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 2j7a_1_A DATA FIRST_RESID 26 DATA SEQUENCE GCSDVSTELK TPVYKTKLTA EEIRNSAFKP EFPKQYASYE RNDETTVMTE DATA SEQUENCE YKGSVPFNKN DNVNPLPEGY RHAQPYLKNL WLGYPFMYEY REARGHTYAI DATA SEQUENCE QDFLHIDRIN RYAEKGGLPA TCWNCKTPKM MEWVKESGDG FWAKDVNEFR DATA SEQUENCE DKIDMKDHTI GCATCHDPQT MELRITSVPL TDYLVSQGKD PKKLPRNEMR DATA SEQUENCE ALVCGQCHVE YYFNGPTMGV NKKPVFPWAE GFDPADMYRY YDKHGDLQVK DATA SEQUENCE GFEGKFADWT HPASKTPMIK AQHPEYETWI NGTHGAAGVT CADCHMSYTR DATA SEQUENCE SDDKKKISSH WWTSPMKDPE MRACRQCHSD KTPDYLKSRV LFTQKRTFDL DATA SEQUENCE LLAAQEVSVK AHEAVRLANE YQGAKAAGYD DLMIQAREMV RKGQFFWDYV DATA SEQUENCE SAENSVGFHN PAKALDTLAQ SQQFSQKAID LAMEATQYGI GKDLSGDIKT DATA SEQUENCE IVPPILKMNR KLQQDPEFMK THKWFQYLPV LPKADQVWDG QKRLV 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 26 G HA2 0.000 nan 3.960 nan 0.000 0.244 26 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 26 G C 0.000 174.901 174.900 0.001 0.000 0.946 26 G CA 0.000 45.101 45.100 0.001 0.000 0.502 27 C N -0.498 118.802 119.300 0.001 0.000 2.325 27 C HA 0.836 5.296 4.460 -0.000 0.000 0.370 27 C C 1.179 176.169 174.990 0.001 0.000 1.217 27 C CA -0.256 58.762 59.018 0.001 0.000 2.254 27 C CB 1.366 29.107 27.740 0.000 0.000 2.282 27 C HN 0.807 nan 8.230 nan 0.000 0.564 28 S N 0.183 115.883 115.700 0.001 0.000 2.562 28 S HA 0.129 4.599 4.470 -0.000 0.000 0.275 28 S C 0.517 175.117 174.600 0.000 0.000 1.281 28 S CA -0.119 58.082 58.200 0.001 0.000 1.045 28 S CB 0.477 63.677 63.200 0.001 0.000 0.962 28 S HN 0.840 nan 8.310 nan 0.000 0.503 29 D N 3.421 123.821 120.400 0.000 0.000 2.358 29 D HA 0.073 4.713 4.640 -0.000 0.000 0.224 29 D C -0.078 176.222 176.300 -0.000 0.000 1.123 29 D CA 0.093 54.093 54.000 0.000 0.000 0.833 29 D CB 0.218 41.019 40.800 0.000 0.000 0.946 29 D HN 0.366 nan 8.370 nan 0.000 0.505 30 V N 1.847 121.761 119.914 -0.000 0.000 2.157 30 V HA -0.002 4.118 4.120 -0.000 0.000 0.241 30 V C 1.577 177.670 176.094 -0.001 0.000 1.349 30 V CA 0.201 62.501 62.300 -0.001 0.000 1.319 30 V CB 0.173 31.996 31.823 -0.001 0.000 1.421 30 V HN 0.060 nan 8.190 nan 0.000 0.501 31 S N 1.569 117.268 115.700 -0.002 0.000 2.470 31 S HA -0.009 4.461 4.470 -0.000 0.000 0.225 31 S C 1.082 175.680 174.600 -0.003 0.000 1.006 31 S CA 0.470 58.668 58.200 -0.002 0.000 0.934 31 S CB 0.183 63.381 63.200 -0.002 0.000 0.778 31 S HN 0.749 nan 8.310 nan 0.000 0.517 32 T N 2.338 116.889 114.554 -0.004 0.000 2.749 32 T HA 0.367 4.716 4.350 -0.000 0.000 0.287 32 T C -0.493 174.203 174.700 -0.006 0.000 0.970 32 T CA -0.478 61.619 62.100 -0.005 0.000 0.980 32 T CB 1.732 70.597 68.868 -0.005 0.000 0.924 32 T HN 0.250 nan 8.240 nan 0.000 0.456 33 E N 3.252 123.448 120.200 -0.007 0.000 2.204 33 E HA 0.410 4.760 4.350 -0.000 0.000 0.276 33 E C -0.701 175.894 176.600 -0.009 0.000 0.974 33 E CA -0.791 55.605 56.400 -0.007 0.000 0.815 33 E CB 1.032 30.729 29.700 -0.006 0.000 1.119 33 E HN 0.494 nan 8.360 nan 0.000 0.393 34 L N 4.415 125.633 121.223 -0.008 0.000 2.361 34 L HA 0.257 4.597 4.340 -0.000 0.000 0.278 34 L C -0.709 176.155 176.870 -0.010 0.000 1.113 34 L CA 0.353 55.186 54.840 -0.011 0.000 0.849 34 L CB 0.198 42.251 42.059 -0.010 0.000 1.155 34 L HN 0.591 nan 8.230 nan 0.000 0.452 35 K N 2.502 122.893 120.400 -0.015 0.000 2.468 35 K HA 0.312 4.632 4.320 -0.000 0.000 0.252 35 K C -0.660 175.928 176.600 -0.019 0.000 0.932 35 K CA -0.730 55.548 56.287 -0.016 0.000 0.794 35 K CB 2.076 34.563 32.500 -0.023 0.000 1.241 35 K HN 0.385 nan 8.250 nan 0.000 0.428 36 T N 4.330 118.879 114.554 -0.009 0.000 2.822 36 T HA 0.047 4.397 4.350 -0.000 0.000 0.288 36 T C -2.148 172.527 174.700 -0.042 0.000 0.991 36 T CA -0.622 61.477 62.100 -0.002 0.000 1.176 36 T CB -0.339 68.541 68.868 0.020 0.000 0.951 36 T HN 0.257 nan 8.240 nan 0.000 0.526 37 P HA 0.244 nan 4.420 nan 0.000 0.265 37 P C -0.944 176.151 177.300 -0.342 0.000 1.193 37 P CA -0.275 62.682 63.100 -0.238 0.000 0.765 37 P CB 0.463 32.024 31.700 -0.231 0.000 0.823 38 V N 4.376 124.031 119.914 -0.431 0.000 2.540 38 V HA 0.405 4.525 4.120 -0.000 0.000 0.302 38 V C -0.713 175.142 176.094 -0.398 0.000 1.035 38 V CA -0.508 61.627 62.300 -0.275 0.000 0.873 38 V CB 1.154 32.915 31.823 -0.103 0.000 0.992 38 V HN 0.400 nan 8.190 nan 0.000 0.428 39 Y N 2.870 123.230 120.300 0.100 0.000 2.446 39 Y HA 0.723 5.273 4.550 -0.000 0.000 0.345 39 Y C 0.166 176.132 175.900 0.111 0.000 0.984 39 Y CA -0.992 57.192 58.100 0.140 0.000 1.058 39 Y CB 1.974 40.569 38.460 0.225 0.000 1.220 39 Y HN 0.303 nan 8.280 nan 0.000 0.455 40 K N 2.751 123.299 120.400 0.247 0.000 2.656 40 K HA 0.254 4.574 4.320 -0.000 0.000 0.241 40 K C -0.654 176.019 176.600 0.122 0.000 0.967 40 K CA -0.194 56.183 56.287 0.151 0.000 0.946 40 K CB 1.026 33.575 32.500 0.082 0.000 1.164 40 K HN 0.913 nan 8.250 nan 0.000 0.459 41 T N -0.288 114.340 114.554 0.123 0.000 2.824 41 T HA 0.380 4.730 4.350 -0.000 0.000 0.277 41 T C 0.814 175.508 174.700 -0.010 0.000 0.975 41 T CA -0.368 61.761 62.100 0.048 0.000 0.966 41 T CB 1.079 69.988 68.868 0.069 0.000 1.054 41 T HN 0.443 nan 8.240 nan 0.000 0.533 42 K N 0.251 120.614 120.400 -0.062 0.000 2.469 42 K HA 0.337 4.657 4.320 -0.000 0.000 0.201 42 K C -0.134 176.411 176.600 -0.090 0.000 1.028 42 K CA -0.128 56.117 56.287 -0.070 0.000 1.170 42 K CB -0.295 32.155 32.500 -0.084 0.000 0.874 42 K HN 0.447 nan 8.250 nan 0.000 0.507 43 L N 0.947 122.107 121.223 -0.105 0.000 2.379 43 L HA 0.235 4.575 4.340 -0.000 0.000 0.269 43 L C 0.901 177.720 176.870 -0.084 0.000 1.084 43 L CA -0.860 53.893 54.840 -0.144 0.000 0.802 43 L CB 1.033 42.929 42.059 -0.271 0.000 1.175 43 L HN 0.087 nan 8.230 nan 0.000 0.448 44 T N -1.538 112.967 114.554 -0.081 0.000 2.849 44 T HA 0.329 4.679 4.350 -0.000 0.000 0.284 44 T C 1.074 175.757 174.700 -0.028 0.000 1.004 44 T CA -0.197 61.875 62.100 -0.046 0.000 1.021 44 T CB 1.453 70.296 68.868 -0.042 0.000 1.013 44 T HN 0.665 nan 8.240 nan 0.000 0.527 45 A N 0.333 123.145 122.820 -0.012 0.000 2.225 45 A HA 0.025 4.345 4.320 -0.000 0.000 0.215 45 A C 1.713 179.299 177.584 0.003 0.000 1.164 45 A CA 0.916 52.955 52.037 0.003 0.000 0.710 45 A CB -0.595 18.406 19.000 0.002 0.000 0.780 45 A HN 0.933 nan 8.150 nan 0.000 0.473 46 E N -0.825 119.369 120.200 -0.009 0.000 2.676 46 E HA 0.068 4.418 4.350 -0.000 0.000 0.222 46 E C -0.393 176.202 176.600 -0.009 0.000 0.968 46 E CA -0.309 56.081 56.400 -0.016 0.000 1.090 46 E CB 0.321 30.002 29.700 -0.033 0.000 1.066 46 E HN 0.519 nan 8.360 nan 0.000 0.496 47 E N 1.640 121.839 120.200 -0.002 0.000 2.480 47 E HA -0.062 4.288 4.350 -0.000 0.000 0.258 47 E C 0.603 177.277 176.600 0.123 0.000 0.984 47 E CA 0.377 56.782 56.400 0.008 0.000 0.930 47 E CB 0.311 29.945 29.700 -0.110 0.000 0.936 47 E HN 0.368 nan 8.360 nan 0.000 0.466 48 I N 0.642 121.293 120.570 0.135 0.000 4.442 48 I HA 0.327 4.497 4.170 -0.000 0.000 0.331 48 I C -0.016 176.255 176.117 0.256 0.000 1.364 48 I CA -0.663 60.742 61.300 0.175 0.000 1.207 48 I CB 0.440 38.451 38.000 0.018 0.000 1.298 48 I HN 0.086 nan 8.210 nan 0.000 0.463 49 R N 2.487 123.135 120.500 0.247 0.000 2.298 49 R HA 0.297 4.637 4.340 -0.000 0.000 0.310 49 R C 0.544 177.031 176.300 0.312 0.000 1.068 49 R CA -0.400 55.815 56.100 0.192 0.000 0.957 49 R CB 0.351 30.699 30.300 0.079 0.000 1.003 49 R HN 0.193 nan 8.270 nan 0.000 0.454 50 N N 1.300 120.149 118.700 0.248 0.000 2.104 50 N HA -0.198 4.542 4.740 -0.000 0.000 0.190 50 N C 1.638 177.424 175.510 0.459 0.000 1.024 50 N CA 2.061 55.308 53.050 0.330 0.000 0.853 50 N CB -0.250 38.381 38.487 0.241 0.000 1.008 50 N HN 0.604 nan 8.380 nan 0.000 0.424 51 S N 0.554 116.408 115.700 0.256 0.000 2.440 51 S HA -0.011 4.459 4.470 -0.000 0.000 0.238 51 S C 2.006 176.615 174.600 0.016 0.000 1.010 51 S CA 0.979 59.225 58.200 0.076 0.000 0.972 51 S CB -0.284 62.928 63.200 0.021 0.000 0.774 51 S HN 0.362 nan 8.310 nan 0.000 0.501 52 A N 0.341 123.205 122.820 0.073 0.000 2.066 52 A HA 0.262 4.582 4.320 -0.000 0.000 0.218 52 A C 1.627 179.111 177.584 -0.166 0.000 1.157 52 A CA 0.747 52.735 52.037 -0.082 0.000 0.670 52 A CB -0.760 18.147 19.000 -0.155 0.000 0.804 52 A HN 0.581 nan 8.150 nan 0.000 0.453 53 F N -0.418 119.543 119.950 0.018 0.000 2.619 53 F HA 0.139 4.666 4.527 -0.000 0.000 0.293 53 F C 2.036 177.856 175.800 0.032 0.000 1.119 53 F CA 0.980 59.028 58.000 0.081 0.000 1.445 53 F CB 0.078 39.170 39.000 0.154 0.000 1.119 53 F HN 0.152 nan 8.300 nan 0.000 0.573 54 K N 1.059 121.452 120.400 -0.011 0.000 2.063 54 K HA -0.146 4.173 4.320 -0.000 0.000 0.208 54 K C -0.862 175.630 176.600 -0.179 0.000 1.048 54 K CA 1.568 57.647 56.287 -0.347 0.000 0.928 54 K CB -1.070 30.878 32.500 -0.920 0.000 0.713 54 K HN 0.098 nan 8.250 nan 0.000 0.442 55 P HA -0.148 nan 4.420 nan 0.000 0.217 55 P C 0.636 177.817 177.300 -0.197 0.000 1.150 55 P CA 1.198 64.205 63.100 -0.155 0.000 0.832 55 P CB 0.041 31.653 31.700 -0.148 0.000 0.787 56 E N -1.074 118.970 120.200 -0.261 0.000 2.072 56 E HA -0.045 4.305 4.350 -0.000 0.000 0.190 56 E C 0.340 176.426 176.600 -0.857 0.000 0.982 56 E CA 1.038 57.087 56.400 -0.584 0.000 0.803 56 E CB -0.282 29.011 29.700 -0.678 0.000 0.755 56 E HN 0.383 nan 8.360 nan 0.000 0.453 57 F N 0.984 120.940 119.950 0.011 0.000 2.584 57 F HA 0.236 4.763 4.527 -0.000 0.000 0.328 57 F C -1.750 174.077 175.800 0.044 0.000 1.407 57 F CA -1.789 56.218 58.000 0.012 0.000 1.145 57 F CB 1.509 40.488 39.000 -0.035 0.000 1.440 57 F HN -0.104 nan 8.300 nan 0.000 0.580 58 P HA -0.105 nan 4.420 nan 0.000 0.226 58 P C 1.065 178.446 177.300 0.135 0.000 1.153 58 P CA 1.214 64.376 63.100 0.103 0.000 0.777 58 P CB 0.385 32.099 31.700 0.023 0.000 0.794 59 K N -0.188 120.289 120.400 0.128 0.000 2.044 59 K HA -0.070 4.250 4.320 -0.000 0.000 0.204 59 K C 2.330 178.974 176.600 0.075 0.000 1.049 59 K CA 1.191 57.536 56.287 0.097 0.000 0.945 59 K CB -0.183 32.377 32.500 0.100 0.000 0.724 59 K HN 0.018 nan 8.250 nan 0.000 0.440 60 Q N -0.533 119.295 119.800 0.046 0.000 2.172 60 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 60 Q C 1.624 177.554 176.000 -0.117 0.000 0.964 60 Q CA 1.161 56.880 55.803 -0.140 0.000 0.855 60 Q CB -0.165 28.339 28.738 -0.390 0.000 0.918 60 Q HN 0.334 nan 8.270 nan 0.000 0.444 61 Y N 0.404 120.679 120.300 -0.042 0.000 2.200 61 Y HA -0.198 4.352 4.550 -0.000 0.000 0.290 61 Y C 2.164 178.110 175.900 0.078 0.000 1.137 61 Y CA 1.191 59.322 58.100 0.051 0.000 1.163 61 Y CB -0.187 38.319 38.460 0.077 0.000 0.988 61 Y HN 0.144 nan 8.280 nan 0.000 0.518 62 A N -1.187 121.763 122.820 0.216 0.000 1.908 62 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 62 A C 2.431 180.000 177.584 -0.026 0.000 1.181 62 A CA 2.003 54.096 52.037 0.094 0.000 0.627 62 A CB -1.318 17.718 19.000 0.060 0.000 0.818 62 A HN 0.460 nan 8.150 nan 0.000 0.445 63 S N -1.959 113.725 115.700 -0.026 0.000 2.359 63 S HA -0.207 4.263 4.470 -0.000 0.000 0.224 63 S C 1.879 176.410 174.600 -0.114 0.000 1.035 63 S CA 1.691 59.853 58.200 -0.063 0.000 1.018 63 S CB -0.534 62.674 63.200 0.015 0.000 0.876 63 S HN 0.720 nan 8.310 nan 0.000 0.448 64 Y N 2.077 122.225 120.300 -0.255 0.000 2.207 64 Y HA -0.106 4.444 4.550 -0.000 0.000 0.287 64 Y C 1.943 177.698 175.900 -0.242 0.000 1.156 64 Y CA 2.092 60.016 58.100 -0.293 0.000 1.182 64 Y CB -0.469 37.767 38.460 -0.374 0.000 0.979 64 Y HN 0.377 nan 8.280 nan 0.000 0.521 65 E N -0.007 119.974 120.200 -0.364 0.000 2.268 65 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 65 E C 2.016 178.400 176.600 -0.360 0.000 0.995 65 E CA 0.729 56.911 56.400 -0.364 0.000 0.836 65 E CB -0.119 29.496 29.700 -0.142 0.000 0.763 65 E HN 0.562 nan 8.360 nan 0.000 0.491 66 R N 0.917 121.151 120.500 -0.444 0.000 2.200 66 R HA -0.080 4.259 4.340 -0.000 0.000 0.234 66 R C 1.621 177.594 176.300 -0.544 0.000 1.127 66 R CA 0.768 56.428 56.100 -0.732 0.000 0.989 66 R CB -0.293 29.195 30.300 -1.353 0.000 0.869 66 R HN 0.190 nan 8.270 nan 0.000 0.459 67 N N 1.073 119.636 118.700 -0.229 0.000 2.519 67 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 67 N C 0.508 176.066 175.510 0.081 0.000 1.062 67 N CA 0.951 54.056 53.050 0.092 0.000 0.910 67 N CB -0.037 38.494 38.487 0.073 0.000 0.958 67 N HN 0.240 nan 8.380 nan 0.000 0.445 68 D N 0.839 121.192 120.400 -0.079 0.000 2.312 68 D HA -0.079 4.561 4.640 -0.000 0.000 0.211 68 D C 0.763 177.197 176.300 0.224 0.000 0.964 68 D CA 0.500 54.501 54.000 0.002 0.000 0.877 68 D CB -0.038 40.686 40.800 -0.126 0.000 0.924 68 D HN 0.231 nan 8.370 nan 0.000 0.515 69 E N 0.952 121.227 120.200 0.126 0.000 2.406 69 E HA -0.033 4.317 4.350 -0.000 0.000 0.258 69 E C -0.236 176.488 176.600 0.206 0.000 1.043 69 E CA 0.635 57.122 56.400 0.145 0.000 0.929 69 E CB 0.545 30.312 29.700 0.112 0.000 0.969 69 E HN -0.110 nan 8.360 nan 0.000 0.462 70 T N 2.611 117.243 114.554 0.129 0.000 3.571 70 T HA 0.137 4.487 4.350 -0.000 0.000 0.292 70 T C 0.575 175.287 174.700 0.020 0.000 0.994 70 T CA 0.349 62.477 62.100 0.046 0.000 0.996 70 T CB -0.146 68.658 68.868 -0.106 0.000 1.185 70 T HN 0.499 nan 8.240 nan 0.000 0.482 71 T N -1.888 112.694 114.554 0.047 0.000 2.959 71 T HA 0.387 4.737 4.350 -0.000 0.000 0.254 71 T C 0.344 175.060 174.700 0.027 0.000 