449 38.000 0.147 0.000 1.368 196 I HN -0.163 nan 8.210 nan 0.000 0.466 197 S N 7.982 123.745 115.700 0.105 0.000 2.465 197 S HA 0.207 4.690 4.470 0.022 0.000 0.280 197 S C -1.469 173.198 174.600 0.112 0.000 1.232 197 S CA -1.128 57.120 58.200 0.080 0.000 1.066 197 S CB 0.720 63.976 63.200 0.093 0.000 0.929 197 S HN 0.370 nan 8.310 nan 0.000 0.494 198 P HA -0.145 nan 4.420 nan 0.000 0.218 198 P C 1.620 179.027 177.300 0.179 0.000 1.148 198 P CA 0.665 63.820 63.100 0.090 0.000 0.822 198 P CB 0.066 31.757 31.700 -0.015 0.000 0.784 199 Q N 0.259 120.126 119.800 0.112 0.000 2.046 199 Q HA -0.108 4.245 4.340 0.022 0.000 0.200 199 Q C 1.936 178.020 176.000 0.140 0.000 0.975 199 Q CA 1.694 57.562 55.803 0.108 0.000 0.836 199 Q CB -0.810 27.962 28.738 0.055 0.000 0.896 199 Q HN 0.079 nan 8.270 nan 0.000 0.428 200 V N 1.181 121.177 119.914 0.136 0.000 2.427 200 V HA -0.214 3.920 4.120 0.022 0.000 0.248 200 V C 2.204 178.384 176.094 0.144 0.000 1.051 200 V CA 1.734 64.109 62.300 0.124 0.000 1.048 200 V CB -0.930 30.967 31.823 0.124 0.000 0.666 200 V HN 0.327 nan 8.190 nan 0.000 0.456 201 F N 0.251 120.256 119.950 0.093 0.000 2.069 201 F HA -0.268 4.274 4.527 0.025 0.000 0.298 201 F C 2.323 178.161 175.800 0.063 0.000 1.113 201 F CA 2.122 60.183 58.000 0.102 0.000 1.214 201 F CB -0.563 38.509 39.000 0.120 0.000 0.978 201 F HN 0.191 nan 8.300 nan 0.000 0.474 202 Y N 1.029 121.338 120.300 0.016 0.000 2.181 202 Y HA -0.227 4.336 4.550 0.021 0.000 0.288 202 Y C 2.181 177.947 175.900 -0.223 0.000 1.146 202 Y CA 2.214 60.223 58.100 -0.150 0.000 1.164 202 Y CB -0.459 37.955 38.460 -0.076 0.000 0.982 202 Y HN 0.103 nan 8.280 nan 0.000 0.515 203 D N -0.977 119.425 120.400 0.004 0.000 2.240 203 D HA -0.070 4.584 4.640 0.022 0.000 0.206 203 D C 1.709 177.935 176.300 -0.123 0.000 0.963 203 D CA 1.072 55.047 54.000 -0.042 0.000 0.863 203 D CB 0.115 40.937 40.800 0.038 0.000 0.973 203 D HN 0.435 nan 8.370 nan 0.000 0.501 204 E N -0.518 119.616 120.200 -0.110 0.000 2.399 204 E HA 0.183 4.546 4.350 0.022 0.000 0.205 204 E C 2.120 178.685 176.600 -0.059 0.000 0.906 204 E CA 0.069 56.438 56.400 -0.051 0.000 0.998 204 E CB 0.857 30.570 29.700 0.021 0.000 1.002 204 E HN 0.246 nan 8.360 nan 0.000 0.501 205 L N 0.179 121.263 121.223 -0.231 0.000 2.347 205 L HA 0.232 4.585 4.340 0.022 0.000 0.196 205 L C 2.685 179.079 176.870 -0.792 0.000 1.072 205 L CA 0.115 54.757 54.840 -0.330 0.000 0.817 205 L CB -0.341 41.626 42.059 -0.154 0.000 1.029 205 L HN -0.032 nan 8.230 nan 0.000 0.478 206 R N 1.188 121.112 120.500 -0.960 0.000 2.140 206 R HA -0.203 4.151 4.340 0.022 0.000 0.250 206 R C -0.579 175.291 176.300 -0.716 0.000 1.150 206 R CA 2.077 57.654 56.100 -0.872 0.000 0.966 206 R CB -1.244 28.499 30.300 -0.928 0.000 0.869 206 R HN 0.207 nan 8.270 nan 0.000 0.445 207 P HA -0.132 nan 4.420 nan 0.000 0.221 207 P C 0.374 177.201 177.300 -0.788 0.000 1.145 207 P CA 1.241 63.949 63.100 -0.653 0.000 0.795 207 P CB -0.083 31.219 31.700 -0.663 0.000 0.775 208 F N -3.377 116.055 119.950 -0.863 0.000 2.789 208 F HA 0.035 4.567 4.527 0.009 0.000 0.300 208 F C 0.924 176.259 175.800 -0.775 0.000 1.132 208 F CA 0.531 57.971 58.000 -0.932 0.000 1.404 208 F CB -0.397 37.838 39.000 -1.275 0.000 1.114 208 F HN -0.053 nan 8.300 nan 0.000 0.584 209 Y N -0.223 119.932 120.300 -0.241 0.000 2.708 209 Y HA 0.255 4.821 4.550 0.027 0.000 0.287 209 Y C 0.639 176.479 175.900 -0.100 0.000 1.145 209 Y CA -1.305 56.703 58.100 -0.154 0.000 1.249 209 Y CB -1.167 37.237 38.460 -0.094 0.000 1.152 209 Y HN -0.136 nan 8.280 nan 0.000 0.532 210 E N 1.690 121.868 120.200 -0.036 0.000 2.374 210 E HA 0.212 4.576 4.350 0.022 0.000 0.260 210 E C -2.374 174.241 176.600 0.026 0.000 1.101 210 E CA -1.869 54.514 56.400 -0.029 0.000 0.907 210 E CB 0.401 30.042 29.700 -0.099 0.000 1.014 210 E HN 0.081 nan 8.360 nan 0.000 0.427 211 P HA 0.168 nan 4.420 nan 0.000 0.272 211 P C -0.359 176.983 177.300 0.070 0.000 1.223 211 P CA 0.058 63.198 63.100 0.067 0.000 0.784 211 P CB 0.388 32.113 31.700 0.043 0.000 0.923 212 I N -1.727 118.915 120.570 0.119 0.000 2.892 212 I HA 0.638 4.822 4.170 0.022 0.000 0.306 212 I C -0.542 175.661 176.117 0.144 0.000 1.078 212 I CA -1.506 59.864 61.300 0.117 0.000 1.032 212 I CB 2.562 40.640 38.000 0.130 0.000 1.229 212 I HN 0.051 nan 8.210 nan 0.000 0.435 213 R N 2.635 123.203 120.500 0.113 0.000 2.294 213 R HA 0.741 5.095 4.340 0.022 0.000 0.319 213 R C -1.318 175.071 176.300 0.148 0.000 0.984 213 R CA -0.804 55.361 56.100 0.109 0.000 0.861 213 R CB 2.188 32.522 30.300 0.055 0.000 1.104 213 R HN 0.576 nan 8.270 nan 0.000 0.451 214 V N 1.997 122.044 119.914 0.221 0.000 2.777 214 V HA 0.507 4.641 4.120 0.022 0.000 0.306 214 V C 0.401 176.631 176.094 0.228 0.000 1.112 214 V CA 0.372 62.796 62.300 0.206 0.000 0.917 214 V CB 1.705 33.644 31.823 0.193 0.000 1.018 214 V HN 0.993 nan 8.190 nan 0.000 0.426 215 G N 4.308 113.186 108.800 0.130 0.000 2.179 215 G HA2 0.039 4.012 3.960 0.022 0.000 0.257 215 G HA3 0.039 4.012 3.960 0.022 0.000 0.257 215 G C 1.417 176.364 174.900 0.077 0.000 1.010 215 G CA 0.880 46.044 45.100 0.107 0.000 0.736 215 G HN 2.662 