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 2vvl_1_H DATA FIRST_RESID 1 DATA SEQUENCE MTSRDGYQWT PETGLTQGVP SLGVISPPTN IXXXXXXXPW DVIVIGGGYC DATA SEQUENCE GLTATRDLTV AGFKTLLLEA RDRIGGRSWS SNIDGYPYEM GGTWVHWHQS DATA SEQUENCE HVWREITRYK MHNALSPSFN FSRGVNHFQL RTNPTTSTYM THEAEDELLR DATA SEQUENCE SALHKFTNVD GTNGRTVLPF PHDMFYVPEF RKYDEMSYSE RIDQIRDELS DATA SEQUENCE LNERSSLEAF ILLCSGGTLE NSSFGEFLHW WAMSGYTYQG CMDCLMSYKF DATA SEQUENCE KDGQSAFARR FWEEAAGTGR LGYVFGCPVR SVVNERDAAR VTARDGREFV DATA SEQUENCE AKRVVCTIPL NVLSTIQFSP ALSTERISAM QAGHVSMCTK VHAEVDNKDM DATA SEQUENCE RSWTGIAYPF NKLCYAIGDG TTPAGNTHLV CFGTDANHIQ PDEDVRETLK DATA SEQUENCE AVGQLAPGTF GVKRLVFHNW VKDEFAKGAW FFSRPGMVSE CLQGLREKHG DATA SEQUENCE GVVFANSDWA LGWRSFIDGA IEEGTRAARV VLEEL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.266 176.300 -0.057 0.000 1.140 1 M CA 0.000 55.262 55.300 -0.063 0.000 0.988 1 M CB 0.000 32.543 32.600 -0.095 0.000 1.302 2 T N 1.132 115.649 114.554 -0.062 0.000 2.797 2 T HA 0.524 4.874 4.350 0.000 0.000 0.279 2 T C -0.184 174.466 174.700 -0.084 0.000 0.991 2 T CA -0.337 61.732 62.100 -0.052 0.000 0.979 2 T CB 1.802 70.642 68.868 -0.045 0.000 0.943 2 T HN 0.586 nan 8.240 nan 0.000 0.444 3 S N 1.291 116.941 115.700 -0.083 0.000 2.654 3 S HA 0.339 4.809 4.470 0.000 0.000 0.283 3 S C 1.249 175.774 174.600 -0.126 0.000 1.180 3 S CA -0.757 57.349 58.200 -0.155 0.000 1.021 3 S CB 0.821 63.852 63.200 -0.282 0.000 1.018 3 S HN 0.679 nan 8.310 nan 0.000 0.532 4 R N 0.742 121.158 120.500 -0.140 0.000 2.193 4 R HA 0.109 4.449 4.340 0.000 0.000 0.213 4 R C -0.147 176.082 176.300 -0.119 0.000 1.055 4 R CA 0.595 56.629 56.100 -0.110 0.000 0.995 4 R CB -0.087 30.169 30.300 -0.074 0.000 0.893 4 R HN 0.582 nan 8.270 nan 0.000 0.459 5 D N -0.001 120.314 120.400 -0.141 0.000 2.354 5 D HA 0.375 5.015 4.640 0.000 0.000 0.247 5 D C 0.768 177.177 176.300 0.182 0.000 1.138 5 D CA 0.865 54.852 54.000 -0.021 0.000 0.958 5 D CB 0.984 41.549 40.800 -0.392 0.000 1.144 5 D HN 0.238 nan 8.370 nan 0.000 0.458 6 G N -0.514 108.545 108.800 0.432 0.000 2.707 6 G HA2 -0.069 3.891 3.960 0.000 0.000 0.686 6 G HA3 -0.069 3.891 3.960 0.000 0.000 0.686 6 G C -1.589 173.190 174.900 -0.201 0.000 1.315 6 G CA -0.824 44.437 45.100 0.268 0.000 0.832 6 G HN 0.412 nan 8.290 nan 0.000 0.573 7 Y N -0.423 119.719 120.300 -0.265 0.000 2.558 7 Y HA 0.658 5.208 4.550 -0.000 0.000 0.333 7 Y C 0.011 175.594 175.900 -0.528 0.000 1.125 7 Y CA -0.629 57.172 58.100 -0.498 0.000 1.039 7 Y CB 2.469 40.285 38.460 -1.074 0.000 1.331 7 Y HN 0.869 nan 8.280 nan 0.000 0.456 8 Q N 2.071 121.800 119.800 -0.119 0.000 2.389 8 Q HA 0.437 4.777 4.340 0.000 0.000 0.277 8 Q C -2.236 173.828 176.000 0.106 0.000 1.082 8 Q CA -0.850 54.905 55.803 -0.081 0.000 0.810 8 Q CB 2.733 31.415 28.738 -0.094 0.000 1.374 8 Q HN 0.720 nan 8.270 nan 0.000 0.422 9 W N 3.229 124.500 121.300 -0.048 0.000 3.042 9 W HA 0.534 5.194 4.660 -0.000 0.000 0.337 9 W C -1.355 175.170 176.519 0.010 0.000 1.086 9 W CA -0.337 57.016 57.345 0.013 0.000 1.236 9 W CB 1.740 31.246 29.460 0.077 0.000 1.381 9 W HN 0.655 nan 8.180 nan 0.000 0.472 10 T N 2.592 116.656 114.554 -0.817 0.000 2.924 10 T HA 0.497 4.847 4.350 0.000 0.000 0.291 10 T C -2.341 171.350 174.700 -1.682 0.000 1.045 10 T CA -2.014 59.509 62.100 -0.962 0.000 1.015 10 T CB 2.239 70.841 68.868 -0.444 0.000 1.103 10 T HN 0.202 nan 8.240 nan 0.000 0.496 11 P HA -0.031 nan 4.420 nan 0.000 0.218 11 P C 0.975 178.027 177.300 -0.413 0.000 1.148 11 P CA 1.000 63.668 63.100 -0.720 0.000 0.822 11 P CB 0.137 31.702 31.700 -0.226 0.000 0.784 12 E N -1.200 118.783 120.200 -0.363 0.000 2.076 12 E HA -0.083 4.267 4.350 0.000 0.000 0.190 12 E C 1.919 178.399 176.600 -0.199 0.000 0.979 12 E CA 1.787 58.058 56.400 -0.216 0.000 0.807 12 E CB -0.884 28.718 29.700 -0.164 0.000 0.761 12 E HN 0.347 nan 8.360 nan 0.000 0.454 13 T N -3.022 111.370 114.554 -0.270 0.000 3.014 13 T HA 0.405 4.755 4.350 0.000 0.000 0.250 13 T C 1.219 175.822 174.700 -0.162 0.000 1.060 13 T CA 0.221 62.212 62.100 -0.182 0.000 1.040 13 T CB 0.146 68.921 68.868 -0.154 0.000 0.971 13 T HN 0.268 nan 8.240 nan 0.000 0.497 14 G N 1.645 110.263 108.800 -0.302 0.000 2.562 14 G HA2 -0.190 3.770 3.960 0.000 0.000 0.250 14 G HA3 -0.190 3.770 3.960 0.000 0.000 0.250 14 G C -0.607 174.347 174.900 0.090 0.000 1.269 14 G CA -0.226 44.817 45.100 -0.095 0.000 0.919 14 G HN 0.633 nan 8.290 nan 0.000 0.574 15 L N 2.216 123.655 121.223 0.358 0.000 2.278 15 L HA 0.550 4.890 4.340 0.000 0.000 0.287 15 L C 1.019 178.018 176.870 0.214 0.000 1.072 15 L CA 0.367 55.412 54.840 0.342 0.000 0.819 15 L CB 0.537 42.789 42.059 0.323 0.000 1.176 15 L HN 1.065 nan 8.230 nan 0.000 0.435 16 T N 1.222 115.879 114.554 0.171 0.000 2.807 16 T HA 0.300 4.650 4.350 0.000 0.000 0.279 16 T C -0.387 174.344 174.700 0.051 0.000 0.993 16 T CA -0.742 61.413 62.100 0.091 0.000 0.970 16 T CB 1.901 70.777 68.868 0.013 0.000 0.950 16 T HN 0.610 nan 8.240 nan 0.000 0.441 17 Q N 1.782 121.546 119.800 -0.061 0.000 2.288 17 Q HA 0.514 4.854 4.340 0.000 0.000 0.258 17 Q C 0.230 176.074 176.000 -0.260 0.000 0.957 17 Q CA 0.275 55.840 55.803 -0.398 0.000 0.919 17 Q CB 0.147 28.651 28.738 -0.391 0.000 1.185 17 Q HN 1.389 nan 8.270 nan 0.000 0.408 18 G N 1.545 110.174 108.800 -0.286 0.000 3.367 18 G HA2 0.036 3.996 3.960 0.000 0.000 0.686 18 G HA3 0.036 3.996 3.960 0.000 0.000 0.686 18 G C -1.010 173.847 174.900 -0.073 0.000 1.146 18 G CA -0.414 44.602 45.100 -0.140 0.000 0.913 18 G HN 1.016 nan 8.290 nan 0.000 0.554 19 V N 0.247 120.162 119.914 0.001 0.000 3.074 19 V HA 1.007 5.127 4.120 0.000 0.000 0.314 19 V C -2.465 173.676 176.094 0.078 0.000 1.117 19 V CA -2.827 59.490 62.300 0.030 0.000 1.014 19 V CB 2.198 34.027 31.823 0.010 0.000 1.057 19 V HN 0.621 nan 8.190 nan 0.000 0.438 20 P HA 0.407 nan 4.420 nan 0.000 0.269 20 P C -0.617 176.752 177.300 0.115 0.000 1.209 20 P CA 0.305 63.433 63.100 0.047 0.000 0.776 20 P CB 0.901 32.613 31.700 0.020 0.000 0.876 21 S N 1.436 117.182 115.700 0.078 0.000 2.548 21 S HA 0.240 4.710 4.470 0.000 0.000 0.278 21 S C 0.623 175.220 174.600 -0.006 0.000 1.150 21 S CA -0.604 57.663 58.200 0.111 0.000 0.907 21 S CB 0.341 63.709 63.200 0.281 0.000 1.108 21 S HN 0.237 nan 8.310 nan 0.000 0.459 22 L N 3.717 124.933 121.223 -0.013 0.000 2.265 22 L HA 0.081 4.421 4.340 0.000 0.000 0.215 22 L C 2.514 179.294 176.870 -0.149 0.000 1.117 22 L CA 1.511 56.306 54.840 -0.075 0.000 0.782 22 L CB -0.358 41.667 42.059 -0.057 0.000 0.914 22 L HN 0.885 nan 8.230 nan 0.000 0.441 23 G N -0.634 108.087 108.800 -0.131 0.000 2.598 23 G HA2 -0.043 3.917 3.960 0.000 0.000 0.215 23 G HA3 -0.043 3.917 3.960 0.000 0.000 0.215 23 G C 0.693 175.339 174.900 -0.423 0.000 1.131 23 G CA -0.150 44.799 45.100 -0.253 0.000 0.785 23 G HN 0.114 nan 8.290 nan 0.000 0.539 24 V N 1.550 121.246 119.914 -0.363 0.000 2.479 24 V HA 0.180 4.300 4.120 0.000 0.000 0.281 24 V C 0.006 175.771 176.094 -0.548 0.000 1.031 24 V CA -0.241 61.796 62.300 -0.438 0.000 1.038 24 V CB 1.061 32.716 31.823 -0.280 0.000 0.981 24 V HN 0.078 nan 8.190 nan 0.000 0.478 25 I N 4.940 125.012 120.570 -0.830 0.000 2.321 25 I HA 0.345 4.515 4.170 0.000 0.000 0.291 25 I C 0.375 176.222 176.117 -0.450 0.000 0.998 25 I CA 0.885 61.701 61.300 -0.807 0.000 1.227 25 I CB 1.636 38.812 38.000 -1.374 0.000 1.368 25 I HN 0.561 nan 8.210 nan 0.000 0.466 26 S N 6.640 122.203 115.700 -0.229 0.000 2.532 26 S HA 0.674 5.144 4.470 0.000 0.000 0.299 26 S C -2.252 172.356 174.600 0.014 0.000 1.105 26 S CA -1.123 57.025 58.200 -0.086 0.000 1.018 26 S CB 1.014 64.163 63.200 -0.084 0.000 1.021 26 S HN 0.451 nan 8.310 nan 0.000 0.483 27 P HA 0.288 nan 4.420 nan 0.000 0.272 27 P C -2.236 175.166 177.300 0.170 0.000 1.230 27 P CA -1.155 62.000 63.100 0.092 0.000 0.788 27 P CB 0.037 31.797 31.700 0.101 0.000 0.949 28 P HA -0.037 nan 4.420 nan 0.000 0.230 28 P C 0.448 178.013 177.300 0.442 0.000 1.158 28 P CA 1.111 64.350 63.100 0.232 0.000 0.769 28 P CB 0.426 32.206 31.700 0.134 0.000 0.807 29 T N 0.088 114.799 114.554 0.263 0.000 2.853 29 T HA 0.357 4.707 4.350 0.000 0.000 0.311 29 T C -0.280 174.279 174.700 -0.235 0.000 1.307 29 T CA -0.656 61.449 62.100 0.007 0.000 1.019 29 T CB 0.903 69.787 68.868 0.027 0.000 1.264 29 T HN -0.063 nan 8.240 nan 0.000 0.497 30 N N 2.366 120.705 118.700 -0.600 0.000 2.238 30 N HA 0.225 4.965 4.740 0.000 0.000 0.235 30 N C 0.371 175.792 175.510 -0.148 0.000 1.209 30 N CA -0.344 52.498 53.050 -0.346 0.000 0.879 30 N CB -0.225 38.005 38.487 -0.429 0.000 1.136 30 N HN 0.794 nan 8.380 nan 0.000 0.517 40 W N 0.585 121.919 121.300 0.057 0.000 2.587 40 W HA 0.362 5.022 4.660 -0.000 0.000 0.324 40 W C 0.924 177.482 176.519 0.065 0.000 1.040 40 W CA -0.471 56.910 57.345 0.060 0.000 1.222 40 W CB 1.803 31.296 29.460 0.056 0.000 1.381 40 W HN 0.266 nan 8.180 nan 0.000 0.483 41 D N 1.218 121.817 120.400 0.332 0.000 2.103 41 D HA -0.033 4.607 4.640 0.000 0.000 0.199 41 D C 0.192 176.581 176.300 0.147 0.000 0.978 41 D CA 1.328 55.477 54.000 0.248 0.000 0.829 41 D CB 0.361 41.395 40.800 0.390 0.000 0.981 41 D HN 0.012 nan 8.370 nan 0.000 0.464 42 V N 1.152 121.154 119.914 0.146 0.000 2.760 42 V HA 0.360 4.480 4.120 0.000 0.000 0.309 42 V C -0.243 175.844 176.094 -0.011 0.000 1.077 42 V CA -0.754 61.560 62.300 0.024 0.000 0.910 42 V CB 2.776 34.559 31.823 -0.067 0.000 1.008 42 V HN -0.107 nan 8.190 nan 0.000 0.424 43 I N 3.703 124.235 120.570 -0.063 0.000 2.321 43 I HA 0.431 4.601 4.170 0.000 0.000 0.291 43 I C -0.543 175.486 176.117 -0.146 0.000 0.998 43 I CA -0.670 60.533 61.300 -0.161 0.000 1.227 43 I CB 1.855 39.762 38.000 -0.156 0.000 1.368 43 I HN 0.316 nan 8.210 nan 0.000 0.466 44 V N 7.907 127.716 119.914 -0.175 0.000 2.350 44 V HA 0.359 4.479 4.120 0.000 0.000 0.276 44 V C 0.223 176.214 176.094 -0.172 0.000 1.028 44 V CA -0.459 61.757 62.300 -0.140 0.000 0.860 44 V CB 1.292 33.050 31.823 -0.109 0.000 0.990 44 V HN 0.465 nan 8.190 nan 0.000 0.453 45 I N 5.060 125.550 120.570 -0.133 0.000 2.301 45 I HA 0.666 4.836 4.170 0.000 0.000 0.292 45 I C 0.804 176.854 176.117 -0.112 0.000 1.046 45 I CA 0.145 61.361 61.300 -0.139 0.000 1.282 45 I CB 0.860 38.811 38.000 -0.082 0.000 1.409 45 I HN 0.863 nan 8.210 nan 0.000 0.484 46 G N 3.744 112.444 108.800 -0.166 0.000 3.069 46 G HA2 0.041 4.001 3.960 0.000 0.000 0.686 46 G HA3 0.041 4.001 3.960 0.000 0.000 0.686 46 G C -0.069 174.745 174.900 -0.144 0.000 1.161 46 G CA -0.484 44.529 45.100 -0.146 0.000 0.804 46 G HN 0.939 nan 8.290 nan 0.000 0.608 47 G N 0.600 109.303 108.800 -0.161 0.000 4.044 47 G HA2 0.687 4.647 3.960 0.000 0.000 0.297 47 G HA3 0.687 4.647 3.960 0.000 0.000 0.297 47 G C 0.919 175.721 174.900 -0.163 0.000 1.101 47 G CA 0.984 46.001 45.100 -0.138 0.000 0.884 47 G HN 1.361 nan 8.290 nan 0.000 0.538 48 G N -0.408 108.300 108.800 -0.152 0.000 2.525 48 G HA2 0.242 4.202 3.960 0.000 0.000 0.276 48 G HA3 0.242 4.202 3.960 0.000 0.000 0.276 48 G C 0.675 175.413 174.900 -0.271 0.000 1.388 48 G CA -0.382 44.597 45.100 -0.202 0.000 1.050 48 G HN 0.136 nan 8.290 nan 0.000 0.520 49 Y N -1.193 119.022 120.300 -0.142 0.000 2.224 49 Y HA -0.104 4.446 4.550 0.000 0.000 0.289 49 Y C 2.940 178.699 175.900 -0.234 0.000 1.146 49 Y CA 1.062 58.995 58.100 -0.278 0.000 1.182 49 Y CB -0.739 37.603 38.460 -0.196 0.000 0.983 49 Y HN 0.433 nan 8.280 nan 0.000 0.524 50 C N -0.098 119.203 119.300 0.003 0.000 2.455 50 C HA -0.111 4.349 4.460 0.000 0.000 0.281 50 C C 3.105 178.077 174.990 -0.030 0.000 1.237 50 C CA 1.741 60.748 59.018 -0.020 0.000 1.726 50 C CB -1.350 26.361 27.740 -0.047 0.000 2.068 50 C HN 0.681 nan 8.230 nan 0.000 0.466 51 G N 0.436 109.207 108.800 -0.049 0.000 2.505 51 G HA2 -0.221 3.739 3.960 0.000 0.000 0.220 51 G HA3 -0.221 3.739 3.960 0.000 0.000 0.220 51 G C 1.611 176.490 174.900 -0.034 0.000 1.145 51 G CA 1.272 46.342 45.100 -0.049 0.000 0.761 51 G HN 0.633 nan 8.290 nan 0.000 0.571 52 L N 0.213 121.390 121.223 -0.075 0.000 2.141 52 L HA -0.057 4.283 4.340 0.000 0.000 0.209 52 L C 3.142 180.050 176.870 0.063 0.000 1.094 52 L CA 1.420 56.237 54.840 -0.039 0.000 0.763 52 L CB -0.509 41.422 42.059 -0.214 0.000 0.908 52 L HN 0.185 nan 8.230 nan 0.000 0.437 53 T N -0.352 114.216 114.554 0.023 0.000 2.812 53 T HA -0.061 4.289 4.350 0.000 0.000 0.264 53 T C 2.042 176.827 174.700 0.142 0.000 1.042 53 T CA 1.125 63.332 62.100 0.178 0.000 1.140 53 T CB -0.130 68.832 68.868 0.157 0.000 0.870 53 T HN 0.407 nan 8.240 nan 0.000 0.445 54 A N 1.323 124.186 122.820 0.072 0.000 1.933 54 A HA -0.132 4.188 4.320 0.000 0.000 0.218 54 A C 2.515 180.129 177.584 0.049 0.000 1.175 54 A CA 2.098 54.164 52.037 0.048 0.000 0.628 54 A CB -1.200 17.808 19.000 0.014 0.000 0.814 54 A HN 0.465 nan 8.150 nan 0.000 0.444 55 T N -0.807 113.776 114.554 0.049 0.000 2.732 55 T HA -0.109 4.241 4.350 0.000 0.000 0.261 55 T C 2.160 176.900 174.700 0.066 0.000 1.040 55 T CA 1.181 63.303 62.100 0.038 0.000 1.145 55 T CB -0.268 68.609 68.868 0.015 0.000 0.866 55 T HN 0.406 nan 8.240 nan 0.000 0.427 56 R N 1.365 121.932 120.500 0.113 0.000 2.103 56 R HA -0.152 4.188 4.340 0.000 0.000 0.242 56 R C 1.700 178.066 176.300 0.110 0.000 1.142 56 R CA 1.843 58.019 56.100 0.128 0.000 0.960 56 R CB -0.802 29.643 30.300 0.241 0.000 0.858 56 R HN 0.337 nan 8.270 nan 0.000 0.439 57 D N 0.439 120.910 120.400 0.119 0.000 2.097 57 D HA -0.118 4.522 4.640 0.000 0.000 0.195 57 D C 2.087 178.462 176.300 0.125 0.000 0.989 57 D CA 1.096 55.160 54.000 0.107 0.000 0.827 57 D CB -0.251 40.610 40.800 0.101 0.000 0.966 57 D HN 0.235 nan 8.370 nan 0.000 0.456 58 L N 0.627 121.924 121.223 0.125 0.000 2.141 58 L HA -0.107 4.233 4.340 0.000 0.000 0.209 58 L C 2.558 179.587 176.870 0.265 0.000 1.094 58 L CA 1.418 56.379 54.840 0.202 0.000 0.763 58 L CB -0.665 41.444 42.059 0.084 0.000 0.908 58 L HN 0.157 nan 8.230 nan 0.000 0.437 59 T N -3.622 111.024 114.554 0.152 0.000 2.812 59 T HA -0.086 4.264 4.350 0.000 0.000 0.264 59 T C 1.835 176.583 174.700 0.079 0.000 1.042 59 T CA 0.917 63.086 62.100 0.115 0.000 1.140 59 T CB -0.690 68.210 68.868 0.054 0.000 0.870 59 T HN 0.052 nan 8.240 nan 0.000 0.445 60 V N 2.294 122.250 119.914 0.070 0.000 2.407 60 V HA -0.038 4.082 4.120 0.000 0.000 0.248 60 V C 3.096 179.216 176.094 0.044 0.000 1.055 60 V CA 1.629 63.956 62.300 0.045 0.000 1.049 60 V CB -1.258 30.590 31.823 0.042 0.000 0.662 60 V HN 0.702 nan 8.190 nan 0.000 0.455 61 A N -0.867 122.006 122.820 0.089 0.000 2.235 61 A HA 0.391 4.711 4.320 0.000 0.000 0.208 61 A C 1.839 179.390 177.584 -0.055 0.000 1.172 61 A CA 1.093 53.175 52.037 0.074 0.000 0.786 61 A CB -0.379 18.734 19.000 0.187 0.000 0.804 61 A HN 1.180 nan 8.150 nan 0.000 0.479 62 G N -2.423 106.340 108.800 -0.062 0.000 2.168 62 G HA2 -0.164 3.796 3.960 0.000 0.000 0.197 62 G HA3 -0.164 3.796 3.960 0.000 0.000 0.197 62 G C -0.166 174.571 174.900 -0.272 0.000 0.997 62 G CA -0.260 44.720 45.100 -0.200 0.000 0.658 62 G HN 0.262 nan 8.290 nan 0.000 0.513 63 F N 2.006 121.978 119.950 0.036 0.000 2.410 63 F HA 0.497 5.024 4.527 -0.000 0.000 0.349 63 F C 1.024 176.871 175.800 0.078 0.000 1.117 63 F CA -0.834 57.198 58.000 0.053 0.000 1.104 63 F CB 1.183 40.215 39.000 0.053 0.000 1.122 63 F HN -0.252 nan 8.300 nan 0.000 0.483 64 K N 2.494 123.059 120.400 0.274 0.000 2.351 64 K HA 0.085 4.405 4.320 0.000 0.000 0.287 64 K C 0.140 176.982 176.600 0.405 0.000 1.068 64 K CA 0.112 56.576 56.287 0.295 0.000 0.998 64 K CB 0.521 33.147 32.500 0.210 0.000 0.968 64 K HN 0.679 nan 8.250 nan 0.000 0.464 65 T N 2.957 117.696 114.554 0.309 0.000 2.824 65 T HA 0.397 4.747 4.350 0.000 0.000 0.282 65 T C -1.134 173.522 174.700 -0.073 0.000 0.993 65 T CA -0.976 61.213 62.100 0.149 0.000 0.967 65 T CB 0.779 69.695 68.868 0.079 0.000 0.960 65 T HN 0.341 nan 8.240 nan 0.000 0.441 66 L N 6.025 127.030 121.223 -0.363 0.000 2.272 66 L HA 0.700 5.040 4.340 0.000 0.000 0.289 66 L C -1.062 175.527 176.870 -0.470 0.000 1.032 66 L CA -0.621 53.764 54.840 -0.759 0.000 0.810 66 L CB 0.988 42.108 42.059 -1.564 0.000 1.205 66 L HN 0.777 nan 8.230 nan 0.000 0.422 67 L N 5.963 126.972 121.223 -0.356 0.000 2.295 67 L HA 0.585 4.925 4.340 0.000 0.000 0.285 67 L C -1.306 175.319 176.870 -0.407 0.000 1.035 67 L CA -0.388 54.277 54.840 -0.291 0.000 0.806 67 L CB 1.006 42.979 42.059 -0.144 0.000 1.214 67 L HN 0.647 nan 8.230 nan 0.000 0.426 68 L N 4.634 125.599 121.223 -0.430 0.000 2.356 68 L HA 0.558 4.898 4.340 0.000 0.000 0.277 68 L C -0.954 175.648 176.870 -0.446 0.000 0.996 68 L CA -0.559 53.991 54.840 -0.482 0.000 0.822 68 L CB 1.900 43.655 42.059 -0.508 0.000 1.256 68 L HN 0.527 nan 8.230 nan 0.000 0.413 69 E N 1.514 121.404 120.200 -0.516 0.000 