1.003 71 T CA -0.040 62.078 62.100 0.030 0.000 0.950 71 T CB 0.385 69.272 68.868 0.032 0.000 1.090 71 T HN 0.139 nan 8.240 nan 0.000 0.503 72 V N 3.768 123.710 119.914 0.046 0.000 2.370 72 V HA 0.531 4.651 4.120 -0.000 0.000 0.283 72 V C -0.285 175.810 176.094 0.001 0.000 1.023 72 V CA -0.763 61.559 62.300 0.037 0.000 0.857 72 V CB 1.223 33.093 31.823 0.078 0.000 0.985 72 V HN 0.396 nan 8.190 nan 0.000 0.443 73 M N 4.058 123.639 119.600 -0.031 0.000 2.409 73 M HA 0.477 4.957 4.480 -0.000 0.000 0.329 73 M C 0.508 176.786 176.300 -0.037 0.000 1.180 73 M CA -0.133 55.117 55.300 -0.083 0.000 1.053 73 M CB 1.751 34.244 32.600 -0.177 0.000 1.586 73 M HN 0.875 nan 8.290 nan 0.000 0.461 74 T N -1.673 112.859 114.554 -0.036 0.000 2.898 74 T HA 0.373 4.723 4.350 -0.000 0.000 0.283 74 T C 1.000 175.708 174.700 0.014 0.000 1.059 74 T CA -0.401 61.692 62.100 -0.011 0.000 0.958 74 T CB 0.938 69.795 68.868 -0.018 0.000 1.594 74 T HN 0.585 nan 8.240 nan 0.000 0.598 75 E N -0.177 120.020 120.200 -0.005 0.000 2.017 75 E HA -0.104 4.245 4.350 -0.000 0.000 0.193 75 E C 1.388 177.882 176.600 -0.177 0.000 0.997 75 E CA 1.819 58.163 56.400 -0.093 0.000 0.804 75 E CB -0.481 29.135 29.700 -0.141 0.000 0.757 75 E HN 0.749 nan 8.360 nan 0.000 0.448 76 Y N -0.969 119.357 120.300 0.043 0.000 2.498 76 Y HA 0.303 4.853 4.550 -0.000 0.000 0.259 76 Y C 0.822 176.777 175.900 0.090 0.000 1.086 76 Y CA -0.199 57.914 58.100 0.022 0.000 1.287 76 Y CB 0.674 39.053 38.460 -0.136 0.000 1.146 76 Y HN -0.178 nan 8.280 nan 0.000 0.523 77 K N -0.490 120.007 120.400 0.161 0.000 2.158 77 K HA 0.818 5.138 4.320 -0.000 0.000 0.243 77 K C 0.123 176.736 176.600 0.021 0.000 1.079 77 K CA -0.058 56.295 56.287 0.109 0.000 0.920 77 K CB 1.032 33.590 32.500 0.097 0.000 1.400 77 K HN 0.146 nan 8.250 nan 0.000 0.561 78 G N -0.431 108.379 108.800 0.016 0.000 2.334 78 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.315 78 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.315 78 G C -0.704 174.201 174.900 0.008 0.000 1.284 78 G CA -0.222 44.872 45.100 -0.010 0.000 0.985 78 G HN 0.262 nan 8.290 nan 0.000 0.504 79 S N -0.746 114.962 115.700 0.014 0.000 2.730 79 S HA 0.374 4.844 4.470 -0.000 0.000 0.244 79 S C 0.293 174.893 174.600 0.000 0.000 1.022 79 S CA 0.174 58.391 58.200 0.029 0.000 1.014 79 S CB 0.957 64.208 63.200 0.086 0.000 0.963 79 S HN 0.899 nan 8.310 nan 0.000 0.540 80 V N 5.020 124.936 119.914 0.003 0.000 2.408 80 V HA 0.251 4.370 4.120 -0.000 0.000 0.267 80 V C -2.104 174.007 176.094 0.028 0.000 1.047 80 V CA -1.771 60.535 62.300 0.010 0.000 0.937 80 V CB 0.587 32.425 31.823 0.024 0.000 0.999 80 V HN 0.132 nan 8.190 nan 0.000 0.472 81 P HA 0.097 nan 4.420 nan 0.000 0.225 81 P C -0.072 177.182 177.300 -0.078 0.000 1.768 81 P CA -0.297 62.739 63.100 -0.107 0.000 0.943 81 P CB -0.605 31.023 31.700 -0.120 0.000 1.936 82 F N -0.652 119.262 119.950 -0.061 0.000 2.485 82 F HA 0.270 4.796 4.527 -0.000 0.000 0.327 82 F C 0.472 176.274 175.800 0.003 0.000 1.203 82 F CA -0.868 57.121 58.000 -0.018 0.000 1.295 82 F CB -0.225 38.774 39.000 -0.001 0.000 1.191 82 F HN -0.128 nan 8.300 nan 0.000 0.588 83 N N 2.516 121.320 118.700 0.175 0.000 2.442 83 N HA 0.037 4.777 4.740 -0.000 0.000 0.265 83 N C 0.527 176.154 175.510 0.195 0.000 1.138 83 N CA -0.184 52.930 53.050 0.107 0.000 0.956 83 N CB 1.319 39.910 38.487 0.173 0.000 1.067 83 N HN 0.665 nan 8.380 nan 0.000 0.474 84 K N 1.241 121.651 120.400 0.017 0.000 2.288 84 K HA -0.081 4.239 4.320 -0.000 0.000 0.201 84 K C 1.230 178.047 176.600 0.361 0.000 1.048 84 K CA 0.679 57.041 56.287 0.126 0.000 0.956 84 K CB 0.138 32.612 32.500 -0.043 0.000 0.746 84 K HN 0.557 nan 8.250 nan 0.000 0.461 85 N N 0.668 119.562 118.700 0.323 0.000 2.412 85 N HA -0.104 4.635 4.740 -0.000 0.000 0.184 85 N C -0.247 175.392 175.510 0.215 0.000 1.101 85 N CA 0.510 53.714 53.050 0.257 0.000 0.881 85 N CB 0.164 38.790 38.487 0.231 0.000 0.969 85 N HN -0.065 nan 8.380 nan 0.000 0.459 86 D N 1.649 122.209 120.400 0.266 0.000 2.443 86 D HA 0.076 4.716 4.640 -0.000 0.000 0.221 86 D C -0.030 176.372 176.300 0.170 0.000 1.097 86 D CA -0.492 53.628 54.000 0.200 0.000 0.865 86 D CB 0.231 41.153 40.800 0.204 0.000 1.034 86 D HN 0.243 nan 8.370 nan 0.000 0.511 87 N N 3.137 121.893 118.700 0.094 0.000 2.238 87 N HA -0.008 4.732 4.740 -0.000 0.000 0.222 87 N C 0.500 175.999 175.510 -0.018 0.000 1.133 87 N CA -0.170 52.895 53.050 0.024 0.000 0.854 87 N CB 0.440 38.941 38.487 0.022 0.000 1.041 87 N HN 0.190 nan 8.380 nan 0.000 0.510 88 V N -0.030 119.888 119.914 0.008 0.000 2.627 88 V HA 0.119 4.239 4.120 -0.000 0.000 0.239 88 V C 0.497 176.589 176.094 -0.004 0.000 1.077 88 V CA 0.455 62.753 62.300 -0.003 0.000 1.103 88 V CB -0.326 31.505 31.823 0.014 0.000 0.802 88 V HN 0.276 nan 8.190 nan 0.000 0.482 89 N N 1.807 120.519 118.700 0.020 0.000 2.513 89 N HA 0.285 5.025 4.740 -0.000 0.000 0.274 89 N C -2.507 173.005 175.510 0.003 0.000 1.189 89 N CA -1.125 51.936 53.050 0.020 0.000 0.975 89 N CB 0.595 39.109 38.487 0.046 0.000 1.157 89 N HN 0.227 nan 8.380 nan 0.000 0.465 90 P HA 0.171 nan 4.420 nan 0.000 0.275 90 P C 0.119 177.426 177.300 0.012 0.000 1.266 90 P CA -0.422 62.670 63.100 -0.014 0.000 0.793 90 P CB 0.856 32.547 31.700 -0.016 0.000 1.074 91 L N 1.460 122.691 121.223 0.014 0.000 2.483 91 L HA 0.070 4.410 4.340 -0.000 0.000 0.276 91 L C -0.802 176.086 176.870 0.029 0.000 1.213 91 L CA -0.879 53.977 54.840 0.028 0.000 0.843 91 L CB -0.294 41.776 42.059 0.018 0.000 1.107 91 L HN 0.406 nan 8.230 nan 0.000 0.487 92 P HA 0.068 nan 4.420 nan 0.000 0.258 92 P C 0.522 177.894 177.300 0.120 0.000 1.416 92 P CA 0.123 63.266 63.100 0.072 0.000 0.927 92 P CB 0.458 32.184 31.700 0.043 0.000 1.444 93 E N 0.358 120.622 120.200 0.105 0.000 2.086 93 E HA 0.128 4.478 4.350 -0.000 0.000 0.190 93 E C 0.775 177.495 176.600 0.201 0.000 0.975 93 E CA 0.597 57.074 56.400 0.127 0.000 0.813 93 E CB 0.117 29.869 29.700 0.086 0.000 0.768 93 E HN 0.249 nan 8.360 nan 0.000 0.457 94 G N -1.347 107.549 108.800 0.160 0.000 2.949 94 G HA2 0.473 4.433 3.960 -0.000 0.000 0.285 94 G HA3 0.473 4.433 3.960 -0.000 0.000 0.285 94 G C -1.987 172.885 174.900 -0.046 0.000 1.395 94 G CA -0.562 44.637 45.100 0.164 0.000 0.901 94 G HN 0.192 nan 8.290 nan 0.000 0.519 95 Y N -0.767 119.298 120.300 -0.392 0.000 2.609 95 Y HA 0.367 4.917 4.550 -0.000 0.000 0.336 95 Y C 1.812 177.488 175.900 -0.374 0.000 1.129 95 Y CA -1.039 56.685 58.100 -0.625 0.000 1.040 95 Y CB 1.747 39.334 38.460 -1.455 0.000 1.310 95 Y HN 0.630 nan 8.280 nan 0.000 0.460 96 R N 0.374 120.287 120.500 -0.978 0.000 2.152 96 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 96 R C -0.724 175.163 176.300 -0.690 0.000 1.117 96 R CA 1.503 57.109 56.100 -0.824 0.000 0.981 96 R CB -0.516 29.189 30.300 -0.992 0.000 0.870 96 R HN 0.608 nan 8.270 nan 0.000 0.451 97 H N 0.452 119.228 119.070 -0.491 0.000 2.700 97 H HA 0.597 5.153 4.556 -0.000 0.000 0.269 97 H C -0.540 174.977 175.328 0.314 0.000 1.222 97 H CA -0.355 55.608 56.048 -0.141 0.000 1.254 97 H CB 1.370 30.814 29.762 -0.530 0.000 1.413 97 H HN 0.382 nan 8.280 nan 0.000 0.507 98 A N 2.526 125.673 122.820 0.545 0.000 2.527 98 A HA 0.473 4.793 4.320 -0.000 0.000 0.293 98 A C -0.929 176.923 177.584 0.447 0.000 1.117 98 A CA -1.036 51.340 52.037 0.565 0.000 0.723 98 A CB 1.532 20.768 19.000 0.394 0.000 1.313 98 A HN 0.667 nan 8.150 nan 0.000 0.411 99 Q N 1.331 121.324 119.800 0.323 0.000 2.466 99 Q HA 0.290 4.630 4.340 -0.000 0.000 0.242 99 Q C -1.964 174.071 176.000 0.060 0.000 1.046 99 Q CA -1.904 53.968 55.803 0.116 0.000 0.841 99 Q CB 1.667 30.452 28.738 0.078 0.000 1.193 99 Q HN 0.514 nan 8.270 nan 0.000 0.508 100 P HA -0.208 nan 4.420 nan 0.000 0.223 100 P C 0.043 177.251 177.300 -0.153 0.000 1.144 100 P CA 1.315 64.347 63.100 -0.112 0.000 0.783 100 P CB 0.173 31.724 31.700 -0.249 0.000 0.771 101 Y N -0.983 119.252 120.300 -0.108 0.000 2.524 101 Y HA 0.216 4.766 4.550 -0.000 0.000 0.266 101 Y C 2.231 178.009 175.900 -0.202 0.000 1.180 101 Y CA -0.532 57.475 58.100 -0.156 0.000 1.244 101 Y CB -0.064 38.267 38.460 -0.214 0.000 1.125 101 Y HN -0.209 nan 8.280 nan 0.000 0.524 102 L N -0.300 120.888 121.223 -0.059 0.000 2.056 102 L HA -0.225 4.115 4.340 -0.000 0.000 0.207 102 L C 2.042 178.832 176.870 -0.135 0.000 1.078 102 L CA 1.562 56.203 54.840 -0.333 0.000 0.749 102 L CB -0.311 41.628 42.059 -0.200 0.000 0.901 102 L HN 0.212 nan 8.230 nan 0.000 0.433 103 K N 0.088 120.567 120.400 0.131 0.000 2.097 103 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 103 K C 1.829 178.573 176.600 0.240 0.000 1.050 103 K CA 1.536 57.965 56.287 0.237 0.000 0.938 103 K CB -0.198 32.443 32.500 0.235 0.000 0.718 103 K HN 0.277 nan 8.250 nan 0.000 0.442 104 N N 1.054 119.876 118.700 0.203 0.000 2.058 104 N HA -0.133 4.607 4.740 -0.000 0.000 0.191 104 N C 1.666 177.458 175.510 0.470 0.000 1.037 104 N CA 1.107 54.331 53.050 0.290 0.000 0.848 104 N CB -0.186 38.370 38.487 0.115 0.000 1.021 104 N HN 0.039 nan 8.380 nan 0.000 0.422 105 L N -1.104 120.268 121.223 0.248 0.000 2.291 105 L HA -0.038 4.302 4.340 -0.000 0.000 0.214 105 L C 0.723 177.874 176.870 0.469 0.000 1.120 105 L CA 0.521 55.531 54.840 0.284 0.000 0.799 105 L CB -0.061 42.093 42.059 0.158 0.000 0.925 105 L HN 0.358 nan 8.230 nan 0.000 0.446 106 W N -0.153 121.401 121.300 0.422 0.000 3.015 106 W HA 0.306 4.966 4.660 -0.000 0.000 0.429 106 W C 0.049 176.617 176.519 0.083 0.000 0.976 106 W CA -1.571 55.920 57.345 0.244 0.000 2.086 106 W CB -0.546 28.963 29.460 0.081 0.000 1.125 106 W HN -0.075 nan 8.180 nan 0.000 0.721 107 L N 1.616 123.007 121.223 0.281 0.000 2.601 107 L HA 0.289 4.629 4.340 -0.000 0.000 0.277 107 L C 1.418 178.296 176.870 0.012 0.000 1.219 107 L CA 2.109 56.979 54.840 0.051 0.000 0.915 107 L CB 0.289 42.293 42.059 -0.091 0.000 1.160 107 L HN 0.475 nan 8.230 nan 0.000 0.494 108 G N 2.309 111.101 108.800 -0.014 0.000 2.143 108 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.249 108 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.249 108 G C -0.337 174.521 174.900 -0.070 0.000 0.981 108 G CA 0.225 45.340 45.100 0.025 0.000 0.665 108 G HN 0.692 nan 8.290 nan 0.000 0.528 109 Y N -0.074 119.918 120.300 -0.514 0.000 2.485 109 Y HA 0.602 5.152 4.550 -0.000 0.000 0.345 109 Y C -1.812 173.833 175.900 -0.426 0.000 0.998 109 Y CA -2.226 55.449 58.100 -0.709 0.000 1.059 109 Y CB 2.035 39.584 38.460 -1.517 0.000 1.234 109 Y HN -0.060 nan 8.280 nan 0.000 0.461 110 P HA -0.168 nan 4.420 nan 0.000 0.220 110 P C 0.953 178.057 177.300 -0.326 0.000 1.144 110 P CA 1.650 64.512 63.100 -0.398 0.000 0.800 110 P CB -0.029 31.415 31.700 -0.427 0.000 0.772 111 F N -0.865 118.788 119.950 -0.495 0.000 2.661 111 F HA 0.009 4.535 4.527 -0.000 0.000 0.298 111 F C 2.091 177.929 175.800 0.064 0.000 1.137 111 F CA 0.724 58.554 58.000 -0.284 0.000 1.454 111 F CB -0.942 37.586 39.000 -0.786 0.000 1.103 111 F HN -0.059 nan 8.300 nan 0.000 0.577 112 M N -2.429 117.221 119.600 0.084 0.000 2.557 112 M HA -0.086 4.394 4.480 -0.000 0.000 0.259 112 M C 0.988 177.288 176.300 0.001 0.000 1.086 112 M CA 1.690 57.038 55.300 0.081 0.000 1.096 112 M CB -0.739 31.834 32.600 -0.046 0.000 1.424 112 M HN 0.150 nan 8.290 nan 0.000 0.488 113 Y N 0.482 120.843 120.300 0.103 0.000 2.262 113 Y HA 0.317 4.867 4.550 -0.000 0.000 0.295 113 Y C 0.672 176.615 175.900 0.072 0.000 1.121 113 Y CA 0.080 58.213 58.100 0.056 0.000 1.144 113 Y CB 0.518 38.968 38.460 -0.016 0.000 1.043 113 Y HN 0.308 nan 8.280 nan 0.000 0.528 114 E N -1.018 119.306 120.200 0.207 0.000 2.381 114 E HA 0.253 4.603 4.350 -0.000 0.000 0.286 114 E C -2.239 174.462 176.600 0.169 0.000 0.960 114 E CA -0.725 55.771 56.400 0.159 0.000 0.793 114 E CB 1.894 31.644 29.700 0.084 0.000 1.225 114 E HN -0.005 nan 8.360 nan 0.000 0.420 115 Y N 3.487 123.828 120.300 0.069 0.000 2.262 115 Y HA 0.414 4.964 4.550 -0.000 0.000 0.317 115 Y C -1.890 174.066 175.900 0.092 0.000 1.230 115 Y CA -0.475 57.679 58.100 0.091 0.000 1.166 115 Y CB 0.805 39.462 38.460 0.329 0.000 1.254 115 Y HN 0.545 nan 8.280 nan 0.000 0.405 116 R N 2.633 122.925 120.500 -0.347 0.000 2.854 116 R HA 0.417 4.757 4.340 -0.000 0.000 0.271 116 R C -0.934 175.046 176.300 -0.533 0.000 0.996 116 R CA -1.479 54.381 56.100 -0.399 0.000 0.961 116 R CB 1.737 31.921 30.300 -0.194 0.000 1.182 116 R HN 0.652 nan 8.270 nan 0.000 0.479 117 E N 1.514 121.349 120.200 -0.608 0.000 2.415 117 E HA 0.097 4.447 4.350 -0.000 0.000 0.263 117 E C -0.809 175.664 176.600 -0.211 0.000 0.995 117 E CA 0.055 56.171 56.400 -0.474 0.000 0.915 117 E CB 0.719 30.022 29.700 -0.662 0.000 0.951 117 E HN 0.585 nan 8.360 nan 0.000 0.449 118 A N 5.321 128.089 122.820 -0.088 0.000 2.511 118 A HA 0.378 4.698 4.320 -0.000 0.000 0.242 118 A C 0.243 177.838 177.584 0.019 0.000 1.069 118 A CA 0.322 52.364 52.037 0.008 0.000 0.763 118 A CB 0.075 19.123 19.000 0.079 0.000 1.001 118 A HN 0.806 nan 8.150 nan 0.000 0.498 119 R N 1.690 122.220 120.500 0.050 0.000 3.150 119 R HA 0.742 5.082 4.340 -0.000 0.000 0.236 119 R C 0.524 176.925 176.300 0.170 0.000 1.469 119 R CA -0.349 55.799 56.100 0.079 0.000 1.045 119 R CB 0.036 30.338 30.300 0.005 0.000 1.481 