nan 8.290 nan 0.000 0.513 216 G N -1.563 107.271 108.800 0.056 0.000 2.147 216 G HA2 0.064 4.037 3.960 0.022 0.000 0.244 216 G HA3 0.064 4.037 3.960 0.022 0.000 0.244 216 G C 0.180 175.071 174.900 -0.016 0.000 1.005 216 G CA 1.508 46.620 45.100 0.019 0.000 0.713 216 G HN 2.139 nan 8.290 nan 0.000 0.515 217 Q N -1.620 118.156 119.800 -0.040 0.000 2.553 217 Q HA 0.756 5.109 4.340 0.022 0.000 0.293 217 Q C -0.820 175.038 176.000 -0.237 0.000 1.038 217 Q CA -0.577 55.126 55.803 -0.166 0.000 0.777 217 Q CB 1.300 29.877 28.738 -0.269 0.000 1.487 217 Q HN 0.502 nan 8.270 nan 0.000 0.426 218 S N 0.182 115.707 115.700 -0.293 0.000 2.480 218 S HA 0.563 5.046 4.470 0.022 0.000 0.286 218 S C -1.646 172.747 174.600 -0.345 0.000 1.180 218 S CA -0.321 57.761 58.200 -0.196 0.000 1.075 218 S CB 0.210 63.353 63.200 -0.096 0.000 0.996 218 S HN 0.432 nan 8.310 nan 0.000 0.487 219 Y N 4.069 124.426 120.300 0.096 0.000 2.341 219 Y HA 0.438 5.001 4.550 0.022 0.000 0.338 219 Y C 0.304 176.307 175.900 0.171 0.000 0.965 219 Y CA -0.882 57.332 58.100 0.190 0.000 1.108 219 Y CB 0.987 39.559 38.460 0.185 0.000 1.180 219 Y HN 0.499 nan 8.280 nan 0.000 0.458 220 L N 2.929 124.324 121.223 0.286 0.000 2.483 220 L HA 0.253 4.606 4.340 0.022 0.000 0.275 220 L C 1.182 178.098 176.870 0.077 0.000 1.220 220 L CA -0.004 54.871 54.840 0.059 0.000 0.833 220 L CB 0.212 42.171 42.059 -0.168 0.000 1.102 220 L HN 0.837 nan 8.230 nan 0.000 0.490 221 G N 1.380 110.224 108.800 0.074 0.000 2.580 221 G HA2 0.427 4.401 3.960 0.022 0.000 0.278 221 G HA3 0.427 4.401 3.960 0.022 0.000 0.278 221 G C -2.490 172.427 174.900 0.029 0.000 1.212 221 G CA -1.000 44.161 45.100 0.103 0.000 0.939 221 G HN 0.422 nan 8.290 nan 0.000 0.513 222 P HA 0.378 nan 4.420 nan 0.000 0.269 222 P C 0.039 177.176 177.300 -0.271 0.000 1.209 222 P CA 0.127 63.168 63.100 -0.099 0.000 0.776 222 P CB 1.406 33.063 31.700 -0.072 0.000 0.876 223 G N -0.229 108.454 108.800 -0.195 0.000 2.616 223 G HA2 0.412 4.386 3.960 0.022 0.000 0.294 223 G HA3 0.412 4.386 3.960 0.022 0.000 0.294 223 G C 0.365 175.196 174.900 -0.115 0.000 1.489 223 G CA -0.055 44.940 45.100 -0.175 0.000 0.836 223 G HN 0.344 nan 8.290 nan 0.000 0.527 224 A N 0.545 123.324 122.820 -0.068 0.000 2.125 224 A HA 0.129 4.463 4.320 0.022 0.000 0.219 224 A C 2.452 180.000 177.584 -0.060 0.000 1.156 224 A CA 1.998 54.007 52.037 -0.047 0.000 0.671 224 A CB -0.316 18.690 19.000 0.010 0.000 0.794 224 A HN 1.565 nan 8.150 nan 0.000 0.459 225 V N 0.303 120.158 119.914 -0.097 0.000 2.546 225 V HA -0.268 3.865 4.120 0.022 0.000 0.254 225 V C 1.932 177.837 176.094 -0.316 0.000 1.076 225 V CA 2.613 64.780 62.300 -0.222 0.000 1.087 225 V CB -0.542 31.052 31.823 -0.382 0.000 0.674 225 V HN 0.742 nan 8.190 nan 0.000 0.470 226 E N -0.583 119.496 120.200 -0.200 0.000 2.482 226 E HA 0.063 4.426 4.350 0.022 0.000 0.196 226 E C 0.799 177.433 176.600 0.056 0.000 1.047 226 E CA -0.212 56.173 56.400 -0.026 0.000 0.869 226 E CB -0.028 29.683 29.700 0.019 0.000 0.836 226 E HN 0.588 nan 8.360 nan 0.000 0.520 227 M N 2.315 121.904 119.600 -0.019 0.000 2.251 227 M HA -0.002 4.492 4.480 0.022 0.000 0.343 227 M C -1.725 174.518 176.300 -0.094 0.000 1.245 227 M CA -0.975 54.277 55.300 -0.080 0.000 1.061 227 M CB 0.257 32.781 32.600 -0.127 0.000 1.723 227 M HN -0.190 nan 8.290 nan 0.000 0.449 228 P HA -0.036 nan 4.420 nan 0.000 0.269 228 P C 0.867 177.831 177.300 -0.561 0.000 1.461 228 P CA 0.263 63.023 63.100 -0.566 0.000 0.809 228 P CB -0.213 31.113 31.700 -0.624 0.000 1.503 229 L N 0.677 121.715 121.223 -0.309 0.000 2.079 229 L HA -0.163 4.191 4.340 0.022 0.000 0.210 229 L C 2.169 178.977 176.870 -0.103 0.000 1.081 229 L CA 1.880 56.596 54.840 -0.208 0.000 0.752 229 L CB -1.479 40.492 42.059 -0.146 0.000 0.896 229 L HN 0.006 nan 8.230 nan 0.000 0.433 230 F N -2.580 117.356 119.950 -0.022 0.000 2.269 230 F HA -0.058 4.482 4.527 0.022 0.000 0.301 230 F C 1.875 177.680 175.800 0.008 0.000 1.082 230 F CA 1.263 59.289 58.000 0.042 0.000 1.360 230 F CB -1.564 37.424 39.000 -0.020 0.000 1.041 230 F HN -0.107 nan 8.300 nan 0.000 0.512 231 V N 1.339 120.823 119.914 -0.717 0.000 2.323 231 V HA -0.240 3.894 4.120 0.022 0.000 0.244 231 V C 2.583 178.550 176.094 -0.213 0.000 1.041 231 V CA 1.706 63.778 62.300 -0.381 0.000 1.025 231 V CB -0.731 30.789 31.823 -0.505 0.000 0.656 231 V HN 0.558 nan 8.190 nan 0.000 0.451 232 L N 0.122 121.169 121.223 -0.295 0.000 1.990 232 L HA -0.260 4.093 4.340 0.022 0.000 0.213 232 L C 2.569 179.324 176.870 -0.192 0.000 1.072 232 L CA 2.125 56.815 54.840 -0.250 0.000 0.755 232 L CB -0.333 41.573 42.059 -0.254 0.000 0.889 232 L HN 0.360 nan 8.230 nan 0.000 0.432 233 E N -1.694 118.418 120.200 -0.146 0.000 2.208 233 E HA -0.256 4.107 4.350 0.022 0.000 0.193 233 E C 1.891 178.232 176.600 -0.432 0.000 0.988 233 E CA 0.844 57.085 56.400 -0.264 0.000 0.828 233 E CB -0.104 29.510 29.700 -0.143 0.000 0.763 233 E HN 0.609 nan 8.360 nan 0.000 0.478 234 H N 0.736 119.639 119.070 -0.277 0.000 2.290 234 H HA -0.139 4.430 4.556 0.022 0.000 0.298 234 H C 1.932 177.111 175.328 -0.249 0.000 1.087 234 H CA 2.006 57.919 56.048 -0.226 0.000 1.291 234 H CB -0.207 29.481 29.762 -0.124 0.000 1.369 234 H HN -0.062 nan 8.280 nan 0.000 0.492 235 V N 0.327 120.060 119.914 -0.302 0.000 2.295 235 V HA -0.208 3.926 4.120 0.022 0.000 0.246 235 V C 2.627 178.589 176.094 -0.220 0.000 1.049 235 V CA 1.632 63.639 62.300 -0.487 0.000 1.024 235 V CB -0.843 30.515 31.823 -0.776 0.000 0.648 235 V HN 0.369 nan 8.190 nan 0.000 0.447 236 L N 0.430 121.565 121.223 -0.147 0.000 2.017 236 L HA -0.123 4.230 4.340 0.022 0.000 0.208 236 L C 2.023 179.056 176.870 0.272 0.000 1.073 236 L CA 2.452 57.320 54.840 0.047 0.000 0.745 236 L CB -0.435 41.641 42.059 0.029 0.000 0.894 236 L HN 0.720 nan 8.230 nan 0.000 0.432 237 W N -4.030 117.361 121.300 0.150 0.000 2.396 237 W HA 0.446 5.119 4.660 0.022 0.000 0.216 237 W C 1.247 177.866 176.519 0.167 0.000 0.949 237 W CA 0.396 57.865 57.345 0.207 0.000 1.168 237 W CB -0.435 29.228 29.460 0.338 0.000 0.829 237 W HN 0.112 nan 8.180 nan 0.000 0.663 238 G N 1.895 110.519 108.800 -0.294 0.000 2.986 238 G HA2 -0.035 3.938 3.960 0.022 0.000 0.213 238 G HA3 -0.035 3.938 3.960 0.022 0.000 0.213 238 G C 1.504 176.445 174.900 0.069 0.000 1.156 238 G CA 0.995 46.020 45.100 -0.124 0.000 0.763 238 G HN 0.190 nan 8.290 nan 0.000 0.547 239 S N 0.134 115.691 115.700 -0.239 0.000 2.400 239 S HA -0.148 4.336 4.470 0.022 0.000 0.232 239 S C 1.813 176.370 174.600 -0.071 0.000 1.025 239 S CA 1.207 59.116 58.200 -0.484 0.000 0.993 239 S CB -0.164 62.624 63.200 -0.686 0.000 0.808 239 S HN 0.413 nan 8.310 nan 0.000 0.478 240 Q N 0.892 120.720 119.800 0.047 0.000 2.220 240 Q HA 0.316 4.670 4.340 0.022 0.000 0.205 240 Q C 0.023 176.118 176.000 0.159 0.000 0.865 240 Q CA -0.286 55.577 55.803 0.100 0.000 0.960 240 Q CB 0.592 29.388 28.738 0.097 0.000 1.097 240 Q HN 0.546 nan 8.270 nan 0.000 0.493 241 S N 1.636 117.478 115.700 0.236 0.000 2.549 241 S HA -0.031 4.453 4.470 0.022 0.000 0.286 241 S C 0.399 175.148 174.600 0.249 0.000 1.314 241 S CA -0.256 58.121 58.200 0.296 0.000 1.062 241 S CB 0.501 63.993 63.200 0.488 0.000 0.865 241 S HN 0.326 nan 8.310 nan 0.000 0.498 242 D N 2.115 122.636 120.400 0.202 0.000 2.342 242 D HA 0.093 4.746 4.640 0.022 0.000 0.221 242 D C -0.047 176.358 176.300 0.175 0.000 1.101 242 D CA -0.270 53.827 54.000 0.163 0.000 0.837 242 D CB -0.130 40.741 40.800 0.118 0.000 0.938 242 D HN 0.440 nan 8.370 nan 0.000 0.508 243 D N 1.307 121.851 120.400 0.239 0.000 2.338 243 D HA -0.042 4.611 4.640 0.022 0.000 0.255 243 D C 1.079 177.529 176.300 0.251 0.000 1.237 243 D CA 0.016 54.161 54.000 0.242 0.000 0.883 243 D CB 1.324 42.295 40.800 0.285 0.000 1.087 243 D HN 0.026 nan 8.370 nan 0.000 0.485 244 Q N 2.553 122.458 119.800 0.174 0.000 2.030 244 Q HA -0.170 4.183 4.340 0.022 0.000 0.204 244 Q C 1.562 177.654 176.000 0.154 0.000 0.986 244 Q CA 2.195 58.083 55.803 0.140 0.000 0.843 244 Q CB -0.152 28.647 28.738 0.101 0.000 0.904 244 Q HN 0.507 nan 8.270 nan 0.000 0.420 245 T N -0.098 114.557 114.554 0.169 0.000 2.720 245 T HA -0.202 4.161 4.350 0.022 0.000 0.268 245 T C 1.318 176.178 174.700 0.267 0.000 1.037 245 T CA 1.503 63.709 62.100 0.178 0.000 1.144 245 T CB -0.642 68.315 68.868 0.149 0.000 0.864 245 T HN 0.460 nan 8.240 nan 0.000 0.444 246 Y N 2.042 122.454 120.300 0.186 0.000 2.163 246 Y HA -0.041 4.522 4.550 0.022 0.000 0.288 246 Y C 2.629 178.699 175.900 0.283 0.000 1.136 246 Y CA 1.196 59.457 58.100 0.268 0.000 1.147 246 Y CB -0.407 38.212 38.460 0.265 0.000 0.987 246 Y HN -0.036 nan 8.280 nan 0.000 0.509 247 R N 0.379 120.917 120.500 0.065 0.000 2.083 247 R HA -0.206 4.147 4.340 0.022 0.000 0.237 247 R C 2.210 178.490 176.300 -0.034 0.000 1.137 247 R CA 2.200 58.277 56.100 -0.039 0.000 0.951 247 R CB -0.257 30.084 30.300 0.068 0.000 0.851 247 R HN 0.509 nan 8.270 nan 0.000 0.434 248 E N -0.508 119.714 120.200 0.037 0.000 2.077 248 E HA -0.231 4.133 4.350 0.022 0.000 0.193 248 E C 1.737 178.332 176.600 -0.007 0.000 0.989 248 E CA 1.394 57.802 56.400 0.013 0.000 0.800 248 E CB -0.270 29.459 29.700 0.049 0.000 0.746 248 E HN 0.315 nan 8.360 nan 0.000 0.452 249 F N 2.277 122.188 119.950 -0.065 0.000 2.069 249 F HA -0.225 4.315 4.527 0.021 0.000 0.298 249 F C 1.863 177.545 175.800 -0.196 0.000 1.113 249 F CA 1.663 59.632 58.000 -0.052 0.000 1.214 249 F CB -0.082 38.954 39.000 0.060 0.000 0.978 249 F HN -0.214 nan 8.300 nan 0.000 0.474 250 K N 0.139 120.166 120.400 -0.621 0.000 2.026 250 K HA -0.183 4.151 4.320 0.022 0.000 0.208 250 K C 2.033 178.215 176.600 -0.697 0.000 1.048 250 K CA 1.937 57.705 56.287 -0.865 0.000 0.929 250 K CB -0.378 31.902 32.500 -0.367 0.000 0.713 250 K HN 0.410 nan 8.250 nan 0.000 0.439 251 E N 0.086 120.041 120.200 -0.408 0.000 2.153 251 E HA -0.128 4.235 4.350 0.022 0.000 0.194 251 E C 1.893 178.301 176.600 -0.320 0.000 0.988 251 E CA 1.242 57.453 56.400 -0.315 0.000 0.811 251 E CB -0.002 29.602 29.700 -0.161 0.000 0.746 251 E HN 0.262 nan 8.360 nan 0.000 0.466 252 T N 0.049 114.369 114.554 -0.390 0.000 2.708 252 T HA -0.162 4.201 4.350 0.022 0.000 0.266 252 T C 1.140 175.506 174.700 -0.557 0.000 1.037 252 T CA 1.267 63.073 62.100 -0.489 0.000 1.146 252 T CB -0.219 68.272 