2.234 69 E HA 0.559 4.909 4.350 0.000 0.000 0.266 69 E C 0.191 176.568 176.600 -0.372 0.000 0.877 69 E CA -0.212 55.906 56.400 -0.471 0.000 0.758 69 E CB 2.156 31.466 29.700 -0.651 0.000 1.170 69 E HN 0.570 nan 8.360 nan 0.000 0.415 70 A N 5.042 127.593 122.820 -0.449 0.000 1.865 70 A HA -0.089 4.231 4.320 0.000 0.000 0.217 70 A C 1.062 178.385 177.584 -0.434 0.000 1.191 70 A CA 1.179 52.832 52.037 -0.640 0.000 0.623 70 A CB -0.325 17.775 19.000 -1.499 0.000 0.826 70 A HN 0.635 nan 8.150 nan 0.000 0.444 71 R N -0.257 120.042 120.500 -0.335 0.000 2.747 71 R HA 0.224 4.564 4.340 0.000 0.000 0.278 71 R C 0.190 176.480 176.300 -0.017 0.000 1.153 71 R CA 0.323 56.347 56.100 -0.128 0.000 1.206 71 R CB 0.000 30.220 30.300 -0.134 0.000 1.161 71 R HN 0.555 nan 8.270 nan 0.000 0.589 72 D N -0.449 119.900 120.400 -0.086 0.000 2.342 72 D HA 0.021 4.661 4.640 0.000 0.000 0.221 72 D C -0.107 176.004 176.300 -0.315 0.000 1.101 72 D CA -0.128 53.801 54.000 -0.118 0.000 0.837 72 D CB 0.078 40.791 40.800 -0.145 0.000 0.938 72 D HN 0.432 nan 8.370 nan 0.000 0.508 73 R N -0.241 120.105 120.500 -0.257 0.000 2.764 73 R HA 0.596 4.936 4.340 0.000 0.000 0.270 73 R C -0.189 175.994 176.300 -0.195 0.000 1.014 73 R CA -1.142 54.709 56.100 -0.416 0.000 0.904 73 R CB 1.032 31.060 30.300 -0.452 0.000 1.236 73 R HN 0.031 nan 8.270 nan 0.000 0.466 74 I N -1.748 118.644 120.570 -0.297 0.000 2.970 74 I HA 0.753 4.923 4.170 0.000 0.000 0.310 74 I C 0.632 176.603 176.117 -0.244 0.000 1.010 74 I CA 0.140 61.313 61.300 -0.212 0.000 1.228 74 I CB 1.429 39.255 38.000 -0.290 0.000 1.433 74 I HN 0.965 nan 8.210 nan 0.000 0.573 75 G N 1.122 109.754 108.800 -0.280 0.000 2.352 75 G HA2 0.006 3.966 3.960 0.000 0.000 0.204 75 G HA3 0.006 3.966 3.960 0.000 0.000 0.204 75 G C 0.912 175.727 174.900 -0.141 0.000 1.004 75 G CA 0.077 45.003 45.100 -0.290 0.000 0.648 75 G HN 1.957 nan 8.290 nan 0.000 0.491 76 G N 0.571 109.322 108.800 -0.082 0.000 2.651 76 G HA2 -0.401 3.559 3.960 0.000 0.000 0.315 76 G HA3 -0.401 3.559 3.960 0.000 0.000 0.315 76 G C 0.875 175.911 174.900 0.226 0.000 1.258 76 G CA 1.407 46.532 45.100 0.042 0.000 1.002 76 G HN 1.136 nan 8.290 nan 0.000 0.551 77 R N 0.797 121.371 120.500 0.123 0.000 2.339 77 R HA 0.328 4.668 4.340 0.000 0.000 0.199 77 R C 0.826 177.149 176.300 0.038 0.000 1.018 77 R CA 0.867 56.872 56.100 -0.158 0.000 1.036 77 R CB -0.113 30.027 30.300 -0.267 0.000 0.899 77 R HN 0.331 nan 8.270 nan 0.000 0.473 78 S N 0.823 116.711 115.700 0.314 0.000 2.707 78 S HA 0.501 4.971 4.470 0.000 0.000 0.303 78 S C -1.600 173.310 174.600 0.517 0.000 1.132 78 S CA -0.869 57.578 58.200 0.411 0.000 1.046 78 S CB 0.614 64.101 63.200 0.480 0.000 1.004 78 S HN 0.382 nan 8.310 nan 0.000 0.483 79 W N 2.199 123.626 121.300 0.212 0.000 3.059 79 W HA 0.670 5.330 4.660 -0.000 0.000 0.329 79 W C -1.834 174.756 176.519 0.119 0.000 1.246 79 W CA -0.784 56.634 57.345 0.122 0.000 1.190 79 W CB 0.677 30.169 29.460 0.053 0.000 1.423 79 W HN 0.590 nan 8.180 nan 0.000 0.571 80 S N 1.162 116.936 115.700 0.123 0.000 2.538 80 S HA 0.635 5.105 4.470 0.000 0.000 0.288 80 S C -1.570 173.016 174.600 -0.024 0.000 1.108 80 S CA -0.253 57.920 58.200 -0.045 0.000 0.971 80 S CB 1.783 65.001 63.200 0.030 0.000 1.041 80 S HN 0.728 nan 8.310 nan 0.000 0.483 81 S N 3.816 119.449 115.700 -0.112 0.000 2.659 81 S HA 0.467 4.937 4.470 0.000 0.000 0.312 81 S C -1.309 173.304 174.600 0.023 0.000 1.114 81 S CA -0.801 57.383 58.200 -0.027 0.000 1.063 81 S CB 0.155 63.297 63.200 -0.095 0.000 0.996 81 S HN 0.752 nan 8.310 nan 0.000 0.478 82 N N 4.780 123.491 118.700 0.020 0.000 2.401 82 N HA 0.355 5.095 4.740 0.000 0.000 0.255 82 N C -0.837 174.717 175.510 0.073 0.000 1.110 82 N CA 0.145 53.208 53.050 0.023 0.000 0.949 82 N CB 0.373 38.855 38.487 -0.009 0.000 1.110 82 N HN 0.614 nan 8.380 nan 0.000 0.490 83 I N 1.298 121.964 120.570 0.161 0.000 2.447 83 I HA 0.117 4.287 4.170 0.000 0.000 0.287 83 I C -0.233 175.990 176.117 0.177 0.000 1.023 83 I CA -0.648 60.745 61.300 0.156 0.000 1.083 83 I CB 1.455 39.544 38.000 0.149 0.000 1.245 83 I HN 0.242 nan 8.210 nan 0.000 0.434 84 D N 5.297 125.755 120.400 0.096 0.000 2.708 84 D HA -0.198 4.442 4.640 0.000 0.000 0.236 84 D C 1.153 177.507 176.300 0.089 0.000 1.146 84 D CA 1.814 55.862 54.000 0.080 0.000 0.662 84 D CB -0.923 39.924 40.800 0.077 0.000 1.059 84 D HN 1.151 nan 8.370 nan 0.000 0.428 85 G N -0.949 107.895 108.800 0.073 0.000 2.179 85 G HA2 -0.368 3.592 3.960 0.000 0.000 0.260 85 G HA3 -0.368 3.592 3.960 0.000 0.000 0.260 85 G C -0.036 174.904 174.900 0.067 0.000 0.977 85 G CA 0.432 45.565 45.100 0.055 0.000 0.641 85 G HN 0.555 nan 8.290 nan 0.000 0.533 86 Y N 2.218 122.465 120.300 -0.088 0.000 2.328 86 Y HA 0.574 5.124 4.550 0.000 0.000 0.336 86 Y C -2.245 173.458 175.900 -0.328 0.000 0.960 86 Y CA -2.604 55.345 58.100 -0.253 0.000 1.134 86 Y CB 2.283 40.489 38.460 -0.423 0.000 1.166 86 Y HN 0.022 nan 8.280 nan 0.000 0.464 87 P HA 0.056 nan 4.420 nan 0.000 0.275 87 P C -1.527 175.378 177.300 -0.658 0.000 1.276 87 P CA 0.445 63.236 63.100 -0.515 0.000 0.782 87 P CB -0.099 31.353 31.700 -0.414 0.000 0.851 88 Y N 1.761 121.861 120.300 -0.332 0.000 2.383 88 Y HA 0.144 4.694 4.550 0.000 0.000 0.344 88 Y C 1.340 176.973 175.900 -0.445 0.000 0.986 88 Y CA -0.317 57.499 58.100 -0.475 0.000 1.175 88 Y CB 0.807 38.937 38.460 -0.551 0.000 1.152 88 Y HN 0.258 nan 8.280 nan 0.000 0.511 89 E N 5.034 125.127 120.200 -0.179 0.000 2.104 89 E HA 0.048 4.398 4.350 0.000 0.000 0.278 89 E C 0.559 177.184 176.600 0.040 0.000 1.127 89 E CA -0.008 56.360 56.400 -0.053 0.000 0.897 89 E CB 0.705 30.404 29.700 -0.003 0.000 1.043 89 E HN 0.737 nan 8.360 nan 0.000 0.410 90 M N 1.020 120.499 119.600 -0.202 0.000 2.254 90 M HA 0.040 4.520 4.480 0.000 0.000 0.265 90 M C 1.208 177.780 176.300 0.453 0.000 1.066 90 M CA 0.849 56.069 55.300 -0.134 0.000 1.123 90 M CB -0.495 31.416 32.600 -1.148 0.000 1.388 90 M HN 0.433 nan 8.290 nan 0.000 0.425 91 G N -0.846 108.191 108.800 0.394 0.000 3.382 91 G HA2 0.483 4.443 3.960 0.000 0.000 0.183 91 G HA3 0.483 4.443 3.960 0.000 0.000 0.183 91 G C -0.337 174.697 174.900 0.223 0.000 1.246 91 G CA -0.096 45.243 45.100 0.398 0.000 0.828 91 G HN 0.365 nan 8.290 nan 0.000 0.728 92 G N -0.122 108.776 108.800 0.164 0.000 2.109 92 G HA2 0.373 4.333 3.960 0.000 0.000 0.249 92 G HA3 0.373 4.333 3.960 0.000 0.000 0.249 92 G C 0.507 175.465 174.900 0.097 0.000 1.126 92 G CA 0.981 46.170 45.100 0.149 0.000 0.923 92 G HN 0.497 nan 8.290 nan 0.000 0.439 93 T N 2.087 116.612 114.554 -0.049 0.000 3.221 93 T HA 0.139 4.489 4.350 0.000 0.000 0.250 93 T C 0.434 174.949 174.700 -0.308 0.000 0.988 93 T CA 0.011 61.917 62.100 -0.324 0.000 1.163 93 T CB 0.340 68.633 68.868 -0.957 0.000 1.098 93 T HN 0.548 nan 8.240 nan 0.000 0.422 94 W N 3.489 124.800 121.300 0.018 0.000 2.376 94 W HA 0.631 5.291 4.660 0.000 0.000 0.322 94 W C -0.244 176.192 176.519 -0.139 0.000 1.160 94 W CA -1.030 56.270 57.345 -0.075 0.000 1.218 94 W CB 0.848 30.253 29.460 -0.092 0.000 1.205 94 W HN 0.055 nan 8.180 nan 0.000 0.559 95 V N -0.362 119.572 119.914 0.032 0.000 3.130 95 V HA 0.646 4.766 4.120 0.000 0.000 0.310 95 V C -0.985 175.064 176.094 -0.074 0.000 1.158 95 V CA -0.767 61.473 62.300 -0.101 0.000 1.029 95 V CB 2.774 34.487 31.823 -0.184 0.000 1.057 95 V HN 0.727 nan 8.190 nan 0.000 0.436 96 H N 0.799 119.667 119.070 -0.336 0.000 3.014 96 H HA 0.266 4.822 4.556 -0.000 0.000 0.337 96 H C -0.641 174.296 175.328 -0.651 0.000 1.320 96 H CA 0.011 55.686 56.048 -0.622 0.000 1.128 96 H CB 1.986 31.247 29.762 -0.834 0.000 1.862 96 H HN 0.984 nan 8.280 nan 0.000 0.536 97 W N 1.467 121.961 121.300 -1.342 0.000 2.825 97 W HA 0.117 4.777 4.660 0.000 0.000 0.243 97 W C 0.555 176.850 176.519 -0.373 0.000 1.293 97 W CA 0.126 56.620 57.345 -1.419 0.000 1.403 97 W CB -0.567 27.670 29.460 -2.038 0.000 1.134 97 W HN 0.489 nan 8.180 nan 0.000 0.666 98 H N 0.549 119.461 119.070 -0.262 0.000 2.539 98 H HA 0.153 4.709 4.556 0.000 0.000 0.267 98 H C 0.248 175.556 175.328 -0.035 0.000 0.982 98 H CA 0.029 56.045 56.048 -0.054 0.000 1.146 98 H CB 0.165 29.904 29.762 -0.039 0.000 1.382 98 H HN 0.242 nan 8.280 nan 0.000 0.577 99 Q N 0.774 120.487 119.800 -0.145 0.000 2.400 99 Q HA 0.113 4.453 4.340 0.000 0.000 0.255 99 Q C 0.735 176.757 176.000 0.037 0.000 1.008 99 Q CA -0.322 55.280 55.803 -0.334 0.000 0.841 99 Q CB 2.142 30.374 28.738 -0.844 0.000 1.220 99 Q HN 0.128 nan 8.270 nan 0.000 0.474 100 S N 2.974 118.756 115.700 0.137 0.000 2.359 100 S HA -0.227 4.243 4.470 0.000 0.000 0.222 100 S C 1.427 176.030 174.600 0.006 0.000 1.038 100 S CA 1.523 59.736 58.200 0.021 0.000 1.051 100 S CB -0.006 63.074 63.200 -0.200 0.000 0.944 100 S HN 0.726 nan 8.310 nan 0.000 0.433 101 H N -0.410 118.784 119.070 0.206 0.000 2.333 101 H HA 0.052 4.608 4.556 0.000 0.000 0.302 101 H C 2.478 177.940 175.328 0.223 0.000 1.075 101 H CA 1.426 57.591 56.048 0.196 0.000 1.348 101 H CB -0.978 28.897 29.762 0.188 0.000 1.393 101 H HN 0.371 nan 8.280 nan 0.000 0.509 102 V N 1.289 121.400 119.914 0.328 0.000 2.407 102 V HA -0.204 3.916 4.120 0.000 0.000 0.248 102 V C 2.148 178.430 176.094 0.313 0.000 1.055 102 V CA 1.461 63.954 62.300 0.322 0.000 1.049 102 V CB -0.486 31.448 31.823 0.186 0.000 0.662 102 V HN 0.553 nan 8.190 nan 0.000 0.455 103 W N 0.534 121.883 121.300 0.080 0.000 2.436 103 W HA -0.122 4.538 4.660 -0.000 0.000 0.284 103 W C 2.577 179.147 176.519 0.085 0.000 1.225 103 W CA 1.441 58.825 57.345 0.065 0.000 1.271 103 W CB -0.150 29.343 29.460 0.054 0.000 1.114 103 W HN 0.184 nan 8.180 nan 0.000 0.559 104 R N 1.184 121.756 120.500 0.120 0.000 2.073 104 R HA -0.175 4.165 4.340 0.000 0.000 0.234 104 R C 1.714 177.972 176.300 -0.069 0.000 1.134 104 R CA 1.723 57.827 56.100 0.007 0.000 0.952 104 R CB -0.658 29.676 30.300 0.056 0.000 0.850 104 R HN 0.128 nan 8.270 nan 0.000 0.433 105 E N 0.629 120.861 120.200 0.054 0.000 2.077 105 E HA -0.148 4.202 4.350 0.000 0.000 0.193 105 E C 2.206 178.855 176.600 0.081 0.000 0.989 105 E CA 1.001 57.413 56.400 0.020 0.000 0.800 105 E CB -0.313 29.598 29.700 0.352 0.000 0.746 105 E HN 0.437 nan 8.360 nan 0.000 0.452 106 I N 1.440 122.059 120.570 0.081 0.000 2.226 106 I HA -0.256 3.914 4.170 0.000 0.000 0.245 106 I C 2.642 178.616 176.117 -0.238 0.000 1.100 106 I CA 1.778 63.032 61.300 -0.078 0.000 1.374 106 I CB -0.398 37.335 38.000 -0.444 0.000 1.057 106 I HN 0.192 nan 8.210 nan 0.000 0.413 107 T N -1.654 112.635 114.554 -0.443 0.000 2.896 107 T HA -0.152 4.198 4.350 0.000 0.000 0.263 107 T C 2.018 176.623 174.700 -0.160 0.000 1.050 107 T CA 0.589 62.491 62.100 -0.331 0.000 1.140 107 T CB -0.358 68.239 68.868 -0.452 0.000 0.877 107 T HN 0.232 nan 8.240 nan 0.000 0.457 108 R N -0.318 120.058 120.500 -0.207 0.000 2.105 108 R HA -0.084 4.256 4.340 0.000 0.000 0.239 108 R C 1.213 177.408 176.300 -0.174 0.000 1.135 108 R CA 1.319 57.277 56.100 -0.236 0.000 0.967 108 R CB -0.323 29.751 30.300 -0.377 0.000 0.861 108 R HN 0.454 nan 8.270 nan 0.000 0.442 109 Y N 0.685 120.948 120.300 -0.062 0.000 2.470 109 Y HA 0.211 4.761 4.550 0.000 0.000 0.284 109 Y C 0.128 176.017 175.900 -0.018 0.000 1.188 109 Y CA -0.175 57.895 58.100 -0.050 0.000 1.269 109 Y CB 0.029 38.460 38.460 -0.049 0.000 1.094 109 Y HN -0.004 nan 8.280 nan 0.000 0.518 110 K N -0.390 120.092 120.400 0.136 0.000 3.035 110 K HA -0.260 4.060 4.320 0.000 0.000 0.262 110 K C 0.407 176.987 176.600 -0.035 0.000 1.024 110 K CA 0.870 57.226 56.287 0.115 0.000 0.748 110 K CB -1.585 30.963 32.500 0.079 0.000 1.247 110 K HN 0.426 nan 8.250 nan 0.000 0.482 111 M N -0.191 119.412 119.600 0.004 0.000 2.405 111 M HA 0.037 4.517 4.480 0.000 0.000 0.292 111 M C 1.688 177.920 176.300 -0.114 0.000 1.111 111 M CA -0.158 55.121 55.300 -0.034 0.000 0.979 111 M CB 0.152 32.825 32.600 0.120 0.000 1.426 111 M HN 0.285 nan 8.290 nan 0.000 0.509 112 H N -0.736 118.236 119.070 -0.164 0.000 2.422 112 H HA -0.001 4.555 4.556 0.000 0.000 0.298 112 H C 0.627 175.948 175.328 -0.012 0.000 1.098 112 H CA 1.081 57.008 56.048 -0.201 0.000 1.315 112 H CB -0.540 29.084 29.762 -0.229 0.000 1.382 112 H HN 0.320 nan 8.280 nan 0.000 0.523 113 N N 0.872 119.311 118.700 -0.433 0.000 2.322 113 N HA 0.175 4.915 4.740 0.000 0.000 0.194 113 N C 0.476 175.925 175.510 -0.101 0.000 1.126 113 N CA 0.653 53.579 53.050 -0.208 0.000 0.845 113 N CB 0.573 38.909 38.487 -0.252 0.000 0.976 113 N HN 0.486 nan 8.380 nan 0.000 0.475 114 A N 0.553 123.341 122.820 -0.054 0.000 3.003 114 A HA 0.412 4.732 4.320 0.000 0.000 0.301 114 A C 0.010 177.650 177.584 0.093 0.000 1.280 114 A CA -0.284 51.769 52.037 0.028 0.000 0.973 114 A CB -0.261 18.768 19.000 0.050 0.000 1.110 114 A HN 0.093 nan 8.150 nan 0.000 0.590 115 L N -0.409 120.843 121.223 0.049 0.000 2.333 115 L HA 0.630 4.970 4.340 0.000 0.000 0.269 115 L C -0.040 176.869 176.870 0.066 0.000 1.010 115 L CA -0.559 54.308 54.840 0.045 0.000 0.818 115 L CB 2.296 44.372 42.059 0.029 0.000 1.306 115 L HN 0.150 nan 8.230 nan 0.000 0.430 116 S N 1.075 116.836 115.700 0.102 0.000 2.526 116 S HA 0.561 5.031 4.470 0.000 0.000 0.293 116 S C -2.680 172.060 174.600 0.233 0.000 1.092 116 S CA -1.120 57.159 58.200 0.133 0.000 0.980 116 S CB 2.192 65.452 63.200 0.100 0.000 1.048 116 S HN 0.338 nan 8.310 nan 0.000 0.483 117 P HA 0.320 nan 4.420 nan 0.000 0.287 117 P C 0.130 177.497 177.300 0.111 0.000 1.294 117 P CA -0.215 63.046 63.100 0.268 0.000 0.776 117 P CB 1.084 32.936 31.700 0.254 0.000 0.889 118 S N 2.419 118.137 115.700 0.030 0.000 2.368 118 S HA -0.059 4.411 4.470 0.000 0.000 0.225 118 S C 0.648 175.066 174.600 -0.302 0.000 1.030 118 S CA 1.122 59.260 58.200 -0.103 0.000 0.999 118 S CB -0.606 62.492 63.200 -0.171 0.000 0.844 118 S HN 0.406 nan 8.310 nan 0.000 0.459 119 F N 2.419 122.283 119.950 -0.143 0.000 2.410 119 F HA 0.479 5.006 4.527 0.000 0.000 0.348 119 F C 0.541 176.123 175.800 -0.363 0.000 1.106 119 F CA -0.943 56.838 58.000 -0.365 0.000 1.163 119 F CB 0.409 39.029 39.000 -0.634 0.000 1.129 119 F HN -0.016 nan 8.300 nan 0.000 0.516 120 N N 3.308 121.911 118.700 -0.162 0.000 2.594 120 N HA 0.214 4.954 4.740 0.000 0.000 0.280 120 N C -1.061 174.517 175.510 0.112 0.000 1.156 120 N CA -0.440 52.577 53.050 -0.055 0.000 0.831 120 N CB 0.278 38.800 38.487 0.057 0.000 1.379 120 N HN 0.239 nan 8.380 nan 0.000 0.536 121 F N 1.037 121.053 119.950 0.110 0.000 2.639 121 F HA 0.199 4.726 4.527 -0.000 0.000 0.300 121 F C 2.127 177.992 175.800 0.109 0.000 1.109 121 F CA -0.304 57.767 58.000 0.118 0.000 1.335 121 F CB -0.411 38.653 39.000 0.107 0.000 1.014 121 F HN 0.535 nan 8.300 nan 0.000 0.537 122 S N 0.676 116.522 115.700 0.243 0.000 2.522 122 S HA 0.060 4.530 4.470 0.000 0.000 0.227 122 S C 0.771 175.455 174.600 0.139 0.000 0.986 122 S CA -0.113 58.186 58.200 0.165 0.000 0.929 122 S CB -0.114 63.157 63.200 0.117 0.000 0.769 122 S HN 0.541 nan 8.310 nan 0.000 0.529 123 R N -1.845 118.746 120.500 0.152 0.000 2.762 123 R HA 0.648 4.988 4.340 0.000 0.000 0.271 123 R C 0.410 176.783 176.300 0.121 0.000 1.038 123 R CA -0.603 55.566 56.100 0.115 0.000 0.906 123 R CB -0.091 30.264 30.300 0.092 0.000 1.259 123 R HN 0.540 nan 8.270 nan 0.000 0.457 124 G N -0.280 108.571 108.800 0.085 0.000 2.593 124 G HA2 -0.268 3.692 3.960 0.000 0.000 0.237 124 G HA3 -0.268 3.692 3.960 0.000 0.000 0.237 124 G C 0.720 175.638 174.900 0.030 0.000 1.312 124 G CA 0.504 45.645 45.100 0.068 0.000 0.896 124 G HN 1.469 nan 8.290 nan 0.000 0.574 125 V N -2.038 117.862 119.914 -0.024 0.000 2.515 125 V HA 0.063 4.183 4.120 0.000 0.000 0.250 125 V C 1.611 177.574 176.094 -0.219 0.000 1.058 125 V CA 2.336 64.519 62.300 -0.195 0.000 1.064 125 V CB -1.149 30.384 31.823 -0.483 0.000 0.675 125 V HN 2.526 nan 8.190 nan 0.000 0.461 126 N N 1.507 120.169 118.700 -0.063 0.000 2.727 126 N HA -0.220 4.520 4.740 0.000 0.000 0.249 126 N C -0.303 175.065 175.510 -0.236 0.000 1.048 126 N CA 1.326 54.363 53.050 -0.021 0.000 0.714 126 N CB -1.823 36.684 38.487 0.033 0.000 0.959 126 N HN 1.175 nan 8.380 nan 0.000 0.544 127 H N -2.258 116.665 119.070 -0.245 0.000 2.961 127 H HA 0.613 5.169 4.556 0.000 0.000 0.371 127 H C -1.182 173.908 175.328 -0.396 0.000 1.190 127 H CA -1.293 54.525 56.048 -0.385 0.000 1.138 127 H CB 0.077 29.812 29.762 -0.046 0.000 1.816 127 H HN 0.020 nan 8.280 nan 0.000 0.551 128 F N 1.753 121.512 119.950 -0.318 0.000 2.404 128 F HA 0.400 4.927 4.527 0.000 0.000 0.339 128 F C -0.254 175.433 175.800 -0.188 0.000 1.105 128 F CA -0.560 57.294 58.000 -0.243 0.000 1.087 128 F CB 1.610 40.483 39.000 -0.211 0.000 1.143 128 F HN 0.766 nan 8.300 nan 0.000 0.491 129 Q N 6.979 126.192 119.800 -0.978 0.000 2.381 129 Q HA 0.451 