119 R HN 0.771 nan 8.270 nan 0.000 0.506 120 G N -0.796 108.167 108.800 0.272 0.000 2.630 120 G HA2 0.027 3.987 3.960 -0.000 0.000 0.236 120 G HA3 0.027 3.987 3.960 -0.000 0.000 0.236 120 G C -0.069 175.009 174.900 0.296 0.000 1.248 120 G CA -0.325 44.934 45.100 0.266 0.000 0.844 120 G HN 0.743 nan 8.290 nan 0.000 0.588 121 H N -0.329 118.902 119.070 0.268 0.000 2.456 121 H HA -0.137 4.419 4.556 -0.000 0.000 0.296 121 H C 2.783 178.188 175.328 0.129 0.000 1.079 121 H CA 1.448 57.615 56.048 0.199 0.000 1.322 121 H CB 0.279 30.192 29.762 0.251 0.000 1.388 121 H HN 0.619 nan 8.280 nan 0.000 0.538 122 T N -1.598 113.016 114.554 0.100 0.000 2.977 122 T HA -0.182 4.168 4.350 -0.000 0.000 0.271 122 T C 1.114 175.699 174.700 -0.191 0.000 1.105 122 T CA 0.983 62.990 62.100 -0.155 0.000 1.116 122 T CB -0.303 68.282 68.868 -0.470 0.000 0.878 122 T HN 0.379 nan 8.240 nan 0.000 0.509 123 Y N 0.626 120.994 120.300 0.113 0.000 2.457 123 Y HA 0.665 5.215 4.550 -0.000 0.000 0.263 123 Y C 2.518 178.494 175.900 0.127 0.000 1.164 123 Y CA -0.717 57.449 58.100 0.109 0.000 1.274 123 Y CB -0.447 38.066 38.460 0.088 0.000 1.097 123 Y HN 0.273 nan 8.280 nan 0.000 0.523 124 A N 0.709 123.678 122.820 0.248 0.000 1.892 124 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 124 A C 2.102 179.790 177.584 0.174 0.000 1.188 124 A CA 2.110 54.255 52.037 0.179 0.000 0.631 124 A CB -0.810 18.252 19.000 0.102 0.000 0.822 124 A HN 0.485 nan 8.150 nan 0.000 0.447 125 I N -1.200 119.485 120.570 0.192 0.000 2.406 125 I HA -0.219 3.951 4.170 -0.000 0.000 0.249 125 I C 2.743 179.041 176.117 0.301 0.000 1.122 125 I CA 1.379 62.833 61.300 0.256 0.000 1.431 125 I CB -0.367 37.814 38.000 0.302 0.000 1.087 125 I HN 0.506 nan 8.210 nan 0.000 0.424 126 Q N 1.070 121.041 119.800 0.285 0.000 2.061 126 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 126 Q C 1.645 177.830 176.000 0.308 0.000 0.984 126 Q CA 2.043 58.032 55.803 0.311 0.000 0.846 126 Q CB 0.092 29.028 28.738 0.330 0.000 0.902 126 Q HN 0.431 nan 8.270 nan 0.000 0.421 127 D N -0.361 120.197 120.400 0.263 0.000 2.117 127 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 127 D C 1.530 177.935 176.300 0.174 0.000 0.982 127 D CA 0.621 54.737 54.000 0.194 0.000 0.828 127 D CB -0.365 40.527 40.800 0.155 0.000 0.967 127 D HN 0.218 nan 8.370 nan 0.000 0.464 128 F N 1.291 121.242 119.950 0.001 0.000 2.120 128 F HA -0.146 4.381 4.527 -0.000 0.000 0.300 128 F C 2.020 177.736 175.800 -0.139 0.000 1.095 128 F CA 1.214 59.144 58.000 -0.118 0.000 1.249 128 F CB -0.162 38.712 39.000 -0.211 0.000 0.995 128 F HN -0.082 nan 8.300 nan 0.000 0.480 129 L N -1.400 119.834 121.223 0.018 0.000 2.558 129 L HA -0.059 4.280 4.340 -0.000 0.000 0.225 129 L C 1.494 178.158 176.870 -0.342 0.000 1.128 129 L CA 0.356 55.100 54.840 -0.159 0.000 0.868 129 L CB -0.476 41.572 42.059 -0.018 0.000 1.006 129 L HN 0.213 nan 8.230 nan 0.000 0.454 130 H N -1.032 118.013 119.070 -0.042 0.000 2.827 130 H HA 0.230 4.786 4.556 -0.000 0.000 0.269 130 H C 0.359 175.643 175.328 -0.073 0.000 1.031 130 H CA -0.422 55.602 56.048 -0.040 0.000 1.202 130 H CB 1.241 31.005 29.762 0.002 0.000 1.511 130 H HN 0.119 nan 8.280 nan 0.000 0.517 131 I N 2.165 122.701 120.570 -0.058 0.000 2.618 131 I HA -0.122 4.048 4.170 -0.000 0.000 0.284 131 I C 1.319 177.356 176.117 -0.134 0.000 1.146 131 I CA 0.415 61.656 61.300 -0.098 0.000 1.425 131 I CB 0.782 38.694 38.000 -0.147 0.000 1.383 131 I HN -0.020 nan 8.210 nan 0.000 0.562 132 D N 4.850 125.209 120.400 -0.069 0.000 2.355 132 D HA -0.012 4.628 4.640 -0.000 0.000 0.218 132 D C 1.816 178.063 176.300 -0.088 0.000 1.004 132 D CA 0.821 54.784 54.000 -0.061 0.000 0.880 132 D CB 0.273 41.078 40.800 0.007 0.000 0.911 132 D HN 0.475 nan 8.370 nan 0.000 0.528 133 R N -0.255 120.179 120.500 -0.111 0.000 2.096 133 R HA 0.002 4.342 4.340 -0.000 0.000 0.235 133 R C 0.534 176.742 176.300 -0.153 0.000 1.127 133 R CA 0.578 56.601 56.100 -0.127 0.000 0.968 133 R CB -0.051 30.063 30.300 -0.309 0.000 0.861 133 R HN 0.267 nan 8.270 nan 0.000 0.440 134 I N 2.289 122.722 120.570 -0.229 0.000 2.441 134 I HA -0.017 4.152 4.170 -0.000 0.000 0.287 134 I C 0.330 176.346 176.117 -0.168 0.000 1.049 134 I CA -0.544 60.613 61.300 -0.239 0.000 1.381 134 I CB 0.667 38.426 38.000 -0.403 0.000 1.409 134 I HN -0.026 nan 8.210 nan 0.000 0.523 135 N N 5.849 124.486 118.700 -0.105 0.000 2.452 135 N HA 0.066 4.806 4.740 -0.000 0.000 0.266 135 N C 0.381 175.886 175.510 -0.008 0.000 1.209 135 N CA 0.458 53.492 53.050 -0.027 0.000 0.929 135 N CB 0.517 39.013 38.487 0.016 0.000 1.063 135 N HN 0.442 nan 8.380 nan 0.000 0.472 136 R N 2.801 123.291 120.500 -0.017 0.000 2.472 136 R HA 0.120 4.460 4.340 -0.000 0.000 0.279 136 R C -0.045 176.121 176.300 -0.223 0.000 0.953 136 R CA 0.141 56.191 56.100 -0.084 0.000 1.088 136 R CB 0.407 30.562 30.300 -0.241 0.000 1.197 136 R HN 0.571 nan 8.270 nan 0.000 0.536 137 Y N -0.224 120.089 120.300 0.022 0.000 2.607 137 Y HA 0.490 5.040 4.550 -0.000 0.000 0.266 137 Y C 0.510 176.411 175.900 0.001 0.000 1.178 137 Y CA -0.555 57.541 58.100 -0.007 0.000 1.226 137 Y CB 0.893 39.325 38.460 -0.046 0.000 1.144 137 Y HN -0.024 nan 8.280 nan 0.000 0.528 138 A N -0.555 122.349 122.820 0.141 0.000 2.594 138 A HA 0.519 4.839 4.320 -0.000 0.000 0.291 138 A C 0.619 178.293 177.584 0.151 0.000 1.105 138 A CA -0.557 51.541 52.037 0.103 0.000 0.694 138 A CB 1.094 20.149 19.000 0.092 0.000 1.291 138 A HN 0.069 nan 8.150 nan 0.000 0.410 139 E N 0.922 121.189 120.200 0.112 0.000 2.058 139 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 139 E C 0.263 177.031 176.600 0.280 0.000 0.997 139 E CA 1.699 58.219 56.400 0.199 0.000 0.801 139 E CB -0.075 29.674 29.700 0.082 0.000 0.746 139 E HN 0.511 nan 8.360 nan 0.000 0.450 140 K N -0.410 120.075 120.400 0.143 0.000 2.298 140 K HA 0.220 4.540 4.320 -0.000 0.000 0.280 140 K C 0.870 177.510 176.600 0.067 0.000 1.032 140 K CA 0.346 56.687 56.287 0.089 0.000 0.958 140 K CB 1.418 33.951 32.500 0.054 0.000 0.978 140 K HN 0.283 nan 8.250 nan 0.000 0.472 141 G N 0.909 109.717 108.800 0.013 0.000 2.683 141 G HA2 0.039 3.999 3.960 -0.000 0.000 0.213 141 G HA3 0.039 3.999 3.960 -0.000 0.000 0.213 141 G C 0.947 175.834 174.900 -0.022 0.000 1.142 141 G CA 0.463 45.540 45.100 -0.039 0.000 0.793 141 G HN 0.891 nan 8.290 nan 0.000 0.534 142 G N -0.882 107.923 108.800 0.009 0.000 2.162 142 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 142 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 142 G C 0.177 175.099 174.900 0.037 0.000 0.976 142 G CA 0.569 45.685 45.100 0.027 0.000 0.655 142 G HN 0.525 nan 8.290 nan 0.000 0.533 143 L N 1.183 122.421 121.223 0.025 0.000 2.341 143 L HA 0.592 4.931 4.340 -0.000 0.000 0.267 143 L C -1.891 175.020 176.870 0.068 0.000 1.009 143 L CA -2.637 52.241 54.840 0.064 0.000 0.819 143 L CB 2.505 44.583 42.059 0.032 0.000 1.323 143 L HN -0.114 nan 8.230 nan 0.000 0.425 144 P HA 0.070 nan 4.420 nan 0.000 0.274 144 P C -0.108 177.206 177.300 0.024 0.000 1.246 144 P CA -0.376 62.739 63.100 0.025 0.000 0.795 144 P CB 0.966 32.643 31.700 -0.039 0.000 1.006 145 A N 1.370 124.157 122.820 -0.056 0.000 2.216 145 A HA -0.081 4.239 4.320 -0.000 0.000 0.214 145 A C 1.815 179.469 177.584 0.116 0.000 1.160 145 A CA 1.472 53.471 52.037 -0.062 0.000 0.725 145 A CB -1.658 16.884 19.000 -0.764 0.000 0.784 145 A HN 0.586 nan 8.150 nan 0.000 0.472 146 T N -0.935 113.665 114.554 0.078 0.000 2.929 146 T HA -0.172 4.178 4.350 -0.000 0.000 0.271 146 T C 1.697 176.488 174.700 0.150 0.000 1.085 146 T CA 1.356 63.548 62.100 0.155 0.000 1.125 146 T CB -0.735 67.810 68.868 -0.540 0.000 0.874 146 T HN 0.621 nan 8.240 nan 0.000 0.494 147 C N 0.188 119.588 119.300 0.167 0.000 2.410 147 C HA -0.088 4.372 4.460 -0.000 0.000 0.281 147 C C 2.175 177.165 174.990 -0.001 0.000 1.318 147 C CA -0.144 59.006 59.018 0.221 0.000 1.776 147 C CB -1.584 26.331 27.740 0.290 0.000 1.942 147 C HN 0.733 nan 8.230 nan 0.000 0.508 148 W N 0.926 122.296 121.300 0.117 0.000 2.678 148 W HA 0.004 4.663 4.660 -0.000 0.000 0.256 148 W C 2.220 178.721 176.519 -0.030 0.000 1.280 148 W CA 0.777 58.093 57.345 -0.049 0.000 1.345 148 W CB -0.725 28.871 29.460 0.227 0.000 1.118 148 W HN 0.379 nan 8.180 nan 0.000 0.629 149 N N -0.099 118.761 118.700 0.267 0.000 2.091 149 N HA -0.194 4.546 4.740 -0.000 0.000 0.193 149 N C 0.716 176.248 175.510 0.037 0.000 1.021 149 N CA 1.816 54.984 53.050 0.197 0.000 0.862 149 N CB -0.340 38.297 38.487 0.250 0.000 1.018 149 N HN -0.027 nan 8.380 nan 0.000 0.429 150 C N -0.108 119.168 119.300 -0.040 0.000 2.647 150 C HA 0.417 4.877 4.460 -0.000 0.000 0.296 150 C C 1.056 175.949 174.990 -0.162 0.000 1.403 150 C CA -0.700 58.249 59.018 -0.113 0.000 1.781 150 C CB -0.516 27.137 27.740 -0.144 0.000 2.464 150 C HN 0.292 nan 8.230 nan 0.000 0.559 151 K N 0.286 120.599 120.400 -0.146 0.000 2.425 151 K HA 0.190 4.510 4.320 -0.000 0.000 0.201 151 K C 0.439 177.001 176.600 -0.063 0.000 1.128 151 K CA 0.560 56.749 56.287 -0.163 0.000 1.000 151 K CB 0.883 33.147 32.500 -0.394 0.000 0.961 151 K HN 0.363 nan 8.250 nan 0.000 0.555 152 T N 1.534 116.049 114.554 -0.065 0.000 3.193 152 T HA 0.225 4.575 4.350 -0.000 0.000 0.332 152 T C -2.654 171.917 174.700 -0.215 0.000 1.208 152 T CA -1.270 60.767 62.100 -0.106 0.000 1.080 152 T CB 1.803 70.611 68.868 -0.100 0.000 1.180 152 T HN -0.219 nan 8.240 nan 0.000 0.469 153 P HA 0.029 nan 4.420 nan 0.000 0.231 153 P C 1.010 178.077 177.300 -0.390 0.000 1.158 153 P CA 0.450 63.408 63.100 -0.237 0.000 0.763 153 P CB 0.274 31.885 31.700 -0.149 0.000 0.805 154 K N -0.360 119.681 120.400 -0.599 0.000 2.362 154 K HA -0.021 4.299 4.320 -0.000 0.000 0.200 154 K C 2.069 177.915 176.600 -1.257 0.000 1.046 154 K CA 0.793 56.438 56.287 -1.070 0.000 0.952 154 K CB -0.651 30.963 32.500 -1.477 0.000 0.753 154 K HN -0.116 nan 8.250 nan 0.000 0.466 155 M N -0.158 118.951 119.600 -0.817 0.000 2.192 155 M HA -0.226 4.254 4.480 -0.000 0.000 0.259 155 M C 1.864 177.851 176.300 -0.521 0.000 1.071 155 M CA 1.710 56.661 55.300 -0.582 0.000 1.082 155 M CB -0.643 31.763 32.600 -0.323 0.000 1.373 155 M HN 0.302 nan 8.290 nan 0.000 0.408 156 M N -0.481 118.864 119.600 -0.426 0.000 2.132 156 M HA -0.204 4.276 4.480 -0.000 0.000 0.263 156 M C 1.933 178.052 176.300 -0.303 0.000 1.065 156 M CA 1.560 56.675 55.300 -0.309 0.000 1.122 156 M CB -0.370 32.097 32.600 -0.222 0.000 1.365 156 M HN 0.281 nan 8.290 nan 0.000 0.411 157 E N -0.531 119.448 120.200 -0.368 0.000 2.072 157 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 157 E C 1.876 178.387 176.600 -0.149 0.000 0.985 157 E CA 1.057 57.300 56.400 -0.261 0.000 0.801 157 E CB -0.273 29.242 29.700 -0.309 0.000 0.750 157 E HN 0.553 nan 8.360 nan 0.000 0.452 158 W N 1.117 122.166 121.300 -0.417 0.000 2.381 158 W HA -0.072 4.588 4.660 -0.000 0.000 0.301 158 W C 2.285 178.449 176.519 -0.591 0.000 1.205 158 W CA 0.315 57.349 57.345 -0.517 0.000 1.285 158 W CB -0.977 27.939 29.460 -0.906 0.000 1.133 158 W HN -0.073 nan 8.180 nan 0.000 0.521 159 V N 0.502 120.107 119.914 -0.516 0.000 2.379 159 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 159 V C 2.378 178.344 176.094 -0.214 0.000 1.044 159 V CA 2.024 64.041 62.300 -0.471 0.000 1.036 159 V CB -0.879 30.641 31.823 -0.504 0.000 0.664 159 V HN 0.076 nan 8.190 nan 0.000 0.453 160 K N 0.358 120.658 120.400 -0.166 0.000 2.089 160 K HA -0.309 4.011 4.320 -0.000 0.000 0.210 160 K C 2.197 178.765 176.600 -0.052 0.000 1.048 160 K CA 2.375 58.607 56.287 -0.092 0.000 0.926 160 K CB -0.125 32.323 32.500 -0.088 0.000 0.714 160 K HN 0.652 nan 8.250 nan 0.000 0.448 161 E N -0.606 119.574 120.200 -0.034 0.000 2.046 161 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 161 E C 1.044 177.655 176.600 0.018 0.000 0.982 161 E CA 1.496 57.904 56.400 0.013 0.000 0.800 161 E CB 0.159 29.899 29.700 0.067 0.000 0.756 161 E HN 0.218 nan 8.360 nan 0.000 0.449 162 S N -0.371 115.341 115.700 0.019 0.000 2.523 162 S HA 0.309 4.779 4.470 -0.000 0.000 0.217 162 S C 0.790 175.396 174.600 0.009 0.000 0.996 162 S CA 0.057 58.280 58.200 0.038 0.000 0.921 162 S CB 0.906 64.172 63.200 0.109 0.000 0.829 162 S HN 0.627 nan 8.310 nan 0.000 0.495 163 G N 3.094 111.876 108.800 -0.030 0.000 2.614 163 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.303 163 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.303 163 G C 0.243 175.144 174.900 0.001 0.000 1.270 163 G CA 0.666 45.756 45.100 -0.016 0.000 0.988 163 G HN 0.346 nan 8.290 nan 0.000 0.551 164 D N 1.100 121.556 120.400 0.094 0.000 2.265 164 D HA 0.002 4.642 4.640 -0.000 0.000 0.208 164 D C 2.404 178.817 176.300 0.188 0.000 0.977 164 D CA 1.691 55.818 54.000 0.211 0.000 0.871 164 D CB -0.797 40.110 40.800 0.178 0.000 0.925 164 D HN 0.667 nan 8.370 nan 0.000 0.485 165 G N -0.638 108.212 108.800 0.083 0.000 2.813 165 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.209 165 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.209 165 G C 1.238 176.143 174.900 0.008 0.000 1.150 165 G CA -0.282 44.855 45.100 0.062 0.000 0.785 165 G HN 0.214 nan 8.290 nan 0.000 0.535 166 F N 0.745 120.547 119.950 -0.247 0.000 2.075 166 F HA -0.045 4.482 