68.868 -0.629 0.000 0.865 252 T HN 0.244 nan 8.240 nan 0.000 0.435 253 Y N 0.002 120.047 120.300 -0.425 0.000 2.478 253 Y HA 0.353 4.916 4.550 0.022 0.000 0.261 253 Y C 1.736 177.637 175.900 0.002 0.000 1.127 253 Y CA -0.727 57.208 58.100 -0.276 0.000 1.288 253 Y CB -0.296 37.754 38.460 -0.683 0.000 1.084 253 Y HN 0.049 nan 8.280 nan 0.000 0.530 254 L N 1.774 122.961 121.223 -0.060 0.000 2.021 254 L HA -0.162 4.191 4.340 0.022 0.000 0.215 254 L C -0.816 176.097 176.870 0.072 0.000 1.074 254 L CA 2.177 57.046 54.840 0.048 0.000 0.760 254 L CB -1.478 40.411 42.059 -0.284 0.000 0.889 254 L HN 0.014 nan 8.230 nan 0.000 0.433 255 P HA -0.165 nan 4.420 nan 0.000 0.221 255 P C 0.794 177.984 177.300 -0.183 0.000 1.145 255 P CA 1.506 64.516 63.100 -0.151 0.000 0.795 255 P CB -0.154 31.355 31.700 -0.317 0.000 0.775 256 Y N -1.319 119.059 120.300 0.130 0.000 2.523 256 Y HA 0.042 4.606 4.550 0.023 0.000 0.279 256 Y C 1.513 177.498 175.900 0.143 0.000 1.139 256 Y CA -0.328 57.864 58.100 0.152 0.000 1.296 256 Y CB -0.467 38.105 38.460 0.187 0.000 1.045 256 Y HN -0.170 nan 8.280 nan 0.000 0.538 257 V N -1.549 118.521 119.914 0.260 0.000 2.997 257 V HA 0.316 4.449 4.120 0.022 0.000 0.311 257 V C 0.311 176.500 176.094 0.159 0.000 1.066 257 V CA -1.834 60.586 62.300 0.201 0.000 1.039 257 V CB 1.060 32.983 31.823 0.166 0.000 1.081 257 V HN 0.051 nan 8.190 nan 0.000 0.467 258 L N 2.761 124.081 121.223 0.160 0.000 2.514 258 L HA 0.134 4.487 4.340 0.022 0.000 0.280 258 L C -1.159 175.683 176.870 -0.046 0.000 1.223 258 L CA -0.794 54.071 54.840 0.042 0.000 0.864 258 L CB 0.202 42.197 42.059 -0.105 0.000 1.118 258 L HN 0.529 nan 8.230 nan 0.000 0.494 259 P HA -0.281 nan 4.420 nan 0.000 0.218 259 P C 1.261 178.503 177.300 -0.097 0.000 1.154 259 P CA 1.920 64.995 63.100 -0.042 0.000 0.872 259 P CB 0.153 31.832 31.700 -0.035 0.000 0.790 260 A N -1.794 120.887 122.820 -0.232 0.000 1.933 260 A HA -0.223 4.110 4.320 0.022 0.000 0.218 260 A C 1.888 179.375 177.584 -0.163 0.000 1.175 260 A CA 1.559 53.442 52.037 -0.257 0.000 0.628 260 A CB -1.764 16.993 19.000 -0.405 0.000 0.814 260 A HN 0.158 nan 8.150 nan 0.000 0.444 261 Y N -0.123 120.174 120.300 -0.005 0.000 2.337 261 Y HA -0.011 4.552 4.550 0.022 0.000 0.293 261 Y C 2.472 178.368 175.900 -0.006 0.000 1.123 261 Y CA 0.670 58.749 58.100 -0.035 0.000 1.201 261 Y CB -0.531 37.862 38.460 -0.110 0.000 1.011 261 Y HN 0.259 nan 8.280 nan 0.000 0.545 262 R N 0.027 120.595 120.500 0.114 0.000 2.096 262 R HA -0.115 4.238 4.340 0.022 0.000 0.235 262 R C 2.398 178.773 176.300 0.124 0.000 1.127 262 R CA 1.244 57.395 56.100 0.085 0.000 0.968 262 R CB -0.620 29.702 30.300 0.036 0.000 0.861 262 R HN 0.321 nan 8.270 nan 0.000 0.440 263 A N 0.847 123.720 122.820 0.089 0.000 1.929 263 A HA -0.046 4.287 4.320 0.022 0.000 0.216 263 A C 2.400 180.057 177.584 0.121 0.000 1.176 263 A CA 0.851 52.935 52.037 0.079 0.000 0.628 263 A CB -0.390 18.628 19.000 0.029 0.000 0.816 263 A HN 0.076 nan 8.150 nan 0.000 0.444 264 V N -1.183 118.834 119.914 0.171 0.000 2.252 264 V HA -0.337 3.796 4.120 0.022 0.000 0.249 264 V C 2.326 178.623 176.094 0.337 0.000 1.056 264 V CA 2.368 64.823 62.300 0.259 0.000 1.022 264 V CB -1.033 30.943 31.823 0.256 0.000 0.641 264 V HN 0.720 nan 8.190 nan 0.000 0.445 265 Y N 1.068 121.452 120.300 0.140 0.000 2.114 265 Y HA -0.310 4.254 4.550 0.023 0.000 0.282 265 Y C 2.391 178.378 175.900 0.145 0.000 1.165 265 Y CA 2.036 60.199 58.100 0.105 0.000 1.148 265 Y CB -0.501 37.911 38.460 -0.081 0.000 0.972 265 Y HN 0.175 nan 8.280 nan 0.000 0.504 266 A N 0.281 123.263 122.820 0.271 0.000 1.902 266 A HA -0.238 4.095 4.320 0.022 0.000 0.217 266 A C 2.294 179.894 177.584 0.025 0.000 1.181 266 A CA 1.850 53.976 52.037 0.148 0.000 0.623 266 A CB -0.848 18.221 19.000 0.115 0.000 0.818 266 A HN 0.565 nan 8.150 nan 0.000 0.443 267 R N -1.692 118.792 120.500 -0.027 0.000 2.091 267 R HA -0.129 4.224 4.340 0.022 0.000 0.238 267 R C 1.202 177.246 176.300 -0.427 0.000 1.136 267 R CA 2.001 57.942 56.100 -0.265 0.000 0.959 267 R CB -0.305 29.759 30.300 -0.394 0.000 0.856 267 R HN 0.508 nan 8.270 nan 0.000 0.437 268 F N -0.586 119.284 119.950 -0.133 0.000 2.749 268 F HA 0.215 4.756 4.527 0.022 0.000 0.300 268 F C 2.149 177.826 175.800 -0.204 0.000 1.103 268 F CA 0.001 57.863 58.000 -0.229 0.000 1.342 268 F CB 0.451 39.245 39.000 -0.343 0.000 1.098 268 F HN -0.049 nan 8.300 nan 0.000 0.586 269 S N 0.097 115.821 115.700 0.040 0.000 2.370 269 S HA -0.142 4.341 4.470 0.022 0.000 0.226 269 S C 2.120 176.723 174.600 0.006 0.000 1.033 269 S CA 1.386 59.606 58.200 0.033 0.000 1.011 269 S CB -0.743 62.473 63.200 0.027 0.000 0.852 269 S HN 0.436 nan 8.310 nan 0.000 0.457 270 G N 0.982 109.781 108.800 -0.003 0.000 3.562 270 G HA2 0.370 4.344 3.960 0.022 0.000 0.279 270 G HA3 0.370 4.344 3.960 0.022 0.000 0.279 270 G C -0.172 174.739 174.900 0.019 0.000 1.314 270 G CA -0.198 44.907 45.100 0.009 0.000 1.189 270 G HN 0.352 nan 8.290 nan 0.000 0.562 271 E N -0.524 119.696 120.200 0.034 0.000 2.390 271 E HA 0.276 4.639 4.350 0.022 0.000 0.277 271 E C -2.798 173.879 176.600 0.129 0.000 0.939 271 E