4.791 4.340 0.000 0.000 0.263 129 Q C -2.053 173.303 176.000 -1.073 0.000 1.030 129 Q CA -1.007 54.281 55.803 -0.858 0.000 0.772 129 Q CB 1.360 29.997 28.738 -0.169 0.000 1.232 129 Q HN 0.801 nan 8.270 nan 0.000 0.476 130 L N 4.954 125.596 121.223 -0.969 0.000 2.272 130 L HA 0.511 4.851 4.340 0.000 0.000 0.289 130 L C -1.182 175.525 176.870 -0.271 0.000 1.032 130 L CA -0.067 54.422 54.840 -0.584 0.000 0.810 130 L CB 0.942 42.777 42.059 -0.374 0.000 1.205 130 L HN 0.571 nan 8.230 nan 0.000 0.422 131 R N 3.040 123.496 120.500 -0.073 0.000 2.439 131 R HA 0.421 4.761 4.340 0.000 0.000 0.310 131 R C 0.124 176.592 176.300 0.280 0.000 0.955 131 R CA 0.065 56.225 56.100 0.099 0.000 0.853 131 R CB 1.271 31.717 30.300 0.245 0.000 1.171 131 R HN 0.743 nan 8.270 nan 0.000 0.449 132 T N -1.564 113.105 114.554 0.192 0.000 3.040 132 T HA 0.081 4.431 4.350 0.000 0.000 0.266 132 T C 0.141 174.918 174.700 0.128 0.000 1.005 132 T CA -0.250 61.979 62.100 0.215 0.000 0.906 132 T CB -0.218 68.714 68.868 0.108 0.000 1.082 132 T HN 0.688 nan 8.240 nan 0.000 0.531 133 N N -0.595 118.028 118.700 -0.129 0.000 2.708 133 N HA 0.489 5.229 4.740 0.000 0.000 0.257 133 N C -3.027 171.819 175.510 -1.106 0.000 1.373 133 N CA -1.867 50.855 53.050 -0.545 0.000 0.843 133 N CB 0.925 39.246 38.487 -0.276 0.000 1.503 133 N HN -0.311 nan 8.380 nan 0.000 0.504 134 P HA -0.028 nan 4.420 nan 0.000 0.228 134 P C 0.349 177.393 177.300 -0.427 0.000 1.151 134 P CA 1.344 63.852 63.100 -0.987 0.000 0.770 134 P CB 0.060 31.438 31.700 -0.537 0.000 0.786 135 T N -5.726 108.638 114.554 -0.317 0.000 3.084 135 T HA 0.218 4.568 4.350 0.000 0.000 0.270 135 T C 0.347 174.979 174.700 -0.113 0.000 1.008 135 T CA -0.123 61.876 62.100 -0.168 0.000 0.900 135 T CB -0.561 68.229 68.868 -0.130 0.000 1.084 135 T HN 0.099 nan 8.240 nan 0.000 0.538 136 T N -1.412 113.070 114.554 -0.120 0.000 2.900 136 T HA 0.752 5.102 4.350 0.000 0.000 0.303 136 T C -1.013 173.626 174.700 -0.102 0.000 1.142 136 T CA -0.651 61.398 62.100 -0.086 0.000 1.007 136 T CB 2.106 70.923 68.868 -0.084 0.000 1.156 136 T HN 0.020 nan 8.240 nan 0.000 0.490 137 S N 0.252 115.876 115.700 -0.127 0.000 2.570 137 S HA 0.795 5.265 4.470 0.000 0.000 0.286 137 S C -0.851 173.550 174.600 -0.332 0.000 1.099 137 S CA -0.793 57.231 58.200 -0.294 0.000 0.913 137 S CB 2.104 65.006 63.200 -0.497 0.000 1.085 137 S HN 0.916 nan 8.310 nan 0.000 0.480 138 T N 2.562 116.852 114.554 -0.440 0.000 2.792 138 T HA 0.550 4.900 4.350 0.000 0.000 0.280 138 T C -1.481 172.898 174.700 -0.535 0.000 0.990 138 T CA -0.255 61.646 62.100 -0.332 0.000 0.960 138 T CB 0.329 69.087 68.868 -0.184 0.000 0.939 138 T HN 0.427 nan 8.240 nan 0.000 0.439 139 Y N 3.608 123.790 120.300 -0.198 0.000 2.377 139 Y HA 0.722 5.272 4.550 -0.000 0.000 0.339 139 Y C 0.430 176.236 175.900 -0.157 0.000 1.011 139 Y CA -1.211 56.722 58.100 -0.278 0.000 1.093 139 Y CB 1.398 39.634 38.460 -0.374 0.000 1.201 139 Y HN 0.556 nan 8.280 nan 0.000 0.455 140 M N 0.065 119.684 119.600 0.032 0.000 2.622 140 M HA 0.628 5.108 4.480 0.000 0.000 0.276 140 M C -0.679 175.627 176.300 0.009 0.000 1.265 140 M CA -1.037 54.287 55.300 0.039 0.000 0.850 140 M CB 2.040 34.683 32.600 0.072 0.000 1.720 140 M HN 0.575 nan 8.290 nan 0.000 0.465 141 T N -2.203 112.333 114.554 -0.030 0.000 2.734 141 T HA 0.149 4.499 4.350 0.000 0.000 0.314 141 T C 0.805 175.407 174.700 -0.164 0.000 1.057 141 T CA 0.080 62.114 62.100 -0.109 0.000 1.047 141 T CB 0.190 69.025 68.868 -0.055 0.000 0.991 141 T HN 0.726 nan 8.240 nan 0.000 0.540 142 H N -0.324 118.648 119.070 -0.163 0.000 2.495 142 H HA 0.036 4.592 4.556 0.000 0.000 0.287 142 H C 2.160 177.394 175.328 -0.157 0.000 1.033 142 H CA 1.576 57.469 56.048 -0.257 0.000 1.307 142 H CB 0.035 29.425 29.762 -0.620 0.000 1.401 142 H HN 0.910 nan 8.280 nan 0.000 0.555 143 E N 0.593 120.798 120.200 0.009 0.000 2.072 143 E HA -0.074 4.276 4.350 0.000 0.000 0.190 143 E C 2.249 178.831 176.600 -0.030 0.000 0.982 143 E CA 0.746 57.145 56.400 -0.001 0.000 0.803 143 E CB 0.133 29.838 29.700 0.009 0.000 0.755 143 E HN 0.352 nan 8.360 nan 0.000 0.453 144 A N 1.121 123.921 122.820 -0.035 0.000 2.014 144 A HA -0.185 4.135 4.320 0.000 0.000 0.218 144 A C 2.019 179.555 177.584 -0.080 0.000 1.163 144 A CA 1.369 53.383 52.037 -0.038 0.000 0.652 144 A CB -0.444 18.549 19.000 -0.012 0.000 0.808 144 A HN 0.438 nan 8.150 nan 0.000 0.449 145 E N 0.181 120.307 120.200 -0.124 0.000 2.028 145 E HA -0.240 4.110 4.350 0.000 0.000 0.191 145 E C 1.140 177.545 176.600 -0.324 0.000 0.988 145 E CA 1.405 57.606 56.400 -0.332 0.000 0.799 145 E CB -0.193 29.172 29.700 -0.558 0.000 0.755 145 E HN 0.504 nan 8.360 nan 0.000 0.447 146 D N 0.472 120.763 120.400 -0.181 0.000 2.123 146 D HA -0.204 4.436 4.640 0.000 0.000 0.196 146 D C 1.910 178.080 176.300 -0.217 0.000 0.992 146 D CA 1.429 55.357 54.000 -0.120 0.000 0.833 146 D CB -0.294 40.531 40.800 0.042 0.000 0.954 146 D HN 0.250 nan 8.370 nan 0.000 0.455 147 E N 0.528 120.640 120.200 -0.146 0.000 2.072 147 E HA -0.117 4.233 4.350 0.000 0.000 0.191 147 E C 1.991 178.489 176.600 -0.170 0.000 0.985 147 E CA 0.402 56.727 56.400 -0.125 0.000 0.801 147 E CB -0.481 29.174 29.700 -0.075 0.000 0.750 147 E HN 0.168 nan 8.360 nan 0.000 0.452 148 L N 0.041 121.152 121.223 -0.187 0.000 1.989 148 L HA -0.128 4.212 4.340 0.000 0.000 0.211 148 L C 2.234 178.941 176.870 -0.273 0.000 1.071 148 L CA 1.713 56.442 54.840 -0.186 0.000 0.749 148 L CB -0.656 41.313 42.059 -0.149 0.000 0.890 148 L HN 0.270 nan 8.230 nan 0.000 0.431 149 L N -0.528 120.421 121.223 -0.456 0.000 2.017 149 L HA -0.222 4.118 4.340 0.000 0.000 0.208 149 L C 2.788 179.290 176.870 -0.613 0.000 1.073 149 L CA 2.117 56.544 54.840 -0.688 0.000 0.745 149 L CB -0.693 40.610 42.059 -1.260 0.000 0.894 149 L HN 0.388 nan 8.230 nan 0.000 0.432 150 R N -0.737 119.444 120.500 -0.531 0.000 2.083 150 R HA -0.194 4.146 4.340 0.000 0.000 0.237 150 R C 2.373 178.641 176.300 -0.052 0.000 1.137 150 R CA 1.880 57.871 56.100 -0.182 0.000 0.951 150 R CB -1.085 29.173 30.300 -0.070 0.000 0.851 150 R HN 0.231 nan 8.270 nan 0.000 0.434 151 S N 0.291 115.936 115.700 -0.092 0.000 2.348 151 S HA -0.111 4.359 4.470 0.000 0.000 0.221 151 S C 2.178 176.778 174.600 0.001 0.000 1.033 151 S CA 1.247 59.430 58.200 -0.028 0.000 1.010 151 S CB -0.490 62.675 63.200 -0.057 0.000 0.891 151 S HN 0.594 nan 8.310 nan 0.000 0.442 152 A N 1.347 124.116 122.820 -0.085 0.000 1.877 152 A HA 0.059 4.379 4.320 0.000 0.000 0.216 152 A C 2.284 179.821 177.584 -0.078 0.000 1.186 152 A CA 1.563 53.540 52.037 -0.100 0.000 0.620 152 A CB -0.924 17.970 19.000 -0.177 0.000 0.822 152 A HN 0.582 nan 8.150 nan 0.000 0.443 153 L N -1.488 119.675 121.223 -0.101 0.000 2.141 153 L HA -0.184 4.156 4.340 0.000 0.000 0.209 153 L C 2.565 179.420 176.870 -0.025 0.000 1.094 153 L CA 1.589 56.389 54.840 -0.067 0.000 0.763 153 L CB -0.570 41.471 42.059 -0.030 0.000 0.908 153 L HN 0.689 nan 8.230 nan 0.000 0.437 154 H N 0.495 119.567 119.070 0.003 0.000 2.321 154 H HA -0.165 4.391 4.556 -0.000 0.000 0.300 154 H C 2.223 177.559 175.328 0.014 0.000 1.087 154 H CA 1.831 57.907 56.048 0.047 0.000 1.319 154 H CB 0.187 29.988 29.762 0.064 0.000 1.379 154 H HN 0.111 nan 8.280 nan 0.000 0.501 155 K N -0.775 119.599 120.400 -0.043 0.000 2.057 155 K HA -0.090 4.230 4.320 0.000 0.000 0.206 155 K C 2.014 178.567 176.600 -0.078 0.000 1.050 155 K CA 1.176 57.411 56.287 -0.087 0.000 0.935 155 K CB -0.270 32.234 32.500 0.008 0.000 0.715 155 K HN 0.189 nan 8.250 nan 0.000 0.439 156 F N 1.981 121.812 119.950 -0.199 0.000 2.126 156 F HA -0.237 4.290 4.527 0.000 0.000 0.299 156 F C 2.298 178.023 175.800 -0.126 0.000 1.096 156 F CA 1.988 59.865 58.000 -0.205 0.000 1.255 156 F CB -0.527 38.325 39.000 -0.246 0.000 0.997 156 F HN 0.071 nan 8.300 nan 0.000 0.479 157 T N -2.863 111.561 114.554 -0.217 0.000 3.065 157 T HA 0.025 4.375 4.350 0.000 0.000 0.252 157 T C 1.106 175.667 174.700 -0.230 0.000 1.099 157 T CA 0.344 62.243 62.100 -0.335 0.000 1.063 157 T CB -0.614 67.805 68.868 -0.748 0.000 0.948 157 T HN 0.127 nan 8.240 nan 0.000 0.506 158 N N 2.403 120.954 118.700 -0.247 0.000 3.259 158 N HA 0.137 4.877 4.740 0.000 0.000 0.308 158 N C 1.230 176.653 175.510 -0.145 0.000 1.334 158 N CA -0.194 52.725 53.050 -0.218 0.000 1.202 158 N CB 0.141 38.387 38.487 -0.401 0.000 1.485 158 N HN 0.411 nan 8.380 nan 0.000 0.549 159 V N -1.945 117.882 119.914 -0.144 0.000 3.217 159 V HA 0.047 4.167 4.120 0.000 0.000 0.264 159 V C 0.682 176.757 176.094 -0.031 0.000 1.135 159 V CA 1.401 63.634 62.300 -0.112 0.000 1.142 159 V CB -0.376 31.238 31.823 -0.348 0.000 0.754 159 V HN 0.414 nan 8.190 nan 0.000 0.484 160 D N -1.384 118.993 120.400 -0.038 0.000 2.538 160 D HA 0.286 4.926 4.640 0.000 0.000 0.241 160 D C 1.461 177.766 176.300 0.009 0.000 1.297 160 D CA 0.376 54.384 54.000 0.013 0.000 0.804 160 D CB 0.323 41.134 40.800 0.018 0.000 1.122 160 D HN 0.670 nan 8.370 nan 0.000 0.519 161 G N 0.751 109.548 108.800 -0.004 0.000 2.205 161 G HA2 -0.308 3.652 3.960 0.000 0.000 0.261 161 G HA3 -0.308 3.652 3.960 0.000 0.000 0.261 161 G C 0.875 175.787 174.900 0.020 0.000 0.980 161 G CA 0.900 46.007 45.100 0.011 0.000 0.632 161 G HN 0.926 nan 8.290 nan 0.000 0.533 162 T N -2.619 111.938 114.554 0.006 0.000 3.393 162 T HA 0.404 4.754 4.350 0.000 0.000 0.298 162 T C 0.640 175.361 174.700 0.035 0.000 1.004 162 T CA 0.624 62.726 62.100 0.003 0.000 0.956 162 T CB -0.127 68.707 68.868 -0.057 0.000 1.182 162 T HN 0.705 nan 8.240 nan 0.000 0.497 163 N N 1.398 120.141 118.700 0.071 0.000 2.735 163 N HA -0.216 4.524 4.740 0.000 0.000 0.248 163 N C 1.165 176.873 175.510 0.330 0.000 1.083 163 N CA 1.303 54.476 53.050 0.205 0.000 0.703 163 N CB -1.614 37.140 38.487 0.444 0.000 1.005 163 N HN 1.177 nan 8.380 nan 0.000 0.550 164 G N -0.643 108.235 108.800 0.129 0.000 2.213 164 G HA2 -0.366 3.594 3.960 0.000 0.000 0.236 164 G HA3 -0.366 3.594 3.960 0.000 0.000 0.236 164 G C 0.982 175.939 174.900 0.094 0.000 0.991 164 G CA 0.526 45.734 45.100 0.179 0.000 0.629 164 G HN 0.497 nan 8.290 nan 0.000 0.517 165 R N 0.133 120.506 120.500 -0.212 0.000 2.148 165 R HA 0.036 4.376 4.340 0.000 0.000 0.227 165 R C 2.502 178.676 176.300 -0.211 0.000 1.103 165 R CA 1.754 57.552 56.100 -0.502 0.000 0.983 165 R CB -0.293 29.622 30.300 -0.642 0.000 0.874 165 R HN 0.462 nan 8.270 nan 0.000 0.451 166 T N 0.177 114.681 114.554 -0.083 0.000 2.894 166 T HA -0.050 4.300 4.350 0.000 0.000 0.258 166 T C 1.941 176.684 174.700 0.072 0.000 1.043 166 T CA 1.264 63.360 62.100 -0.007 0.000 1.141 166 T CB 0.046 68.924 68.868 0.016 0.000 0.873 166 T HN 0.207 nan 8.240 nan 0.000 0.449 167 V N -1.016 118.964 119.914 0.111 0.000 2.951 167 V HA 0.328 4.448 4.120 0.000 0.000 0.255 167 V C 0.925 177.143 176.094 0.208 0.000 1.088 167 V CA 0.645 63.082 62.300 0.229 0.000 1.109 167 V CB -0.390 31.641 31.823 0.347 0.000 0.724 167 V HN 0.280 nan 8.190 nan 0.000 0.471 168 L N 1.993 123.267 121.223 0.085 0.000 2.625 168 L HA 0.541 4.881 4.340 0.000 0.000 0.255 168 L C -1.593 175.251 176.870 -0.042 0.000 1.493 168 L CA -1.335 53.467 54.840 -0.063 0.000 0.796 168 L CB 1.320 43.237 42.059 -0.237 0.000 1.064 168 L HN 0.004 nan 8.230 nan 0.000 0.516 169 P HA -0.066 nan 4.420 nan 0.000 0.221 169 P C 0.012 176.935 177.300 -0.628 0.000 1.150 169 P CA 1.052 63.925 63.100 -0.378 0.000 0.800 169 P CB 0.047 31.463 31.700 -0.474 0.000 0.787 170 F N 0.886 120.737 119.950 -0.166 0.000 2.564 170 F HA 0.360 4.887 4.527 -0.000 0.000 0.361 170 F C -1.470 174.213 175.800 -0.194 0.000 1.161 170 F CA -2.547 55.335 58.000 -0.197 0.000 1.198 170 F CB 1.045 39.837 39.000 -0.347 0.000 1.424 170 F HN -0.167 nan 8.300 nan 0.000 0.517 171 P HA -0.222 nan 4.420 nan 0.000 0.218 171 P C 1.008 178.118 177.300 -0.317 0.000 1.146 171 P CA 1.730 64.563 63.100 -0.445 0.000 0.813 171 P CB 0.055 31.256 31.700 -0.832 0.000 0.778 172 H N -1.252 117.755 119.070 -0.106 0.000 2.521 172 H HA 0.004 4.560 4.556 0.000 0.000 0.286 172 H C 0.504 175.830 175.328 -0.003 0.000 1.034 172 H CA 1.258 57.294 56.048 -0.020 0.000 1.278 172 H CB -0.268 29.485 29.762 -0.015 0.000 1.386 172 H HN 0.141 nan 8.280 nan 0.000 0.567 173 D N 0.004 120.449 120.400 0.075 0.000 2.405 173 D HA 0.027 4.667 4.640 0.000 0.000 0.264 173 D C 1.163 177.473 176.300 0.016 0.000 1.240 173 D CA -0.344 53.697 54.000 0.069 0.000 0.893 173 D CB -0.003 40.858 40.800 0.102 0.000 1.198 173 D HN 0.264 nan 8.370 nan 0.000 0.514 174 M N -0.352 119.144 119.600 -0.173 0.000 2.358 174 M HA 0.027 4.507 4.480 0.000 0.000 0.264 174 M C -0.048 176.154 176.300 -0.163 0.000 1.064 174 M CA 1.302 56.393 55.300 -0.348 0.000 1.093 174 M CB -0.337 32.011 32.600 -0.420 0.000 1.401 174 M HN 0.034 nan 8.290 nan 0.000 0.440 175 F N -1.081 118.993 119.950 0.208 0.000 2.641 175 F HA 0.219 4.746 4.527 -0.000 0.000 0.302 175 F C 1.689 177.613 175.800 0.206 0.000 1.098 175 F CA -0.852 57.276 58.000 0.214 0.000 1.318 175 F CB -1.016 38.077 39.000 0.154 0.000 1.035 175 F HN 0.085 nan 8.300 nan 0.000 0.551 176 Y N 0.630 121.066 120.300 0.227 0.000 2.165 176 Y HA -0.104 4.446 4.550 -0.000 0.000 0.286 176 Y C 0.767 176.786 175.900 0.199 0.000 1.155 176 Y CA 1.075 59.292 58.100 0.195 0.000 1.164 176 Y CB 0.033 38.626 38.460 0.221 0.000 0.978 176 Y HN -0.226 nan 8.280 nan 0.000 0.513 177 V N 2.368 122.473 119.914 0.318 0.000 2.370 177 V HA 0.178 4.298 4.120 0.000 0.000 0.283 177 V C -1.641 174.619 176.094 0.277 0.000 1.023 177 V CA -1.434 61.003 62.300 0.228 0.000 0.857 177 V CB 1.328 33.309 31.823 0.264 0.000 0.985 177 V HN 0.065 nan 8.190 nan 0.000 0.443 178 P HA -0.118 nan 4.420 nan 0.000 0.220 178 P C 1.269 178.701 177.300 0.221 0.000 1.148 178 P CA 0.739 63.968 63.100 0.215 0.000 0.803 178 P CB 0.236 32.002 31.700 0.110 0.000 0.782 179 E N -0.954 119.368 120.200 0.204 0.000 2.478 179 E HA -0.152 4.198 4.350 0.000 0.000 0.198 179 E C 1.576 178.329 176.600 0.255 0.000 1.046 179 E CA 0.447 56.952 56.400 0.175 0.000 0.870 179 E CB -1.147 28.645 29.700 0.153 0.000 0.818 179 E HN 0.278 nan 8.360 nan 0.000 0.527 180 F N 2.674 122.765 119.950 0.234 0.000 2.234 180 F HA -0.036 4.491 4.527 0.000 0.000 0.299 180 F C 2.462 178.394 175.800 0.221 0.000 1.087 180 F CA 1.096 59.269 58.000 0.289 0.000 1.340 180 F CB -0.072 39.055 39.000 0.212 0.000 1.031 180 F HN -0.115 nan 8.300 nan 0.000 0.500 181 R N 1.289 121.865 120.500 0.127 0.000 2.113 181 R HA -0.258 4.082 4.340 0.000 0.000 0.244 181 R C 2.521 178.719 176.300 -0.170 0.000 1.142 181 R CA 2.169 58.297 56.100 0.047 0.000 0.953 181 R CB -0.570 29.864 30.300 0.224 0.000 0.860 181 R HN 0.368 nan 8.270 nan 0.000 0.438 182 K N -0.254 120.010 120.400 -0.227 0.000 2.218 182 K HA -0.211 4.109 4.320 0.000 0.000 0.205 182 K C 1.443 177.783 176.600 -0.434 0.000 1.046 182 K CA 1.662 57.746 56.287 -0.339 0.000 0.933 182 K CB -0.262 31.995 32.500 -0.405 0.000 0.728 182 K HN 0.304 nan 8.250 nan 0.000 0.454 183 Y N 1.431 121.586 120.300 -0.242 0.000 2.286 183 Y HA -0.064 4.486 4.550 -0.000 0.000 0.293 183 Y C 2.161 177.899 175.900 -0.270 0.000 1.124 183 Y CA 1.237 59.209 58.100 -0.213 0.000 1.178 183 Y CB -0.654 37.603 38.460 -0.338 0.000 1.010 183 Y HN 0.267 nan 8.280 nan 0.000 0.536 184 D N 0.545 120.704 120.400 -0.402 0.000 2.182 184 D HA -0.185 4.455 4.640 0.000 0.000 0.201 184 D C 1.229 177.515 176.300 -0.023 0.000 0.986 184 D CA 1.360 55.251 54.000 -0.183 0.000 0.847 184 D CB -0.030 40.690 40.800 -0.133 0.000 0.942 184 D HN 0.416 nan 8.370 nan 0.000 0.467 185 E N -1.021 119.156 120.200 -0.038 0.000 2.502 185 E HA 0.087 4.437 4.350 0.000 0.000 0.194 185 E C 0.152 176.774 176.600 0.038 0.000 1.062 185 E CA -0.094 56.309 56.400 0.004 0.000 0.867 185 E CB 0.232 29.922 29.700 -0.017 0.000 0.888 185 E HN 0.404 nan 8.360 nan 0.000 0.510 186 M N 0.671 120.329 119.600 0.097 0.000 2.409 186 M HA 0.175 4.655 4.480 0.000 0.000 0.329 186 M C 0.218 176.639 176.300 0.201 0.000 1.180 186 M CA -0.533 54.856 55.300 0.149 0.000 1.053 186 M CB 1.694 34.439 32.600 0.243 0.000 1.586 186 M HN -0.099 nan 8.290 nan 0.000 0.461 187 S N 0.866 116.660 115.700 0.156 0.000 2.687 187 S HA 0.327 4.797 4.470 0.000 0.000 0.283 187 S C 0.747 175.525 174.600 0.296 0.000 1.170 187 S CA -0.747 57.557 58.200 0.173 0.000 1.008 187 S CB 0.705 63.960 63.200 0.091 0.000 1.026 187 S HN 0.621 nan 8.310 nan 0.000 0.541 188 Y N 2.078 122.486 120.300 0.179 0.000 2.069 188 Y HA -0.216 4.334 4.550 0.000 0.000 0.278 188 Y C 3.242 179.190 175.900 0.080 0.000 1.175 188 Y CA 1.606 59.814 58.100 0.180 0.000 1.134 188 Y CB -1.619 36.898 38.460 0.095 0.000 0.965 188 Y HN 0.935 nan 8.280 nan 0.000 0.498 189 S N -0.457 115.382 115.700 0.232 0.000 2.400 189 S HA -0.244 