4.527 -0.000 0.000 0.297 166 F C 2.266 177.910 175.800 -0.261 0.000 1.113 166 F CA 1.445 59.222 58.000 -0.371 0.000 1.218 166 F CB -0.248 38.322 39.000 -0.717 0.000 0.984 166 F HN 0.243 nan 8.300 nan 0.000 0.472 167 W N 0.509 121.801 121.300 -0.013 0.000 2.318 167 W HA -0.147 4.513 4.660 -0.000 0.000 0.313 167 W C 2.499 178.886 176.519 -0.220 0.000 1.221 167 W CA 1.206 58.472 57.345 -0.131 0.000 1.266 167 W CB -1.104 28.340 29.460 -0.027 0.000 1.150 167 W HN 0.098 nan 8.180 nan 0.000 0.496 168 A N 0.141 123.018 122.820 0.095 0.000 2.238 168 A HA 0.044 4.364 4.320 -0.000 0.000 0.208 168 A C 0.898 178.464 177.584 -0.029 0.000 1.177 168 A CA 0.134 52.196 52.037 0.040 0.000 0.804 168 A CB -0.581 18.465 19.000 0.077 0.000 0.823 168 A HN 0.139 nan 8.150 nan 0.000 0.482 169 K N 0.770 121.099 120.400 -0.119 0.000 2.380 169 K HA 0.094 4.414 4.320 -0.000 0.000 0.267 169 K C -0.464 176.091 176.600 -0.074 0.000 0.990 169 K CA -0.131 56.086 56.287 -0.117 0.000 0.946 169 K CB 0.339 32.741 32.500 -0.164 0.000 0.937 169 K HN 0.335 nan 8.250 nan 0.000 0.491 170 D N 0.840 121.215 120.400 -0.042 0.000 2.414 170 D HA -0.066 4.574 4.640 -0.000 0.000 0.242 170 D C 1.004 177.332 176.300 0.046 0.000 1.129 170 D CA 0.036 54.034 54.000 -0.004 0.000 0.885 170 D CB 1.187 41.983 40.800 -0.006 0.000 1.198 170 D HN 0.207 nan 8.370 nan 0.000 0.437 171 V N 4.090 124.057 119.914 0.088 0.000 2.380 171 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 171 V C 1.356 177.624 176.094 0.289 0.000 1.063 171 V CA 1.929 64.374 62.300 0.241 0.000 1.055 171 V CB -0.584 31.280 31.823 0.068 0.000 0.657 171 V HN 0.593 nan 8.190 nan 0.000 0.455 172 N N 0.191 118.907 118.700 0.026 0.000 2.550 172 N HA -0.085 4.655 4.740 -0.000 0.000 0.186 172 N C 1.617 177.053 175.510 -0.124 0.000 1.110 172 N CA 0.978 53.940 53.050 -0.147 0.000 0.912 172 N CB -0.235 38.093 38.487 -0.266 0.000 0.968 172 N HN 0.669 nan 8.380 nan 0.000 0.448 173 E N -0.881 119.245 120.200 -0.123 0.000 2.204 173 E HA -0.072 4.277 4.350 -0.000 0.000 0.194 173 E C 0.260 176.468 176.600 -0.653 0.000 0.989 173 E CA 0.768 56.935 56.400 -0.388 0.000 0.824 173 E CB -0.032 29.323 29.700 -0.575 0.000 0.756 173 E HN 0.407 nan 8.360 nan 0.000 0.477 174 F N -0.470 119.294 119.950 -0.310 0.000 2.653 174 F HA 0.243 4.770 4.527 -0.000 0.000 0.304 174 F C 1.959 177.593 175.800 -0.277 0.000 1.092 174 F CA -0.333 57.324 58.000 -0.572 0.000 1.279 174 F CB 0.285 38.408 39.000 -1.462 0.000 1.044 174 F HN -0.173 nan 8.300 nan 0.000 0.564 175 R N 1.272 121.807 120.500 0.059 0.000 2.115 175 R HA -0.142 4.197 4.340 -0.000 0.000 0.230 175 R C 0.892 177.240 176.300 0.079 0.000 1.111 175 R CA 2.098 58.263 56.100 0.109 0.000 0.976 175 R CB -0.192 29.854 30.300 -0.424 0.000 0.870 175 R HN 0.250 nan 8.270 nan 0.000 0.445 176 D N -0.896 119.538 120.400 0.057 0.000 2.424 176 D HA 0.012 4.652 4.640 -0.000 0.000 0.220 176 D C -0.055 176.318 176.300 0.122 0.000 1.150 176 D CA -0.002 54.084 54.000 0.144 0.000 0.831 176 D CB 0.344 41.284 40.800 0.234 0.000 0.981 176 D HN 0.164 nan 8.370 nan 0.000 0.500 177 K N 0.505 120.968 120.400 0.105 0.000 2.861 177 K HA 0.404 4.724 4.320 -0.000 0.000 0.210 177 K C -0.436 176.304 176.600 0.233 0.000 1.112 177 K CA -0.223 56.150 56.287 0.144 0.000 1.076 177 K CB 1.098 33.656 32.500 0.096 0.000 0.853 177 K HN 0.163 nan 8.250 nan 0.000 0.463 178 I N -0.316 120.388 120.570 0.223 0.000 2.918 178 I HA 0.165 4.335 4.170 -0.000 0.000 0.301 178 I C -1.866 174.439 176.117 0.313 0.000 1.312 178 I CA -0.724 60.737 61.300 0.267 0.000 1.007 178 I CB 2.491 40.617 38.000 0.209 0.000 1.281 178 I HN -0.072 nan 8.210 nan 0.000 0.440 179 D N 6.833 127.494 120.400 0.435 0.000 2.373 179 D HA 0.284 4.924 4.640 -0.000 0.000 0.227 179 D C 0.915 177.317 176.300 0.169 0.000 1.091 179 D CA -0.257 53.856 54.000 0.189 0.000 0.840 179 D CB 1.511 42.267 40.800 -0.073 0.000 1.060 179 D HN 0.575 nan 8.370 nan 0.000 0.502 180 M N 2.892 122.601 119.600 0.182 0.000 2.192 180 M HA -0.243 4.237 4.480 -0.000 0.000 0.259 180 M C 1.774 178.160 176.300 0.142 0.000 1.071 180 M CA 1.742 57.158 55.300 0.193 0.000 1.082 180 M CB 0.179 32.892 32.600 0.189 0.000 1.373 180 M HN 0.311 nan 8.290 nan 0.000 0.408 181 K N -0.954 119.499 120.400 0.087 0.000 2.306 181 K HA -0.057 4.263 4.320 -0.000 0.000 0.200 181 K C 1.326 177.960 176.600 0.055 0.000 1.083 181 K CA 0.669 56.996 56.287 0.066 0.000 0.959 181 K CB 0.277 32.807 32.500 0.050 0.000 0.994 181 K HN -0.034 nan 8.250 nan 0.000 0.492 182 D N -0.072 120.299 120.400 -0.049 0.000 2.289 182 D HA -0.026 4.614 4.640 -0.000 0.000 0.207 182 D C 0.538 176.742 176.300 -0.161 0.000 0.966 182 D CA 0.977 54.896 54.000 -0.136 0.000 0.868 182 D CB 0.287 40.902 40.800 -0.309 0.000 0.943 182 D HN 0.373 nan 8.370 nan 0.000 0.514 183 H N -1.550 117.560 119.070 0.066 0.000 2.672 183 H HA 0.202 4.758 4.556 -0.000 0.000 0.277 183 H C 0.322 175.660 175.328 0.017 0.000 1.074 183 H CA -0.135 55.918 56.048 0.010 0.000 1.173 183 H CB 0.580 30.317 29.762 -0.041 0.000 1.558 183 H HN -0.050 nan 8.280 nan 0.000 0.539 184 T N -0.033 114.615 114.554 0.157 0.000 2.748 184 T HA 0.102 4.452 4.350 -0.000 0.000 0.304 184 T C 0.794 175.539 174.700 0.074 0.000 1.041 184 T CA -0.701 61.475 62.100 0.127 0.000 1.033 184 T CB 1.055 70.012 68.868 0.148 0.000 0.995 184 T HN 0.110 nan 8.240 nan 0.000 0.536 185 I N 2.206 122.784 120.570 0.013 0.000 3.214 185 I HA 0.186 4.356 4.170 -0.000 0.000 0.332 185 I C 1.226 177.350 176.117 0.012 0.000 1.225 185 I CA 0.994 62.243 61.300 -0.085 0.000 1.453 185 I CB -0.966 36.883 38.000 -0.251 0.000 1.321 185 I HN 0.979 nan 8.210 nan 0.000 0.518 186 G N 3.976 112.708 108.800 -0.112 0.000 2.664 186 G HA2 0.243 4.202 3.960 -0.000 0.000 0.303 186 G HA3 0.243 4.202 3.960 -0.000 0.000 0.303 186 G C 0.384 175.095 174.900 -0.314 0.000 1.243 186 G CA -0.050 44.908 45.100 -0.237 0.000 0.826 186 G HN 0.543 nan 8.290 nan 0.000 0.498 187 C N 0.761 119.747 119.300 -0.524 0.000 2.413 187 C HA 0.176 4.636 4.460 -0.000 0.000 0.276 187 C C 3.346 178.082 174.990 -0.422 0.000 1.248 187 C CA 1.786 60.418 59.018 -0.644 0.000 1.742 187 C CB -1.370 25.451 27.740 -1.531 0.000 2.017 187 C HN 0.824 nan 8.230 nan 0.000 0.481 188 A N 0.468 123.075 122.820 -0.355 0.000 2.119 188 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 188 A C 2.099 179.618 177.584 -0.108 0.000 1.153 188 A CA 1.884 53.864 52.037 -0.095 0.000 0.692 188 A CB -0.913 18.120 19.000 0.055 0.000 0.799 188 A HN 0.575 nan 8.150 nan 0.000 0.458 189 T N -0.894 113.565 114.554 -0.159 0.000 2.685 189 T HA -0.226 4.123 4.350 -0.000 0.000 0.268 189 T C 1.557 176.149 174.700 -0.180 0.000 1.034 189 T CA 1.962 63.956 62.100 -0.177 0.000 1.149 189 T CB -0.419 68.313 68.868 -0.226 0.000 0.860 189 T HN 0.617 nan 8.240 nan 0.000 0.449 190 C N -0.678 118.495 119.300 -0.211 0.000 3.403 190 C HA 0.300 4.760 4.460 -0.000 0.000 0.317 190 C C 0.532 175.284 174.990 -0.397 0.000 1.346 190 C CA -0.732 58.103 59.018 -0.304 0.000 1.743 190 C CB -0.212 27.296 27.740 -0.387 0.000 2.308 190 C HN 0.512 nan 8.230 nan 0.000 0.675 191 H N 1.231 120.241 119.070 -0.101 0.000 2.495 191 H HA 0.267 4.823 4.556 -0.000 0.000 0.348 191 H C -1.296 174.029 175.328 -0.005 0.000 1.113 191 H CA -0.241 55.767 56.048 -0.068 0.000 1.195 191 H CB 1.307 30.993 29.762 -0.127 0.000 1.521 191 H HN 0.222 nan 8.280 nan 0.000 0.509 192 D N 4.052 124.540 120.400 0.146 0.000 2.382 192 D HA 0.028 4.668 4.640 -0.000 0.000 0.259 192 D C -1.485 174.933 176.300 0.197 0.000 1.224 192 D CA -1.185 52.895 54.000 0.134 0.000 0.894 192 D CB 1.191 42.052 40.800 0.101 0.000 1.127 192 D HN 0.199 nan 8.370 nan 0.000 0.487 193 P HA -0.150 nan 4.420 nan 0.000 0.220 193 P C 0.707 178.093 177.300 0.144 0.000 1.148 193 P CA 1.179 64.447 63.100 0.281 0.000 0.803 193 P CB 0.191 31.993 31.700 0.170 0.000 0.782 194 Q N -1.363 118.503 119.800 0.110 0.000 2.165 194 Q HA -0.021 4.319 4.340 -0.000 0.000 0.197 194 Q C 1.880 177.961 176.000 0.136 0.000 0.952 194 Q CA 1.896 57.753 55.803 0.091 0.000 0.848 194 Q CB -0.482 28.294 28.738 0.062 0.000 0.931 194 Q HN 0.337 nan 8.270 nan 0.000 0.470 195 T N -3.107 111.535 114.554 0.147 0.000 2.990 195 T HA 0.145 4.495 4.350 -0.000 0.000 0.250 195 T C 1.046 175.872 174.700 0.211 0.000 1.041 195 T CA -0.081 62.128 62.100 0.182 0.000 1.010 195 T CB 0.462 69.416 68.868 0.144 0.000 1.003 195 T HN 0.048 nan 8.240 nan 0.000 0.499 196 M N 0.974 120.658 119.600 0.141 0.000 2.907 196 M HA -0.156 4.324 4.480 -0.000 0.000 0.186 196 M C 0.080 176.497 176.300 0.194 0.000 0.631 196 M CA 0.929 56.252 55.300 0.038 0.000 0.700 196 M CB -2.674 29.671 32.600 -0.425 0.000 2.523 196 M HN 0.867 nan 8.290 nan 0.000 0.323 197 E N 1.197 121.507 120.200 0.184 0.000 2.398 197 E HA 0.457 4.807 4.350 -0.000 0.000 0.263 197 E C -0.044 176.619 176.600 0.105 0.000 1.046 197 E CA -0.555 55.938 56.400 0.155 0.000 0.908 197 E CB 0.903 30.674 29.700 0.119 0.000 0.963 197 E HN 0.528 nan 8.360 nan 0.000 0.431 198 L N 2.363 123.611 121.223 0.042 0.000 2.456 198 L HA 0.216 4.556 4.340 -0.000 0.000 0.272 198 L C 0.862 177.701 176.870 -0.052 0.000 1.189 198 L CA 0.261 55.054 54.840 -0.079 0.000 0.846 198 L CB 0.296 42.311 42.059 -0.073 0.000 1.111 198 L HN 0.582 nan 8.230 nan 0.000 0.475 199 R N 2.793 123.235 120.500 -0.097 0.000 2.673 199 R HA 0.551 4.891 4.340 -0.000 0.000 0.281 199 R C -1.274 174.983 176.300 -0.072 0.000 0.991 199 R CA -0.889 55.175 56.100 -0.060 0.000 0.896 199 R CB 2.237 32.506 30.300 -0.052 0.000 1.201 199 R HN 0.476 nan 8.270 nan 0.000 0.457 200 I N 2.106 122.650 120.570 -0.044 0.000 2.312 200 I HA 0.122 4.292 4.170 -0.000 0.000 0.290 200 I C 1.406 177.495 176.117 -0.047 0.000 1.008 200 I CA 0.015 61.289 61.300 -0.043 0.000 1.226 200 I CB 1.895 39.886 38.000 -0.015 0.000 1.371 200 I HN 0.738 nan 8.210 nan 0.000 0.468 201 T N -0.014 114.501 114.554 -0.065 0.000 3.044 201 T HA 0.070 4.420 4.350 -0.000 0.000 0.250 201 T C 0.974 175.635 174.700 -0.064 0.000 1.081 201 T CA -0.236 61.822 62.100 -0.070 0.000 1.040 201 T CB 0.160 68.972 68.868 -0.093 0.000 0.962 201 T HN 0.423 nan 8.240 nan 0.000 0.506 202 S N 0.779 116.446 115.700 -0.054 0.000 2.546 202 S HA 0.195 4.665 4.470 -0.000 0.000 0.290 202 S C 1.392 175.952 174.600 -0.068 0.000 1.290 202 S CA -0.509 57.663 58.200 -0.046 0.000 1.069 202 S CB 0.529 63.718 63.200 -0.019 0.000 0.846 202 S HN 0.221 nan 8.310 nan 0.000 0.495 203 V N 7.598 127.477 119.914 -0.058 0.000 2.255 203 V HA -0.023 4.097 4.120 -0.000 0.000 0.243 203 V C -0.691 175.249 176.094 -0.258 0.000 1.038 203 V CA 1.440 63.692 62.300 -0.080 0.000 1.008 203 V CB -1.304 30.570 31.823 0.086 0.000 0.645 203 V HN 0.770 nan 8.190 nan 0.000 0.449 204 P HA -0.124 nan 4.420 nan 0.000 0.221 204 P C 1.883 178.604 177.300 -0.966 0.000 1.150 204 P CA 1.203 63.778 63.100 -0.876 0.000 0.800 204 P CB 0.046 30.933 31.700 -1.356 0.000 0.787 205 L N -0.188 120.682 121.223 -0.588 0.000 2.109 205 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 205 L C 2.195 179.037 176.870 -0.047 0.000 1.086 205 L CA 2.032 56.779 54.840 -0.155 0.000 0.760 205 L CB -1.529 40.611 42.059 0.135 0.000 0.910 205 L HN -0.114 nan 8.230 nan 0.000 0.437 206 T N -0.562 113.937 114.554 -0.092 0.000 2.746 206 T HA -0.153 4.196 4.350 -0.000 0.000 0.267 206 T C 1.445 176.101 174.700 -0.074 0.000 1.039 206 T CA 1.474 63.542 62.100 -0.053 0.000 1.142 206 T CB -0.324 68.510 68.868 -0.055 0.000 0.866 206 T HN 0.354 nan 8.240 nan 0.000 0.444 207 D N 0.222 120.537 120.400 -0.143 0.000 2.104 207 D HA -0.101 4.538 4.640 -0.000 0.000 0.194 207 D C 1.688 177.924 176.300 -0.107 0.000 0.994 207 D CA 1.090 55.003 54.000 -0.146 0.000 0.830 207 D CB -0.489 40.174 40.800 -0.228 0.000 0.959 207 D HN 0.496 nan 8.370 nan 0.000 0.452 208 Y N 1.149 121.321 120.300 -0.213 0.000 2.181 208 Y HA -0.161 4.389 4.550 -0.000 0.000 0.288 208 Y C 2.193 178.111 175.900 0.030 0.000 1.146 208 Y CA 1.309 59.353 58.100 -0.093 0.000 1.164 208 Y CB -0.253 38.152 38.460 -0.091 0.000 0.982 208 Y HN -0.075 nan 8.280 nan 0.000 0.515 209 L N -1.227 119.964 121.223 -0.053 0.000 2.027 209 L HA -0.211 4.129 4.340 -0.000 0.000 0.206 209 L C 2.406 179.200 176.870 -0.128 0.000 1.074 209 L CA 1.071 55.865 54.840 -0.077 0.000 0.745 209 L CB -0.830 41.270 42.059 0.069 0.000 0.898 209 L HN 0.105 nan 8.230 nan 0.000 0.433 210 V N 0.149 120.009 119.914 -0.091 0.000 2.250 210 V HA -0.367 3.753 4.120 -0.000 0.000 0.250 210 V C 2.752 178.782 176.094 -0.107 0.000 1.060 210 V CA 2.267 64.520 62.300 -0.078 0.000 1.030 210 V CB -0.841 30.946 31.823 -0.060 0.000 0.643 210 V HN 0.692 nan 8.190 nan 0.000 0.445 211 S N -0.544 115.066 115.700 -0.151 0.000 2.462 211 S HA -0.246 4.224 4.470 -0.000 0.000 0.243 211 S C 1.628 176.122 174.600 -0.175 0.000 1.003 211 S CA 1.435 59.545 58.200 -0.150 0.000 0.970 211 S CB -0.305 62.805 63.200 -0.149 0.000 0.762 211 S HN 0.676 nan 8.310 nan 0.000 0.510 212 Q N 0.132 119.791 119.800 -0.236 0.000 2.247 212 Q HA 0.298 4.637 4.340 -0.000 0.000 0.204 212 Q C 1.287 177.241 176.000 -0.076 0.000 0.872 212 Q CA 0.537 56.236 55.803 -0.173 0.000 0.951 212 Q CB 0.308 28.895 28.738 -0.252 0.000 1.099 212 Q HN 0.767 nan 8.270 nan 0.000 0.501 213 G N 1.862 