CA -2.068 54.389 56.400 0.094 0.000 0.769 271 E CB 2.799 32.577 29.700 0.129 0.000 1.251 271 E HN -0.088 nan 8.360 nan 0.000 0.450 272 P HA -0.029 nan 4.420 nan 0.000 0.265 272 P C -0.985 176.478 177.300 0.273 0.000 1.187 272 P CA 0.284 63.486 63.100 0.170 0.000 0.766 272 P CB 0.495 32.277 31.700 0.137 0.000 0.820 273 A N 3.186 126.132 122.820 0.209 0.000 2.327 273 A HA 0.106 4.439 4.320 0.022 0.000 0.255 273 A C 1.587 179.355 177.584 0.307 0.000 1.099 273 A CA -0.315 51.874 52.037 0.254 0.000 0.801 273 A CB -0.501 18.596 19.000 0.161 0.000 1.062 273 A HN 0.724 nan 8.150 nan 0.000 0.496 274 L N 0.479 121.911 121.223 0.347 0.000 1.990 274 L HA -0.228 4.126 4.340 0.022 0.000 0.213 274 L C 2.356 179.323 176.870 0.162 0.000 1.072 274 L CA 2.596 57.559 54.840 0.205 0.000 0.755 274 L CB -0.450 41.764 42.059 0.259 0.000 0.889 274 L HN 0.874 nan 8.230 nan 0.000 0.432 275 I N -3.383 117.336 120.570 0.249 0.000 2.394 275 I HA -0.200 3.983 4.170 0.022 0.000 0.251 275 I C 1.827 178.021 176.117 0.129 0.000 1.136 275 I CA 1.369 62.808 61.300 0.231 0.000 1.425 275 I CB -0.689 37.506 38.000 0.325 0.000 1.079 275 I HN 0.186 nan 8.210 nan 0.000 0.425 276 D N 1.561 122.038 120.400 0.128 0.000 2.104 276 D HA -0.202 4.451 4.640 0.022 0.000 0.194 276 D C 2.186 178.507 176.300 0.035 0.000 0.994 276 D CA 1.139 55.188 54.000 0.082 0.000 0.830 276 D CB -0.435 40.426 40.800 0.101 0.000 0.959 276 D HN 0.364 nan 8.370 nan 0.000 0.452 277 R N 1.273 121.777 120.500 0.008 0.000 2.073 277 R HA -0.068 4.285 4.340 0.022 0.000 0.234 277 R C 2.107 178.371 176.300 -0.061 0.000 1.134 277 R CA 1.439 57.504 56.100 -0.058 0.000 0.952 277 R CB -0.561 29.628 30.300 -0.186 0.000 0.850 277 R HN 0.104 nan 8.270 nan 0.000 0.433 278 A N 1.363 124.160 122.820 -0.037 0.000 1.883 278 A HA -0.139 4.194 4.320 0.022 0.000 0.217 278 A C 2.468 179.999 177.584 -0.088 0.000 1.186 278 A CA 1.496 53.483 52.037 -0.083 0.000 0.624 278 A CB -0.622 18.374 19.000 -0.007 0.000 0.822 278 A HN 0.350 nan 8.150 nan 0.000 0.444 279 L N -0.738 120.465 121.223 -0.034 0.000 2.093 279 L HA -0.145 4.209 4.340 0.022 0.000 0.208 279 L C 1.963 178.811 176.870 -0.038 0.000 1.085 279 L CA 1.196 56.015 54.840 -0.035 0.000 0.755 279 L CB -0.724 41.326 42.059 -0.016 0.000 0.904 279 L HN 0.253 nan 8.230 nan 0.000 0.435 280 D N 0.061 120.444 120.400 -0.029 0.000 2.144 280 D HA -0.208 4.445 4.640 0.022 0.000 0.199 280 D C 2.060 178.336 176.300 -0.040 0.000 0.984 280 D CA 1.086 55.070 54.000 -0.027 0.000 0.834 280 D CB 0.081 40.871 40.800 -0.017 0.000 0.955 280 D HN 0.383 nan 8.370 nan 0.000 0.465 281 E N 0.241 120.405 120.200 -0.060 0.000 2.072 281 E HA -0.103 4.261 4.350 0.022 0.000 0.191 281 E C 2.013 178.569 176.600 -0.073 0.000 0.985 281 E CA 0.859 57.216 56.400 -0.072 0.000 0.801 281 E CB 0.049 29.688 29.700 -0.103 0.000 0.750 281 E HN 0.155 nan 8.360 nan 0.000 0.452 282 A N 1.237 124.006 122.820 -0.086 0.000 1.908 282 A HA -0.192 4.141 4.320 0.022 0.000 0.218 282 A C 2.150 179.705 177.584 -0.050 0.000 1.181 282 A CA 1.497 53.489 52.037 -0.076 0.000 0.627 282 A CB -0.479 18.471 19.000 -0.082 0.000 0.818 282 A HN 0.161 nan 8.150 nan 0.000 0.445 283 R N -0.822 119.653 120.500 -0.041 0.000 2.115 283 R HA -0.051 4.302 4.340 0.022 0.000 0.230 283 R C 2.402 178.687 176.300 -0.025 0.000 1.111 283 R CA 1.084 57.167 56.100 -0.029 0.000 0.976 283 R CB -0.330 29.956 30.300 -0.024 0.000 0.870 283 R HN 0.543 nan 8.270 nan 0.000 0.445 284 A N 0.154 122.957 122.820 -0.028 0.000 1.898 284 A HA -0.049 4.285 4.320 0.022 0.000 0.214 284 A C 2.189 179.760 177.584 -0.021 0.000 1.183 284 A CA 0.991 53.015 52.037 -0.022 0.000 0.622 284 A CB -0.108 18.878 19.000 -0.022 0.000 0.824 284 A HN 0.103 nan 8.150 nan 0.000 0.444 285 V N -1.056 118.842 119.914 -0.027 0.000 2.599 285 V HA 0.377 4.511 4.120 0.022 0.000 0.245 285 V C 1.322 177.404 176.094 -0.020 0.000 1.046 285 V CA 0.994 63.281 62.300 -0.022 0.000 1.065 285 V CB -1.257 30.550 31.823 -0.027 0.000 0.703 285 V HN 1.239 nan 8.190 nan 0.000 0.464 286 G N 0.253 109.038 108.800 -0.026 0.000 2.617 286 G HA2 -0.114 3.859 3.960 0.022 0.000 0.686 286 G HA3 -0.114 3.859 3.960 0.022 0.000 0.686 286 G C 0.252 175.136 174.900 -0.026 0.000 1.214 286 G CA -0.040 45.046 45.100 -0.023 0.000 0.796 286 G HN 0.466 nan 8.290 nan 0.000 0.654 287 T N -1.286 113.252 114.554 -0.026 0.000 3.148 287 T HA 0.123 4.486 4.350 0.022 0.000 0.253 287 T C 1.916 176.601 174.700 -0.025 0.000 1.134 287 T CA 1.098 63.182 62.100 -0.028 0.000 1.051 287 T CB 0.115 68.967 68.868 -0.026 0.000 0.959 287 T HN 0.602 nan 8.240 nan 0.000 0.525 288 R N 1.304 121.791 120.500 -0.022 0.000 2.189 288 R HA 0.045 4.398 4.340 0.022 0.000 0.218 288 R C 0.759 177.043 176.300 -0.027 0.000 1.074 288 R CA 0.540 56.627 56.100 -0.022 0.000 0.991 288 R CB -0.113 30.176 30.300 -0.017 0.000 0.883 288 R HN 0.452 nan 8.270 nan 0.000 0.457 289 D N 0.893 121.280 120.400 -0.021 0.000 2.401 289 D HA -0.087 4.567 4.640 0.022 0.000 0.254 289 D C 0.781 177.053 176.300 -0.046 0.000 1.192 289 D CA 0.224 54.214 54.000 -0.017 0.000 0.885 289 D CB 1.353 42.160 40.800 0.011 0.000 1.147 289 D HN -0.001 nan 8.370 