4.226 4.470 0.000 0.000 0.232 189 S C 1.917 176.552 174.600 0.059 0.000 1.025 189 S CA 1.455 59.723 58.200 0.113 0.000 0.993 189 S CB -0.563 62.688 63.200 0.084 0.000 0.808 189 S HN 0.633 nan 8.310 nan 0.000 0.478 190 E N 0.914 121.144 120.200 0.052 0.000 2.106 190 E HA -0.150 4.200 4.350 0.000 0.000 0.192 190 E C 2.285 178.846 176.600 -0.065 0.000 0.984 190 E CA 0.777 57.178 56.400 0.002 0.000 0.806 190 E CB -0.038 29.670 29.700 0.014 0.000 0.750 190 E HN 0.447 nan 8.360 nan 0.000 0.458 191 R N 0.869 121.285 120.500 -0.140 0.000 2.062 191 R HA 0.024 4.364 4.340 0.000 0.000 0.226 191 R C 2.119 178.336 176.300 -0.138 0.000 1.125 191 R CA 1.247 57.141 56.100 -0.342 0.000 0.966 191 R CB -0.682 29.014 30.300 -1.007 0.000 0.861 191 R HN 0.235 nan 8.270 nan 0.000 0.433 192 I N 1.021 121.592 120.570 0.002 0.000 2.335 192 I HA -0.279 3.891 4.170 0.000 0.000 0.251 192 I C 1.103 177.213 176.117 -0.011 0.000 1.129 192 I CA 1.631 62.941 61.300 0.018 0.000 1.402 192 I CB -0.305 37.698 38.000 0.004 0.000 1.069 192 I HN 0.190 nan 8.210 nan 0.000 0.424 193 D N 0.164 120.555 120.400 -0.015 0.000 2.269 193 D HA -0.139 4.501 4.640 0.000 0.000 0.208 193 D C 2.158 178.443 176.300 -0.024 0.000 0.963 193 D CA 0.795 54.786 54.000 -0.014 0.000 0.864 193 D CB -0.107 40.688 40.800 -0.007 0.000 0.936 193 D HN 0.396 nan 8.370 nan 0.000 0.505 194 Q N -0.356 119.418 119.800 -0.044 0.000 2.297 194 Q HA -0.004 4.336 4.340 0.000 0.000 0.204 194 Q C 1.753 177.731 176.000 -0.037 0.000 0.962 194 Q CA 0.750 56.526 55.803 -0.045 0.000 0.879 194 Q CB 0.236 28.931 28.738 -0.071 0.000 0.947 194 Q HN 0.487 nan 8.270 nan 0.000 0.462 195 I N -4.534 116.015 120.570 -0.035 0.000 4.338 195 I HA 0.206 4.376 4.170 0.000 0.000 0.329 195 I C 1.778 177.886 176.117 -0.015 0.000 1.378 195 I CA -0.385 60.901 61.300 -0.025 0.000 1.170 195 I CB 0.151 38.135 38.000 -0.026 0.000 1.206 195 I HN -0.137 nan 8.210 nan 0.000 0.432 196 R N 2.062 122.554 120.500 -0.014 0.000 2.113 196 R HA -0.216 4.124 4.340 0.000 0.000 0.244 196 R C 1.321 177.616 176.300 -0.008 0.000 1.142 196 R CA 2.660 58.754 56.100 -0.010 0.000 0.953 196 R CB -0.276 30.019 30.300 -0.007 0.000 0.860 196 R HN 0.391 nan 8.270 nan 0.000 0.438 197 D N 0.135 120.530 120.400 -0.007 0.000 2.309 197 D HA -0.126 4.514 4.640 0.000 0.000 0.212 197 D C 1.213 177.511 176.300 -0.004 0.000 0.968 197 D CA 0.942 54.939 54.000 -0.005 0.000 0.882 197 D CB 0.009 40.807 40.800 -0.004 0.000 0.918 197 D HN 0.370 nan 8.370 nan 0.000 0.503 198 E N -0.338 119.859 120.200 -0.005 0.000 2.472 198 E HA 0.124 4.474 4.350 0.000 0.000 0.196 198 E C 0.387 176.984 176.600 -0.005 0.000 1.033 198 E CA -0.035 56.363 56.400 -0.002 0.000 0.886 198 E CB 0.887 30.587 29.700 0.001 0.000 0.944 198 E HN 0.298 nan 8.360 nan 0.000 0.492 199 L N 1.921 123.138 121.223 -0.010 0.000 2.295 199 L HA 0.202 4.542 4.340 0.000 0.000 0.285 199 L C 0.783 177.645 176.870 -0.013 0.000 1.035 199 L CA -0.658 54.172 54.840 -0.016 0.000 0.806 199 L CB 1.491 43.534 42.059 -0.027 0.000 1.214 199 L HN -0.076 nan 8.230 nan 0.000 0.426 200 S N 2.107 117.799 115.700 -0.014 0.000 2.589 200 S HA 0.068 4.538 4.470 0.000 0.000 0.265 200 S C 0.965 175.562 174.600 -0.005 0.000 1.342 200 S CA -0.599 57.596 58.200 -0.009 0.000 1.005 200 S CB 0.947 64.141 63.200 -0.010 0.000 0.909 200 S HN 0.607 nan 8.310 nan 0.000 0.555 201 L N 1.382 122.606 121.223 0.002 0.000 2.043 201 L HA -0.133 4.207 4.340 0.000 0.000 0.212 201 L C 1.972 178.855 176.870 0.021 0.000 1.075 201 L CA 1.997 56.846 54.840 0.015 0.000 0.752 201 L CB -1.102 40.968 42.059 0.017 0.000 0.891 201 L HN 0.724 nan 8.230 nan 0.000 0.432 202 N N -0.225 118.482 118.700 0.011 0.000 2.188 202 N HA -0.161 4.579 4.740 0.000 0.000 0.184 202 N C 1.759 177.267 175.510 -0.004 0.000 1.018 202 N CA 1.433 54.493 53.050 0.017 0.000 0.858 202 N CB -0.163 38.332 38.487 0.013 0.000 0.989 202 N HN 0.541 nan 8.380 nan 0.000 0.426 203 E N 0.578 120.761 120.200 -0.028 0.000 2.031 203 E HA -0.128 4.222 4.350 0.000 0.000 0.193 203 E C 2.066 178.617 176.600 -0.083 0.000 0.994 203 E CA 0.769 57.132 56.400 -0.063 0.000 0.800 203 E CB -0.001 29.664 29.700 -0.058 0.000 0.752 203 E HN 0.238 nan 8.360 nan 0.000 0.447 204 R N 0.428 120.894 120.500 -0.056 0.000 2.092 204 R HA -0.095 4.245 4.340 0.000 0.000 0.231 204 R C 2.323 178.584 176.300 -0.064 0.000 1.119 204 R CA 1.491 57.548 56.100 -0.071 0.000 0.970 204 R CB 0.024 30.308 30.300 -0.027 0.000 0.864 204 R HN 0.016 nan 8.270 nan 0.000 0.440 205 S N 0.062 115.768 115.700 0.011 0.000 2.348 205 S HA -0.105 4.365 4.470 0.000 0.000 0.221 205 S C 1.967 176.519 174.600 -0.081 0.000 1.033 205 S CA 1.518 59.764 58.200 0.078 0.000 1.010 205 S CB -0.174 63.130 63.200 0.172 0.000 0.891 205 S HN 0.330 nan 8.310 nan 0.000 0.442 206 S N 1.660 117.334 115.700 -0.042 0.000 2.353 206 S HA -0.097 4.373 4.470 0.000 0.000 0.222 206 S C 1.858 176.369 174.600 -0.148 0.000 1.035 206 S CA 1.268 59.438 58.200 -0.052 0.000 1.025 206 S CB -0.581 62.577 63.200 -0.069 0.000 0.902 206 S HN 0.354 nan 8.310 nan 0.000 0.440 207 L N 1.948 123.032 121.223 -0.232 0.000 1.989 207 L HA -0.132 4.208 4.340 0.000 0.000 0.211 207 L C 2.126 178.717 176.870 -0.464 0.000 1.071 207 L CA 1.931 56.555 54.840 -0.360 0.000 0.749 207 L CB -0.839 40.969 42.059 -0.417 0.000 0.890 207 L HN 0.279 nan 8.230 nan 0.000 0.431 208 E N -0.612 119.301 120.200 -0.479 0.000 2.118 208 E HA -0.230 4.120 4.350 0.000 0.000 0.195 208 E C 2.122 178.321 176.600 -0.668 0.000 0.992 208 E CA 1.138 57.199 56.400 -0.565 0.000 0.804 208 E CB -0.294 29.149 29.700 -0.428 0.000 0.741 208 E HN 0.686 nan 8.360 nan 0.000 0.458 209 A N 0.784 123.166 122.820 -0.730 0.000 1.898 209 A HA -0.175 4.145 4.320 0.000 0.000 0.216 209 A C 1.947 179.402 177.584 -0.216 0.000 1.181 209 A CA 1.004 52.740 52.037 -0.502 0.000 0.620 209 A CB -0.646 18.217 19.000 -0.228 0.000 0.819 209 A HN 0.331 nan 8.150 nan 0.000 0.442 210 F N 1.466 121.245 119.950 -0.284 0.000 2.113 210 F HA -0.134 4.393 4.527 0.000 0.000 0.297 210 F C 2.061 177.655 175.800 -0.344 0.000 1.103 210 F CA 1.827 59.669 58.000 -0.262 0.000 1.248 210 F CB -0.234 38.679 39.000 -0.145 0.000 0.999 210 F HN 0.332 nan 8.300 nan 0.000 0.475 211 I N -1.368 118.923 120.570 -0.465 0.000 2.394 211 I HA -0.188 3.982 4.170 0.000 0.000 0.251 211 I C 1.903 177.772 176.117 -0.412 0.000 1.136 211 I CA 1.448 62.296 61.300 -0.754 0.000 1.425 211 I CB -0.778 36.358 38.000 -1.440 0.000 1.079 211 I HN 0.186 nan 8.210 nan 0.000 0.425 212 L N 0.547 121.597 121.223 -0.288 0.000 2.109 212 L HA -0.116 4.224 4.340 0.000 0.000 0.207 212 L C 2.614 179.397 176.870 -0.146 0.000 1.086 212 L CA 0.916 55.695 54.840 -0.102 0.000 0.760 212 L CB -0.550 41.482 42.059 -0.045 0.000 0.910 212 L HN 0.356 nan 8.230 nan 0.000 0.437 213 L N -0.654 120.418 121.223 -0.252 0.000 2.187 213 L HA -0.234 4.106 4.340 0.000 0.000 0.213 213 L C 2.287 179.010 176.870 -0.244 0.000 1.100 213 L CA 1.773 56.445 54.840 -0.280 0.000 0.765 213 L CB -0.512 41.174 42.059 -0.622 0.000 0.904 213 L HN 0.245 nan 8.230 nan 0.000 0.437 214 C N -1.048 118.025 119.300 -0.378 0.000 2.485 214 C HA 0.028 4.488 4.460 0.000 0.000 0.278 214 C C 3.028 177.746 174.990 -0.453 0.000 1.356 214 C CA 0.715 59.483 59.018 -0.418 0.000 1.747 214 C CB -0.966 26.515 27.740 -0.432 0.000 2.001 214 C HN 0.807 nan 8.230 nan 0.000 0.501 215 S N 0.100 115.408 115.700 -0.654 0.000 2.458 215 S HA 0.235 4.705 4.470 0.000 0.000 0.223 215 S C 1.759 176.183 174.600 -0.293 0.000 1.019 215 S CA 1.340 58.867 58.200 -1.121 0.000 0.937 215 S CB -0.513 61.829 63.200 -1.430 0.000 0.788 215 S HN 1.007 nan 8.310 nan 0.000 0.511 216 G N 0.727 109.488 108.800 -0.066 0.000 2.186 216 G HA2 -0.166 3.794 3.960 0.000 0.000 0.266 216 G HA3 -0.166 3.794 3.960 0.000 0.000 0.266 216 G C 0.558 175.381 174.900 -0.127 0.000 0.982 216 G CA 0.580 45.622 45.100 -0.096 0.000 0.670 216 G HN 1.095 nan 8.290 nan 0.000 0.533 217 G N -1.155 107.548 108.800 -0.161 0.000 3.134 217 G HA2 0.799 4.759 3.960 0.000 0.000 0.158 217 G HA3 0.799 4.759 3.960 0.000 0.000 0.158 217 G C 0.301 175.155 174.900 -0.077 0.000 1.334 217 G CA 0.912 45.932 45.100 -0.134 0.000 1.001 217 G HN 1.373 nan 8.290 nan 0.000 0.600 218 T N -1.952 112.554 114.554 -0.080 0.000 2.942 218 T HA 0.475 4.825 4.350 0.000 0.000 0.289 218 T C 1.383 176.076 174.700 -0.012 0.000 1.044 218 T CA -0.707 61.382 62.100 -0.018 0.000 1.023 218 T CB 1.587 70.446 68.868 -0.014 0.000 1.123 218 T HN 0.160 nan 8.240 nan 0.000 0.512 219 L N -0.006 121.264 121.223 0.077 0.000 2.079 219 L HA -0.066 4.274 4.340 0.000 0.000 0.210 219 L C 2.791 179.706 176.870 0.075 0.000 1.081 219 L CA 1.629 56.556 54.840 0.145 0.000 0.752 219 L CB -0.476 41.669 42.059 0.142 0.000 0.896 219 L HN 0.766 nan 8.230 nan 0.000 0.433 220 E N 0.722 120.940 120.200 0.029 0.000 2.158 220 E HA -0.149 4.201 4.350 0.000 0.000 0.191 220 E C 1.553 178.146 176.600 -0.012 0.000 0.982 220 E CA 1.015 57.426 56.400 0.017 0.000 0.823 220 E CB 0.024 29.732 29.700 0.013 0.000 0.766 220 E HN 0.545 nan 8.360 nan 0.000 0.468 221 N N -0.949 117.722 118.700 -0.048 0.000 2.236 221 N HA 0.056 4.796 4.740 0.000 0.000 0.196 221 N C -0.672 174.778 175.510 -0.099 0.000 1.114 221 N CA -0.089 52.926 53.050 -0.057 0.000 0.859 221 N CB 0.390 38.846 38.487 -0.052 0.000 0.982 221 N HN -0.194 nan 8.380 nan 0.000 0.493 222 S N 0.070 115.635 115.700 -0.226 0.000 2.480 222 S HA 0.250 4.720 4.470 0.000 0.000 0.286 222 S C -0.353 174.097 174.600 -0.250 0.000 1.180 222 S CA -0.750 57.203 58.200 -0.412 0.000 1.075 222 S CB 1.277 63.755 63.200 -1.204 0.000 0.996 222 S HN 0.293 nan 8.310 nan 0.000 0.487 223 S N 2.749 118.486 115.700 0.062 0.000 2.465 223 S HA 0.142 4.612 4.470 0.000 0.000 0.280 223 S C 0.909 175.760 174.600 0.418 0.000 1.232 223 S CA -0.590 57.715 58.200 0.176 0.000 1.066 223 S CB -0.288 62.959 63.200 0.079 0.000 0.929 223 S HN 0.621 nan 8.310 nan 0.000 0.494 224 F N 5.794 125.939 119.950 0.325 0.000 2.102 224 F HA 0.069 4.596 4.527 0.000 0.000 0.298 224 F C 2.065 178.079 175.800 0.357 0.000 1.105 224 F CA 2.053 60.316 58.000 0.438 0.000 1.239 224 F CB -1.055 38.089 39.000 0.240 0.000 0.991 224 F HN 0.680 nan 8.300 nan 0.000 0.474 225 G N -0.536 108.272 108.800 0.013 0.000 2.442 225 G HA2 -0.348 3.612 3.960 0.000 0.000 0.219 225 G HA3 -0.348 3.612 3.960 0.000 0.000 0.219 225 G C 1.499 176.518 174.900 0.198 0.000 1.141 225 G CA 1.051 46.106 45.100 -0.075 0.000 0.763 225 G HN 0.426 nan 8.290 nan 0.000 0.554 226 E N -0.185 120.101 120.200 0.144 0.000 2.150 226 E HA -0.071 4.279 4.350 0.000 0.000 0.193 226 E C 1.926 178.607 176.600 0.134 0.000 0.985 226 E CA 0.530 56.931 56.400 0.002 0.000 0.814 226 E CB -0.433 28.960 29.700 -0.511 0.000 0.752 226 E HN 0.391 nan 8.360 nan 0.000 0.466 227 F N 0.522 120.644 119.950 0.286 0.000 2.146 227 F HA -0.081 4.446 4.527 0.000 0.000 0.298 227 F C 1.741 177.705 175.800 0.274 0.000 1.096 227 F CA 1.252 59.455 58.000 0.339 0.000 1.275 227 F CB -0.188 39.125 39.000 0.522 0.000 1.008 227 F HN 0.018 nan 8.300 nan 0.000 0.480 228 L N -0.288 120.976 121.223 0.068 0.000 2.081 228 L HA -0.313 4.027 4.340 0.000 0.000 0.212 228 L C 2.699 179.596 176.870 0.046 0.000 1.080 228 L CA 1.761 56.590 54.840 -0.018 0.000 0.754 228 L CB -1.152 40.864 42.059 -0.071 0.000 0.893 228 L HN 0.354 nan 8.230 nan 0.000 0.433 229 H N -0.580 118.503 119.070 0.022 0.000 2.321 229 H HA -0.218 4.338 4.556 0.000 0.000 0.300 229 H C 2.036 177.314 175.328 -0.083 0.000 1.087 229 H CA 2.228 58.240 56.048 -0.060 0.000 1.319 229 H CB -0.059 29.720 29.762 0.029 0.000 1.379 229 H HN 0.286 nan 8.280 nan 0.000 0.501 230 W N 0.731 121.977 121.300 -0.090 0.000 2.355 230 W HA -0.170 4.490 4.660 0.000 0.000 0.309 230 W C 2.818 179.140 176.519 -0.329 0.000 1.206 230 W CA 0.633 57.885 57.345 -0.156 0.000 1.284 230 W CB -1.411 28.090 29.460 0.067 0.000 1.145 230 W HN 0.357 nan 8.180 nan 0.000 0.502 231 W N 1.122 122.205 121.300 -0.363 0.000 2.317 231 W HA -0.285 4.375 4.660 0.000 0.000 0.318 231 W C 2.082 178.250 176.519 -0.585 0.000 1.227 231 W CA 2.946 60.050 57.345 -0.403 0.000 1.269 231 W CB -0.890 28.342 29.460 -0.380 0.000 1.155 231 W HN -0.090 nan 8.180 nan 0.000 0.484 232 A N 0.825 123.249 122.820 -0.660 0.000 1.865 232 A HA -0.272 4.048 4.320 0.000 0.000 0.217 232 A C 1.950 178.833 177.584 -1.169 0.000 1.191 232 A CA 2.383 53.545 52.037 -1.458 0.000 0.623 232 A CB -1.140 17.279 19.000 -0.968 0.000 0.826 232 A HN 0.285 nan 8.150 nan 0.000 0.444 233 M N 0.359 119.361 119.600 -0.996 0.000 2.195 233 M HA -0.112 4.368 4.480 0.000 0.000 0.260 233 M C 2.008 177.836 176.300 -0.786 0.000 1.066 233 M CA 1.694 56.294 55.300 -1.166 0.000 1.089 233 M CB -1.666 29.740 32.600 -1.989 0.000 1.377 233 M HN 0.380 nan 8.290 nan 0.000 0.411 234 S N -0.885 114.466 115.700 -0.581 0.000 2.562 234 S HA 0.266 4.736 4.470 0.000 0.000 0.221 234 S C 1.424 175.821 174.600 -0.339 0.000 0.975 234 S CA 0.736 58.786 58.200 -0.250 0.000 0.918 234 S CB 0.154 63.226 63.200 -0.212 0.000 0.772 234 S HN 0.751 nan 8.310 nan 0.000 0.531 235 G N 0.577 109.079 108.800 -0.497 0.000 2.154 235 G HA2 -0.246 3.714 3.960 0.000 0.000 0.186 235 G HA3 -0.246 3.714 3.960 0.000 0.000 0.186 235 G C 0.175 174.902 174.900 -0.287 0.000 1.000 235 G CA -0.357 44.556 45.100 -0.311 0.000 0.664 235 G HN 0.423 nan 8.290 nan 0.000 0.513 236 Y N -0.741 119.092 120.300 -0.778 0.000 3.491 236 Y HA -0.247 4.303 4.550 0.000 0.000 0.215 236 Y C 1.192 176.367 175.900 -1.208 0.000 1.219 236 Y CA 1.840 59.223 58.100 -1.195 0.000 1.485 236 Y CB -2.425 35.805 38.460 -0.384 0.000 1.450 236 Y HN 1.227 nan 8.280 nan 0.000 0.603 237 T N -5.525 108.317 114.554 -1.186 0.000 2.900 237 T HA 0.429 4.779 4.350 0.000 0.000 0.303 237 T C 0.294 174.629 174.700 -0.607 0.000 1.142 237 T CA -0.511 61.177 62.100 -0.686 0.000 1.007 237 T CB 1.495 70.213 68.868 -0.250 0.000 1.156 237 T HN 0.066 nan 8.240 nan 0.000 0.490 238 Y N 1.760 121.971 120.300 -0.150 0.000 2.081 238 Y HA -0.184 4.366 4.550 -0.000 0.000 0.280 238 Y C 2.655 178.473 175.900 -0.137 0.000 1.163 238 Y CA 2.480 60.573 58.100 -0.012 0.000 1.135 238 Y CB -0.397 38.067 38.460 0.007 0.000 0.970 238 Y HN 0.786 nan 8.280 nan 0.000 0.498 239 Q N 0.221 119.851 119.800 -0.283 0.000 2.124 239 Q HA -0.059 4.281 4.340 0.000 0.000 0.202 239 Q C 2.469 178.232 176.000 -0.396 0.000 0.977 239 Q CA 1.924 57.494 55.803 -0.388 0.000 0.850 239 Q CB -1.088 27.529 28.738 -0.201 0.000 0.901 239 Q HN 0.577 nan 8.270 nan 0.000 0.429 240 G N -0.450 108.145 108.800 -0.342 0.000 2.446 240 G HA2 -0.301 3.659 3.960 0.000 0.000 0.217 240 G HA3 -0.301 3.659 3.960 0.000 0.000 0.217 240 G C 1.610 176.290 174.900 -0.367 0.000 1.168 240 G CA 1.083 45.971 45.100 -0.353 0.000 0.771 240 G HN 0.502 nan 8.290 nan 0.000 0.551 241 C N 0.464 119.583 119.300 -0.302 0.000 2.413 241 C HA -0.030 4.430 4.460 0.000 0.000 0.276 241 C C 2.994 177.844 174.990 -0.234 0.000 1.236 241 C CA 1.038 59.978 59.018 -0.129 0.000 1.735 241 C CB -0.714 27.144 27.740 0.196 0.000 2.031 241 C HN 0.376 nan 8.230 nan 0.000 0.474 242 M N 0.927 120.278 119.600 -0.416 0.000 2.108 242 M HA -0.125 4.355 4.480 0.000 0.000 0.261 242 M C 1.671 177.688 176.300 -0.473 0.000 1.066 242 M CA 1.739 56.767 55.300 -0.452 0.000 1.107 242 M CB -1.640 30.570 32.600 -0.651 0.000 1.356 242 M HN 0.362 nan 8.290 nan 0.000 0.406 243 D N -0.341 119.731 120.400 -0.547 0.000 2.097 243 D HA -0.111 4.529 4.640 0.000 0.000 0.195 243 D C 2.182 177.984 176.300 -0.831 0.000 0.989 243 D CA 1.240 54.818 54.000 -0.704 0.000 0.827 243 D CB -0.304 40.018 40.800 -0.796 0.000 0.966 243 D HN 0.360 nan 8.370 nan 0.000 0.456 244 C N -0.095 118.755 119.300 -0.750 0.000 2.467 244 C HA 0.114 4.574 4.460 0.000 0.000 0.279 244 C C 2.635 177.351 174.990 -0.456 0.000 1.347 244 C CA 0.076 58.684 59.018 -0.683 0.000 1.748 244 C CB -0.717 26.690 27.740 -0.556 0.000 1.977 244 C HN 0.327 nan 8.230 nan 0.000 0.501 245 L N -1.187 119.838 121.223 -0.329 0.000 2.463 245 L HA 0.229 4.569 4.340 0.000 0.000 0.219 245 L C 1.897 178.539 176.870 -0.380 0.000 1.088 245 L CA 0.921 55.645 54.840 -0.194 0.000 0.849 245 L CB -0.158 41.864 42.059 -0.062 0.000 1.012 245 L HN 0.270 nan 8.230 nan 0.000 0.468 246 M N -2.002 117.194 119.600 -0.674 0.000 2.541 246 M HA 0.146 4.626 4.480 0.000 0.000 0.429 246 M C 0.674 176.187 176.300 -1.312 0.000 1.133 246 M CA 0.093 54.500 55.300 -1.489 0.000 0.902 246 M CB 0.794 32.809 32.600 -0.975 0.000 1.712 246 M HN -0.069 nan 8.290 nan 0.000 0.577 247 S N -0.456 114.773 115.700 -0.786 0.000 2.506 247 S HA 0.235 4.705 4.470 0.000 0.000 0.230 247 S C -0.513 173.770 174.600 -0.528 0.000 1.066 247 S CA 0.476 58.242 58.200 -0.723 0.000 0.940 247 S CB 0.405 62.899 