110.623 108.800 -0.065 0.000 2.160 213 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.251 213 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.251 213 G C -0.097 174.794 174.900 -0.014 0.000 1.008 213 G CA 0.289 45.371 45.100 -0.030 0.000 0.724 213 G HN 0.217 nan 8.290 nan 0.000 0.514 214 K N 0.331 120.719 120.400 -0.019 0.000 2.156 214 K HA 0.366 4.686 4.320 -0.000 0.000 0.271 214 K C -0.801 175.806 176.600 0.011 0.000 0.995 214 K CA -0.836 55.457 56.287 0.010 0.000 0.890 214 K CB 1.263 33.782 32.500 0.032 0.000 1.073 214 K HN 0.103 nan 8.250 nan 0.000 0.454 215 D N 3.716 124.129 120.400 0.021 0.000 2.339 215 D HA 0.122 4.762 4.640 -0.000 0.000 0.241 215 D C -1.852 174.464 176.300 0.027 0.000 1.183 215 D CA -2.269 51.743 54.000 0.019 0.000 0.859 215 D CB 1.487 42.299 40.800 0.020 0.000 1.067 215 D HN 0.157 nan 8.370 nan 0.000 0.484 216 P HA -0.024 nan 4.420 nan 0.000 0.226 216 P C 0.581 177.895 177.300 0.024 0.000 1.153 216 P CA 0.882 63.998 63.100 0.027 0.000 0.777 216 P CB 0.351 32.060 31.700 0.015 0.000 0.794 217 K N -0.787 119.626 120.400 0.021 0.000 2.393 217 K HA 0.121 4.441 4.320 -0.000 0.000 0.193 217 K C 0.823 177.440 176.600 0.029 0.000 1.026 217 K CA 0.415 56.716 56.287 0.023 0.000 1.064 217 K CB 0.287 32.798 32.500 0.019 0.000 0.833 217 K HN 0.056 nan 8.250 nan 0.000 0.521 218 K N 1.259 121.678 120.400 0.032 0.000 3.123 218 K HA 0.266 4.586 4.320 -0.000 0.000 0.209 218 K C -0.921 175.705 176.600 0.044 0.000 1.132 218 K CA -0.156 56.153 56.287 0.037 0.000 0.992 218 K CB 0.645 33.164 32.500 0.032 0.000 0.773 218 K HN -0.046 nan 8.250 nan 0.000 0.458 219 L N 2.090 123.343 121.223 0.050 0.000 2.326 219 L HA 0.350 4.690 4.340 -0.000 0.000 0.278 219 L C -1.998 174.910 176.870 0.063 0.000 1.092 219 L CA -2.024 52.853 54.840 0.062 0.000 0.810 219 L CB 0.398 42.499 42.059 0.070 0.000 1.153 219 L HN 0.011 nan 8.230 nan 0.000 0.439 220 P HA 0.086 nan 4.420 nan 0.000 0.270 220 P C 0.076 177.419 177.300 0.071 0.000 1.223 220 P CA -0.515 62.625 63.100 0.067 0.000 0.785 220 P CB 0.650 32.392 31.700 0.070 0.000 0.923 221 R N 2.397 122.938 120.500 0.068 0.000 2.081 221 R HA -0.164 4.175 4.340 -0.000 0.000 0.235 221 R C 1.782 178.124 176.300 0.070 0.000 1.131 221 R CA 1.926 58.067 56.100 0.068 0.000 0.960 221 R CB -1.256 29.087 30.300 0.072 0.000 0.856 221 R HN 0.432 nan 8.270 nan 0.000 0.436 222 N N 0.225 118.972 118.700 0.078 0.000 2.166 222 N HA -0.136 4.604 4.740 -0.000 0.000 0.186 222 N C 1.277 176.852 175.510 0.109 0.000 1.019 222 N CA 1.687 54.790 53.050 0.087 0.000 0.856 222 N CB 0.049 38.589 38.487 0.089 0.000 0.993 222 N HN 0.416 nan 8.380 nan 0.000 0.426 223 E N -0.678 119.594 120.200 0.119 0.000 2.072 223 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 223 E C 1.786 178.460 176.600 0.125 0.000 0.985 223 E CA 0.782 57.274 56.400 0.154 0.000 0.801 223 E CB -0.051 29.742 29.700 0.155 0.000 0.750 223 E HN 0.371 nan 8.360 nan 0.000 0.452 224 M N 0.486 120.136 119.600 0.082 0.000 2.106 224 M HA -0.166 4.314 4.480 -0.000 0.000 0.259 224 M C 1.938 178.244 176.300 0.010 0.000 1.068 224 M CA 1.565 56.891 55.300 0.044 0.000 1.100 224 M CB -0.753 31.866 32.600 0.031 0.000 1.351 224 M HN -0.002 nan 8.290 nan 0.000 0.404 225 R N -0.769 119.737 120.500 0.010 0.000 2.377 225 R HA -0.010 4.330 4.340 -0.000 0.000 0.207 225 R C 1.747 177.983 176.300 -0.106 0.000 1.075 225 R CA 0.826 56.906 56.100 -0.034 0.000 1.035 225 R CB -0.193 30.097 30.300 -0.016 0.000 0.857 225 R HN 0.392 nan 8.270 nan 0.000 0.475 226 A N -0.229 122.535 122.820 -0.092 0.000 2.026 226 A HA 0.160 4.480 4.320 -0.000 0.000 0.198 226 A C 1.771 179.349 177.584 -0.010 0.000 1.390 226 A CA -0.219 51.683 52.037 -0.226 0.000 0.915 226 A CB 0.100 18.831 19.000 -0.449 0.000 0.974 226 A HN 0.122 nan 8.150 nan 0.000 0.477 227 L N 0.833 122.099 121.223 0.071 0.000 2.083 227 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 227 L C 2.644 179.486 176.870 -0.045 0.000 1.083 227 L CA 1.588 56.442 54.840 0.023 0.000 0.752 227 L CB -0.550 41.551 42.059 0.070 0.000 0.899 227 L HN 0.431 nan 8.230 nan 0.000 0.433 228 V N -3.697 116.178 119.914 -0.066 0.000 2.380 228 V HA -0.323 3.797 4.120 -0.000 0.000 0.251 228 V C 2.199 178.210 176.094 -0.138 0.000 1.063 228 V CA 2.022 64.254 62.300 -0.113 0.000 1.055 228 V CB -1.452 30.285 31.823 -0.143 0.000 0.657 228 V HN 0.523 nan 8.190 nan 0.000 0.455 229 C N 1.410 120.629 119.300 -0.135 0.000 2.485 229 C HA 0.317 4.777 4.460 -0.000 0.000 0.278 229 C C 2.971 177.946 174.990 -0.024 0.000 1.356 229 C CA 0.249 59.194 59.018 -0.122 0.000 1.747 229 C CB -1.573 26.032 27.740 -0.226 0.000 2.001 229 C HN 0.661 nan 8.230 nan 0.000 0.501 230 G N 0.386 109.160 108.800 -0.043 0.000 2.586 230 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.215 230 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.215 230 G C 1.532 176.388 174.900 -0.075 0.000 1.128 230 G CA 0.260 45.276 45.100 -0.140 0.000 0.774 230 G HN 0.714 nan 8.290 nan 0.000 0.543 231 Q N -0.771 119.013 119.800 -0.026 0.000 2.170 231 Q HA -0.099 4.241 4.340 -0.000 0.000 0.203 231 Q C 2.102 178.118 176.000 0.028 0.000 0.976 231 Q CA 1.469 57.296 55.803 0.041 0.000 0.858 231 Q CB -0.124 28.596 28.738 -0.029 0.000 0.907 231 Q HN 0.609 nan 8.270 nan 0.000 0.433 232 C N -2.206 117.057 119.300 -0.062 0.000 3.276 232 C HA 0.133 4.593 4.460 -0.000 0.000 0.512 232 C C 0.957 175.806 174.990 -0.234 0.000 1.376 232 C CA -0.525 58.400 59.018 -0.156 0.000 2.319 232 C CB -0.052 27.535 27.740 -0.256 0.000 3.330 232 C HN 0.432 nan 8.230 nan 0.000 0.596 233 H N 2.126 121.139 119.070 -0.095 0.000 2.768 233 H HA 0.406 4.962 4.556 -0.000 0.000 0.219 233 H C -0.082 175.313 175.328 0.112 0.000 1.898 233 H CA 0.730 56.768 56.048 -0.017 0.000 1.313 233 H CB -0.117 29.614 29.762 -0.052 0.000 1.701 233 H HN 0.433 nan 8.280 nan 0.000 0.534 234 V N -0.943 119.107 119.914 0.227 0.000 3.159 234 V HA 0.409 4.529 4.120 -0.000 0.000 0.308 234 V C -0.345 175.846 176.094 0.162 0.000 1.190 234 V CA -1.339 61.042 62.300 0.135 0.000 1.037 234 V CB 2.858 34.526 31.823 -0.258 0.000 1.060 234 V HN 0.209 nan 8.190 nan 0.000 0.437 235 E N 2.026 122.297 120.200 0.118 0.000 2.331 235 E HA 0.620 4.970 4.350 -0.000 0.000 0.272 235 E C -0.988 175.686 176.600 0.123 0.000 1.036 235 E CA 0.020 56.453 56.400 0.056 0.000 0.864 235 E CB 1.004 30.765 29.700 0.102 0.000 1.035 235 E HN 1.015 nan 8.360 nan 0.000 0.408 236 Y N 1.704 122.032 120.300 0.047 0.000 2.625 236 Y HA 0.671 5.221 4.550 -0.000 0.000 0.338 236 Y C -1.572 174.370 175.900 0.071 0.000 1.123 236 Y CA -1.461 56.687 58.100 0.081 0.000 1.046 236 Y CB 0.851 39.395 38.460 0.140 0.000 1.299 236 Y HN 0.551 nan 8.280 nan 0.000 0.464 237 Y N -0.669 119.680 120.300 0.083 0.000 2.644 237 Y HA 0.849 5.398 4.550 -0.000 0.000 0.338 237 Y C -2.326 173.705 175.900 0.218 0.000 1.119 237 Y CA -2.374 55.664 58.100 -0.102 0.000 1.060 237 Y CB 1.379 39.612 38.460 -0.378 0.000 1.294 237 Y HN 0.482 nan 8.280 nan 0.000 0.472 238 F N 1.394 121.595 119.950 0.418 0.000 2.469 238 F HA 0.409 4.936 4.527 -0.000 0.000 0.332 238 F C 0.041 176.104 175.800 0.438 0.000 1.103 238 F CA -1.746 56.414 58.000 0.267 0.000 0.979 238 F CB 1.095 40.270 39.000 0.292 0.000 1.137 238 F HN 0.505 nan 8.300 nan 0.000 0.463 239 N N 1.113 120.069 118.700 0.427 0.000 2.353 239 N HA 0.125 4.865 4.740 -0.000 0.000 0.248 239 N C 0.423 176.169 175.510 0.394 0.000 1.240 239 N CA 0.311 53.608 53.050 0.412 0.000 0.862 239 N CB 0.854 39.459 38.487 0.196 0.000 1.086 239 N HN 0.859 nan 8.380 nan 0.000 0.453 240 G N 1.619 110.646 108.800 0.377 0.000 2.562 240 G HA2 0.210 4.170 3.960 -0.000 0.000 0.275 240 G HA3 0.210 4.170 3.960 -0.000 0.000 0.275 240 G C -1.255 173.752 174.900 0.179 0.000 1.196 240 G CA -0.940 44.307 45.100 0.245 0.000 0.908 240 G HN 0.348 nan 8.290 nan 0.000 0.524 241 P HA -0.151 nan 4.420 nan 0.000 0.217 241 P C 1.470 178.826 177.300 0.094 0.000 1.148 241 P CA 2.041 65.204 63.100 0.104 0.000 0.834 241 P CB -0.008 31.741 31.700 0.082 0.000 0.783 242 T N -5.751 108.859 114.554 0.095 0.000 3.186 242 T HA 0.320 4.670 4.350 -0.000 0.000 0.257 242 T C 1.344 176.102 174.700 0.098 0.000 1.029 242 T CA -0.143 62.005 62.100 0.081 0.000 0.916 242 T CB -0.620 68.285 68.868 0.061 0.000 1.041 242 T HN -0.006 nan 8.240 nan 0.000 0.562 243 M N 0.556 120.235 119.600 0.131 0.000 2.337 243 M HA 0.430 4.910 4.480 -0.000 0.000 0.256 243 M C 1.274 177.654 176.300 0.133 0.000 1.075 243 M CA 0.233 55.628 55.300 0.159 0.000 1.024 243 M CB 0.833 33.583 32.600 0.250 0.000 1.429 243 M HN 0.627 nan 8.290 nan 0.000 0.497 244 G N -0.076 108.787 108.800 0.104 0.000 2.366 244 G HA2 0.000 3.960 3.960 -0.000 0.000 0.190 244 G HA3 0.000 3.960 3.960 -0.000 0.000 0.190 244 G C -1.296 173.647 174.900 0.072 0.000 1.299 244 G CA -1.012 44.133 45.100 0.075 0.000 1.056 244 G HN -0.148 nan 8.290 nan 0.000 0.468 245 V N 2.394 122.339 119.914 0.051 0.000 2.425 245 V HA 0.210 4.330 4.120 -0.000 0.000 0.276 245 V C 0.966 177.105 176.094 0.074 0.000 1.017 245 V CA -0.109 62.235 62.300 0.073 0.000 1.062 245 V CB 0.424 32.297 31.823 0.084 0.000 0.997 245 V HN 0.686 nan 8.190 nan 0.000 0.476 246 N N 6.399 125.163 118.700 0.107 0.000 2.223 246 N HA -0.109 4.631 4.740 -0.000 0.000 0.271 246 N C 0.883 176.464 175.510 0.119 0.000 1.315 246 N CA 0.656 53.779 53.050 0.121 0.000 0.835 246 N CB 0.060 38.616 38.487 0.116 0.000 1.066 246 N HN 0.653 nan 8.380 nan 0.000 0.486 247 K N -0.730 119.740 120.400 0.118 0.000 3.500 247 K HA -0.270 4.049 4.320 -0.000 0.000 0.313 247 K C -0.145 176.356 176.600 -0.166 0.000 1.338 247 K CA 0.744 57.068 56.287 0.062 0.000 0.963 247 K CB -1.730 30.805 32.500 0.059 0.000 1.267 247 K HN 0.790 nan 8.250 nan 0.000 0.448 248 K N 2.482 122.709 120.400 -0.288 0.000 2.401 248 K HA 0.091 4.411 4.320 -0.000 0.000 0.278 248 K C -2.233 174.021 176.600 -0.577 0.000 1.018 248 K CA -1.065 54.712 56.287 -0.850 0.000 0.981 248 K CB 0.698 32.761 32.500 -0.729 0.000 0.933 248 K HN -0.164 nan 8.250 nan 0.000 0.477 249 P HA 0.089 nan 4.420 nan 0.000 0.280 249 P C -1.141 175.859 177.300 -0.499 0.000 1.244 249 P CA -0.381 62.538 63.100 -0.302 0.000 0.784 249 P CB 1.198 32.740 31.700 -0.263 0.000 0.913 250 V N 3.785 123.370 119.914 -0.547 0.000 2.789 250 V HA 0.403 4.523 4.120 -0.000 0.000 0.311 250 V C -0.101 175.701 176.094 -0.488 0.000 1.073 250 V CA -0.660 61.206 62.300 -0.723 0.000 0.921 250 V CB 1.856 33.142 31.823 -0.894 0.000 1.009 250 V HN 0.385 nan 8.190 nan 0.000 0.426 251 F N 4.342 123.909 119.950 -0.638 0.000 2.411 251 F HA 0.386 4.913 4.527 -0.000 0.000 0.355 251 F C -1.769 173.565 175.800 -0.777 0.000 1.117 251 F CA -2.192 55.289 58.000 -0.866 0.000 1.139 251 F CB 1.780 39.704 39.000 -1.792 0.000 1.120 251 F HN 0.318 nan 8.300 nan 0.000 0.493 252 P HA 0.027 nan 4.420 nan 0.000 0.218 252 P C -0.292 176.628 177.300 -0.633 0.000 1.793 252 P CA -0.005 62.469 63.100 -1.044 0.000 0.941 252 P CB -0.277 30.755 31.700 -1.113 0.000 1.919 253 W N 0.190 121.178 121.300 -0.520 0.000 3.127 253 W HA 0.394 5.054 4.660 -0.000 0.000 0.344 253 W C 1.777 178.154 176.519 -0.236 0.000 1.151 253 W CA -0.407 56.695 57.345 -0.405 0.000 1.765 253 W CB -1.220 27.935 29.460 -0.509 0.000 1.085 253 W HN 0.165 nan 8.180 nan 0.000 0.596 254 A N 0.572 123.475 122.820 0.138 0.000 1.940 254 A HA -0.183 4.136 4.320 -0.000 0.000 0.219 254 A C 1.813 179.493 177.584 0.160 0.000 1.176 254 A CA 1.628 53.802 52.037 0.227 0.000 0.631 254 A CB -0.172 19.024 19.000 0.327 0.000 0.814 254 A HN 0.064 nan 8.150 nan 0.000 0.446 255 E N -0.974 119.321 120.200 0.159 0.000 2.478 255 E HA 0.323 4.673 4.350 -0.000 0.000 0.194 255 E C 0.984 177.595 176.600 0.018 0.000 1.045 255 E CA 0.789 57.253 56.400 0.106 0.000 0.868 255 E CB 0.057 29.846 29.700 0.150 0.000 0.885 255 E HN 0.716 nan 8.360 nan 0.000 0.505 256 G N -0.082 108.658 108.800 -0.101 0.000 2.343 256 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.465 256 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.465 256 G C -0.255 174.455 174.900 -0.316 0.000 1.282 256 G CA -0.607 44.367 45.100 -0.210 0.000 0.996 256 G HN 0.093 nan 8.290 nan 0.000 0.521 257 F N 0.555 120.485 119.950 -0.033 0.000 2.678 257 F HA 0.250 4.777 4.527 -0.000 0.000 0.291 257 F C 1.245 177.041 175.800 -0.007 0.000 1.123 257 F CA 0.070 58.007 58.000 -0.104 0.000 1.395 257 F CB 0.439 39.323 39.000 -0.194 0.000 1.121 257 F HN 0.264 nan 8.300 nan 0.000 0.592 258 D N 1.141 121.616 120.400 0.124 0.000 2.357 258 D HA 0.062 4.702 4.640 -0.000 0.000 0.242 258 D C -1.491 174.719 176.300 -0.150 0.000 1.153 258 D CA -1.590 52.392 54.000 -0.030 0.000 0.918 258 D CB 0.295 41.075 40.800 -0.034 0.000 1.181 258 D HN -0.111 nan 8.370 nan 0.000 0.435 259 P HA -0.166 nan 4.420 nan 0.000 0.216 259 P C 0.927 178.135 177.300 -0.153 0.000 1.153 259 P CA 1.867 64.510 63.100 -0.762 0.000 0.858 259 P CB 0.125 30.803 31.700 -1.702 0.000 0.789 260 A N -0.359 122.466 122.820 0.007 0.000 1.972 260 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 260 A C 1.907 179.651 177.584 0.267 0.000 1.169 260 A CA 1.899 54.136 52.037 0.332 0.000 0.635 260 A CB -1.210 17.973 19.000 0.306 0.000 0.810 260 A HN 0.110 nan 8.150 nan 0.000 0.446 