nan 0.000 0.478 290 E N 3.414 123.546 120.200 -0.113 0.000 2.118 290 E HA -0.235 4.128 4.350 0.022 0.000 0.195 290 E C 1.190 177.685 176.600 -0.176 0.000 0.992 290 E CA 1.761 58.054 56.400 -0.179 0.000 0.804 290 E CB -0.163 29.376 29.700 -0.269 0.000 0.741 290 E HN 0.687 nan 8.360 nan 0.000 0.458 291 H N -1.262 117.808 119.070 -0.001 0.000 2.423 291 H HA -0.003 4.566 4.556 0.022 0.000 0.297 291 H C 2.029 177.342 175.328 -0.025 0.000 1.075 291 H CA 1.179 57.230 56.048 0.004 0.000 1.342 291 H CB 0.183 29.951 29.762 0.009 0.000 1.395 291 H HN 0.020 nan 8.280 nan 0.000 0.530 292 V N 0.843 120.786 119.914 0.047 0.000 2.307 292 V HA -0.225 3.908 4.120 0.022 0.000 0.245 292 V C 2.344 178.418 176.094 -0.033 0.000 1.045 292 V CA 1.641 63.920 62.300 -0.036 0.000 1.024 292 V CB -0.310 31.485 31.823 -0.046 0.000 0.651 292 V HN 0.394 nan 8.190 nan 0.000 0.449 293 R N 0.225 120.713 120.500 -0.020 0.000 2.080 293 R HA -0.168 4.185 4.340 0.022 0.000 0.236 293 R C 2.457 178.765 176.300 0.013 0.000 1.137 293 R CA 1.688 57.781 56.100 -0.012 0.000 0.943 293 R CB -0.799 29.489 30.300 -0.020 0.000 0.846 293 R HN 0.531 nan 8.270 nan 0.000 0.431 294 A N 0.780 123.617 122.820 0.027 0.000 1.902 294 A HA -0.093 4.240 4.320 0.022 0.000 0.217 294 A C 2.410 180.065 177.584 0.119 0.000 1.181 294 A CA 1.847 53.924 52.037 0.066 0.000 0.623 294 A CB -1.078 17.967 19.000 0.075 0.000 0.818 294 A HN 0.489 nan 8.150 nan 0.000 0.443 295 G N -0.124 108.749 108.800 0.121 0.000 2.421 295 G HA2 -0.170 3.803 3.960 0.022 0.000 0.216 295 G HA3 -0.170 3.803 3.960 0.022 0.000 0.216 295 G C 1.562 176.570 174.900 0.180 0.000 1.171 295 G CA 1.051 46.272 45.100 0.202 0.000 0.775 295 G HN 0.431 nan 8.290 nan 0.000 0.543 296 L N 0.422 121.670 121.223 0.042 0.000 2.046 296 L HA -0.091 4.262 4.340 0.022 0.000 0.208 296 L C 3.208 180.143 176.870 0.108 0.000 1.077 296 L CA 1.559 56.436 54.840 0.062 0.000 0.747 296 L CB -0.849 41.211 42.059 0.001 0.000 0.896 296 L HN 0.183 nan 8.230 nan 0.000 0.432 297 T N -0.021 114.586 114.554 0.089 0.000 2.708 297 T HA -0.189 4.174 4.350 0.022 0.000 0.266 297 T C 2.023 176.790 174.700 0.113 0.000 1.037 297 T CA 1.411 63.562 62.100 0.084 0.000 1.146 297 T CB -0.263 68.641 68.868 0.060 0.000 0.865 297 T HN 0.453 nan 8.240 nan 0.000 0.435 298 A N 1.075 123.979 122.820 0.139 0.000 1.902 298 A HA -0.002 4.331 4.320 0.022 0.000 0.217 298 A C 2.240 179.922 177.584 0.163 0.000 1.181 298 A CA 1.215 53.336 52.037 0.140 0.000 0.623 298 A CB -0.795 18.297 19.000 0.154 0.000 0.818 298 A HN 0.394 nan 8.150 nan 0.000 0.443 299 L N 0.054 121.424 121.223 0.246 0.000 2.083 299 L HA -0.132 4.221 4.340 0.022 0.000 0.209 299 L C 2.279 179.346 176.870 0.329 0.000 1.083 299 L CA 2.464 57.481 54.840 0.295 0.000 0.752 299 L CB -0.551 41.760 42.059 0.419 0.000 0.899 299 L HN 0.603 nan 8.230 nan 0.000 0.433 300 E N -0.632 119.722 120.200 0.258 0.000 2.118 300 E HA -0.270 4.094 4.350 0.022 0.000 0.195 300 E C 2.265 178.991 176.600 0.210 0.000 0.992 300 E CA 1.188 57.729 56.400 0.234 0.000 0.804 300 E CB -0.015 29.756 29.700 0.120 0.000 0.741 300 E HN 0.486 nan 8.360 nan 0.000 0.458 301 R N -0.156 120.430 120.500 0.144 0.000 2.148 301 R HA -0.084 4.269 4.340 0.022 0.000 0.227 301 R C 2.402 178.745 176.300 0.072 0.000 1.103 301 R CA 0.956 57.114 56.100 0.096 0.000 0.983 301 R CB -0.061 30.281 30.300 0.071 0.000 0.874 301 R HN 0.123 nan 8.270 nan 0.000 0.451 302 V N 0.458 120.406 119.914 0.056 0.000 2.343 302 V HA -0.235 3.898 4.120 0.022 0.000 0.247 302 V C 1.860 177.880 176.094 -0.123 0.000 1.051 302 V CA 1.769 64.031 62.300 -0.063 0.000 1.036 302 V CB -0.481 31.254 31.823 -0.147 0.000 0.654 302 V HN 0.151 nan 8.190 nan 0.000 0.451 303 F N 0.474 120.438 119.950 0.023 0.000 2.186 303 F HA -0.126 4.414 4.527 0.022 0.000 0.299 303 F C 2.411 178.193 175.800 -0.029 0.000 1.090 303 F CA 1.950 59.940 58.000 -0.017 0.000 1.307 303 F CB -0.466 38.502 39.000 -0.054 0.000 1.019 303 F HN 0.028 nan 8.300 nan 0.000 0.489 304 K N 0.345 120.841 120.400 0.160 0.000 2.044 304 K HA -0.210 4.123 4.320 0.022 0.000 0.210 304 K C 2.242 178.876 176.600 0.057 0.000 1.049 304 K CA 1.688 58.029 56.287 0.090 0.000 0.927 304 K CB -0.619 31.929 32.500 0.080 0.000 0.713 304 K HN 0.184 nan 8.250 nan 0.000 0.443 305 V N 1.292 121.233 119.914 0.045 0.000 2.427 305 V HA -0.178 3.955 4.120 0.022 0.000 0.248 305 V C 2.032 178.165 176.094 0.064 0.000 1.051 305 V CA 1.414 63.738 62.300 0.041 0.000 1.048 305 V CB -0.192 31.644 31.823 0.021 0.000 0.666 305 V HN 0.346 nan 8.190 nan 0.000 0.456 306 L N -0.685 120.565 121.223 0.044 0.000 2.046 306 L HA -0.189 4.164 4.340 0.022 0.000 0.208 306 L C 2.431 179.373 176.870 0.121 0.000 1.077 306 L CA 1.767 56.665 54.840 0.097 0.000 0.747 306 L CB -0.495 41.599 42.059 0.058 0.000 0.896 306 L HN 0.315 nan 8.230 nan 0.000 0.432 307 L N -0.868 120.365 121.223 0.016 0.000 2.141 307 L HA -0.150 4.203 4.340 0.022 0.000 0.209 307 L C 2.686 179.539 176.870 -0.027 0.000 1.094 307 L CA 0.988 55.773 54.840 -0.093 0.000 0.763 307 L CB -0.386 41.560 42.059 -0.188 0.000 0.908 307 L HN 0.169 nan 8.230 nan 0.000 0.437 308 R N -0.923 119.597 120.500 