63.200 -1.177 0.000 0.818 247 S HN 0.383 nan 8.310 nan 0.000 0.518 248 Y N 2.414 122.801 120.300 0.145 0.000 2.391 248 Y HA 0.589 5.139 4.550 0.000 0.000 0.341 248 Y C -0.114 175.879 175.900 0.154 0.000 0.965 248 Y CA -1.632 56.551 58.100 0.139 0.000 1.067 248 Y CB 1.167 39.640 38.460 0.022 0.000 1.199 248 Y HN 0.026 nan 8.280 nan 0.000 0.450 249 K N 0.947 121.457 120.400 0.184 0.000 2.480 249 K HA 0.666 4.986 4.320 0.000 0.000 0.258 249 K C -1.645 174.885 176.600 -0.117 0.000 0.990 249 K CA -0.883 55.357 56.287 -0.078 0.000 0.857 249 K CB 1.623 34.062 32.500 -0.102 0.000 1.384 249 K HN 0.301 nan 8.250 nan 0.000 0.446 250 F N 2.583 122.516 119.950 -0.027 0.000 2.472 250 F HA 0.195 4.722 4.527 0.000 0.000 0.364 250 F C 1.680 177.444 175.800 -0.059 0.000 1.090 250 F CA -0.126 57.850 58.000 -0.040 0.000 1.188 250 F CB 0.998 39.971 39.000 -0.047 0.000 1.105 250 F HN 0.666 nan 8.300 nan 0.000 0.536 251 K N 1.256 121.738 120.400 0.138 0.000 2.071 251 K HA -0.247 4.073 4.320 0.000 0.000 0.217 251 K C 0.815 177.404 176.600 -0.017 0.000 1.054 251 K CA 2.171 58.480 56.287 0.038 0.000 0.937 251 K CB -0.033 32.490 32.500 0.037 0.000 0.719 251 K HN 0.604 nan 8.250 nan 0.000 0.454 252 D N -0.781 119.632 120.400 0.021 0.000 2.328 252 D HA 0.141 4.781 4.640 0.000 0.000 0.221 252 D C 0.319 176.595 176.300 -0.040 0.000 1.072 252 D CA 0.640 54.621 54.000 -0.033 0.000 0.850 252 D CB 0.588 41.371 40.800 -0.029 0.000 0.922 252 D HN 0.398 nan 8.370 nan 0.000 0.516 253 G N 1.253 110.061 108.800 0.013 0.000 2.705 253 G HA2 -0.240 3.720 3.960 0.000 0.000 0.686 253 G HA3 -0.240 3.720 3.960 0.000 0.000 0.686 253 G C 0.603 175.545 174.900 0.071 0.000 1.285 253 G CA -0.639 44.475 45.100 0.024 0.000 0.800 253 G HN -0.050 nan 8.290 nan 0.000 0.611 254 Q N 0.147 120.058 119.800 0.185 0.000 2.152 254 Q HA -0.135 4.205 4.340 0.000 0.000 0.206 254 Q C 2.896 179.017 176.000 0.202 0.000 0.985 254 Q CA 2.081 58.051 55.803 0.278 0.000 0.863 254 Q CB -0.336 28.649 28.738 0.411 0.000 0.904 254 Q HN 0.636 nan 8.270 nan 0.000 0.422 255 S N 0.529 116.306 115.700 0.128 0.000 2.423 255 S HA -0.063 4.407 4.470 0.000 0.000 0.231 255 S C 1.919 176.527 174.600 0.013 0.000 1.014 255 S CA 0.756 59.004 58.200 0.079 0.000 0.965 255 S CB -0.075 63.169 63.200 0.074 0.000 0.785 255 S HN 0.494 nan 8.310 nan 0.000 0.495 256 A N 0.711 123.517 122.820 -0.023 0.000 1.969 256 A HA -0.043 4.277 4.320 0.000 0.000 0.218 256 A C 1.817 179.366 177.584 -0.059 0.000 1.169 256 A CA 1.107 53.106 52.037 -0.063 0.000 0.635 256 A CB -0.650 18.297 19.000 -0.088 0.000 0.810 256 A HN 0.505 nan 8.150 nan 0.000 0.445 257 F N 1.035 120.804 119.950 -0.303 0.000 2.084 257 F HA 0.034 4.561 4.527 -0.000 0.000 0.296 257 F C 2.541 178.443 175.800 0.169 0.000 1.111 257 F CA 0.864 58.704 58.000 -0.267 0.000 1.224 257 F CB -0.840 37.786 39.000 -0.623 0.000 0.991 257 F HN 0.238 nan 8.300 nan 0.000 0.471 258 A N 0.961 123.893 122.820 0.187 0.000 1.948 258 A HA -0.220 4.100 4.320 0.000 0.000 0.220 258 A C 2.321 179.949 177.584 0.073 0.000 1.177 258 A CA 1.653 53.728 52.037 0.065 0.000 0.636 258 A CB -0.677 18.222 19.000 -0.168 0.000 0.815 258 A HN 0.348 nan 8.150 nan 0.000 0.449 259 R N -0.661 119.841 120.500 0.003 0.000 2.120 259 R HA -0.048 4.292 4.340 0.000 0.000 0.234 259 R C 2.098 178.386 176.300 -0.020 0.000 1.123 259 R CA 0.913 57.019 56.100 0.010 0.000 0.975 259 R CB -0.532 29.742 30.300 -0.044 0.000 0.866 259 R HN 0.464 nan 8.270 nan 0.000 0.446 260 R N -0.105 120.274 120.500 -0.200 0.000 2.092 260 R HA -0.041 4.299 4.340 0.000 0.000 0.231 260 R C 2.271 178.199 176.300 -0.620 0.000 1.119 260 R CA 1.045 56.794 56.100 -0.586 0.000 0.970 260 R CB -0.785 28.863 30.300 -1.087 0.000 0.864 260 R HN 0.251 nan 8.270 nan 0.000 0.440 261 F N -0.475 119.274 119.950 -0.335 0.000 2.171 261 F HA -0.210 4.317 4.527 0.000 0.000 0.300 261 F C 2.487 178.307 175.800 0.035 0.000 1.090 261 F CA 0.962 58.957 58.000 -0.008 0.000 1.293 261 F CB -0.377 38.647 39.000 0.039 0.000 1.013 261 F HN 0.186 nan 8.300 nan 0.000 0.486 262 W N 1.591 122.921 121.300 0.050 0.000 2.408 262 W HA -0.140 4.520 4.660 0.000 0.000 0.311 262 W C 1.962 178.460 176.519 -0.034 0.000 1.190 262 W CA 1.336 58.674 57.345 -0.012 0.000 1.321 262 W CB -0.219 29.198 29.460 -0.072 0.000 1.143 262 W HN -0.050 nan 8.180 nan 0.000 0.501 263 E N 0.648 120.876 120.200 0.048 0.000 2.085 263 E HA -0.286 4.064 4.350 0.000 0.000 0.194 263 E C 1.788 178.324 176.600 -0.107 0.000 0.994 263 E CA 1.874 58.242 56.400 -0.054 0.000 0.801 263 E CB -0.721 28.969 29.700 -0.017 0.000 0.743 263 E HN 0.558 nan 8.360 nan 0.000 0.453 264 E N 0.505 120.661 120.200 -0.074 0.000 2.077 264 E HA -0.141 4.209 4.350 0.000 0.000 0.193 264 E C 1.990 178.553 176.600 -0.062 0.000 0.989 264 E CA 1.078 57.463 56.400 -0.025 0.000 0.800 264 E CB -0.021 29.724 29.700 0.075 0.000 0.746 264 E HN 0.185 nan 8.360 nan 0.000 0.452 265 A N 1.084 123.835 122.820 -0.114 0.000 1.898 265 A HA -0.032 4.288 4.320 0.000 0.000 0.216 265 A C 2.394 179.830 177.584 -0.247 0.000 1.181 265 A CA 1.598 53.537 52.037 -0.164 0.000 0.620 265 A CB -0.742 18.140 19.000 -0.197 0.000 0.819 265 A HN 0.415 nan 8.150 nan 0.000 0.442 266 A N -0.341 122.236 122.820 -0.405 0.000 1.902 266 A HA 0.090 4.410 4.320 0.000 0.000 0.217 266 A C 2.375 179.880 177.584 -0.132 0.000 1.181 266 A CA 1.874 53.718 52.037 -0.321 0.000 0.623 266 A CB -1.396 17.370 19.000 -0.391 0.000 0.818 266 A HN 0.792 nan 8.150 nan 0.000 0.443 267 G N -0.625 108.113 108.800 -0.105 0.000 2.498 267 G HA2 -0.160 3.800 3.960 0.000 0.000 0.219 267 G HA3 -0.160 3.800 3.960 0.000 0.000 0.219 267 G C 1.577 176.458 174.900 -0.032 0.000 1.119 267 G CA 1.846 46.917 45.100 -0.049 0.000 0.766 267 G HN 0.721 nan 8.290 nan 0.000 0.552 268 T N -2.723 111.810 114.554 -0.036 0.000 3.055 268 T HA 0.298 4.648 4.350 0.000 0.000 0.265 268 T C 2.119 176.815 174.700 -0.007 0.000 1.111 268 T CA 1.016 63.106 62.100 -0.016 0.000 1.118 268 T CB -0.150 68.713 68.868 -0.007 0.000 0.909 268 T HN 1.283 nan 8.240 nan 0.000 0.501 269 G N 1.699 110.495 108.800 -0.006 0.000 2.184 269 G HA2 -0.318 3.642 3.960 0.000 0.000 0.264 269 G HA3 -0.318 3.642 3.960 0.000 0.000 0.264 269 G C 0.903 175.823 174.900 0.033 0.000 0.975 269 G CA 0.367 45.474 45.100 0.011 0.000 0.642 269 G HN 0.582 nan 8.290 nan 0.000 0.536 270 R N -1.042 119.481 120.500 0.038 0.000 2.393 270 R HA 0.370 4.710 4.340 0.000 0.000 0.244 270 R C 0.424 176.800 176.300 0.127 0.000 0.920 270 R CA -0.333 55.818 56.100 0.084 0.000 1.076 270 R CB 0.342 30.688 30.300 0.077 0.000 1.119 270 R HN 0.310 nan 8.270 nan 0.000 0.524 271 L N 1.034 122.303 121.223 0.076 0.000 2.260 271 L HA 0.435 4.775 4.340 0.000 0.000 0.289 271 L C -0.004 176.945 176.870 0.131 0.000 1.057 271 L CA -0.226 54.647 54.840 0.055 0.000 0.811 271 L CB 1.131 43.135 42.059 -0.092 0.000 1.184 271 L HN 0.004 nan 8.230 nan 0.000 0.429 272 G N 4.517 113.373 108.800 0.094 0.000 2.389 272 G HA2 0.534 4.494 3.960 0.000 0.000 0.317 272 G HA3 0.534 4.494 3.960 0.000 0.000 0.317 272 G C -1.702 173.132 174.900 -0.110 0.000 1.137 272 G CA -0.303 44.767 45.100 -0.049 0.000 0.870 272 G HN 0.724 nan 8.290 nan 0.000 0.496 273 Y N -1.023 119.217 120.300 -0.100 0.000 2.552 273 Y HA 0.673 5.223 4.550 0.000 0.000 0.337 273 Y C -1.300 174.553 175.900 -0.079 0.000 1.094 273 Y CA -1.709 56.331 58.100 -0.101 0.000 1.028 273 Y CB 1.540 40.125 38.460 0.208 0.000 1.321 273 Y HN 0.426 nan 8.280 nan 0.000 0.456 274 V N 4.496 124.368 119.914 -0.071 0.000 2.447 274 V HA 0.415 4.535 4.120 0.000 0.000 0.292 274 V C -0.746 175.262 176.094 -0.144 0.000 1.021 274 V CA -0.722 61.554 62.300 -0.039 0.000 0.850 274 V CB 0.774 32.512 31.823 -0.142 0.000 1.005 274 V HN 0.759 nan 8.190 nan 0.000 0.426 275 F N 1.606 121.589 119.950 0.054 0.000 2.380 275 F HA 0.652 5.179 4.527 -0.000 0.000 0.319 275 F C 1.474 177.239 175.800 -0.059 0.000 1.113 275 F CA 0.622 58.593 58.000 -0.049 0.000 1.056 275 F CB 1.075 40.025 39.000 -0.082 0.000 1.289 275 F HN 0.715 nan 8.300 nan 0.000 0.515 276 G N 0.257 109.116 108.800 0.098 0.000 2.295 276 G HA2 -0.284 3.676 3.960 0.000 0.000 0.287 276 G HA3 -0.284 3.676 3.960 0.000 0.000 0.287 276 G C -0.425 174.475 174.900 0.000 0.000 1.055 276 G CA 0.116 45.236 45.100 0.034 0.000 0.922 276 G HN 0.922 nan 8.290 nan 0.000 0.503 277 C N 1.737 120.992 119.300 -0.074 0.000 3.445 277 C HA 0.566 5.026 4.460 0.000 0.000 0.213 277 C C -1.826 173.087 174.990 -0.129 0.000 1.319 277 C CA -1.884 57.093 59.018 -0.068 0.000 1.402 277 C CB 0.217 27.900 27.740 -0.094 0.000 1.819 277 C HN 0.438 nan 8.230 nan 0.000 0.491 278 P HA 0.185 nan 4.420 nan 0.000 0.269 278 P C -0.294 176.985 177.300 -0.034 0.000 1.209 278 P CA 0.505 63.535 63.100 -0.118 0.000 0.776 278 P CB 0.962 32.699 31.700 0.061 0.000 0.876 279 V N 4.097 123.986 119.914 -0.042 0.000 2.612 279 V HA 0.357 4.477 4.120 0.000 0.000 0.301 279 V C 1.687 177.780 176.094 -0.002 0.000 1.046 279 V CA -0.241 62.048 62.300 -0.018 0.000 0.946 279 V CB 1.437 33.231 31.823 -0.049 0.000 1.003 279 V HN 0.661 nan 8.190 nan 0.000 0.459 280 R N 1.228 121.718 120.500 -0.016 0.000 2.435 280 R HA 0.397 4.737 4.340 0.000 0.000 0.221 280 R C 0.490 176.723 176.300 -0.111 0.000 0.885 280 R CA -0.105 55.972 56.100 -0.037 0.000 1.018 280 R CB 0.687 30.986 30.300 -0.002 0.000 1.259 280 R HN 0.500 nan 8.270 nan 0.000 0.597 281 S N 0.574 116.208 115.700 -0.110 0.000 2.575 281 S HA 0.559 5.029 4.470 0.000 0.000 0.278 281 S C -1.496 173.033 174.600 -0.119 0.000 1.139 281 S CA -0.529 57.592 58.200 -0.132 0.000 0.954 281 S CB 2.180 65.351 63.200 -0.048 0.000 1.054 281 S HN 0.082 nan 8.310 nan 0.000 0.483 282 V N 4.886 124.700 119.914 -0.166 0.000 2.447 282 V HA 0.548 4.668 4.120 0.000 0.000 0.292 282 V C -0.785 175.389 176.094 0.133 0.000 1.021 282 V CA -0.629 61.678 62.300 0.011 0.000 0.850 282 V CB 1.639 33.530 31.823 0.114 0.000 1.005 282 V HN 0.657 nan 8.190 nan 0.000 0.426 283 V N 4.375 124.358 119.914 0.114 0.000 2.407 283 V HA 0.370 4.490 4.120 0.000 0.000 0.291 283 V C 0.132 176.291 176.094 0.110 0.000 1.018 283 V CA -0.819 61.553 62.300 0.121 0.000 0.842 283 V CB 1.722 33.592 31.823 0.078 0.000 0.996 283 V HN 0.909 nan 8.190 nan 0.000 0.426 284 N N 3.951 122.720 118.700 0.116 0.000 2.475 284 N HA 0.296 5.036 4.740 0.000 0.000 0.267 284 N C -0.272 175.268 175.510 0.050 0.000 1.169 284 N CA -0.170 52.923 53.050 0.071 0.000 0.947 284 N CB 1.229 39.739 38.487 0.039 0.000 1.061 284 N HN 0.702 nan 8.380 nan 0.000 0.466 285 E N 1.077 121.303 120.200 0.043 0.000 2.303 285 E HA 0.329 4.679 4.350 0.000 0.000 0.254 285 E C -0.439 176.176 176.600 0.025 0.000 0.979 285 E CA -0.917 55.504 56.400 0.034 0.000 0.843 285 E CB 1.290 31.012 29.700 0.037 0.000 1.245 285 E HN 0.333 nan 8.360 nan 0.000 0.413 286 R N 1.794 122.306 120.500 0.021 0.000 2.404 286 R HA -0.012 4.328 4.340 0.000 0.000 0.315 286 R C -0.733 175.579 176.300 0.021 0.000 1.032 286 R CA 0.355 56.466 56.100 0.017 0.000 0.992 286 R CB -0.078 30.231 30.300 0.015 0.000 0.959 286 R HN 0.538 nan 8.270 nan 0.000 0.428 287 D N -0.682 119.730 120.400 0.019 0.000 2.978 287 D HA -0.216 4.424 4.640 0.000 0.000 0.205 287 D C -0.433 175.886 176.300 0.031 0.000 1.093 287 D CA 1.996 56.010 54.000 0.023 0.000 1.006 287 D CB -0.671 40.143 40.800 0.023 0.000 1.116 287 D HN 0.692 nan 8.370 nan 0.000 0.419 288 A N -1.002 121.838 122.820 0.034 0.000 2.588 288 A HA 0.902 5.222 4.320 0.000 0.000 0.290 288 A C -1.434 176.180 177.584 0.049 0.000 1.136 288 A CA 0.101 52.165 52.037 0.046 0.000 0.681 288 A CB 1.790 20.823 19.000 0.055 0.000 1.282 288 A HN 0.699 nan 8.150 nan 0.000 0.421 289 A N 0.098 122.955 122.820 0.062 0.000 2.449 289 A HA 0.813 5.133 4.320 0.000 0.000 0.302 289 A C -0.533 177.101 177.584 0.083 0.000 1.048 289 A CA -0.534 51.544 52.037 0.068 0.000 0.708 289 A CB 1.263 20.299 19.000 0.061 0.000 1.274 289 A HN 0.997 nan 8.150 nan 0.000 0.410 290 R N 1.762 122.312 120.500 0.082 0.000 2.387 290 R HA 0.631 4.971 4.340 0.000 0.000 0.314 290 R C -1.810 174.544 176.300 0.090 0.000 0.958 290 R CA -0.291 55.862 56.100 0.088 0.000 0.846 290 R CB 1.342 31.681 30.300 0.065 0.000 1.147 290 R HN 0.468 nan 8.270 nan 0.000 0.447 291 V N 4.210 124.199 119.914 0.125 0.000 2.357 291 V HA 0.315 4.435 4.120 0.000 0.000 0.284 291 V C -0.357 175.845 176.094 0.180 0.000 1.018 291 V CA -0.585 61.791 62.300 0.126 0.000 0.841 291 V CB 1.790 33.677 31.823 0.108 0.000 0.991 291 V HN 0.823 nan 8.190 nan 0.000 0.437 292 T N 4.673 119.286 114.554 0.098 0.000 2.758 292 T HA 0.665 5.015 4.350 0.000 0.000 0.285 292 T C 0.474 175.228 174.700 0.090 0.000 0.981 292 T CA -0.151 61.999 62.100 0.082 0.000 0.965 292 T CB 1.581 70.466 68.868 0.028 0.000 0.927 292 T HN 0.881 nan 8.240 nan 0.000 0.448 293 A N 3.226 126.130 122.820 0.139 0.000 2.346 293 A HA 0.321 4.641 4.320 0.000 0.000 0.255 293 A C 1.638 179.260 177.584 0.063 0.000 1.113 293 A CA -0.155 51.951 52.037 0.116 0.000 0.798 293 A CB 0.245 19.349 19.000 0.174 0.000 1.073 293 A HN 0.939 nan 8.150 nan 0.000 0.502 294 R N -0.483 120.052 120.500 0.059 0.000 2.066 294 R HA -0.136 4.204 4.340 0.000 0.000 0.232 294 R C 1.649 177.975 176.300 0.043 0.000 1.131 294 R CA 1.773 57.905 56.100 0.052 0.000 0.955 294 R CB -0.332 30.010 30.300 0.070 0.000 0.851 294 R HN 0.957 nan 8.270 nan 0.000 0.432 295 D N -1.525 118.903 120.400 0.047 0.000 2.218 295 D HA -0.084 4.556 4.640 0.000 0.000 0.204 295 D C 1.190 177.502 176.300 0.021 0.000 0.976 295 D CA 1.698 55.719 54.000 0.035 0.000 0.853 295 D CB -0.039 40.785 40.800 0.040 0.000 0.939 295 D HN 0.408 nan 8.370 nan 0.000 0.481 296 G N -0.411 108.400 108.800 0.019 0.000 2.367 296 G HA2 -0.234 3.726 3.960 0.000 0.000 0.181 296 G HA3 -0.234 3.726 3.960 0.000 0.000 0.181 296 G C 0.299 175.174 174.900 -0.042 0.000 1.000 296 G CA -0.066 45.031 45.100 -0.005 0.000 0.693 296 G HN 0.564 nan 8.290 nan 0.000 0.480 297 R N 1.540 122.009 120.500 -0.051 0.000 2.640 297 R HA 0.448 4.788 4.340 0.000 0.000 0.270 297 R C -0.199 175.895 176.300 -0.343 0.000 1.024 297 R CA 0.723 56.699 56.100 -0.207 0.000 1.085 297 R CB 0.186 30.388 30.300 -0.164 0.000 0.963 297 R HN 0.410 nan 8.270 nan 0.000 0.426 298 E N 3.054 122.911 120.200 -0.571 0.000 2.238 298 E HA 0.356 4.706 4.350 0.000 0.000 0.267 298 E C -1.348 174.861 176.600 -0.652 0.000 0.887 298 E CA -0.644 55.517 56.400 -0.399 0.000 0.769 298 E CB 1.650 31.247 29.700 -0.172 0.000 1.187 298 E HN 0.364 nan 8.360 nan 0.000 0.416 299 F N 0.773 120.745 119.950 0.035 0.000 2.561 299 F HA 0.401 4.928 4.527 0.000 0.000 0.313 299 F C -0.543 175.306 175.800 0.081 0.000 1.126 299 F CA -1.016 57.024 58.000 0.067 0.000 0.918 299 F CB 1.507 40.501 39.000 -0.011 0.000 1.199 299 F HN 0.100 nan 8.300 nan 0.000 0.444 300 V N 1.885 121.986 119.914 0.311 0.000 2.715 300 V HA 0.981 5.101 4.120 0.000 0.000 0.310 300 V C -0.352 175.909 176.094 0.278 0.000 1.054 300 V CA -0.856 61.578 62.300 0.224 0.000 0.928 300 V CB 1.472 33.381 31.823 0.144 0.000 1.007 300 V HN 1.003 nan 8.190 nan 0.000 0.437 301 A N 2.631 125.566 122.820 0.191 0.000 2.612 301 A HA 0.609 4.929 4.320 0.000 0.000 0.293 301 A C 0.377 178.029 177.584 0.113 0.000 1.075 301 A CA -0.669 51.482 52.037 0.191 0.000 0.680 301 A CB 1.566 20.673 19.000 0.179 0.000 1.279 301 A HN 0.641 nan 8.150 nan 0.000 0.411 302 K N 0.036 120.496 120.400 0.101 0.000 2.148 302 K HA -0.015 4.305 4.320 0.000 0.000 0.204 302 K C 0.093 176.712 176.600 0.032 0.000 1.050 302 K CA 1.010 57.335 56.287 0.063 0.000 0.942 302 K CB -0.017 32.522 32.500 0.065 0.000 0.724 302 K HN 0.509 nan 8.250 nan 0.000 0.446 303 R N 0.171 120.678 120.500 0.012 0.000 2.698 303 R HA 0.389 4.729 4.340 0.000 0.000 0.275 303 R C -1.084 175.197 176.300 -0.031 0.000 1.001 303 R CA -0.695 55.392 56.100 -0.022 0.000 0.896 303 R CB 2.073 32.336 30.300 -0.062 0.000 1.218 303 R HN -0.216 nan 8.270 nan 0.000 0.462 304 V N 2.340 122.226 119.914 -0.046 0.000 2.448 304 V HA 0.353 4.473 4.120 0.000 0.000 0.295 304 V C -0.163 175.867 176.094 -0.107 0.000 1.025 304 V CA -0.854 61.406 62.300 -0.065 0.000 0.859 304 V CB 2.153 33.951 31.823 -0.042 0.000 0.988 304 V HN 0.415 nan 8.190 nan 0.000 0.431 305 V N 4.482 124.336 119.914 -0.100 0.000 2.348 305 V HA 0.226 4.346 4.120 0.000 0.000 0.270 305 V C 0.159 176.199 176.094 -0.089 0.000 1.037 305 V CA -0.361 61.882 62.300 -0.094 0.000 0.872 305 V CB 1.220 33.005 31.823 -0.064 0.000 1.002 305 V HN 0.999 nan 8.190 nan 0.000 0.464 306 C N 5.558 124.784 119.300 -0.124 0.000 2.223 306 C HA 0.495 4.955 4.460 0.000 0.000 0.324 306 C C 1.553 176.621 174.990 0.130 0.000 1.196 306 C CA 0.091 59.088 59.018 -0.035 0.000 1.628 306 C CB -0.131 27.532 27.740 -0.129 0.000 2.229 306 C HN 1.002 