261 D N -0.307 120.191 120.400 0.163 0.000 2.103 261 D HA -0.104 4.536 4.640 -0.000 0.000 0.199 261 D C 2.043 178.445 176.300 0.170 0.000 0.978 261 D CA 1.322 55.406 54.000 0.140 0.000 0.829 261 D CB -0.376 40.471 40.800 0.077 0.000 0.981 261 D HN 0.468 nan 8.370 nan 0.000 0.464 262 M N -0.508 119.216 119.600 0.207 0.000 2.132 262 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 262 M C 2.206 178.601 176.300 0.158 0.000 1.065 262 M CA 0.981 56.387 55.300 0.178 0.000 1.122 262 M CB -0.333 32.517 32.600 0.417 0.000 1.365 262 M HN -0.001 nan 8.290 nan 0.000 0.411 263 Y N 1.081 121.497 120.300 0.194 0.000 2.081 263 Y HA -0.312 4.238 4.550 -0.000 0.000 0.280 263 Y C 2.625 178.583 175.900 0.097 0.000 1.163 263 Y CA 1.947 60.107 58.100 0.100 0.000 1.135 263 Y CB -0.308 38.315 38.460 0.272 0.000 0.970 263 Y HN 0.071 nan 8.280 nan 0.000 0.498 264 R N -1.170 119.432 120.500 0.170 0.000 2.083 264 R HA -0.265 4.075 4.340 -0.000 0.000 0.237 264 R C 2.278 178.592 176.300 0.024 0.000 1.137 264 R CA 1.927 58.075 56.100 0.080 0.000 0.951 264 R CB -1.005 29.370 30.300 0.126 0.000 0.851 264 R HN 0.550 nan 8.270 nan 0.000 0.434 265 Y N 0.033 120.290 120.300 -0.071 0.000 2.102 265 Y HA -0.325 4.225 4.550 -0.000 0.000 0.280 265 Y C 1.664 177.500 175.900 -0.106 0.000 1.178 265 Y CA 1.939 59.986 58.100 -0.088 0.000 1.146 265 Y CB -0.389 37.906 38.460 -0.275 0.000 0.968 265 Y HN 0.106 nan 8.280 nan 0.000 0.504 266 Y N 0.402 120.716 120.300 0.023 0.000 2.616 266 Y HA -0.120 4.430 4.550 -0.000 0.000 0.296 266 Y C 1.849 177.601 175.900 -0.246 0.000 1.154 266 Y CA 0.897 58.897 58.100 -0.166 0.000 1.325 266 Y CB -0.470 37.785 38.460 -0.342 0.000 1.007 266 Y HN 0.273 nan 8.280 nan 0.000 0.542 267 D N -0.692 119.622 120.400 -0.145 0.000 2.240 267 D HA -0.034 4.606 4.640 -0.000 0.000 0.206 267 D C 1.675 177.879 176.300 -0.159 0.000 0.963 267 D CA 0.967 54.865 54.000 -0.171 0.000 0.863 267 D CB 0.185 40.885 40.800 -0.167 0.000 0.973 267 D HN 0.297 nan 8.370 nan 0.000 0.501 268 K N -0.648 119.619 120.400 -0.222 0.000 2.308 268 K HA 0.082 4.401 4.320 -0.000 0.000 0.197 268 K C 0.304 176.575 176.600 -0.549 0.000 1.049 268 K CA 0.361 56.413 56.287 -0.393 0.000 0.991 268 K CB 0.635 32.821 32.500 -0.523 0.000 0.836 268 K HN 0.203 nan 8.250 nan 0.000 0.500 269 H N -0.128 118.760 119.070 -0.304 0.000 2.505 269 H HA 0.504 5.060 4.556 -0.000 0.000 0.338 269 H C 0.189 175.487 175.328 -0.050 0.000 1.057 269 H CA -0.382 55.516 56.048 -0.250 0.000 1.202 269 H CB 1.966 31.422 29.762 -0.509 0.000 1.466 269 H HN 0.304 nan 8.280 nan 0.000 0.499 270 G N 2.062 110.943 108.800 0.134 0.000 2.343 270 G HA2 0.031 3.991 3.960 -0.000 0.000 0.289 270 G HA3 0.031 3.991 3.960 -0.000 0.000 0.289 270 G C -1.145 173.808 174.900 0.089 0.000 1.295 270 G CA -0.349 44.872 45.100 0.202 0.000 0.869 270 G HN 0.591 nan 8.290 nan 0.000 0.522 271 D N -1.085 119.335 120.400 0.034 0.000 2.562 271 D HA 0.207 4.847 4.640 -0.000 0.000 0.246 271 D C 0.555 176.838 176.300 -0.028 0.000 1.347 271 D CA -0.347 53.658 54.000 0.009 0.000 0.800 271 D CB -0.206 40.610 40.800 0.027 0.000 1.111 271 D HN 0.462 nan 8.370 nan 0.000 0.508 272 L N 0.802 121.998 121.223 -0.046 0.000 2.456 272 L HA 0.200 4.539 4.340 -0.000 0.000 0.272 272 L C 1.282 178.143 176.870 -0.015 0.000 1.189 272 L CA 0.299 55.110 54.840 -0.050 0.000 0.846 272 L CB 1.107 43.136 42.059 -0.050 0.000 1.111 272 L HN 0.007 nan 8.230 nan 0.000 0.475 273 Q N 1.501 121.292 119.800 -0.016 0.000 2.217 273 Q HA 0.158 4.498 4.340 -0.000 0.000 0.217 273 Q C -0.155 175.852 176.000 0.012 0.000 0.844 273 Q CA -0.258 55.543 55.803 -0.002 0.000 0.957 273 Q CB 1.236 29.971 28.738 -0.006 0.000 1.127 273 Q HN 0.451 nan 8.270 nan 0.000 0.503 274 V N 2.475 122.399 119.914 0.017 0.000 2.763 274 V HA -0.066 4.054 4.120 -0.000 0.000 0.306 274 V C 0.612 176.771 176.094 0.108 0.000 1.059 274 V CA 0.426 62.752 62.300 0.042 0.000 1.138 274 V CB 0.700 32.516 31.823 -0.012 0.000 0.940 274 V HN 0.140 nan 8.190 nan 0.000 0.489 275 K N 3.114 123.567 120.400 0.088 0.000 2.447 275 K HA 0.297 4.617 4.320 -0.000 0.000 0.281 275 K C 1.156 177.817 176.600 0.102 0.000 1.031 275 K CA 0.960 57.286 56.287 0.066 0.000 1.019 275 K CB 0.058 32.581 32.500 0.038 0.000 0.918 275 K HN 1.073 nan 8.250 nan 0.000 0.476 276 G N 3.652 112.437 108.800 -0.025 0.000 2.195 276 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.246 276 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.246 276 G C 0.232 174.800 174.900 -0.553 0.000 0.984 276 G CA 0.090 45.037 45.100 -0.255 0.000 0.633 276 G HN 0.633 nan 8.290 nan 0.000 0.525 277 F N 1.121 121.022 119.950 -0.081 0.000 2.837 277 F HA 0.396 4.923 4.527 -0.000 0.000 0.328 277 F C 0.561 176.306 175.800 -0.091 0.000 1.173 277 F CA -0.696 57.247 58.000 -0.095 0.000 1.160 277 F CB 0.778 39.712 39.000 -0.111 0.000 1.115 277 F HN 0.026 nan 8.300 nan 0.000 0.512 278 E N 0.466 120.681 120.200 0.025 0.000 2.351 278 E HA 0.404 4.754 4.350 -0.000 0.000 0.266 278 E C 1.221 177.809 176.600 -0.020 0.000 1.031 278 E CA 1.056 57.458 56.400 0.003 0.000 0.911 278 E CB 0.376 30.065 29.700 -0.019 0.000 0.986 278 E HN 0.441 nan 8.360 nan 0.000 0.446 279 G N 2.872 111.663 108.800 -0.015 0.000 2.159 279 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.256 279 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.256 279 G C 0.140 175.026 174.900 -0.024 0.000 0.977 279 G CA 0.139 45.223 45.100 -0.028 0.000 0.652 279 G HN 0.411 nan 8.290 nan 0.000 0.531 280 K N -0.780 119.617 120.400 -0.006 0.000 2.090 280 K HA 0.615 4.935 4.320 -0.000 0.000 0.249 280 K C -0.341 176.274 176.600 0.025 0.000 0.995 280 K CA -0.865 55.425 56.287 0.006 0.000 0.914 280 K CB 1.001 33.515 32.500 0.024 0.000 1.057 280 K HN 0.070 nan 8.250 nan 0.000 0.462 281 F N 0.899 120.784 119.950 -0.108 0.000 2.384 281 F HA 0.423 4.949 4.527 -0.000 0.000 0.338 281 F C -0.529 175.124 175.800 -0.246 0.000 1.103 281 F CA -0.205 57.704 58.000 -0.152 0.000 1.157 281 F CB 0.958 39.874 39.000 -0.139 0.000 1.167 281 F HN 0.490 nan 8.300 nan 0.000 0.529 282 A N 4.995 127.301 122.820 -0.858 0.000 2.422 282 A HA 0.345 4.665 4.320 -0.000 0.000 0.302 282 A C -0.093 177.030 177.584 -0.769 0.000 1.041 282 A CA -0.642 51.011 52.037 -0.640 0.000 0.708 282 A CB 1.018 19.746 19.000 -0.453 0.000 1.257 282 A HN 0.797 nan 8.150 nan 0.000 0.414 283 D N 0.347 120.556 120.400 -0.318 0.000 2.213 283 D HA 0.102 4.742 4.640 -0.000 0.000 0.205 283 D C 0.185 176.591 176.300 0.176 0.000 0.961 283 D CA 1.784 55.773 54.000 -0.018 0.000 0.853 283 D CB 0.272 41.124 40.800 0.086 0.000 0.967 283 D HN 0.738 nan 8.370 nan 0.000 0.496 284 W N -0.249 120.876 121.300 -0.292 0.000 2.989 284 W HA 0.331 4.991 4.660 -0.000 0.000 0.344 284 W C -1.456 174.960 176.519 -0.173 0.000 1.233 284 W CA -0.982 56.265 57.345 -0.163 0.000 1.187 284 W CB 0.781 30.207 29.460 -0.057 0.000 1.443 284 W HN -0.311 nan 8.180 nan 0.000 0.573 285 T N 0.435 114.839 114.554 -0.251 0.000 2.797 285 T HA 0.263 4.613 4.350 -0.000 0.000 0.279 285 T C -0.700 173.803 174.700 -0.328 0.000 0.991 285 T CA -0.406 61.436 62.100 -0.430 0.000 0.979 285 T CB 0.705 69.399 68.868 -0.290 0.000 0.943 285 T HN 0.698 nan 8.240 nan 0.000 0.444 286 H N 5.579 124.328 119.070 -0.533 0.000 2.929 286 H HA 0.191 4.747 4.556 -0.000 0.000 0.317 286 H C -1.927 173.296 175.328 -0.175 0.000 1.031 286 H CA -1.384 54.519 56.048 -0.241 0.000 1.466 286 H CB 1.794 31.390 29.762 -0.277 0.000 1.482 286 H HN 0.515 nan 8.280 nan 0.000 0.561 287 P HA 0.014 nan 4.420 nan 0.000 0.227 287 P C 0.935 178.075 177.300 -0.266 0.000 1.161 287 P CA 1.079 64.131 63.100 -0.080 0.000 0.788 287 P CB 0.295 32.008 31.700 0.022 0.000 0.822 288 A N 0.673 123.235 122.820 -0.429 0.000 1.843 288 A HA -0.105 4.214 4.320 -0.000 0.000 0.213 288 A C 2.345 179.555 177.584 -0.623 0.000 1.202 288 A CA 2.160 53.571 52.037 -1.044 0.000 0.607 288 A CB -1.453 16.706 19.000 -1.402 0.000 0.847 288 A HN 0.301 nan 8.150 nan 0.000 0.445 289 S N -1.505 113.990 115.700 -0.342 0.000 2.496 289 S HA 0.010 4.480 4.470 -0.000 0.000 0.224 289 S C 0.547 175.041 174.600 -0.176 0.000 0.996 289 S CA 0.874 58.933 58.200 -0.235 0.000 0.927 289 S CB -0.085 63.039 63.200 -0.127 0.000 0.774 289 S HN 0.417 nan 8.310 nan 0.000 0.524 290 K N 1.226 121.533 120.400 -0.156 0.000 3.117 290 K HA -0.104 4.216 4.320 -0.000 0.000 0.269 290 K C -0.765 175.702 176.600 -0.220 0.000 1.098 290 K CA 0.977 57.171 56.287 -0.154 0.000 0.785 290 K CB -3.163 29.265 32.500 -0.119 0.000 1.242 290 K HN 0.588 nan 8.250 nan 0.000 0.491 291 T N 2.092 116.502 114.554 -0.241 0.000 2.799 291 T HA 0.373 4.723 4.350 -0.000 0.000 0.286 291 T C -2.484 171.926 174.700 -0.482 0.000 0.973 291 T CA -1.635 60.252 62.100 -0.354 0.000 1.035 291 T CB 1.700 70.410 68.868 -0.263 0.000 0.932 291 T HN -0.114 nan 8.240 nan 0.000 0.469 292 P HA 0.187 nan 4.420 nan 0.000 0.269 292 P C -0.481 176.486 177.300 -0.555 0.000 1.252 292 P CA -0.117 62.611 63.100 -0.619 0.000 0.780 292 P CB 0.238 31.496 31.700 -0.737 0.000 0.829 293 M N 3.825 123.008 119.600 -0.695 0.000 2.472 293 M HA 0.436 4.916 4.480 -0.000 0.000 0.331 293 M C 0.215 176.209 176.300 -0.510 0.000 1.170 293 M CA -0.784 54.079 55.300 -0.729 0.000 1.009 293 M CB 1.152 32.860 32.600 -1.487 0.000 1.672 293 M HN 0.153 nan 8.290 nan 0.000 0.453 294 I N 1.689 122.078 120.570 -0.301 0.000 2.392 294 I HA 0.336 4.505 4.170 -0.000 0.000 0.295 294 I C 0.091 176.227 176.117 0.032 0.000 0.985 294 I CA -0.766 60.413 61.300 -0.201 0.000 1.221 294 I CB 1.243 38.995 38.000 -0.413 0.000 1.366 294 I HN 0.511 nan 8.210 nan 0.000 0.467 295 K N 4.850 125.264 120.400 0.023 0.000 2.183 295 K HA 0.710 5.030 4.320 -0.000 0.000 0.274 295 K C -0.752 175.789 176.600 -0.097 0.000 1.009 295 K CA -0.247 55.992 56.287 -0.080 0.000 0.888 295 K CB 1.370 33.664 32.500 -0.344 0.000 1.078 295 K HN 0.700 nan 8.250 nan 0.000 0.459 296 A N 3.862 126.603 122.820 -0.132 0.000 2.306 296 A HA 0.615 4.935 4.320 -0.000 0.000 0.330 296 A C -1.126 176.238 177.584 -0.366 0.000 1.146 296 A CA -0.534 51.397 52.037 -0.176 0.000 0.827 296 A CB 0.794 19.646 19.000 -0.247 0.000 1.178 296 A HN 0.712 nan 8.150 nan 0.000 0.490 297 Q N 0.356 119.898 119.800 -0.429 0.000 2.305 297 Q HA 0.443 4.783 4.340 -0.000 0.000 0.271 297 Q C -1.087 174.529 176.000 -0.640 0.000 1.046 297 Q CA -0.544 54.884 55.803 -0.626 0.000 0.798 297 Q CB 1.424 29.664 28.738 -0.830 0.000 1.286 297 Q HN 0.970 nan 8.270 nan 0.000 0.435 298 H N -0.628 118.470 119.070 0.048 0.000 2.041 298 H HA -0.155 4.401 4.556 -0.000 0.000 0.325 298 H C -2.165 173.179 175.328 0.026 0.000 0.902 298 H CA 0.123 56.219 56.048 0.080 0.000 1.073 298 H CB -1.226 28.613 29.762 0.128 0.000 1.583 298 H HN 0.393 nan 8.280 nan 0.000 0.331 299 P HA 0.056 nan 4.420 nan 0.000 0.220 299 P C 0.250 177.544 177.300 -0.011 0.000 1.778 299 P CA -0.084 62.947 63.100 -0.114 0.000 0.912 299 P CB 0.471 31.843 31.700 -0.547 0.000 1.861 300 E N -0.527 119.761 120.200 0.147 0.000 2.077 300 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 300 E C 1.585 178.241 176.600 0.093 0.000 0.989 300 E CA 1.430 57.931 56.400 0.169 0.000 0.800 300 E CB -0.828 28.974 29.700 0.170 0.000 0.746 300 E HN 0.328 nan 8.360 nan 0.000 0.452 301 Y N 1.506 121.795 120.300 -0.017 0.000 2.114 301 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 301 Y C 1.807 177.620 175.900 -0.146 0.000 1.143 301 Y CA 2.048 60.107 58.100 -0.069 0.000 1.135 301 Y CB 0.025 38.417 38.460 -0.113 0.000 0.980 301 Y HN -0.005 nan 8.280 nan 0.000 0.499 302 E N -1.099 119.016 120.200 -0.141 0.000 2.204 302 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 302 E C 2.064 178.586 176.600 -0.129 0.000 0.989 302 E CA 1.713 57.945 56.400 -0.280 0.000 0.824 302 E CB -0.368 29.322 29.700 -0.017 0.000 0.756 302 E HN 0.403 nan 8.360 nan 0.000 0.477 303 T N -0.061 114.478 114.554 -0.025 0.000 2.809 303 T HA -0.133 4.217 4.350 -0.000 0.000 0.260 303 T C 1.355 176.052 174.700 -0.005 0.000 1.039 303 T CA 1.034 63.173 62.100 0.065 0.000 1.141 303 T CB -0.496 68.451 68.868 0.131 0.000 0.869 303 T HN 0.439 nan 8.240 nan 0.000 0.437 304 W N 1.855 123.019 121.300 -0.226 0.000 2.338 304 W HA -0.045 4.615 4.660 -0.000 0.000 0.304 304 W C 1.833 178.130 176.519 -0.369 0.000 1.212 304 W CA 0.537 57.694 57.345 -0.313 0.000 1.264 304 W CB -0.532 28.642 29.460 -0.475 0.000 1.142 304 W HN 0.227 nan 8.180 nan 0.000 0.512 305 I N 2.246 122.306 120.570 -0.851 0.000 2.361 305 I HA -0.304 3.866 4.170 -0.000 0.000 0.251 305 I C 1.345 176.910 176.117 -0.920 0.000 1.133 305 I CA 2.100 62.603 61.300 -1.328 0.000 1.413 305 I CB -0.378 36.943 38.000 -1.132 0.000 1.073 305 I HN 0.223 nan 8.210 nan 0.000 0.424 306 N N -0.075 118.282 118.700 -0.572 0.000 2.282 306 N HA 0.177 4.917 4.740 -0.000 0.000 0.240 306 N C 0.217 175.551 175.510 -0.293 0.000 1.182 306 N CA 0.007 52.835 53.050 -0.370 0.000 0.874 306 N CB -0.251 38.109 38.487 -0.211 0.000 1.126 306 N HN 0.172 nan 8.380 nan 0.000 0.516 307 G N -0.316 108.276 108.800 -0.346 0.000 2.588 307 G HA2 0.248 4.208 3.960 -0.000 0.000 0.281 307 G HA3 0.248 4.208 3.960 -0.000 0.000 0.281 307 G C 0.964 175.711 174.900 -0.255 0.000 1.236 307 G CA 0.118 45.074 45.100 -0.239 0.000 