0.035 0.000 2.189 308 R HA -0.149 4.204 4.340 0.022 0.000 0.223 308 R C 2.116 178.467 176.300 0.085 0.000 1.092 308 R CA 1.198 57.325 56.100 0.044 0.000 0.989 308 R CB -0.176 30.153 30.300 0.048 0.000 0.876 308 R HN 0.286 nan 8.270 nan 0.000 0.457 309 F N 0.901 120.852 119.950 0.002 0.000 2.147 309 F HA 0.005 4.545 4.527 0.021 0.000 0.291 309 F C 2.363 178.194 175.800 0.053 0.000 1.093 309 F CA 1.068 59.083 58.000 0.025 0.000 1.263 309 F CB -0.160 38.840 39.000 0.001 0.000 1.036 309 F HN -0.295 nan 8.300 nan 0.000 0.481 310 R N 0.426 120.732 120.500 -0.324 0.000 2.092 310 R HA -0.015 4.339 4.340 0.022 0.000 0.231 310 R C 2.325 178.473 176.300 -0.253 0.000 1.119 310 R CA 1.238 57.065 56.100 -0.456 0.000 0.970 310 R CB -0.589 29.646 30.300 -0.107 0.000 0.864 310 R HN 0.418 nan 8.270 nan 0.000 0.440 311 A N 1.258 123.992 122.820 -0.143 0.000 1.855 311 A HA -0.016 4.318 4.320 0.022 0.000 0.215 311 A C -0.492 177.074 177.584 -0.029 0.000 1.191 311 A CA 0.919 52.927 52.037 -0.048 0.000 0.613 311 A CB -1.328 17.682 19.000 0.017 0.000 0.829 311 A HN 0.322 nan 8.150 nan 0.000 0.442 312 P HA -0.172 nan 4.420 nan 0.000 0.217 312 P C 1.519 178.893 177.300 0.123 0.000 1.150 312 P CA 1.356 64.482 63.100 0.043 0.000 0.832 312 P CB -0.297 31.376 31.700 -0.044 0.000 0.787 313 H N 0.133 119.108 119.070 -0.158 0.000 2.352 313 H HA -0.143 4.427 4.556 0.022 0.000 0.299 313 H C 1.805 177.045 175.328 -0.146 0.000 1.097 313 H CA 1.399 57.308 56.048 -0.231 0.000 1.311 313 H CB -0.626 28.743 29.762 -0.656 0.000 1.377 313 H HN -0.043 nan 8.280 nan 0.000 0.504 314 L N 1.701 122.858 121.223 -0.109 0.000 2.083 314 L HA -0.147 4.207 4.340 0.022 0.000 0.209 314 L C 2.365 179.167 176.870 -0.113 0.000 1.083 314 L CA 1.700 56.477 54.840 -0.105 0.000 0.752 314 L CB -0.466 41.575 42.059 -0.030 0.000 0.899 314 L HN 0.108 nan 8.230 nan 0.000 0.433 315 K N -0.935 119.437 120.400 -0.045 0.000 2.097 315 K HA -0.158 4.175 4.320 0.022 0.000 0.205 315 K C 2.058 178.609 176.600 -0.083 0.000 1.050 315 K CA 1.407 57.690 56.287 -0.008 0.000 0.938 315 K CB -0.415 32.142 32.500 0.096 0.000 0.718 315 K HN 0.248 nan 8.250 nan 0.000 0.442 316 L N 1.239 122.355 121.223 -0.178 0.000 2.046 316 L HA -0.122 4.231 4.340 0.022 0.000 0.208 316 L C 2.282 178.993 176.870 -0.265 0.000 1.077 316 L CA 1.652 56.276 54.840 -0.360 0.000 0.747 316 L CB -0.619 41.140 42.059 -0.500 0.000 0.896 316 L HN 0.116 nan 8.230 nan 0.000 0.432 317 A N -0.996 121.645 122.820 -0.299 0.000 1.902 317 A HA -0.224 4.109 4.320 0.022 0.000 0.217 317 A C 2.174 179.769 177.584 0.020 0.000 1.181 317 A CA 1.783 53.729 52.037 -0.153 0.000 0.623 317 A CB -0.592 18.259 19.000 -0.247 0.000 0.818 317 A HN 0.570 nan 8.150 nan 0.000 0.443 318 E N -0.896 119.270 120.200 -0.056 0.000 2.110 318 E HA -0.198 4.165 4.350 0.022 0.000 0.193 318 E C 2.301 178.911 176.600 0.017 0.000 0.988 318 E CA 1.115 57.504 56.400 -0.018 0.000 0.804 318 E CB -0.143 29.530 29.700 -0.045 0.000 0.745 318 E HN 0.574 nan 8.360 nan 0.000 0.458 319 R N 0.481 120.965 120.500 -0.026 0.000 2.081 319 R HA -0.124 4.229 4.340 0.022 0.000 0.235 319 R C 2.243 178.530 176.300 -0.020 0.000 1.131 319 R CA 1.232 57.309 56.100 -0.038 0.000 0.960 319 R CB -0.144 30.107 30.300 -0.082 0.000 0.856 319 R HN 0.134 nan 8.270 nan 0.000 0.436 320 A N -0.266 122.571 122.820 0.029 0.000 1.902 320 A HA -0.178 4.156 4.320 0.022 0.000 0.217 320 A C 1.823 179.335 177.584 -0.119 0.000 1.181 320 A CA 1.197 53.283 52.037 0.082 0.000 0.623 320 A CB -0.745 18.407 19.000 0.254 0.000 0.818 320 A HN 0.447 nan 8.150 nan 0.000 0.443 321 Y N -0.365 119.849 120.300 -0.143 0.000 2.421 321 Y HA -0.087 4.478 4.550 0.026 0.000 0.292 321 Y C 2.326 178.030 175.900 -0.326 0.000 1.136 321 Y CA 1.392 59.305 58.100 -0.312 0.000 1.255 321 Y CB -0.282 38.132 38.460 -0.078 0.000 0.991 321 Y HN 0.473 nan 8.280 nan 0.000 0.552 322 E N -0.106 120.052 120.200 -0.071 0.000 2.160 322 E HA -0.110 4.253 4.350 0.022 0.000 0.195 322 E C 0.628 177.133 176.600 -0.158 0.000 0.991 322 E CA 0.534 56.882 56.400 -0.087 0.000 0.810 322 E CB -0.027 29.642 29.700 -0.051 0.000 0.742 322 E HN 0.091 nan 8.360 nan 0.000 0.466 337 P HA 0.180 nan 4.420 nan 0.000 0.264 337 P C 1.095 178.322 177.300 -0.121 0.000 1.183 337 P CA 0.464 63.453 63.100 -0.184 0.000 0.763 337 P CB 0.957 32.610 31.700 -0.079 0.000 0.807 338 S N 2.459 118.118 115.700 -0.068 0.000 2.419 338 S HA -0.178 4.306 4.470 0.022 0.000 0.233 338 S C 1.643 176.222 174.600 -0.036 0.000 1.016 338 S CA 1.594 59.767 58.200 -0.045 0.000 0.974 338 S CB -0.645 62.544 63.200 -0.018 0.000 0.786 338 S HN 0.560 nan 8.310 nan 0.000 0.492 339 M N 0.721 120.298 119.600 -0.038 0.000 2.267 339 M HA 0.034 4.527 4.480 0.022 0.000 0.263 339 M C 1.611 177.848 176.300 -0.105 0.000 1.063 339 M CA 1.572 56.835 55.300 -0.062 0.000 1.090 339 M CB -0.881 31.667 32.600 -0.086 0.000 1.392 339 M HN 0.240 nan 8.290 nan 0.000 0.422 340 L N 0.368 121.537 121.223 -0.090 0.000 1.994 340 L HA -0.062 4.291 4.340 0.022 0.000 0.208 340 L C 2.783 179.631 176.870 -0.036 0.000 1.071 340 L CA 1.552 56.353 54.840 -0.065 0.000 0.745 340 L CB -1.564 40.476 42.059 -0.032 0.000 0.892 340 L HN 0.599 nan 8.230 nan 0.000 0.431 341 G N -0.745 108.038 108.800 -0.029 0.000 2.422 341 G HA2 -0.243 3.730 3.960 0.022 0.000 0.218 341 G HA3 -0.243 3.730 3.960 0.022 0.000 0.218 341 G C 1.425 176.329 174.900 0.007 0.000 1.146 341 G CA 0.622 45.718 45.100 -0.006 0.000 0.769 341 G HN 0.396 nan 8.290 nan 0.000 0.547 342 E N -0.573 119.627 120.200 0.000 0.000 2.072 342 E HA -0.072 4.292 4.350 0.022 0.000 0.191 342 E C 2.345 178.957 176.600 0.020 0.000 0.985 342 E CA 0.595 57.005 56.400 0.018 0.000 0.801 342 E CB -0.140 29.579 29.700 0.032 0.000 0.750 342 E HN 0.326 nan 8.360 nan 0.000 0.452 343 L N 0.796 122.022 121.223 0.006 0.000 2.056 343 L HA -0.117 4.236 4.340 0.022 0.000 0.207 343 L C 2.102 178.978 176.870 0.010 0.000 1.078 343 L CA 1.232 56.093 54.840 0.034 0.000 0.749 343 L CB -0.508 41.556 42.059 0.010 0.000 0.901 343 L HN 0.152 nan 8.230 nan 0.000 0.433 344 L N -0.806 120.411 121.223 -0.009 0.000 2.012 344 L HA -0.216 4.137 4.340 0.022 0.000 0.210 344 L C 2.343 179.208 176.870 -0.008 0.000 1.073 344 L CA 2.534 57.345 54.840 -0.048 0.000 0.748 344 L CB -1.221 40.840 42.059 0.003 0.000 0.891 344 L HN 0.350 nan 8.230 nan 0.000 0.431 345 T N -0.013 114.581 114.554 0.067 0.000 2.684 345 T HA -0.217 4.147 4.350 0.022 0.000 0.267 345 T C 1.985 176.679 174.700 -0.010 0.000 1.036 345 T CA 1.942 64.097 62.100 0.092 0.000 1.148 345 T CB -0.429 68.467 68.868 0.047 0.000 0.863 345 T HN 0.325 nan 8.240 nan 0.000 0.436 346 L N 0.740 121.911 121.223 -0.087 0.000 2.083 346 L HA -0.128 4.226 4.340 0.022 0.000 0.209 346 L C 2.897 179.443 176.870 -0.540 0.000 1.083 346 L CA 1.241 55.943 54.840 -0.229 0.000 0.752 346 L CB -1.073 40.894 42.059 -0.152 0.000 0.899 346 L HN 0.319 nan 8.230 nan 0.000 0.433 347 T N -1.604 112.652 114.554 -0.498 0.000 2.777 347 T HA -0.184 4.179 4.350 0.022 0.000 0.266 347 T C 1.731 176.172 174.700 -0.432 0.000 1.040 347 T CA 1.206 62.943 62.100 -0.605 0.000 1.141 347 T CB -0.388 68.280 68.868 -0.334 0.000 0.868 347 T HN 0.249 nan 8.240 nan 0.000 0.444 348 Y N 1.502 121.662 120.300 -0.234 0.000 2.165 348 Y HA -0.119 4.445 4.550 0.022 0.000 0.286 348 Y C 2.859 178.614 175.900 -0.243 0.000 1.155 348 Y CA 0.779 58.766 58.100 -0.188 0.000 1.164 348 Y CB -0.415 37.970 38.460 -0.125 0.000 0.978 348 Y HN 0.206 nan 8.280 nan 0.000 0.513 349 A N 0.157 122.918 122.820 -0.099 0.000 1.877 349 A HA -0.207 4.127 4.320 0.022 0.000 0.216 349 A C 2.404 179.820 177.584 -0.280 0.000 1.186 349 A CA 1.805 53.747 52.037 -0.157 0.000 0.620 349 A CB -1.302 17.619 19.000 -0.132 0.000 0.822 349 A HN 0.444 nan 8.150 nan 0.000 0.443 350 A N -0.258 122.282 122.820 -0.467 0.000 1.851 350 A HA -0.235 4.098 4.320 0.022 0.000 0.216 350 A C 2.284 179.344 177.584 -0.873 0.000 1.195 350 A CA 1.995 53.634 52.037 -0.664 0.000 0.622 350 A CB -0.639 17.795 19.000 -0.942 0.000 0.831 350 A HN 0.554 nan 8.150 nan 0.000 0.444 351 R N -0.298 119.689 120.500 -0.855 0.000 2.103 351 R HA -0.143 4.210 4.340 0.022 0.000 0.242 351 R C 2.365 178.461 176.300 -0.341 0.000 1.142 351 R CA 1.903 57.618 56.100 -0.641 0.000 0.960 351 R CB -0.400 29.762 30.300 -0.229 0.000 0.858 351 R HN 0.503 nan 8.270 nan 0.000 0.439 352 S N 0.273 115.837 115.700 -0.228 0.000 2.383 352 S HA -0.142 4.341 4.470 0.022 0.000 0.229 352 S C 1.797 176.309 174.600 -0.147 0.000 1.030 352 S CA 1.427 59.542 58.200 -0.141 0.000 1.002 352 S CB -0.210 62.929 63.200 -0.103 0.000 0.829 352 S HN 0.421 nan 8.310 nan 0.000 0.467 353 R N 0.331 120.716 120.500 -0.191 0.000 2.081 353 R HA -0.060 4.294 4.340 0.022 0.000 0.235 353 R C 2.203 178.422 176.300 -0.135 0.000 1.131 353 R CA 1.334 57.345 56.100 -0.148 0.000 0.960 353 R CB -0.547 29.664 30.300 -0.149 0.000 0.856 353 R HN 0.270 nan 8.270 nan 0.000 0.436 354 V N 0.869 120.668 119.914 -0.192 0.000 2.307 354 V HA -0.225 3.908 4.120 0.022 0.000 0.245 354 V C 2.252 178.304 176.094 -0.070 0.000 1.045 354 V CA 1.679 63.909 62.300 -0.116 0.000 1.024 354 V CB -0.489 31.262 31.823 -0.119 0.000 0.651 354 V HN 0.300 nan 8.190 nan 0.000 0.449 355 R N 0.472 120.924 120.500 -0.080 0.000 2.091 355 R HA -0.166 4.187 4.340 0.022 0.000 0.238 355 R C 2.420 178.694 176.300 -0.043 0.000 1.136 355 R CA 1.588 57.659 56.100 -0.048 0.000 0.959 355 R CB -0.671 29.601 30.300 -0.047 0.000 0.856 355 R HN 0.538 nan 8.270 nan 0.000 0.437 356 A N 1.273 124.060 122.820 -0.054 0.000 1.930 356 A HA -0.068 4.265 4.320 0.022 0.000 0.217 356 A C 2.382 179.943 177.584 -0.038 0.000 1.175 356 A CA 1.517 53.527 52.037 -0.045 0.000 0.627 356 A CB -0.526 18.445 19.000 -0.049 0.000 0.815 356 A HN 0.397 nan 8.150 nan 0.000 0.443 357 A N -0.518 122.277 122.820 -0.041 0.000 1.933 357 A HA 0.165 4.499 4.320 0.022 0.000 0.218 357 A C 1.311 178.877 177.584 -0.029 0.000 1.175 357 A CA 0.832 52.848 52.037 -0.035 0.000 0.628 357 A CB -0.445 18.532 19.000 -0.038 0.000 0.814 357 A HN 0.462 nan 8.150 nan 0.000 0.444 358 L N 0.000 121.208 121.223 -0.025 0.000 2.949 358 L HA 0.000 4.353 4.340 0.022 0.000 0.249 358 L CA 0.000 54.829 54.840 -0.019 0.000 0.813 358 L CB 0.000 42.053 42.059 -0.011 0.000 0.961 358 L HN 0.000 nan 8.230 nan 0.000 0.502