nan 8.230 nan 0.000 0.486 307 T N 3.334 117.949 114.554 0.102 0.000 3.214 307 T HA 0.315 4.665 4.350 0.000 0.000 0.264 307 T C 0.361 175.136 174.700 0.126 0.000 1.012 307 T CA -0.188 61.975 62.100 0.104 0.000 0.901 307 T CB -0.481 68.393 68.868 0.011 0.000 1.070 307 T HN 0.638 nan 8.240 nan 0.000 0.561 308 I N 3.033 123.734 120.570 0.219 0.000 2.618 308 I HA 0.218 4.388 4.170 0.000 0.000 0.284 308 I C -2.022 174.266 176.117 0.286 0.000 1.146 308 I CA -2.297 59.144 61.300 0.235 0.000 1.425 308 I CB 0.631 38.797 38.000 0.277 0.000 1.383 308 I HN 0.072 nan 8.210 nan 0.000 0.562 309 P HA -0.085 nan 4.420 nan 0.000 0.268 309 P C 0.565 178.081 177.300 0.359 0.000 1.208 309 P CA -0.245 62.988 63.100 0.222 0.000 0.777 309 P CB 0.536 32.376 31.700 0.233 0.000 0.875 310 L N 3.368 124.859 121.223 0.448 0.000 2.021 310 L HA -0.272 4.068 4.340 0.000 0.000 0.215 310 L C 1.506 178.593 176.870 0.363 0.000 1.074 310 L CA 2.238 57.402 54.840 0.540 0.000 0.760 310 L CB -1.227 41.205 42.059 0.621 0.000 0.889 310 L HN 0.282 nan 8.230 nan 0.000 0.433 311 N N -1.098 117.804 118.700 0.337 0.000 2.459 311 N HA -0.060 4.680 4.740 0.000 0.000 0.181 311 N C 1.500 177.114 175.510 0.172 0.000 1.046 311 N CA 1.215 54.383 53.050 0.196 0.000 0.904 311 N CB -0.019 38.524 38.487 0.092 0.000 0.964 311 N HN 0.351 nan 8.380 nan 0.000 0.444 312 V N 0.204 120.252 119.914 0.223 0.000 3.471 312 V HA 0.117 4.237 4.120 0.000 0.000 0.258 312 V C 2.033 178.258 176.094 0.219 0.000 1.192 312 V CA 0.236 62.663 62.300 0.212 0.000 1.116 312 V CB -0.031 31.945 31.823 0.255 0.000 0.792 312 V HN 0.245 nan 8.190 nan 0.000 0.459 313 L N 1.134 122.508 121.223 0.251 0.000 2.187 313 L HA -0.160 4.180 4.340 0.000 0.000 0.213 313 L C 2.597 179.613 176.870 0.244 0.000 1.100 313 L CA 1.899 56.913 54.840 0.289 0.000 0.765 313 L CB -0.389 41.833 42.059 0.272 0.000 0.904 313 L HN 0.602 nan 8.230 nan 0.000 0.437 314 S N -1.961 113.840 115.700 0.167 0.000 2.515 314 S HA -0.120 4.350 4.470 0.000 0.000 0.231 314 S C 1.748 176.412 174.600 0.106 0.000 0.987 314 S CA 0.991 59.268 58.200 0.127 0.000 0.936 314 S CB -0.689 62.563 63.200 0.088 0.000 0.766 314 S HN 0.566 nan 8.310 nan 0.000 0.528 315 T N -0.213 114.407 114.554 0.109 0.000 3.148 315 T HA 0.338 4.688 4.350 0.000 0.000 0.253 315 T C 0.530 175.254 174.700 0.040 0.000 1.134 315 T CA -0.249 61.898 62.100 0.077 0.000 1.051 315 T CB -0.514 68.410 68.868 0.093 0.000 0.959 315 T HN 0.302 nan 8.240 nan 0.000 0.525 316 I N 2.113 122.694 120.570 0.019 0.000 2.441 316 I HA 0.354 4.524 4.170 0.000 0.000 0.295 316 I C -0.074 175.896 176.117 -0.245 0.000 0.994 316 I CA -0.820 60.374 61.300 -0.176 0.000 1.144 316 I CB 1.715 39.498 38.000 -0.362 0.000 1.314 316 I HN 0.288 nan 8.210 nan 0.000 0.445 317 Q N 5.140 124.774 119.800 -0.277 0.000 2.274 317 Q HA 0.543 4.883 4.340 0.000 0.000 0.256 317 Q C -1.514 174.314 176.000 -0.286 0.000 0.927 317 Q CA -0.268 55.438 55.803 -0.162 0.000 0.939 317 Q CB 1.539 30.240 28.738 -0.061 0.000 1.201 317 Q HN 0.327 nan 8.270 nan 0.000 0.426 318 F N 0.453 120.459 119.950 0.093 0.000 2.532 318 F HA 0.438 4.965 4.527 0.000 0.000 0.321 318 F C 0.141 176.026 175.800 0.140 0.000 1.089 318 F CA -0.688 57.392 58.000 0.133 0.000 0.926 318 F CB 2.440 41.523 39.000 0.139 0.000 1.168 318 F HN 0.342 nan 8.300 nan 0.000 0.459 319 S N 3.981 119.900 115.700 0.364 0.000 2.736 319 S HA 0.501 4.971 4.470 0.000 0.000 0.285 319 S C -2.743 171.988 174.600 0.218 0.000 1.163 319 S CA -1.368 56.981 58.200 0.248 0.000 1.025 319 S CB 1.532 64.821 63.200 0.149 0.000 1.030 319 S HN 0.223 nan 8.310 nan 0.000 0.486 320 P HA 0.234 nan 4.420 nan 0.000 0.271 320 P C -0.528 176.963 177.300 0.319 0.000 1.233 320 P CA -0.339 62.864 63.100 0.172 0.000 0.789 320 P CB 0.348 32.087 31.700 0.064 0.000 0.951 321 A N 1.872 124.829 122.820 0.227 0.000 2.366 321 A HA 0.341 4.661 4.320 0.000 0.000 0.249 321 A C 0.620 178.311 177.584 0.178 0.000 1.084 321 A CA -0.393 51.765 52.037 0.202 0.000 0.794 321 A CB -0.531 18.545 19.000 0.126 0.000 1.034 321 A HN 0.495 nan 8.150 nan 0.000 0.491 322 L N 0.833 122.064 121.223 0.013 0.000 2.479 322 L HA 0.343 4.683 4.340 0.000 0.000 0.248 322 L C 1.275 178.098 176.870 -0.079 0.000 1.205 322 L CA -0.315 54.425 54.840 -0.168 0.000 0.817 322 L CB 0.404 42.213 42.059 -0.416 0.000 1.162 322 L HN 0.890 nan 8.230 nan 0.000 0.486 323 S N -1.658 113.965 115.700 -0.127 0.000 2.645 323 S HA 0.153 4.623 4.470 0.000 0.000 0.266 323 S C 0.947 175.497 174.600 -0.083 0.000 1.258 323 S CA -0.371 57.783 58.200 -0.077 0.000 0.990 323 S CB 1.343 64.493 63.200 -0.084 0.000 0.967 323 S HN 0.605 nan 8.310 nan 0.000 0.556 324 T N 1.806 116.329 114.554 -0.052 0.000 2.635 324 T HA -0.148 4.202 4.350 0.000 0.000 0.267 324 T C 1.520 176.185 174.700 -0.058 0.000 1.040 324 T CA 2.287 64.361 62.100 -0.043 0.000 1.156 324 T CB -0.683 68.170 68.868 -0.026 0.000 0.863 324 T HN 0.784 nan 8.240 nan 0.000 0.430 325 E N 0.485 120.644 120.200 -0.070 0.000 2.106 325 E HA -0.019 4.331 4.350 0.000 0.000 0.192 325 E C 2.333 178.863 176.600 -0.116 0.000 0.984 325 E CA 0.733 57.089 56.400 -0.073 0.000 0.806 325 E CB -0.149 29.509 29.700 -0.069 0.000 0.750 325 E HN 0.317 nan 8.360 nan 0.000 0.458 326 R N 0.307 120.696 120.500 -0.185 0.000 2.066 326 R HA -0.068 4.272 4.340 0.000 0.000 0.232 326 R C 2.247 178.436 176.300 -0.186 0.000 1.131 326 R CA 1.218 57.153 56.100 -0.275 0.000 0.955 326 R CB -0.267 29.760 30.300 -0.455 0.000 0.851 326 R HN 0.170 nan 8.270 nan 0.000 0.432 327 I N 0.279 120.767 120.570 -0.136 0.000 2.127 327 I HA -0.328 3.842 4.170 0.000 0.000 0.241 327 I C 2.258 178.353 176.117 -0.037 0.000 1.075 327 I CA 1.534 62.792 61.300 -0.071 0.000 1.334 327 I CB -0.337 37.637 38.000 -0.043 0.000 1.040 327 I HN 0.176 nan 8.210 nan 0.000 0.405 328 S N 0.894 116.575 115.700 -0.033 0.000 2.365 328 S HA -0.254 4.216 4.470 0.000 0.000 0.225 328 S C 2.247 176.852 174.600 0.008 0.000 1.039 328 S CA 1.476 59.671 58.200 -0.008 0.000 1.033 328 S CB -0.581 62.615 63.200 -0.006 0.000 0.887 328 S HN 0.573 nan 8.310 nan 0.000 0.447 329 A N 2.628 125.449 122.820 0.000 0.000 1.865 329 A HA -0.159 4.161 4.320 0.000 0.000 0.217 329 A C 2.278 179.902 177.584 0.065 0.000 1.191 329 A CA 2.059 54.120 52.037 0.041 0.000 0.623 329 A CB -0.829 18.181 19.000 0.017 0.000 0.826 329 A HN 0.670 nan 8.150 nan 0.000 0.444 330 M N -1.120 118.500 119.600 0.033 0.000 2.394 330 M HA -0.061 4.419 4.480 0.000 0.000 0.264 330 M C 2.127 178.461 176.300 0.057 0.000 1.073 330 M CA 1.976 57.316 55.300 0.066 0.000 1.111 330 M CB -0.554 32.078 32.600 0.053 0.000 1.401 330 M HN 0.565 nan 8.290 nan 0.000 0.448 331 Q N 1.550 121.371 119.800 0.035 0.000 2.046 331 Q HA -0.098 4.242 4.340 0.000 0.000 0.200 331 Q C 2.229 178.245 176.000 0.027 0.000 0.975 331 Q CA 1.776 57.595 55.803 0.028 0.000 0.836 331 Q CB -0.137 28.611 28.738 0.018 0.000 0.896 331 Q HN 0.613 nan 8.270 nan 0.000 0.428 332 A N 0.535 123.375 122.820 0.035 0.000 1.902 332 A HA 0.188 4.508 4.320 0.000 0.000 0.217 332 A C 1.224 178.825 177.584 0.028 0.000 1.181 332 A CA 1.331 53.387 52.037 0.032 0.000 0.623 332 A CB -1.280 17.747 19.000 0.045 0.000 0.818 332 A HN 0.695 nan 8.150 nan 0.000 0.443 333 G N -0.908 107.928 108.800 0.059 0.000 2.785 333 G HA2 -0.136 3.824 3.960 0.000 0.000 0.685 333 G HA3 -0.136 3.824 3.960 0.000 0.000 0.685 333 G C -0.093 174.840 174.900 0.055 0.000 1.480 333 G CA -0.031 45.097 45.100 0.047 0.000 0.915 333 G HN 1.500 nan 8.290 nan 0.000 0.576 334 H N -0.622 118.478 119.070 0.050 0.000 2.544 334 H HA 0.533 5.089 4.556 0.000 0.000 0.365 334 H C 1.588 176.854 175.328 -0.104 0.000 1.268 334 H CA 0.033 56.023 56.048 -0.096 0.000 1.400 334 H CB 1.343 30.972 29.762 -0.222 0.000 1.538 334 H HN 1.234 nan 8.280 nan 0.000 0.597 335 V N -1.192 118.734 119.914 0.020 0.000 3.660 335 V HA 0.103 4.223 4.120 0.000 0.000 0.276 335 V C 0.988 177.038 176.094 -0.074 0.000 1.317 335 V CA 0.268 62.532 62.300 -0.059 0.000 1.097 335 V CB -0.113 31.680 31.823 -0.050 0.000 0.863 335 V HN 0.629 nan 8.190 nan 0.000 0.438 336 S N 2.127 117.861 115.700 0.055 0.000 2.443 336 S HA 0.380 4.850 4.470 0.000 0.000 0.284 336 S C 0.320 174.787 174.600 -0.222 0.000 1.206 336 S CA -0.235 57.842 58.200 -0.204 0.000 1.074 336 S CB 0.141 62.984 63.200 -0.596 0.000 0.963 336 S HN 0.435 nan 8.310 nan 0.000 0.501 337 M N 4.945 124.419 119.600 -0.211 0.000 2.963 337 M HA 0.209 4.689 4.480 0.000 0.000 0.350 337 M C 0.102 176.403 176.300 0.001 0.000 1.253 337 M CA -0.556 54.654 55.300 -0.150 0.000 0.856 337 M CB -0.647 31.780 32.600 -0.289 0.000 1.356 337 M HN 0.698 nan 8.290 nan 0.000 0.510 338 C N 2.040 121.290 119.300 -0.082 0.000 2.648 338 C HA 0.361 4.821 4.460 0.000 0.000 0.419 338 C C 0.783 175.938 174.990 0.275 0.000 1.352 338 C CA 0.664 59.725 59.018 0.071 0.000 1.816 338 C CB -0.194 27.476 27.740 -0.118 0.000 2.598 338 C HN 0.613 nan 8.230 nan 0.000 0.598 339 T N 6.313 121.040 114.554 0.288 0.000 2.749 339 T HA 0.313 4.663 4.350 0.000 0.000 0.287 339 T C -0.457 174.387 174.700 0.240 0.000 0.970 339 T CA -0.161 62.075 62.100 0.227 0.000 0.980 339 T CB 0.673 69.562 68.868 0.035 0.000 0.924 339 T HN 0.777 nan 8.240 nan 0.000 0.456 340 K N 3.325 123.876 120.400 0.251 0.000 2.307 340 K HA 0.639 4.959 4.320 0.000 0.000 0.263 340 K C -1.463 175.157 176.600 0.033 0.000 0.973 340 K CA -0.588 55.735 56.287 0.061 0.000 0.846 340 K CB 0.922 33.539 32.500 0.195 0.000 1.100 340 K HN 0.341 nan 8.250 nan 0.000 0.438 341 V N 4.376 124.215 119.914 -0.125 0.000 2.588 341 V HA 0.287 4.407 4.120 0.000 0.000 0.304 341 V C -1.071 174.977 176.094 -0.077 0.000 1.042 341 V CA -0.948 61.357 62.300 0.008 0.000 0.877 341 V CB 1.616 33.412 31.823 -0.044 0.000 0.996 341 V HN 0.822 nan 8.190 nan 0.000 0.425 342 H N 2.327 121.526 119.070 0.215 0.000 2.467 342 H HA 0.804 5.360 4.556 0.000 0.000 0.331 342 H C 0.141 175.620 175.328 0.252 0.000 1.120 342 H CA 0.083 56.315 56.048 0.306 0.000 1.270 342 H CB 1.632 31.662 29.762 0.445 0.000 1.466 342 H HN 0.880 nan 8.280 nan 0.000 0.504 343 A N 2.585 125.622 122.820 0.363 0.000 2.359 343 A HA 0.332 4.652 4.320 0.000 0.000 0.303 343 A C -0.569 177.179 177.584 0.272 0.000 1.066 343 A CA -0.759 51.433 52.037 0.258 0.000 0.730 343 A CB 0.891 19.979 19.000 0.147 0.000 1.211 343 A HN 0.786 nan 8.150 nan 0.000 0.439 344 E N 1.911 122.256 120.200 0.242 0.000 2.167 344 E HA 0.492 4.842 4.350 0.000 0.000 0.284 344 E C -0.531 176.140 176.600 0.117 0.000 1.016 344 E CA -0.398 56.106 56.400 0.173 0.000 0.817 344 E CB 0.989 30.786 29.700 0.161 0.000 1.080 344 E HN 0.732 nan 8.360 nan 0.000 0.397 345 V N 1.708 121.650 119.914 0.046 0.000 3.001 345 V HA 0.377 4.497 4.120 0.000 0.000 0.314 345 V C 0.127 176.249 176.094 0.047 0.000 1.099 345 V CA -0.696 61.630 62.300 0.043 0.000 0.989 345 V CB 1.910 33.623 31.823 -0.184 0.000 1.040 345 V HN 0.733 nan 8.190 nan 0.000 0.434 346 D N 0.691 121.156 120.400 0.109 0.000 2.349 346 D HA 0.011 4.651 4.640 0.000 0.000 0.224 346 D C 0.426 176.769 176.300 0.072 0.000 1.029 346 D CA 0.293 54.344 54.000 0.085 0.000 0.879 346 D CB -0.371 40.486 40.800 0.096 0.000 0.906 346 D HN 0.536 nan 8.370 nan 0.000 0.528 347 N N 1.400 120.139 118.700 0.065 0.000 2.500 347 N HA 0.070 4.810 4.740 0.000 0.000 0.236 347 N C 0.540 176.058 175.510 0.013 0.000 1.022 347 N CA -0.201 52.876 53.050 0.045 0.000 0.935 347 N CB 0.859 39.387 38.487 0.069 0.000 1.147 347 N HN 0.001 nan 8.380 nan 0.000 0.512 348 K N 1.424 121.840 120.400 0.027 0.000 2.209 348 K HA -0.089 4.231 4.320 0.000 0.000 0.204 348 K C 0.124 176.749 176.600 0.041 0.000 1.048 348 K CA 1.018 57.323 56.287 0.031 0.000 0.940 348 K CB 0.348 32.869 32.500 0.035 0.000 0.729 348 K HN 0.486 nan 8.250 nan 0.000 0.451 349 D N 0.349 120.773 120.400 0.039 0.000 2.349 349 D HA -0.010 4.630 4.640 0.000 0.000 0.224 349 D C 1.218 177.557 176.300 0.066 0.000 1.029 349 D CA 0.729 54.758 54.000 0.049 0.000 0.879 349 D CB 0.164 40.984 40.800 0.034 0.000 0.906 349 D HN 0.224 nan 8.370 nan 0.000 0.528 350 M N -0.087 119.544 119.600 0.050 0.000 2.563 350 M HA 0.070 4.550 4.480 0.000 0.000 0.231 350 M C 1.733 178.141 176.300 0.179 0.000 1.136 350 M CA -0.089 55.267 55.300 0.092 0.000 1.026 350 M CB 0.410 32.947 32.600 -0.105 0.000 1.597 350 M HN -0.204 nan 8.290 nan 0.000 0.495 351 R N 1.709 122.297 120.500 0.146 0.000 2.103 351 R HA -0.128 4.212 4.340 0.000 0.000 0.242 351 R C 1.549 178.014 176.300 0.275 0.000 1.142 351 R CA 2.239 58.442 56.100 0.172 0.000 0.960 351 R CB -0.518 29.865 30.300 0.139 0.000 0.858 351 R HN 0.353 nan 8.270 nan 0.000 0.439 352 S N -1.841 114.057 115.700 0.330 0.000 2.573 352 S HA 0.147 4.617 4.470 0.000 0.000 0.244 352 S C -0.310 174.617 174.600 0.545 0.000 0.984 352 S CA -0.914 57.586 58.200 0.500 0.000 1.001 352 S CB -0.465 63.011 63.200 0.459 0.000 0.788 352 S HN 0.409 nan 8.310 nan 0.000 0.456 353 W N 3.142 124.611 121.300 0.282 0.000 2.449 353 W HA 0.608 5.268 4.660 0.000 0.000 0.331 353 W C -0.461 176.286 176.519 0.380 0.000 1.119 353 W CA -0.167 57.345 57.345 0.278 0.000 1.240 353 W CB 1.414 30.968 29.460 0.156 0.000 1.251 353 W HN 0.204 nan 8.180 nan 0.000 0.576 354 T N 2.607 116.888 114.554 -0.455 0.000 2.909 354 T HA 0.818 5.168 4.350 0.000 0.000 0.299 354 T C -0.540 173.296 174.700 -1.440 0.000 1.073 354 T CA -0.731 60.960 62.100 -0.682 0.000 0.999 354 T CB 1.482 70.375 68.868 0.041 0.000 1.098 354 T HN 0.874 nan 8.240 nan 0.000 0.477 355 G N 0.699 108.707 108.800 -1.322 0.000 2.659 355 G HA2 0.706 4.666 3.960 0.000 0.000 0.296 355 G HA3 0.706 4.666 3.960 0.000 0.000 0.296 355 G C -1.615 173.126 174.900 -0.265 0.000 1.369 355 G CA -0.930 43.702 45.100 -0.781 0.000 0.937 355 G HN 0.901 nan 8.290 nan 0.000 0.485 356 I N 1.023 121.498 120.570 -0.159 0.000 2.447 356 I HA 0.553 4.723 4.170 0.000 0.000 0.287 356 I C -0.026 176.123 176.117 0.053 0.000 1.023 356 I CA -0.891 60.432 61.300 0.038 0.000 1.083 356 I CB 2.250 40.370 38.000 0.200 0.000 1.245 356 I HN 0.601 nan 8.210 nan 0.000 0.434 357 A N 6.818 129.685 122.820 0.079 0.000 2.323 357 A HA 0.694 5.014 4.320 0.000 0.000 0.305 357 A C -1.536 175.949 177.584 -0.165 0.000 1.275 357 A CA -0.353 51.650 52.037 -0.057 0.000 0.804 357 A CB 0.461 19.365 19.000 -0.159 0.000 1.152 357 A HN 0.641 nan 8.150 nan 0.000 0.487 358 Y N 4.624 124.804 120.300 -0.200 0.000 2.436 358 Y HA 0.573 5.123 4.550 0.000 0.000 0.327 358 Y C -2.578 173.364 175.900 0.069 0.000 1.138 358 Y CA -1.447 56.589 58.100 -0.107 0.000 1.042 358 Y CB 2.837 41.295 38.460 -0.004 0.000 1.302 358 Y HN 0.432 nan 8.280 nan 0.000 0.439 359 P HA 0.096 nan 4.420 nan 0.000 0.274 359 P C 0.492 177.551 177.300 -0.401 0.000 1.352 359 P CA 0.144 62.626 63.100 -1.029 0.000 0.947 359 P CB -0.293 30.758 31.700 -1.082 0.000 1.437 360 F N -1.190 118.643 119.950 -0.196 0.000 2.780 360 F HA 0.323 4.850 4.527 0.000 0.000 0.299 360 F C 0.288 176.056 175.800 -0.053 0.000 1.146 360 F CA -0.624 57.312 58.000 -0.107 0.000 1.428 360 F CB -0.934 38.018 39.000 -0.080 0.000 1.115 360 F HN -0.233 nan 8.300 nan 0.000 0.583 361 N N 0.773 119.034 118.700 -0.732 0.000 2.417 361 N HA 0.259 4.999 4.740 0.000 0.000 0.300 361 N C 0.339 175.736 175.510 -0.189 0.000 1.102 361 N CA -0.653 52.132 53.050 -0.441 0.000 0.886 361 N CB 1.501 39.618 38.487 -0.617 0.000 1.203 361 N HN 0.014 nan 8.380 nan 0.000 0.496 362 K N 0.792 121.130 120.400 -0.103 0.000 2.432 362 K HA 0.194 4.514 4.320 0.000 0.000 0.196 362 K C -0.263 176.314 176.600 -0.039 0.000 1.038 362 K CA 0.660 56.904 56.287 -0.072 0.000 0.986 362 K CB 0.096 32.539 32.500 -0.096 0.000 0.782 362 K HN 0.381 nan 8.250 nan 0.000 0.485 363 L N 0.427 121.638 121.223 -0.020 0.000 2.356 363 L HA 0.217 4.557 4.340 0.000 0.000 0.277 363 L C 0.667 177.588 176.870 0.084 0.000 0.996 363 L CA -0.864 54.013 54.840 0.062 0.000 0.822 363 L CB 1.708 43.810 42.059 0.072 0.000 1.256 363 L HN 0.151 nan 8.230 nan 0.000 0.413 364 C N 0.827 120.235 119.300 0.180 0.000 3.403 364 C HA 0.326 4.786 4.460 0.000 0.000 0.317 364 C C 0.051 175.222 174.990 0.302 0.000 1.346 364 C CA -0.515 58.620 59.018 0.196 0.000 1.743 364 C CB -0.602 27.291 27.740 0.254 0.000 2.308 364 C HN 0.680 nan 8.230 nan 0.000 0.675 365 Y N 1.362 121.802 120.300 0.234 0.000 2.396 365 Y HA 0.687 5.237 4.550 0.000 0.000 0.332 365 Y C -0.565 175.560 175.900 0.376 0.000 1.034 365 Y CA -0.198 58.062 58.100 0.266 0.000 1.057 365 Y CB 1.395 39.979 38.460 0.208 0.000 1.220 365 Y HN 0.471 nan 8.280 nan 0.000 0.440 366 A N 6.112 129.073 122.820 0.236 0.000 2.594 366 A HA 0.851 5.171 4.320 0.000 0.000 0.295 366 A C -1.794 175.925 177.584 0.225 0.000 1.071 366 A CA -0.535 51.734 52.037 0.387 0.000 0.685 366 A CB 1.247 20.563 19.000 0.528 0.000 1.285 