0.969 307 G HN 0.181 nan 8.290 nan 0.000 0.504 308 T N -2.503 111.919 114.554 -0.219 0.000 2.833 308 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 308 T C 1.851 176.375 174.700 -0.292 0.000 1.054 308 T CA 2.186 64.132 62.100 -0.257 0.000 1.135 308 T CB -0.405 68.298 68.868 -0.275 0.000 0.869 308 T HN 0.554 nan 8.240 nan 0.000 0.466 309 H N 0.089 119.058 119.070 -0.169 0.000 2.355 309 H HA 0.333 4.889 4.556 -0.000 0.000 0.303 309 H C 2.663 177.877 175.328 -0.190 0.000 1.061 309 H CA 1.069 57.064 56.048 -0.088 0.000 1.368 309 H CB -0.633 29.147 29.762 0.030 0.000 1.412 309 H HN 0.461 nan 8.280 nan 0.000 0.523 310 G N 0.555 109.106 108.800 -0.416 0.000 2.491 310 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.218 310 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.218 310 G C 1.858 176.356 174.900 -0.670 0.000 1.180 310 G CA 1.066 45.495 45.100 -1.117 0.000 0.774 310 G HN 0.500 nan 8.290 nan 0.000 0.562 311 A N 0.573 123.103 122.820 -0.483 0.000 2.067 311 A HA 0.411 4.730 4.320 -0.000 0.000 0.219 311 A C 2.414 179.884 177.584 -0.191 0.000 1.158 311 A CA 1.854 53.704 52.037 -0.313 0.000 0.661 311 A CB -0.329 18.523 19.000 -0.247 0.000 0.801 311 A HN 0.896 nan 8.150 nan 0.000 0.452 312 A N -1.558 121.168 122.820 -0.156 0.000 2.337 312 A HA 0.451 4.771 4.320 -0.000 0.000 0.227 312 A C 1.562 179.131 177.584 -0.025 0.000 1.259 312 A CA 0.903 52.893 52.037 -0.079 0.000 0.870 312 A CB -1.032 17.925 19.000 -0.072 0.000 0.927 312 A HN 1.789 nan 8.150 nan 0.000 0.497 313 G N -1.227 107.555 108.800 -0.030 0.000 2.143 313 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.248 313 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.248 313 G C 0.070 175.048 174.900 0.130 0.000 0.991 313 G CA 0.261 45.389 45.100 0.047 0.000 0.689 313 G HN 0.821 nan 8.290 nan 0.000 0.522 314 V N 0.443 120.463 119.914 0.177 0.000 2.427 314 V HA 0.756 4.876 4.120 -0.000 0.000 0.286 314 V C 0.641 176.994 176.094 0.432 0.000 1.034 314 V CA 0.050 62.497 62.300 0.245 0.000 0.893 314 V CB 1.722 33.710 31.823 0.274 0.000 0.982 314 V HN 0.295 nan 8.190 nan 0.000 0.452 315 T N 2.615 117.312 114.554 0.238 0.000 2.924 315 T HA 0.244 4.593 4.350 -0.000 0.000 0.291 315 T C 1.132 175.720 174.700 -0.186 0.000 1.045 315 T CA -0.424 61.722 62.100 0.076 0.000 1.015 315 T CB 1.431 70.327 68.868 0.047 0.000 1.103 315 T HN 0.816 nan 8.240 nan 0.000 0.496 316 C N 1.615 120.598 119.300 -0.529 0.000 2.385 316 C HA -0.119 4.341 4.460 -0.000 0.000 0.275 316 C C 2.932 177.854 174.990 -0.115 0.000 1.207 316 C CA 1.132 59.929 59.018 -0.368 0.000 1.760 316 C CB -1.538 25.915 27.740 -0.480 0.000 2.051 316 C HN 0.975 nan 8.230 nan 0.000 0.467 317 A N 0.845 123.590 122.820 -0.124 0.000 1.969 317 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 317 A C 1.752 179.272 177.584 -0.107 0.000 1.169 317 A CA 2.040 54.033 52.037 -0.074 0.000 0.635 317 A CB -0.567 18.385 19.000 -0.080 0.000 0.810 317 A HN 0.547 nan 8.150 nan 0.000 0.445 318 D N -0.383 119.957 120.400 -0.100 0.000 2.133 318 D HA -0.148 4.492 4.640 -0.000 0.000 0.195 318 D C 1.891 178.125 176.300 -0.109 0.000 0.997 318 D CA 1.699 55.635 54.000 -0.106 0.000 0.840 318 D CB -0.460 40.318 40.800 -0.036 0.000 0.947 318 D HN 0.487 nan 8.370 nan 0.000 0.452 319 C N -0.977 118.266 119.300 -0.095 0.000 2.527 319 C HA 0.098 4.558 4.460 -0.000 0.000 0.280 319 C C 2.087 176.924 174.990 -0.256 0.000 1.353 319 C CA -0.083 58.831 59.018 -0.173 0.000 1.749 319 C CB -0.508 27.107 27.740 -0.208 0.000 2.088 319 C HN 0.436 nan 8.230 nan 0.000 0.508 320 H N -0.992 118.019 119.070 -0.098 0.000 2.705 320 H HA 0.308 4.864 4.556 -0.000 0.000 0.269 320 H C 0.851 176.140 175.328 -0.066 0.000 0.998 320 H CA 0.655 56.658 56.048 -0.074 0.000 1.193 320 H CB 0.341 30.085 29.762 -0.030 0.000 1.485 320 H HN 0.439 nan 8.280 nan 0.000 0.521 321 M N 1.341 120.937 119.600 -0.007 0.000 3.320 321 M HA 0.101 4.581 4.480 -0.000 0.000 0.414 321 M C 0.220 176.418 176.300 -0.171 0.000 1.553 321 M CA -0.257 54.984 55.300 -0.098 0.000 0.742 321 M CB 1.137 33.697 32.600 -0.066 0.000 1.434 321 M HN -0.049 nan 8.290 nan 0.000 0.505 322 S N -0.232 115.374 115.700 -0.157 0.000 2.563 322 S HA 0.194 4.664 4.470 -0.000 0.000 0.284 322 S C -0.307 174.226 174.600 -0.111 0.000 1.331 322 S CA -0.080 58.004 58.200 -0.193 0.000 1.047 322 S CB 0.381 63.518 63.200 -0.106 0.000 0.859 322 S HN 0.303 nan 8.310 nan 0.000 0.514 323 Y N 1.064 121.376 120.300 0.020 0.000 2.610 323 Y HA 0.358 4.908 4.550 -0.000 0.000 0.332 323 Y C 1.291 177.212 175.900 0.035 0.000 1.201 323 Y CA 0.021 58.142 58.100 0.034 0.000 1.465 323 Y CB 0.140 38.622 38.460 0.037 0.000 1.283 323 Y HN 0.805 nan 8.280 nan 0.000 0.563 324 T N 4.774 119.460 114.554 0.221 0.000 2.881 324 T HA 0.403 4.753 4.350 -0.000 0.000 0.291 324 T C -0.299 174.469 174.700 0.113 0.000 0.990 324 T CA -0.987 61.196 62.100 0.138 0.000 0.976 324 T CB 0.290 69.227 68.868 0.115 0.000 0.970 324 T HN 0.663 nan 8.240 nan 0.000 0.438 325 R N 3.665 124.216 120.500 0.086 0.000 3.710 325 R HA 0.208 4.548 4.340 -0.000 0.000 0.201 325 R C 1.164 177.495 176.300 0.052 0.000 1.641 325 R CA -0.103 56.033 56.100 0.061 0.000 1.390 325 R CB -0.134 30.195 30.300 0.048 0.000 1.341 325 R HN 0.691 nan 8.270 nan 0.000 0.728 326 S N -1.451 114.283 115.700 0.056 0.000 2.559 326 S HA 0.004 4.473 4.470 -0.000 0.000 0.226 326 S C 0.361 174.985 174.600 0.039 0.000 1.000 326 S CA -0.427 57.801 58.200 0.046 0.000 0.948 326 S CB 0.451 63.681 63.200 0.050 0.000 0.870 326 S HN 0.255 nan 8.310 nan 0.000 0.497 327 D N 2.325 122.751 120.400 0.042 0.000 2.493 327 D HA 0.314 4.954 4.640 -0.000 0.000 0.235 327 D C 0.082 176.400 176.300 0.029 0.000 1.117 327 D CA 0.081 54.104 54.000 0.038 0.000 0.930 327 D CB -0.050 40.778 40.800 0.048 0.000 1.010 327 D HN 0.005 nan 8.370 nan 0.000 0.514 328 D N 2.216 122.630 120.400 0.023 0.000 4.207 328 D HA -0.297 4.343 4.640 -0.000 0.000 0.160 328 D C 0.475 176.787 176.300 0.021 0.000 0.724 328 D CA 1.244 55.255 54.000 0.019 0.000 1.104 328 D CB -0.394 40.415 40.800 0.016 0.000 0.509 328 D HN 0.363 nan 8.370 nan 0.000 0.475 329 K N 1.057 121.469 120.400 0.019 0.000 2.506 329 K HA 0.282 4.602 4.320 -0.000 0.000 0.204 329 K C -0.428 176.182 176.600 0.017 0.000 1.045 329 K CA 0.038 56.337 56.287 0.020 0.000 1.074 329 K CB 0.712 33.222 32.500 0.016 0.000 0.842 329 K HN 0.108 nan 8.250 nan 0.000 0.514 330 K N 1.099 121.510 120.400 0.017 0.000 2.174 330 K HA 0.226 4.546 4.320 -0.000 0.000 0.275 330 K C -0.389 176.221 176.600 0.016 0.000 1.015 330 K CA -0.376 55.917 56.287 0.010 0.000 0.933 330 K CB 0.997 33.505 32.500 0.014 0.000 1.025 330 K HN -0.104 nan 8.250 nan 0.000 0.463 331 K N 2.684 123.076 120.400 -0.014 0.000 2.436 331 K HA 0.137 4.457 4.320 -0.000 0.000 0.275 331 K C 0.252 176.872 176.600 0.033 0.000 0.999 331 K CA 0.102 56.384 56.287 -0.009 0.000 0.980 331 K CB 0.227 32.623 32.500 -0.174 0.000 0.919 331 K HN 0.502 nan 8.250 nan 0.000 0.484 332 I N -2.508 118.131 120.570 0.114 0.000 3.145 332 I HA 0.398 4.568 4.170 -0.000 0.000 0.313 332 I C -0.653 175.638 176.117 0.289 0.000 1.122 332 I CA -0.906 60.495 61.300 0.169 0.000 0.987 332 I CB 2.368 40.454 38.000 0.143 0.000 1.236 332 I HN 0.212 nan 8.210 nan 0.000 0.453 333 S N 2.132 118.026 115.700 0.322 0.000 2.465 333 S HA 0.238 4.708 4.470 -0.000 0.000 0.279 333 S C -0.006 174.711 174.600 0.195 0.000 1.201 333 S CA -0.410 57.955 58.200 0.276 0.000 1.053 333 S CB 0.889 64.227 63.200 0.231 0.000 0.953 333 S HN 0.677 nan 8.310 nan 0.000 0.488 334 S N 1.844 117.584 115.700 0.067 0.000 2.525 334 S HA 0.037 4.507 4.470 -0.000 0.000 0.285 334 S C 0.076 174.545 174.600 -0.219 0.000 1.283 334 S CA -0.105 58.102 58.200 0.012 0.000 1.072 334 S CB 0.006 63.205 63.200 -0.002 0.000 0.867 334 S HN 0.726 nan 8.310 nan 0.000 0.492 335 H N 3.091 121.967 119.070 -0.323 0.000 2.469 335 H HA 0.253 4.809 4.556 -0.000 0.000 0.286 335 H C -1.044 173.635 175.328 -1.082 0.000 1.106 335 H CA -0.309 55.230 56.048 -0.848 0.000 1.055 335 H CB 0.138 29.592 29.762 -0.514 0.000 1.618 335 H HN 0.631 nan 8.280 nan 0.000 0.559 336 W N 2.067 122.945 121.300 -0.704 0.000 2.288 336 W HA 0.250 4.910 4.660 0.000 0.000 0.325 336 W C -1.325 174.978 176.519 -0.360 0.000 1.019 336 W CA -1.703 55.371 57.345 -0.451 0.000 1.403 336 W CB 0.136 29.465 29.460 -0.219 0.000 1.226 336 W HN 0.170 nan 8.180 nan 0.000 0.391 337 W N 6.968 128.303 121.300 0.059 0.000 2.311 337 W HA 0.437 5.097 4.660 -0.000 0.000 0.317 337 W C 0.196 176.578 176.519 -0.228 0.000 1.065 337 W CA -0.440 56.831 57.345 -0.122 0.000 1.364 337 W CB 0.831 30.168 29.460 -0.205 0.000 1.233 337 W HN 0.212 nan 8.180 nan 0.000 0.409 338 T N 0.743 115.240 114.554 -0.094 0.000 2.653 338 T HA 0.174 4.524 4.350 -0.000 0.000 0.306 338 T C -0.622 173.998 174.700 -0.133 0.000 1.426 338 T CA -0.431 61.528 62.100 -0.236 0.000 1.008 338 T CB 1.289 69.730 68.868 -0.711 0.000 1.692 338 T HN 0.108 nan 8.240 nan 0.000 0.483 339 S N 1.462 117.056 115.700 -0.176 0.000 2.516 339 S HA 0.281 4.750 4.470 -0.000 0.000 0.282 339 S C -1.701 172.740 174.600 -0.265 0.000 1.286 339 S CA -0.850 57.267 58.200 -0.138 0.000 1.066 339 S CB 0.626 63.759 63.200 -0.112 0.000 0.884 339 S HN 0.466 nan 8.310 nan 0.000 0.491 340 P HA -0.030 nan 4.420 nan 0.000 0.228 340 P C 1.018 178.179 177.300 -0.232 0.000 1.151 340 P CA 0.904 63.815 63.100 -0.314 0.000 0.770 340 P CB 0.088 31.567 31.700 -0.368 0.000 0.786 341 M N -1.602 117.877 119.600 -0.200 0.000 2.595 341 M HA 0.041 4.521 4.480 -0.000 0.000 0.248 341 M C 1.463 177.695 176.300 -0.114 0.000 1.119 341 M CA 0.961 56.173 55.300 -0.146 0.000 1.079 341 M CB -0.553 31.972 32.600 -0.125 0.000 1.472 341 M HN -0.003 nan 8.290 nan 0.000 0.501 342 K N 0.484 120.794 120.400 -0.149 0.000 2.288 342 K HA -0.086 4.234 4.320 -0.000 0.000 0.201 342 K C 0.413 176.983 176.600 -0.050 0.000 1.048 342 K CA 0.492 56.716 56.287 -0.106 0.000 0.956 342 K CB 0.069 32.456 32.500 -0.188 0.000 0.746 342 K HN 0.127 nan 8.250 nan 0.000 0.461 343 D N 0.850 121.205 120.400 -0.075 0.000 2.365 343 D HA 0.038 4.678 4.640 -0.000 0.000 0.237 343 D C -1.751 174.539 176.300 -0.017 0.000 1.190 343 D CA -2.515 51.474 54.000 -0.018 0.000 0.867 343 D CB 1.335 42.118 40.800 -0.027 0.000 1.050 343 D HN -0.084 nan 8.370 nan 0.000 0.491 344 P HA -0.095 nan 4.420 nan 0.000 0.225 344 P C 0.435 177.738 177.300 0.005 0.000 1.148 344 P CA 0.720 63.822 63.100 0.002 0.000 0.779 344 P CB 0.526 32.234 31.700 0.013 0.000 0.780 345 E N -0.684 119.523 120.200 0.011 0.000 2.474 345 E HA 0.146 4.495 4.350 -0.000 0.000 0.195 345 E C 0.801 177.409 176.600 0.014 0.000 1.039 345 E CA -0.258 56.153 56.400 0.018 0.000 0.881 345 E CB -0.346 29.369 29.700 0.026 0.000 0.970 345 E HN 0.134 nan 8.360 nan 0.000 0.486 346 M N 0.424 120.021 119.600 -0.005 0.000 2.175 346 M HA -0.291 4.188 4.480 -0.000 0.000 0.192 346 M C 0.632 176.932 176.300 0.000 0.000 0.473 346 M CA 0.677 55.966 55.300 -0.019 0.000 0.414 346 M CB -1.910 30.682 32.600 -0.013 0.000 1.069 346 M HN 0.150 nan 8.290 nan 0.000 0.933 347 R N -0.042 120.459 120.500 0.002 0.000 2.189 347 R HA 0.072 4.412 4.340 -0.000 0.000 0.218 347 R C 2.239 178.548 176.300 0.015 0.000 1.074 347 R CA 1.317 57.429 56.100 0.020 0.000 0.991 347 R CB -0.072 30.246 30.300 0.030 0.000 0.883 347 R HN 0.644 nan 8.270 nan 0.000 0.457 348 A N 0.610 123.420 122.820 -0.017 0.000 1.972 348 A HA -0.165 4.154 4.320 -0.000 0.000 0.219 348 A C 2.073 179.654 177.584 -0.005 0.000 1.169 348 A CA 1.356 53.371 52.037 -0.037 0.000 0.635 348 A CB -0.474 18.466 19.000 -0.100 0.000 0.810 348 A HN 0.462 nan 8.150 nan 0.000 0.446 349 C N -1.601 117.718 119.300 0.032 0.000 2.634 349 C HA 0.224 4.684 4.460 -0.000 0.000 0.268 349 C C 2.161 177.241 174.990 0.150 0.000 1.322 349 C CA -0.128 58.966 59.018 0.126 0.000 1.737 349 C CB -0.964 26.867 27.740 0.152 0.000 1.976 349 C HN 0.495 nan 8.230 nan 0.000 0.547 350 R N 0.867 121.423 120.500 0.094 0.000 2.356 350 R HA 0.070 4.410 4.340 -0.000 0.000 0.234 350 R C 1.453 177.791 176.300 0.062 0.000 0.929 350 R CA 0.259 56.417 56.100 0.097 0.000 1.084 350 R CB 0.078 30.424 30.300 0.077 0.000 1.105 350 R HN 0.532 nan 8.270 nan 0.000 0.515 351 Q N -0.583 119.240 119.800 0.038 0.000 2.226 351 Q HA 0.018 4.358 4.340 -0.000 0.000 0.199 351 Q C 2.055 178.044 176.000 -0.018 0.000 0.945 351 Q CA 0.861 56.677 55.803 0.022 0.000 0.861 351 Q CB -0.354 28.403 28.738 0.032 0.000 0.953 351 Q HN 0.230 nan 8.270 nan 0.000 0.490 352 C N 0.638 119.891 119.300 -0.078 0.000 2.440 352 C HA -0.067 4.393 4.460 -0.000 0.000 0.278 352 C C 1.197 175.988 174.990 -0.331 0.000 1.295 352 C CA 0.391 59.268 59.018 -0.235 0.000 1.738 352 C CB -0.677 26.853 27.740 -0.350 0.000 1.987 352 C HN 0.430 nan 8.230 nan 0.000 0.492 353 H N 0.025 119.138 119.070 0.072 0.000 2.474 353 H HA 0.162 4.718 4.556 -0.000 0.000 0.250 353 H C 1.472 176.830 175.328 0.049 0.000 1.307 353 H CA 0.435 56.526 56.048 0.071 0.000 1.058 353 H CB 0.018 29.846 29.762 0.110 0.000 1.693 353 H HN 0.520 nan 8.280 nan 0.000 0.552 354 S N 0.056 115.813 115.700 0.095 0.000 2.423 354 S HA -0.165 4.305 4.470 -0.000 0.000 0.231 354 S C 1.522 176.153 174.600 0.052 0.000 1.014 354 S CA 1.038 