366 A HN 0.970 nan 8.150 nan 0.000 0.405 367 I N -1.159 119.624 120.570 0.354 0.000 2.894 367 I HA 0.834 5.004 4.170 0.000 0.000 0.302 367 I C 0.229 176.523 176.117 0.295 0.000 1.188 367 I CA -0.987 60.489 61.300 0.293 0.000 1.014 367 I CB 2.280 40.418 38.000 0.229 0.000 1.242 367 I HN 0.804 nan 8.210 nan 0.000 0.430 368 G N 1.863 110.865 108.800 0.337 0.000 2.354 368 G HA2 0.225 4.185 3.960 0.000 0.000 0.266 368 G HA3 0.225 4.185 3.960 0.000 0.000 0.266 368 G C -0.276 174.668 174.900 0.074 0.000 1.242 368 G CA 0.066 45.286 45.100 0.201 0.000 0.923 368 G HN 0.919 nan 8.290 nan 0.000 0.476 369 D N 0.795 121.184 120.400 -0.018 0.000 2.449 369 D HA 0.345 4.985 4.640 0.000 0.000 0.210 369 D C 1.149 177.557 176.300 0.180 0.000 1.094 369 D CA 1.079 55.094 54.000 0.024 0.000 0.846 369 D CB 0.556 41.330 40.800 -0.043 0.000 1.003 369 D HN 0.780 nan 8.370 nan 0.000 0.504 370 G N -1.613 107.299 108.800 0.187 0.000 2.317 370 G HA2 0.342 4.303 3.960 0.000 0.000 0.293 370 G HA3 0.342 4.303 3.960 0.000 0.000 0.293 370 G C -1.349 173.622 174.900 0.119 0.000 1.287 370 G CA -0.599 44.644 45.100 0.240 0.000 0.850 370 G HN -0.078 nan 8.290 nan 0.000 0.515 371 T N 1.140 115.748 114.554 0.090 0.000 2.879 371 T HA 0.631 4.981 4.350 0.000 0.000 0.290 371 T C 0.481 175.127 174.700 -0.091 0.000 0.993 371 T CA 0.104 62.194 62.100 -0.017 0.000 0.975 371 T CB 1.273 70.166 68.868 0.041 0.000 0.981 371 T HN 1.119 nan 8.240 nan 0.000 0.439 372 T N 1.544 115.945 114.554 -0.254 0.000 2.856 372 T HA 0.203 4.553 4.350 0.000 0.000 0.306 372 T C -1.614 173.083 174.700 -0.006 0.000 1.062 372 T CA -1.320 60.657 62.100 -0.206 0.000 1.083 372 T CB 0.215 68.955 68.868 -0.213 0.000 0.984 372 T HN 0.137 nan 8.240 nan 0.000 0.542 373 P HA -0.092 nan 4.420 nan 0.000 0.217 373 P C 1.513 178.831 177.300 0.029 0.000 1.151 373 P CA 1.495 64.624 63.100 0.049 0.000 0.849 373 P CB -0.335 31.398 31.700 0.056 0.000 0.787 374 A N -1.146 121.685 122.820 0.019 0.000 2.216 374 A HA 0.258 4.578 4.320 0.000 0.000 0.214 374 A C 1.719 179.310 177.584 0.012 0.000 1.160 374 A CA 1.183 53.230 52.037 0.015 0.000 0.725 374 A CB -1.396 17.613 19.000 0.015 0.000 0.784 374 A HN 0.282 nan 8.150 nan 0.000 0.472 375 G N -0.954 107.851 108.800 0.008 0.000 2.132 375 G HA2 -0.219 3.741 3.960 0.000 0.000 0.234 375 G HA3 -0.219 3.741 3.960 0.000 0.000 0.234 375 G C -0.234 174.670 174.900 0.007 0.000 0.989 375 G CA 0.086 45.193 45.100 0.012 0.000 0.676 375 G HN 0.538 nan 8.290 nan 0.000 0.522 376 N N 0.467 119.162 118.700 -0.007 0.000 2.492 376 N HA 0.472 5.212 4.740 0.000 0.000 0.289 376 N C 0.057 175.552 175.510 -0.025 0.000 1.133 376 N CA -0.032 53.014 53.050 -0.006 0.000 0.961 376 N CB 0.993 39.481 38.487 0.003 0.000 1.186 376 N HN 0.086 nan 8.380 nan 0.000 0.493 377 T N 0.758 115.305 114.554 -0.011 0.000 2.851 377 T HA 0.016 4.366 4.350 0.000 0.000 0.298 377 T C 0.155 174.860 174.700 0.008 0.000 0.977 377 T CA -0.069 62.025 62.100 -0.009 0.000 1.126 377 T CB 0.039 68.898 68.868 -0.014 0.000 0.916 377 T HN 0.344 nan 8.240 nan 0.000 0.529 378 H N 4.542 123.552 119.070 -0.100 0.000 2.517 378 H HA 0.448 5.004 4.556 0.000 0.000 0.317 378 H C -0.993 174.364 175.328 0.049 0.000 1.080 378 H CA -0.834 55.177 56.048 -0.062 0.000 1.301 378 H CB 0.510 30.128 29.762 -0.239 0.000 1.425 378 H HN 0.417 nan 8.280 nan 0.000 0.471 379 L N 6.013 127.141 121.223 -0.158 0.000 2.317 379 L HA 0.334 4.674 4.340 0.000 0.000 0.281 379 L C -0.285 176.449 176.870 -0.226 0.000 1.024 379 L CA -1.016 53.715 54.840 -0.183 0.000 0.810 379 L CB 2.028 44.011 42.059 -0.127 0.000 1.240 379 L HN 0.378 nan 8.230 nan 0.000 0.427 380 V N 3.060 122.860 119.914 -0.190 0.000 2.459 380 V HA 0.564 4.684 4.120 0.000 0.000 0.295 380 V C -0.550 175.500 176.094 -0.072 0.000 1.029 380 V CA -0.265 61.918 62.300 -0.195 0.000 0.874 380 V CB 1.438 33.153 31.823 -0.179 0.000 0.985 380 V HN 0.943 nan 8.190 nan 0.000 0.438 381 C N 6.122 125.299 119.300 -0.206 0.000 2.634 381 C HA 0.766 5.226 4.460 0.000 0.000 0.313 381 C C -0.660 174.211 174.990 -0.199 0.000 1.198 381 C CA -1.051 57.963 59.018 -0.008 0.000 1.605 381 C CB 0.950 28.745 27.740 0.092 0.000 2.196 381 C HN 0.780 nan 8.230 nan 0.000 0.486 382 F N 0.587 120.682 119.950 0.242 0.000 2.551 382 F HA 0.744 5.271 4.527 0.000 0.000 0.316 382 F C 0.656 176.569 175.800 0.190 0.000 1.089 382 F CA -0.189 57.951 58.000 0.233 0.000 0.915 382 F CB 2.113 41.279 39.000 0.276 0.000 1.186 382 F HN 0.870 nan 8.300 nan 0.000 0.456 383 G N 0.062 109.065 108.800 0.339 0.000 2.605 383 G HA2 0.679 4.639 3.960 0.000 0.000 0.296 383 G HA3 0.679 4.639 3.960 0.000 0.000 0.296 383 G C -1.180 173.862 174.900 0.235 0.000 1.304 383 G CA -0.715 44.519 45.100 0.223 0.000 0.941 383 G HN 0.723 nan 8.290 nan 0.000 0.475 384 T N -2.733 111.940 114.554 0.198 0.000 2.742 384 T HA 0.428 4.778 4.350 0.000 0.000 0.282 384 T C 0.076 174.893 174.700 0.195 0.000 1.025 384 T CA -0.323 61.879 62.100 0.171 0.000 1.020 384 T CB 1.981 70.917 68.868 0.114 0.000 1.317 384 T HN 0.194 nan 8.240 nan 0.000 0.538 385 D N -0.324 120.124 120.400 0.079 0.000 2.371 385 D HA 0.197 4.837 4.640 0.000 0.000 0.221 385 D C 2.076 178.406 176.300 0.049 0.000 0.986 385 D CA 0.965 54.974 54.000 0.015 0.000 0.899 385 D CB -0.393 40.345 40.800 -0.104 0.000 0.902 385 D HN 0.666 nan 8.370 nan 0.000 0.530 386 A N 0.182 123.046 122.820 0.074 0.000 1.908 386 A HA -0.135 4.185 4.320 0.000 0.000 0.218 386 A C 1.297 178.918 177.584 0.062 0.000 1.181 386 A CA 1.123 53.208 52.037 0.080 0.000 0.627 386 A CB -0.031 19.057 19.000 0.147 0.000 0.818 386 A HN 0.177 nan 8.150 nan 0.000 0.445 387 N N -0.898 117.849 118.700 0.077 0.000 2.675 387 N HA 0.227 4.967 4.740 0.000 0.000 0.254 387 N C -1.528 174.022 175.510 0.066 0.000 1.224 387 N CA -0.401 52.675 53.050 0.043 0.000 0.777 387 N CB 0.362 38.840 38.487 -0.015 0.000 1.256 387 N HN 0.412 nan 8.380 nan 0.000 0.531 388 H N 2.122 121.183 119.070 -0.015 0.000 2.525 388 H HA 0.607 5.163 4.556 0.000 0.000 0.339 388 H C -0.507 174.802 175.328 -0.033 0.000 1.109 388 H CA -0.011 56.026 56.048 -0.017 0.000 1.352 388 H CB 0.911 30.663 29.762 -0.018 0.000 1.461 388 H HN 0.492 nan 8.280 nan 0.000 0.533 389 I N 3.530 123.615 120.570 -0.808 0.000 2.569 389 I HA 0.198 4.368 4.170 0.000 0.000 0.290 389 I C -1.279 174.408 176.117 -0.716 0.000 1.088 389 I CA -0.877 60.078 61.300 -0.575 0.000 1.047 389 I CB 1.670 39.468 38.000 -0.337 0.000 1.237 389 I HN 0.542 nan 8.210 nan 0.000 0.421 390 Q N 8.880 128.442 119.800 -0.395 0.000 2.377 390 Q HA 0.380 4.720 4.340 0.000 0.000 0.249 390 Q C -1.896 173.913 176.000 -0.318 0.000 1.005 390 Q CA -2.175 53.481 55.803 -0.244 0.000 0.912 390 Q CB 1.152 29.831 28.738 -0.099 0.000 1.223 390 Q HN 0.343 nan 8.270 nan 0.000 0.459 391 P HA -0.110 nan 4.420 nan 0.000 0.230 391 P C -0.050 176.783 177.300 -0.779 0.000 1.158 391 P CA 0.824 63.460 63.100 -0.773 0.000 0.769 391 P CB 0.521 31.466 31.700 -1.258 0.000 0.807 392 D N -0.190 119.922 120.400 -0.479 0.000 2.301 392 D HA -0.090 4.550 4.640 0.000 0.000 0.206 392 D C 1.681 177.858 176.300 -0.205 0.000 0.979 392 D CA 0.578 54.397 54.000 -0.302 0.000 0.874 392 D CB -0.866 39.699 40.800 -0.392 0.000 0.968 392 D HN 0.127 nan 8.370 nan 0.000 0.510 393 E N -0.044 120.054 120.200 -0.170 0.000 2.110 393 E HA -0.096 4.254 4.350 0.000 0.000 0.193 393 E C -0.037 176.504 176.600 -0.099 0.000 0.988 393 E CA 1.160 57.496 56.400 -0.107 0.000 0.804 393 E CB 0.160 29.807 29.700 -0.088 0.000 0.745 393 E HN 0.161 nan 8.360 nan 0.000 0.458 394 D N -0.964 119.355 120.400 -0.135 0.000 2.375 394 D HA 0.053 4.693 4.640 0.000 0.000 0.241 394 D C 0.570 176.760 176.300 -0.182 0.000 1.361 394 D CA -0.194 53.730 54.000 -0.125 0.000 0.995 394 D CB 1.538 42.275 40.800 -0.105 0.000 1.312 394 D HN -0.221 nan 8.370 nan 0.000 0.576 395 V N 3.829 123.626 119.914 -0.195 0.000 2.469 395 V HA -0.226 3.894 4.120 0.000 0.000 0.251 395 V C 2.355 178.235 176.094 -0.356 0.000 1.064 395 V CA 1.395 63.498 62.300 -0.328 0.000 1.066 395 V CB -0.273 31.290 31.823 -0.433 0.000 0.667 395 V HN 0.368 nan 8.190 nan 0.000 0.461 396 R N -0.158 120.198 120.500 -0.241 0.000 2.115 396 R HA -0.016 4.324 4.340 0.000 0.000 0.226 396 R C 2.228 178.430 176.300 -0.164 0.000 1.100 396 R CA 0.737 56.720 56.100 -0.194 0.000 0.980 396 R CB -0.594 29.634 30.300 -0.120 0.000 0.875 396 R HN 0.451 nan 8.270 nan 0.000 0.445 397 E N -0.386 119.722 120.200 -0.154 0.000 2.077 397 E HA -0.114 4.236 4.350 0.000 0.000 0.193 397 E C 1.666 178.168 176.600 -0.163 0.000 0.989 397 E CA 1.701 58.017 56.400 -0.139 0.000 0.800 397 E CB -0.105 29.515 29.700 -0.133 0.000 0.746 397 E HN 0.284 nan 8.360 nan 0.000 0.452 398 T N 1.486 115.908 114.554 -0.221 0.000 2.777 398 T HA -0.056 4.294 4.350 0.000 0.000 0.266 398 T C 2.133 176.716 174.700 -0.195 0.000 1.040 398 T CA 0.713 62.665 62.100 -0.247 0.000 1.141 398 T CB -0.156 68.499 68.868 -0.355 0.000 0.868 398 T HN 0.083 nan 8.240 nan 0.000 0.444 399 L N 0.711 121.798 121.223 -0.226 0.000 2.141 399 L HA -0.003 4.337 4.340 0.000 0.000 0.209 399 L C 2.654 179.459 176.870 -0.108 0.000 1.094 399 L CA 1.056 55.791 54.840 -0.174 0.000 0.763 399 L CB -0.431 41.477 42.059 -0.252 0.000 0.908 399 L HN 0.198 nan 8.230 nan 0.000 0.437 400 K N 0.709 121.043 120.400 -0.109 0.000 2.009 400 K HA -0.242 4.078 4.320 0.000 0.000 0.210 400 K C 2.164 178.741 176.600 -0.039 0.000 1.049 400 K CA 1.669 57.914 56.287 -0.071 0.000 0.929 400 K CB -0.161 32.300 32.500 -0.065 0.000 0.714 400 K HN 0.259 nan 8.250 nan 0.000 0.440 401 A N 0.693 123.484 122.820 -0.048 0.000 1.908 401 A HA -0.121 4.199 4.320 0.000 0.000 0.218 401 A C 2.277 179.878 177.584 0.029 0.000 1.181 401 A CA 1.799 53.823 52.037 -0.022 0.000 0.627 401 A CB -0.704 18.260 19.000 -0.059 0.000 0.818 401 A HN 0.207 nan 8.150 nan 0.000 0.445 402 V N -0.034 119.903 119.914 0.037 0.000 2.261 402 V HA -0.206 3.914 4.120 0.000 0.000 0.246 402 V C 2.867 179.085 176.094 0.207 0.000 1.047 402 V CA 2.081 64.465 62.300 0.141 0.000 1.015 402 V CB -1.613 30.306 31.823 0.160 0.000 0.642 402 V HN 0.607 nan 8.190 nan 0.000 0.446 403 G N -1.201 107.625 108.800 0.043 0.000 2.440 403 G HA2 -0.288 3.672 3.960 0.000 0.000 0.218 403 G HA3 -0.288 3.672 3.960 0.000 0.000 0.218 403 G C 1.450 176.310 174.900 -0.068 0.000 1.154 403 G CA 0.701 45.699 45.100 -0.170 0.000 0.767 403 G HN 0.563 nan 8.290 nan 0.000 0.552 404 Q N -0.438 119.381 119.800 0.032 0.000 2.488 404 Q HA 0.179 4.519 4.340 0.000 0.000 0.211 404 Q C 2.359 178.468 176.000 0.181 0.000 0.967 404 Q CA 0.060 55.929 55.803 0.110 0.000 0.926 404 Q CB -0.038 28.799 28.738 0.166 0.000 0.992 404 Q HN 0.471 nan 8.270 nan 0.000 0.506 405 L N -0.707 120.636 121.223 0.200 0.000 2.240 405 L HA 0.009 4.349 4.340 0.000 0.000 0.211 405 L C 0.783 177.880 176.870 0.378 0.000 1.106 405 L CA 0.416 55.446 54.840 0.317 0.000 0.793 405 L CB 0.307 42.614 42.059 0.413 0.000 0.927 405 L HN -0.007 nan 8.230 nan 0.000 0.446 406 A N -0.493 122.462 122.820 0.225 0.000 3.124 406 A HA 0.464 4.784 4.320 0.000 0.000 0.295 406 A C -2.665 174.919 177.584 0.000 0.000 1.199 406 A CA -0.882 51.255 52.037 0.167 0.000 0.845 406 A CB -0.051 18.965 19.000 0.027 0.000 1.381 406 A HN -0.176 nan 8.150 nan 0.000 0.537 407 P HA 0.318 nan 4.420 nan 0.000 0.265 407 P C 1.147 178.383 177.300 -0.106 0.000 1.193 407 P CA 1.952 64.999 63.100 -0.089 0.000 0.765 407 P CB 0.796 32.481 31.700 -0.025 0.000 0.823 408 G N 2.457 111.143 108.800 -0.190 0.000 2.225 408 G HA2 -0.273 3.687 3.960 0.000 0.000 0.267 408 G HA3 -0.273 3.687 3.960 0.000 0.000 0.267 408 G C 0.622 175.464 174.900 -0.097 0.000 1.024 408 G CA 0.725 45.745 45.100 -0.134 0.000 0.784 408 G HN 0.659 nan 8.290 nan 0.000 0.507 409 T N -2.941 111.527 114.554 -0.143 0.000 2.975 409 T HA 0.580 4.930 4.350 0.000 0.000 0.257 409 T C 0.369 175.134 174.700 0.108 0.000 1.003 409 T CA 0.799 62.906 62.100 0.012 0.000 0.932 409 T CB 0.247 69.180 68.868 0.109 0.000 1.087 409 T HN 1.618 nan 8.240 nan 0.000 0.512 410 F N -0.848 119.070 119.950 -0.053 0.000 2.703 410 F HA 0.797 5.324 4.527 0.000 0.000 0.308 410 F C -0.457 175.333 175.800 -0.017 0.000 1.126 410 F CA -1.699 56.275 58.000 -0.043 0.000 0.959 410 F CB 0.782 39.735 39.000 -0.078 0.000 1.297 410 F HN 0.102 nan 8.300 nan 0.000 0.441 411 G N 0.723 109.637 108.800 0.189 0.000 2.434 411 G HA2 0.597 4.557 3.960 0.000 0.000 0.330 411 G HA3 0.597 4.557 3.960 0.000 0.000 0.330 411 G C -1.764 173.317 174.900 0.302 0.000 1.155 411 G CA -1.177 44.017 45.100 0.158 0.000 0.917 411 G HN 0.707 nan 8.290 nan 0.000 0.493 412 V N 1.608 121.687 119.914 0.275 0.000 2.333 412 V HA 0.213 4.333 4.120 0.000 0.000 0.274 412 V C 0.894 177.167 176.094 0.298 0.000 1.028 412 V CA -0.484 62.008 62.300 0.320 0.000 0.851 412 V CB 1.185 33.211 31.823 0.339 0.000 1.000 412 V HN 0.868 nan 8.190 nan 0.000 0.456 413 K N 3.292 123.818 120.400 0.210 0.000 2.167 413 K HA 0.121 4.441 4.320 0.000 0.000 0.203 413 K C 0.926 177.599 176.600 0.122 0.000 1.052 413 K CA 0.710 57.074 56.287 0.128 0.000 0.956 413 K CB 0.405 32.953 32.500 0.080 0.000 0.735 413 K HN 0.533 nan 8.250 nan 0.000 0.451 414 R N 0.438 121.061 120.500 0.205 0.000 2.561 414 R HA 0.314 4.654 4.340 0.000 0.000 0.266 414 R C -1.833 174.631 176.300 0.273 0.000 1.091 414 R CA -0.432 55.782 56.100 0.191 0.000 0.927 414 R CB 1.144 31.474 30.300 0.051 0.000 1.240 414 R HN -0.060 nan 8.270 nan 0.000 0.449 415 L N 3.793 125.225 121.223 0.349 0.000 2.334 415 L HA 0.717 5.057 4.340 0.000 0.000 0.276 415 L C -0.845 176.116 176.870 0.151 0.000 1.014 415 L CA -1.193 53.836 54.840 0.316 0.000 0.815 415 L CB 2.238 44.553 42.059 0.427 0.000 1.268 415 L HN 0.338 nan 8.230 nan 0.000 0.428 416 V N 3.198 123.194 119.914 0.137 0.000 2.668 416 V HA 0.599 4.719 4.120 0.000 0.000 0.304 416 V C -0.880 175.369 176.094 0.259 0.000 1.071 416 V CA -0.599 61.660 62.300 -0.069 0.000 0.894 416 V CB 1.703 33.222 31.823 -0.506 0.000 1.008 416 V HN 0.663 nan 8.190 nan 0.000 0.425 417 F N 1.676 121.703 119.950 0.128 0.000 2.741 417 F HA 0.818 5.345 4.527 -0.000 0.000 0.311 417 F C -1.187 174.733 175.800 0.201 0.000 1.149 417 F CA -1.051 57.052 58.000 0.173 0.000 0.930 417 F CB 1.733 40.800 39.000 0.112 0.000 1.312 417 F HN 0.572 nan 8.300 nan 0.000 0.450 418 H N 0.888 120.119 119.070 0.267 0.000 2.689 418 H HA 0.385 4.941 4.556 0.000 0.000 0.346 418 H C -1.439 173.854 175.328 -0.057 0.000 1.037 418 H CA -0.731 55.352 56.048 0.058 0.000 1.234 418 H CB 1.242 30.886 29.762 -0.197 0.000 1.572 418 H HN 0.776 nan 8.280 nan 0.000 0.524 419 N N 4.729 123.189 118.700 -0.401 0.000 2.415 419 N HA -0.036 4.704 4.740 0.000 0.000 0.250 419 N C -0.008 175.315 175.510 -0.312 0.000 1.127 419 N CA -0.015 52.906 53.050 -0.215 0.000 0.945 419 N CB 0.173 38.643 38.487 -0.030 0.000 1.196 419 N HN 0.743 nan 8.380 nan 0.000 0.499 420 W N 2.751 124.149 121.300 0.163 0.000 2.518 420 W HA -0.027 4.633 4.660 0.000 0.000 0.273 420 W C 2.031 178.631 176.519 0.136 0.000 1.247 420 W CA -0.056 57.432 57.345 0.238 0.000 1.288 420 W CB 0.053 29.688 29.460 0.291 0.000 1.107 420 W HN 0.341 nan 8.180 nan 0.000 0.586 421 V N 0.629 120.713 119.914 0.283 0.000 2.427 421 V HA -0.239 3.881 4.120 0.000 0.000 0.248 421 V C 1.746 177.897 176.094 0.096 0.000 1.051 421 V CA 1.777 64.171 62.300 0.158 0.000 1.048 421 V CB -0.562 31.339 31.823 0.130 0.000 0.666 421 V HN 0.137 nan 8.190 nan 0.000 0.456 422 K N -0.505 119.939 120.400 0.074 0.000 2.374 422 K HA 0.072 4.392 4.320 0.000 0.000 0.196 422 K C 0.501 177.104 176.600 0.006 0.000 1.023 422 K CA -0.181 56.123 56.287 0.029 0.000 1.103 422 K CB 0.177 32.691 32.500 0.023 0.000 0.848 422 K HN 0.311 nan 8.250 nan 0.000 0.528 423 D N 2.301 122.726 120.400 0.041 0.000 2.382 423 D HA -0.074 4.566 4.640 0.000 0.000 0.259 423 D C 0.847 177.152 176.300 0.008 0.000 1.224 423 D CA 0.212 54.243 54.000 0.052 0.000 0.894 423 D CB 0.938 41.883 40.800 0.241 0.000 1.127 423 D HN 0.328 nan 8.370 nan 0.000 0.487 424 E N 2.897 122.976 120.200 -0.203 0.000 2.333 424 E HA -0.190 4.160 4.350 0.000 0.000 0.198 424 E C 0.518 176.959 176.600 -0.265 0.000 1.007 424 E CA 0.956 57.158 56.400 -0.329 0.000 0.845 424 E CB -0.246 29.115 29.700 -0.564 0.000 0.766 424 E HN 0.370 nan 8.360 nan 0.000 0.507 425 F N -0.100 119.937 119.950 0.147 0.000 2.641 425 F HA 0.514 5.041 4.527 0.000 0.000 0.302 425 F C 1.376 177.304 175.800 0.214 0.000 1.098 425 F CA -0.030 58.060 58.000 0.151 0.000 1.318 425 F CB 0.842 39.911 39.000 0.114 0.000 1.035 425 F HN 0.193 nan 8.300 nan 0.000 0.551 426 A N -0.209 122.833 122.820 0.370 0.000 1.852 426 A HA 0.229 4.549 4.320 0.000 0.000 0.205 426 A C 1.181 178.929 177.584 0.273 0.000 1.757 426 A CA -0.148 52.112 52.037 0.372 0.000 1.088 426 A CB 0.235 19.563 19.000 0.547 0.000 1.079 426 A HN 0.072 nan 8.150 nan 0.000 0.524 427 K N -0.246 120.287 120.400 0.222 0.000 3.035 427 K HA -0.119 4.201 4.320 0.000 0.000 0.262 427 K C 0.326 176.962 176.600 0.060 0.000 1.024 427 K CA 0.527 56.883 56.287 0.115 0.000 0.748 427 K CB -2.178 30.361 32.500 0.065 0.000 1.247 427 K HN 1.671 nan 8.250 nan 0.000 0.482 428 G N -1.776 107.118 108.800 0.157 0.000 2.359 428 G HA2 0.483 4.443 3.960 0.000 0.000 0.293 428 G HA3 0.483 4.443 3.960 0.000 0.000 0.293 428 G C -1.201 173.824 174.900 0.207 0.000 1.300 428 G CA -0.371 44.788 45.100 0.098 0.000 0.888 428 G HN 0.389 nan 8.290 nan 0.000 0.541 429 A N -0.884 121.969 122.820 0.055 0.000 3.158 429 A HA 0.859 5.179 4.320 0.000 0.000 0.217 429 A C 0.273 177.768 177.584 -0.148 0.000 1.469 429 A CA 0.119 52.049 52.037 -0.178 0.000 0.885 429 A CB -0.338 18.337 19.000 -0.541 0.000 1.662 429 A HN 2.144 nan 8.150 nan 0.000 0.512 430 W N -1.369 119.921 121.300 -0.017 0.000 2.470 430 W HA 0.230 4.890 4.660 0.000 0.000 0.341 430 W C -0.308 176.108 176.519 -0.172 0.000 1.199 430 W CA -0.675 56.637 57.345 -0.055 0.000 1.339 430 W CB -0.406 29.029 29.460 -0.042 0.000 1.178 430 W HN 0.453 nan 8.180 nan 0.000 0.578 431 F N 4.991 124.822 119.950 -0.198 0.000 2.602 431 F HA 0.240 4.767 4.527 0.000 0.000 0.385 431 F C -0.720 175.146 175.800 0.109 0.000 1.063 431 F CA -0.119 57.608 58.000 -0.455 0.000 1.233 431 F CB -0.051 38.847 39.000 -0.170 0.000 1.067 431 F HN 0.353 nan 8.300 nan 0.000 0.564 432 F N 5.295 124.717 119.950 -0.880 0.000 2.581 432 F HA 0.428 4.955 4.527 0.000 0.000 0.311 432 F C -0.633 174.692 175.800 -0.792 0.000 1.113 432 F CA -0.608 57.042 58.000 -0.583 0.000 0.935 432 F CB 1.576 40.514 39.000 -0.104 0.000 1.232 432 F HN 0.536 nan 8.300 nan 0.000 0.445 433 S N 4.622 119.883 115.700 -0.731 0.000 2.654 433 S HA 0.690 5.160 4.470 0.000 0.000 0.283 433 S C -0.263 174.300 174.600 -0.062 0.000 1.180 433 S CA -0.994 56.989 58.200 -0.362 0.000 1.021 433 S CB 1.526 64.648 63.200 -0.131 0.000 1.018 433 S HN 0.725 nan 8.310 nan 0.000 0.532 434 R N 0.570 121.061 120.500 -0.014 0.000 2.615 434 R HA 0.345 4.685 4.340 0.000 0.000 0.270 434 R C -2.642 173.676 176.300 0.029 0.000 1.081 434 R CA -1.796 54.311 56.100 0.012 0.000 1.154 434 R CB -0.582 29.728 30.300 0.017 0.000 1.063 434 R HN 0.418 nan 8.270 nan 0.000 0.519 435 P HA -0.070 nan 4.420 nan 0.000 0.262 435 P C 0.625 177.953 177.300 0.046 0.000 1.182 435 P CA 1.124 64.254 63.100 0.050 0.000 0.761 435 P CB 0.455 32.186 31.700 0.051 0.000 0.795 436 G N 3.237 112.067 108.800 0.051 0.000 2.234 436 G HA2 -0.397 3.563 3.960 0.000 0.000 0.260 436 G HA3 -0.397 3.563 3.960 0.000 0.000 0.260 436 G C 0.975 175.923 174.900 0.081 0.000 0.987 436 G CA 0.471 45.606 45.100 0.059 0.000 0.625 436 G HN 0.548 nan 8.290 nan 0.000 0.532 437 M N 0.481 120.132 119.600 0.085 0.000 2.117 437 M HA 0.003 4.483 4.480 0.000 0.000 0.262 437 M C 2.423 178.812 176.300 0.148 0.000 1.065 437 M CA 2.554 57.922 55.300 0.114 0.000 1.114 437 M CB -0.201 32.476 32.600 0.128 0.000 1.361 437 M HN 0.191 nan 8.290 nan 0.000 0.408 438 V N 0.233 120.242 119.914 0.158 0.000 2.358 438 V HA -0.215 3.905 4.120 0.000 0.000 0.246 438 V C 2.404 178.584 176.094 0.143 0.000 1.047 438 V CA 1.976 64.369 62.300 0.155 0.000 1.035 438 V CB -0.642 31.261 31.823 0.134 0.000 0.658 438 V HN 0.544 nan 8.190 nan 0.000 0.452 439 S N -0.649 115.153 115.700 0.170 0.000 2.365 439 S HA -0.291 4.179 4.470 0.000 0.000 0.225 439 S C 2.020 176.794 174.600 0.291 0.000 1.039 439 S CA 2.001 60.382 58.200 0.302 0.000 1.033 439 S CB -0.299 63.071 63.200 0.283 0.000 0.887 439 S HN 0.682 nan 8.310 nan 0.000 0.447 440 E N -0.687 119.616 120.200 0.172 0.000 2.107 440 E HA -0.090 4.260 4.350 0.000 0.000 0.191 440 E C 1.399 178.053 176.600 0.091 0.000 0.982 440 E CA 1.134 57.602 56.400 0.114 0.000 0.809 440 E CB 0.077 29.824 29.700 0.079 0.000 0.756 440 E HN 0.508 nan 8.360 nan 0.000 0.459 441 C N -0.375 118.979 119.300 0.091 0.000 3.364 441 C HA 0.191 4.651 4.460 0.000 0.000 0.340 441 C C 2.118 177.118 174.990 0.018 0.000 1.336 441 C CA -0.647 58.396 59.018 0.041 0.000 1.778 441 C CB -0.456 27.311 27.740 0.045 0.000 2.398 441 C HN 0.404 nan 8.230 nan 0.000 0.667 442 L N 1.741 123.001 121.223 0.061 0.000 2.013 442 L HA -0.228 4.112 4.340 0.000 0.000 0.212 442 L C 2.588 179.468 176.870 0.017 0.000 1.073 442 L CA 2.095 56.958 54.840 0.039 0.000 0.753 442 L CB -0.803 41.290 42.059 0.056 0.000 0.890 442 L HN 0.412 nan 8.230 nan 0.000 0.432 443 Q N -0.964 118.871 119.800 0.057 0.000 2.002 443 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 443 Q C 2.053 178.029 176.000 -0.041 0.000 0.988 443 Q CA 1.968 57.793 55.803 0.038 0.000 0.843 443 Q CB -0.638 28.143 28.738 0.070 0.000 0.908 443 Q HN 0.667 nan 8.270 nan 0.000 0.420 444 G N 0.773 109.532 108.800 -0.068 0.000 2.475 444 G HA2 -0.241 3.719 3.960 0.000 0.000 0.220 444 G HA3 -0.241 3.719 3.960 0.000 0.000 0.220 444 G C 1.323 176.057 174.900 -0.277 0.000 1.125 444 G CA 0.822 45.837 45.100 -0.142 0.000 0.755 444 G HN 0.326 nan 8.290 nan 0.000 0.565 445 L N -0.501 120.530 121.223 -0.320 0.000 2.395 445 L HA 0.116 4.456 4.340 0.000 0.000 0.218 445 L C 2.775 179.188 176.870 -0.763 0.000 1.130 445 L CA 0.444 54.895 54.840 -0.649 0.000 0.826 445 L CB -0.033 41.687 42.059 -0.565 0.000 0.941 445 L HN 0.166 nan 8.230 nan 0.000 0.451 446 R N -0.489 119.816 120.500 -0.324 0.000 2.312 446 R HA 0.137 4.477 4.340 0.000 0.000 0.205 446 R C 0.257 176.522 176.300 -0.057 0.000 0.904 446 R CA -0.114 55.914 56.100 -0.121 0.000 1.052 446 R CB 0.171 30.490 30.300 0.031 0.000 1.014 446 R HN 0.361 nan 8.270 nan 0.000 0.503 447 E N 1.906 122.046 120.200 -0.100 0.000 2.408 447 E HA 0.057 4.407 4.350 0.000 0.000 0.259 447 E C -0.414 176.212 176.600 0.042 0.000 1.110 447 E CA 0.090 56.473 56.400 -0.029 0.000 0.929 447 E CB 0.749 30.420 29.700 -0.048 0.000 0.971 447 E HN -0.026 nan 8.360 nan 0.000 0.438 448 K N 1.540 121.979 120.400 0.066 0.000 2.326 448 K HA 0.062 4.382 4.320 0.000 0.000 0.275 448 K C -0.066 176.638 176.600 0.173 0.000 1.018 448 K CA 0.081 56.433 56.287 0.108 0.000 0.962 448 K CB 0.507 33.044 32.500 0.061 0.000 0.953 448 K HN 0.473 nan 8.250 nan 0.000 0.475 449 H N 2.022 121.154 119.070 0.103 0.000 2.541 449 H HA 0.096 4.652 4.556 0.000 0.000 0.246 449 H C 0.710 176.073 175.328 0.058 0.000 1.341 449 H CA 0.401 56.515 56.048 0.110 0.000 1.469 449 H CB 0.380 30.322 29.762 0.300 0.000 1.472 449 H HN 0.975 nan 8.280 nan 0.000 0.503 450 G N 2.921 111.659 108.800 -0.105 0.000 2.692 450 G HA2 -0.435 3.525 3.960 0.000 0.000 0.339 450 G HA3 -0.435 3.525 3.960 0.000 0.000 0.339 450 G C 1.204 176.085 174.900 -0.032 0.000 1.226 450 G CA 0.500 45.543 45.100 -0.095 0.000 0.979 450 G HN 0.688 nan 8.290 nan 0.000 0.549 451 G N -0.602 108.185 108.800 -0.022 0.000 3.088 451 G HA2 0.465 4.425 3.960 0.000 0.000 0.217 451 G HA3 0.465 4.425 3.960 0.000 0.000 0.217 451 G C 0.193 175.080 174.900 -0.022 0.000 1.159 451 G CA 1.037 46.131 45.100 -0.010 0.000 0.760 451 G HN 1.106 nan 8.290 nan 0.000 0.550 452 V N 1.360 121.262 119.914 -0.021 0.000 2.398 452 V HA 0.362 4.482 4.120 0.000 0.000 0.286 452 V C -0.263 175.715 176.094 -0.193 0.000 1.026 452 V CA -0.814 61.393 62.300 -0.154 0.000 0.868 452 V CB 1.822 33.487 31.823 -0.262 0.000 0.982 452 V HN -0.060 nan 8.190 nan 0.000 0.443 453 V N 5.423 125.208 119.914 -0.215 0.000 2.333 453 V HA 0.395 4.515 4.120 0.000 0.000 0.274 453 V C -0.355 175.639 176.094 -0.168 0.000 1.028 453 V CA -0.372 61.866 62.300 -0.104 0.000 0.851 453 V CB 0.574 32.377 31.823 -0.033 0.000 1.000 453 V HN 0.639 nan 8.190 nan 0.000 0.456 454 F N 3.623 123.617 119.950 0.074 0.000 2.444 454 F HA 0.631 5.158 4.527 -0.000 0.000 0.360 454 F C 0.681 176.752 175.800 0.453 0.000 1.106 454 F CA -0.064 58.037 58.000 0.168 0.000 1.170 454 F CB 1.019 39.950 39.000 -0.115 0.000 1.113 454 F HN 0.557 nan 8.300 nan 0.000 0.521 455 A N 4.124 127.331 122.820 0.645 0.000 2.402 455 A HA 0.689 5.009 4.320 0.000 0.000 0.291 455 A C -1.158 176.436 177.584 0.017 0.000 1.051 455 A CA -0.555 51.736 52.037 0.423 0.000 0.716 455 A CB 1.313 20.422 19.000 0.181 0.000 1.223 455 A HN 0.613 nan 8.150 nan 0.000 0.425 456 N N 0.703 119.098 118.700 -0.508 0.000 2.745 456 N HA 0.160 4.900 4.740 0.000 0.000 0.256 456 N C 0.665 175.655 175.510 -0.865 0.000 1.268 456 N CA 0.233 52.818 53.050 -0.775 0.000 0.887 456 N CB 1.996 39.821 38.487 -1.104 0.000 1.575 456 N HN 0.367 nan 8.380 nan 0.000 0.496 457 S N 0.973 116.395 115.700 -0.463 0.000 2.407 457 S HA -0.165 4.305 4.470 0.000 0.000 0.235 457 S C 0.601 174.961 174.600 -0.401 0.000 1.036 457 S CA 1.914 59.927 58.200 -0.311 0.000 1.013 457 S CB -0.285 62.852 63.200 -0.104 0.000 0.820 457 S HN 0.606 nan 8.310 nan 0.000 0.476 458 D N 0.285 120.355 120.400 -0.551 0.000 2.280 458 D HA -0.146 4.494 4.640 0.000 0.000 0.206 458 D C 0.980 176.840 176.300 -0.733 0.000 0.988 458 D CA 1.307 54.962 54.000 -0.576 0.000 0.886 458 D CB -0.291 40.320 40.800 -0.315 0.000 0.914 458 D HN 0.943 nan 8.370 nan 0.000 0.473 459 W N -0.620 120.458 121.300 -0.370 0.000 2.407 459 W HA 0.729 5.389 4.660 -0.000 0.000 0.370 459 W C -0.023 176.402 176.519 -0.156 0.000 0.928 459 W CA -1.094 56.071 57.345 -0.301 0.000 2.005 459 W CB -0.596 28.739 29.460 -0.208 0.000 1.171 459 W HN -0.134 nan 8.180 nan 0.000 0.572 460 A N 1.158 123.907 122.820 -0.119 0.000 2.409 460 A HA 0.344 4.664 4.320 0.000 0.000 0.246 460 A C 0.815 178.401 177.584 0.003 0.000 1.099 460 A CA 0.310 52.330 52.037 -0.029 0.000 0.789 460 A CB 0.590 19.572 19.000 -0.031 0.000 1.053 460 A HN 0.368 nan 8.150 nan 0.000 0.503 461 L N 0.054 121.307 121.223 0.050 0.000 2.388 461 L HA 0.228 4.568 4.340 0.000 0.000 0.209 461 L C 2.043 178.923 176.870 0.017 0.000 1.061 461 L CA 1.981 56.858 54.840 0.062 0.000 0.834 461 L CB -1.264 40.882 42.059 0.145 0.000 1.029 461 L HN 0.865 nan 8.230 nan 0.000 0.473 462 G N -2.077 106.736 108.800 0.021 0.000 2.964 462 G HA2 -0.093 3.867 3.960 0.000 0.000 0.191 462 G HA3 -0.093 3.867 3.960 0.000 0.000 0.191 462 G C -0.577 174.229 174.900 -0.156 0.000 1.978 462 G CA -0.370 44.580 45.100 -0.249 0.000 0.861 462 G HN 0.223 nan 8.290 nan 0.000 0.584 463 W N 2.674 123.976 121.300 0.002 0.000 1.282 463 W HA 0.371 5.031 4.660 -0.000 0.000 0.527 463 W C 1.132 177.765 176.519 0.191 0.000 0.616 463 W CA -0.625 56.699 57.345 -0.036 0.000 2.357 463 W CB -0.320 29.019 29.460 -0.201 0.000 1.453 463 W HN 0.115 nan 8.180 nan 0.000 0.188 464 R N 1.986 122.654 120.500 0.280 0.000 2.489 464 R HA 0.153 4.493 4.340 0.000 0.000 0.287 464 R C 1.327 177.798 176.300 0.286 0.000 1.053 464 R CA 1.261 57.465 56.100 0.175 0.000 1.036 464 R CB 0.635 30.935 30.300 -0.000 0.000 0.966 464 R HN 0.439 nan 8.270 nan 0.000 0.432 465 S N 1.861 117.658 115.700 0.163 0.000 2.659 465 S HA -0.169 4.301 4.470 0.000 0.000 0.264 465 S C -0.437 174.060 174.600 -0.172 0.000 1.310 465 S CA 0.695 58.958 58.200 0.104 0.000 1.262 465 S CB -1.950 61.440 63.200 0.316 0.000 1.548 465 S HN 0.505 nan 8.310 nan 0.000 0.657 466 F N 1.155 121.126 119.950 0.035 0.000 2.440 466 F HA 0.661 5.188 4.527 0.000 0.000 0.328 466 F C 2.024 177.840 175.800 0.026 0.000 1.070 466 F CA -0.642 57.350 58.000 -0.013 0.000 1.011 466 F CB 0.409 39.375 39.000 -0.056 0.000 1.226 466 F HN -0.008 nan 8.300 nan 0.000 0.491 467 I N 0.516 121.204 120.570 0.196 0.000 2.145 467 I HA -0.380 3.790 4.170 0.000 0.000 0.244 467 I C 2.318 178.506 176.117 0.119 0.000 1.075 467 I CA 1.841 63.215 61.300 0.123 0.000 1.332 467 I CB -0.331 37.687 38.000 0.031 0.000 1.033 467 I HN 0.735 nan 8.210 nan 0.000 0.410 468 D N 1.091 121.578 120.400 0.144 0.000 2.133 468 D HA -0.211 4.429 4.640 0.000 0.000 0.192 468 D C 2.118 178.537 176.300 0.198 0.000 1.001 468 D CA 2.011 56.120 54.000 0.182 0.000 0.844 468 D CB -0.151 40.700 40.800 0.084 0.000 0.944 468 D HN 0.433 nan 8.370 nan 0.000 0.447 469 G N 0.317 109.253 108.800 0.227 0.000 2.448 469 G HA2 -0.136 3.824 3.960 0.000 0.000 0.219 469 G HA3 -0.136 3.824 3.960 0.000 0.000 0.219 469 G C 1.688 176.587 174.900 -0.002 0.000 1.127 469 G CA 1.148 46.315 45.100 0.111 0.000 0.766 469 G HN 0.450 nan 8.290 nan 0.000 0.552 470 A N 0.661 123.500 122.820 0.032 0.000 1.897 470 A HA 0.150 4.470 4.320 0.000 0.000 0.215 470 A C 2.362 179.951 177.584 0.007 0.000 1.181 470 A CA 1.021 53.059 52.037 0.001 0.000 0.620 470 A CB -0.253 18.794 19.000 0.077 0.000 0.821 470 A HN 0.355 nan 8.150 nan 0.000 0.443 471 I N -0.535 120.064 120.570 0.048 0.000 2.163 471 I HA -0.257 3.913 4.170 0.000 0.000 0.240 471 I C 2.535 178.645 176.117 -0.012 0.000 1.081 471 I CA 1.683 63.033 61.300 0.083 0.000 1.353 471 I CB -0.442 37.680 38.000 0.204 0.000 1.054 471 I HN 0.539 nan 8.210 nan 0.000 0.407 472 E N 1.178 121.232 120.200 -0.242 0.000 2.086 472 E HA -0.314 4.036 4.350 0.000 0.000 0.205 472 E C 2.029 178.521 176.600 -0.180 0.000 1.027 472 E CA 1.832 57.899 56.400 -0.555 0.000 0.830 472 E CB -0.006 29.249 29.700 -0.741 0.000 0.751 472 E HN 0.394 nan 8.360 nan 0.000 0.456 473 E N -0.694 119.443 120.200 -0.104 0.000 2.152 473 E HA -0.083 4.267 4.350 0.000 0.000 0.192 473 E C 1.971 178.574 176.600 0.005 0.000 0.983 473 E CA 0.909 57.287 56.400 -0.036 0.000 0.818 473 E CB -0.244 29.405 29.700 -0.085 0.000 0.758 473 E HN 0.466 nan 8.360 nan 0.000 0.467 474 G N 0.420 109.223 108.800 0.004 0.000 2.403 474 G HA2 -0.200 3.760 3.960 0.000 0.000 0.216 474 G HA3 -0.200 3.760 3.960 0.000 0.000 0.216 474 G C 1.678 176.610 174.900 0.054 0.000 1.154 474 G CA 1.204 46.323 45.100 0.030 0.000 0.784 474 G HN 0.213 nan 8.290 nan 0.000 0.538 475 T N 0.263 114.856 114.554 0.065 0.000 2.708 475 T HA -0.101 4.249 4.350 0.000 0.000 0.266 475 T C 2.309 177.050 174.700 0.067 0.000 1.037 475 T CA 1.269 63.420 62.100 0.085 0.000 1.146 475 T CB -0.113 68.825 68.868 0.116 0.000 0.865 475 T HN 0.327 nan 8.240 nan 0.000 0.435 476 R N 0.924 121.457 120.500 0.055 0.000 2.120 476 R HA 0.013 4.353 4.340 0.000 0.000 0.234 476 R C 2.475 178.808 176.300 0.054 0.000 1.123 476 R CA 1.282 57.417 56.100 0.059 0.000 0.975 476 R CB -0.343 29.997 30.300 0.065 0.000 0.866 476 R HN 0.375 nan 8.270 nan 0.000 0.446 477 A N 0.633 123.483 122.820 0.050 0.000 1.929 477 A HA 0.026 4.346 4.320 0.000 0.000 0.216 477 A C 2.322 179.910 177.584 0.005 0.000 1.176 477 A CA 1.238 53.296 52.037 0.035 0.000 0.628 477 A CB -0.568 18.454 19.000 0.037 0.000 0.816 477 A HN 0.502 nan 8.150 nan 0.000 0.444 478 A N -0.349 122.480 122.820 0.014 0.000 1.902 478 A HA -0.176 4.144 4.320 0.000 0.000 0.217 478 A C 2.277 179.859 177.584 -0.002 0.000 1.181 478 A CA 1.553 53.590 52.037 -0.000 0.000 0.623 478 A CB -0.531 18.490 19.000 0.035 0.000 0.818 478 A HN 0.434 nan 8.150 nan 0.000 0.443 479 R N -0.363 120.153 120.500 0.027 0.000 2.105 479 R HA -0.114 4.226 4.340 0.000 0.000 0.239 479 R C 2.033 178.343 176.300 0.017 0.000 1.135 479 R CA 1.731 57.850 56.100 0.032 0.000 0.967 479 R CB -0.521 29.807 30.300 0.048 0.000 0.861 479 R HN 0.416 nan 8.270 nan 0.000 0.442 480 V N 0.126 120.046 119.914 0.010 0.000 2.427 480 V HA -0.186 3.934 4.120 0.000 0.000 0.248 480 V C 2.393 178.469 176.094 -0.029 0.000 1.051 480 V CA 1.322 63.624 62.300 0.003 0.000 1.048 480 V CB -0.256 31.575 31.823 0.014 0.000 0.666 480 V HN 0.108 nan 8.190 nan 0.000 0.456 481 V N 0.064 119.935 119.914 -0.072 0.000 2.379 481 V HA -0.152 3.968 4.120 0.000 0.000 0.245 481 V C 2.330 178.305 176.094 -0.198 0.000 1.044 481 V CA 1.778 63.985 62.300 -0.154 0.000 1.036 481 V CB -0.411 31.275 31.823 -0.228 0.000 0.664 481 V HN 0.523 nan 8.190 nan 0.000 0.453 482 L N 0.814 121.951 121.223 -0.143 0.000 2.072 482 L HA -0.097 4.243 4.340 0.000 0.000 0.205 482 L C 2.287 179.196 176.870 0.066 0.000 1.079 482 L CA 1.942 56.765 54.840 -0.029 0.000 0.752 482 L CB -1.439 40.668 42.059 0.080 0.000 0.906 482 L HN 0.446 nan 8.230 nan 0.000 0.436 483 E N 0.042 120.265 120.200 0.039 0.000 2.110 483 E HA -0.221 4.130 4.350 0.000 0.000 0.193 483 E C 1.779 178.401 176.600 0.037 0.000 0.988 483 E CA 1.486 57.913 56.400 0.044 0.000 0.804 483 E CB -0.092 29.629 29.700 0.035 0.000 0.745 483 E HN 0.663 nan 8.360 nan 0.000 0.458 484 E N 0.413 120.623 120.200 0.016 0.000 2.481 484 E HA 0.066 4.416 4.350 0.000 0.000 0.195 484 E C 0.184 176.801 176.600 0.029 0.000 1.047 484 E CA -0.185 56.224 56.400 0.015 0.000 0.867 484 E CB 0.044 29.743 29.700 -0.002 0.000 0.858 484 E HN 0.054 nan 8.360 nan 0.000 0.513 485 L N 0.000 121.252 121.223 0.048 0.000 2.949 485 L HA 0.000 4.340 4.340 0.000 0.000 0.249 485 L CA 0.000 54.912 54.840 0.121 0.000 0.813 485 L CB 0.000 42.149 42.059 0.149 0.000 0.961 485 L HN 0.000 nan 8.230 nan 0.000 0.502