59.277 58.200 0.065 0.000 0.965 354 S CB 0.042 63.265 63.200 0.039 0.000 0.785 354 S HN 0.508 nan 8.310 nan 0.000 0.495 355 D N 1.057 121.486 120.400 0.048 0.000 2.312 355 D HA -0.048 4.592 4.640 -0.000 0.000 0.211 355 D C 0.211 176.498 176.300 -0.022 0.000 0.964 355 D CA 0.583 54.589 54.000 0.009 0.000 0.877 355 D CB -0.121 40.678 40.800 -0.002 0.000 0.924 355 D HN 0.249 nan 8.370 nan 0.000 0.515 356 K N 1.472 121.883 120.400 0.018 0.000 2.138 356 K HA 0.259 4.579 4.320 -0.000 0.000 0.263 356 K C 0.484 177.120 176.600 0.059 0.000 0.965 356 K CA -0.489 55.788 56.287 -0.015 0.000 0.868 356 K CB 1.514 34.054 32.500 0.067 0.000 1.083 356 K HN 0.137 nan 8.250 nan 0.000 0.443 357 T N -0.888 113.703 114.554 0.062 0.000 2.860 357 T HA 0.130 4.480 4.350 -0.000 0.000 0.299 357 T C -1.697 173.074 174.700 0.117 0.000 1.045 357 T CA -1.275 60.876 62.100 0.084 0.000 1.071 357 T CB 0.561 69.475 68.868 0.076 0.000 0.985 357 T HN 0.160 nan 8.240 nan 0.000 0.537 358 P HA -0.100 nan 4.420 nan 0.000 0.216 358 P C 1.071 178.400 177.300 0.048 0.000 1.153 358 P CA 1.096 64.229 63.100 0.055 0.000 0.858 358 P CB 0.010 31.730 31.700 0.034 0.000 0.789 359 D N -2.423 118.012 120.400 0.058 0.000 2.224 359 D HA -0.149 4.491 4.640 -0.000 0.000 0.205 359 D C 1.832 178.160 176.300 0.045 0.000 0.965 359 D CA 0.819 54.843 54.000 0.041 0.000 0.852 359 D CB -0.787 40.039 40.800 0.043 0.000 0.947 359 D HN 0.226 nan 8.370 nan 0.000 0.494 360 Y N 1.470 121.765 120.300 -0.008 0.000 2.145 360 Y HA -0.158 4.392 4.550 -0.000 0.000 0.286 360 Y C 2.128 178.012 175.900 -0.027 0.000 1.145 360 Y CA 1.361 59.453 58.100 -0.014 0.000 1.148 360 Y CB -0.379 38.071 38.460 -0.017 0.000 0.981 360 Y HN -0.118 nan 8.280 nan 0.000 0.507 361 L N 0.242 121.469 121.223 0.007 0.000 2.046 361 L HA -0.258 4.082 4.340 -0.000 0.000 0.208 361 L C 2.490 179.266 176.870 -0.157 0.000 1.077 361 L CA 1.742 56.532 54.840 -0.084 0.000 0.747 361 L CB -0.569 41.497 42.059 0.011 0.000 0.896 361 L HN 0.170 nan 8.230 nan 0.000 0.432 362 K N -0.109 120.223 120.400 -0.114 0.000 2.063 362 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 362 K C 2.360 178.895 176.600 -0.108 0.000 1.048 362 K CA 1.814 58.035 56.287 -0.111 0.000 0.928 362 K CB -0.286 32.174 32.500 -0.067 0.000 0.713 362 K HN 0.390 nan 8.250 nan 0.000 0.442 363 S N 0.753 116.373 115.700 -0.134 0.000 2.423 363 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 363 S C 1.898 176.442 174.600 -0.094 0.000 1.014 363 S CA 0.631 58.770 58.200 -0.102 0.000 0.965 363 S CB -0.021 63.108 63.200 -0.118 0.000 0.785 363 S HN 0.136 nan 8.310 nan 0.000 0.495 364 R N 0.881 121.248 120.500 -0.222 0.000 2.119 364 R HA 0.276 4.616 4.340 -0.000 0.000 0.222 364 R C 2.311 178.646 176.300 0.059 0.000 1.088 364 R CA 0.801 56.809 56.100 -0.153 0.000 0.984 364 R CB -1.586 28.534 30.300 -0.300 0.000 0.884 364 R HN 0.450 nan 8.270 nan 0.000 0.447 365 V N 1.353 121.264 119.914 -0.004 0.000 2.358 365 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 365 V C 2.343 178.483 176.094 0.076 0.000 1.047 365 V CA 1.374 63.671 62.300 -0.005 0.000 1.035 365 V CB -0.389 31.231 31.823 -0.339 0.000 0.658 365 V HN 0.173 nan 8.190 nan 0.000 0.452 366 L N -1.498 119.760 121.223 0.057 0.000 2.217 366 L HA -0.117 4.223 4.340 -0.000 0.000 0.211 366 L C 2.327 179.262 176.870 0.108 0.000 1.107 366 L CA 1.338 56.231 54.840 0.089 0.000 0.783 366 L CB -0.570 41.537 42.059 0.080 0.000 0.919 366 L HN 0.321 nan 8.230 nan 0.000 0.442 367 F N 1.200 121.147 119.950 -0.005 0.000 2.095 367 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 367 F C 2.488 178.295 175.800 0.010 0.000 1.104 367 F CA 2.225 60.223 58.000 -0.002 0.000 1.232 367 F CB -0.203 38.786 39.000 -0.019 0.000 0.987 367 F HN -0.040 nan 8.300 nan 0.000 0.475 368 T N -0.038 114.660 114.554 0.241 0.000 2.668 368 T HA -0.224 4.126 4.350 -0.000 0.000 0.262 368 T C 1.859 176.562 174.700 0.004 0.000 1.045 368 T CA 1.722 63.902 62.100 0.133 0.000 1.152 368 T CB -0.452 68.538 68.868 0.203 0.000 0.864 368 T HN 0.349 nan 8.240 nan 0.000 0.419 369 Q N 0.638 120.423 119.800 -0.025 0.000 2.135 369 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 369 Q C 2.355 178.107 176.000 -0.415 0.000 0.981 369 Q CA 1.431 57.091 55.803 -0.237 0.000 0.856 369 Q CB -0.220 28.356 28.738 -0.270 0.000 0.902 369 Q HN 0.449 nan 8.270 nan 0.000 0.425 370 K N 1.033 121.315 120.400 -0.197 0.000 2.063 370 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 370 K C 1.984 178.538 176.600 -0.077 0.000 1.048 370 K CA 1.305 57.541 56.287 -0.085 0.000 0.928 370 K CB 0.094 32.590 32.500 -0.007 0.000 0.713 370 K HN 0.035 nan 8.250 nan 0.000 0.442 371 R N -0.523 119.910 120.500 -0.111 0.000 2.093 371 R HA 0.004 4.343 4.340 -0.000 0.000 0.224 371 R C 2.329 178.598 176.300 -0.052 0.000 1.101 371 R CA 1.596 57.641 56.100 -0.091 0.000 0.979 371 R CB -0.287 29.931 30.300 -0.136 0.000 0.877 371 R HN 0.220 nan 8.270 nan 0.000 0.441 372 T N 1.031 115.554 114.554 -0.052 0.000 2.684 372 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 372 T C 1.377 176.069 174.700 -0.013 0.000 1.036 372 T CA 1.426 63.511 62.100 -0.024 0.000 1.148 372 T CB -0.297 68.562 68.868 -0.015 0.000 0.863 372 T HN 0.137 nan 8.240 nan 0.000 0.436 373 F N 2.076 121.910 119.950 -0.195 0.000 2.113 373 F HA -0.092 4.435 4.527 -0.000 0.000 0.297 373 F C 2.088 177.858 175.800 -0.050 0.000 1.103 373 F CA 1.267 59.179 58.000 -0.147 0.000 1.248 373 F CB -0.240 38.577 39.000 -0.304 0.000 0.999 373 F HN 0.048 nan 8.300 nan 0.000 0.475 374 D N 0.496 120.958 120.400 0.104 0.000 2.104 374 D HA -0.232 4.407 4.640 -0.000 0.000 0.194 374 D C 2.502 178.771 176.300 -0.051 0.000 0.994 374 D CA 1.345 55.369 54.000 0.040 0.000 0.830 374 D CB -0.730 40.096 40.800 0.044 0.000 0.959 374 D HN 0.318 nan 8.370 nan 0.000 0.452 375 L N 0.311 121.502 121.223 -0.052 0.000 2.046 375 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 375 L C 2.374 179.192 176.870 -0.086 0.000 1.077 375 L CA 0.645 55.451 54.840 -0.057 0.000 0.747 375 L CB -0.155 41.884 42.059 -0.034 0.000 0.896 375 L HN 0.068 nan 8.230 nan 0.000 0.432 376 L N 0.117 121.265 121.223 -0.126 0.000 2.012 376 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 376 L C 2.294 179.007 176.870 -0.262 0.000 1.073 376 L CA 1.886 56.624 54.840 -0.170 0.000 0.748 376 L CB -0.547 41.377 42.059 -0.224 0.000 0.891 376 L HN 0.169 nan 8.230 nan 0.000 0.431 377 L N -0.703 120.340 121.223 -0.300 0.000 2.131 377 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 377 L C 2.605 179.377 176.870 -0.163 0.000 1.092 377 L CA 1.040 55.732 54.840 -0.246 0.000 0.759 377 L CB -0.974 40.972 42.059 -0.188 0.000 0.903 377 L HN 0.390 nan 8.230 nan 0.000 0.435 378 A N -0.031 122.711 122.820 -0.129 0.000 1.970 378 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 378 A C 2.538 180.053 177.584 -0.115 0.000 1.170 378 A CA 1.283 53.265 52.037 -0.092 0.000 0.645 378 A CB -0.473 18.489 19.000 -0.064 0.000 0.816 378 A HN 0.351 nan 8.150 nan 0.000 0.447 379 A N -0.481 122.256 122.820 -0.137 0.000 1.930 379 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 379 A C 2.076 179.479 177.584 -0.302 0.000 1.175 379 A CA 1.548 53.508 52.037 -0.128 0.000 0.627 379 A CB -0.462 18.523 19.000 -0.025 0.000 0.815 379 A HN 0.623 nan 8.150 nan 0.000 0.443 380 Q N -0.606 118.885 119.800 -0.516 0.000 2.172 380 Q HA -0.123 4.217 4.340 -0.000 0.000 0.200 380 Q C 1.892 177.641 176.000 -0.419 0.000 0.964 380 Q CA 1.318 56.654 55.803 -0.779 0.000 0.855 380 Q CB -0.082 28.148 28.738 -0.846 0.000 0.918 380 Q HN 0.745 nan 8.270 nan 0.000 0.444 381 E N -0.011 120.053 120.200 -0.227 0.000 2.072 381 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 381 E C 2.050 178.547 176.600 -0.173 0.000 0.985 381 E CA 0.993 57.300 56.400 -0.156 0.000 0.801 381 E CB 0.027 29.722 29.700 -0.008 0.000 0.750 381 E HN 0.117 nan 8.360 nan 0.000 0.452 382 V N 0.451 120.291 119.914 -0.124 0.000 2.515 382 V HA -0.221 3.899 4.120 -0.000 0.000 0.250 382 V C 2.301 178.353 176.094 -0.069 0.000 1.058 382 V CA 2.016 64.267 62.300 -0.082 0.000 1.064 382 V CB -0.003 31.785 31.823 -0.057 0.000 0.675 382 V HN 0.199 nan 8.190 nan 0.000 0.461 383 S N -0.865 114.796 115.700 -0.065 0.000 2.368 383 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 383 S C 1.934 176.562 174.600 0.048 0.000 1.030 383 S CA 1.905 60.126 58.200 0.035 0.000 0.999 383 S CB -0.177 63.162 63.200 0.232 0.000 0.844 383 S HN 0.455 nan 8.310 nan 0.000 0.459 384 V N 2.015 121.883 119.914 -0.076 0.000 2.332 384 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 384 V C 2.561 178.669 176.094 0.024 0.000 1.055 384 V CA 2.114 64.362 62.300 -0.087 0.000 1.038 384 V CB -0.606 30.776 31.823 -0.734 0.000 0.651 384 V HN 0.492 nan 8.190 nan 0.000 0.450 385 K N -0.117 120.247 120.400 -0.059 0.000 2.097 385 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 385 K C 2.210 178.813 176.600 0.004 0.000 1.049 385 K CA 1.373 57.653 56.287 -0.012 0.000 0.933 385 K CB -0.252 32.226 32.500 -0.037 0.000 0.717 385 K HN 0.449 nan 8.250 nan 0.000 0.442 386 A N 1.085 123.883 122.820 -0.037 0.000 1.877 386 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 386 A C 1.890 179.400 177.584 -0.124 0.000 1.186 386 A CA 1.415 53.393 52.037 -0.098 0.000 0.620 386 A CB -0.805 18.105 19.000 -0.151 0.000 0.822 386 A HN 0.369 nan 8.150 nan 0.000 0.443 387 H N -0.940 118.098 119.070 -0.054 0.000 2.353 387 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 387 H C 2.175 177.464 175.328 -0.065 0.000 1.090 387 H CA 1.989 57.951 56.048 -0.144 0.000 1.327 387 H CB -0.193 29.451 29.762 -0.196 0.000 1.383 387 H HN 0.671 nan 8.280 nan 0.000 0.508 388 E N 0.983 121.339 120.200 0.260 0.000 2.106 388 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 388 E C 2.323 178.982 176.600 0.099 0.000 0.984 388 E CA 1.166 57.724 56.400 0.263 0.000 0.806 388 E CB -0.167 29.725 29.700 0.320 0.000 0.750 388 E HN 0.362 nan 8.360 nan 0.000 0.458 389 A N -0.019 122.823 122.820 0.036 0.000 1.930 389 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 389 A C 2.443 179.998 177.584 -0.048 0.000 1.175 389 A CA 1.508 53.535 52.037 -0.018 0.000 0.627 389 A CB -0.599 18.374 19.000 -0.045 0.000 0.815 389 A HN 0.210 nan 8.150 nan 0.000 0.443 390 V N -0.108 119.765 119.914 -0.068 0.000 2.453 390 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 390 V C 2.602 178.650 176.094 -0.077 0.000 1.048 390 V CA 2.041 64.284 62.300 -0.095 0.000 1.049 390 V CB -0.763 30.981 31.823 -0.131 0.000 0.672 390 V HN 0.654 nan 8.190 nan 0.000 0.457 391 R N -0.001 120.448 120.500 -0.086 0.000 2.080 391 R HA -0.167 4.173 4.340 -0.000 0.000 0.236 391 R C 2.320 178.625 176.300 0.008 0.000 1.137 391 R CA 1.840 57.880 56.100 -0.099 0.000 0.943 391 R CB -0.362 29.835 30.300 -0.172 0.000 0.846 391 R HN 0.432 nan 8.270 nan 0.000 0.431 392 L N 0.250 121.498 121.223 0.041 0.000 2.042 392 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 392 L C 2.748 179.673 176.870 0.092 0.000 1.076 392 L CA 1.508 56.395 54.840 0.079 0.000 0.749 392 L CB -0.524 41.570 42.059 0.058 0.000 0.893 392 L HN 0.337 nan 8.230 nan 0.000 0.432 393 A N -0.382 122.460 122.820 0.036 0.000 1.969 393 A HA -0.229 4.090 4.320 -0.000 0.000 0.218 393 A C 2.162 179.879 177.584 0.223 0.000 1.169 393 A CA 1.774 53.858 52.037 0.078 0.000 0.635 393 A CB -0.797 18.188 19.000 -0.026 0.000 0.810 393 A HN 0.532 nan 8.150 nan 0.000 0.445 394 N N -0.200 118.578 118.700 0.130 0.000 2.120 394 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 394 N C 1.014 176.635 175.510 0.186 0.000 1.024 394 N CA 1.465 54.608 53.050 0.155 0.000 0.852 394 N CB -0.074 38.442 38.487 0.049 0.000 1.003 394 N HN 0.626 nan 8.380 nan 0.000 0.424 395 E N -0.586 119.715 120.200 0.167 0.000 2.419 395 E HA -0.020 4.330 4.350 -0.000 0.000 0.190 395 E C -0.753 175.951 176.600 0.173 0.000 1.040 395 E CA -0.410 56.082 56.400 0.153 0.000 0.900 395 E CB 0.128 29.917 29.700 0.149 0.000 1.054 395 E HN 0.301 nan 8.360 nan 0.000 0.462 396 Y N 1.899 122.234 120.300 0.059 0.000 2.442 396 Y HA -0.053 4.497 4.550 -0.000 0.000 0.330 396 Y C 1.051 176.941 175.900 -0.016 0.000 1.129 396 Y CA 0.239 58.356 58.100 0.029 0.000 1.365 396 Y CB 0.677 39.165 38.460 0.046 0.000 1.233 396 Y HN -0.044 nan 8.280 nan 0.000 0.529 397 Q N 3.943 123.435 119.800 -0.513 0.000 2.352 397 Q HA 0.220 4.560 4.340 -0.000 0.000 0.212 397 Q C 0.955 176.588 176.000 -0.611 0.000 0.888 397 Q CA 0.542 56.087 55.803 -0.431 0.000 0.934 397 Q CB 0.438 29.037 28.738 -0.231 0.000 1.093 397 Q HN 0.903 nan 8.270 nan 0.000 0.523 398 G N 0.756 108.802 108.800 -1.257 0.000 2.516 398 G HA2 0.426 4.386 3.960 -0.000 0.000 0.276 398 G HA3 0.426 4.386 3.960 -0.000 0.000 0.276 398 G C -0.544 174.135 174.900 -0.369 0.000 1.390 398 G CA -0.045 44.589 45.100 -0.777 0.000 1.050 398 G HN 0.240 nan 8.290 nan 0.000 0.519 399 A N -0.374 122.409 122.820 -0.062 0.000 2.454 399 A HA 0.494 4.814 4.320 -0.000 0.000 0.260 399 A C 0.469 178.144 177.584 0.151 0.000 1.106 399 A CA -0.006 52.047 52.037 0.027 0.000 0.780 399 A CB 0.142 19.163 19.000 0.035 0.000 1.044 399 A HN 0.537 nan 8.150 nan 0.000 0.498 400 K N 1.483 121.917 120.400 0.057 0.000 2.106 400 K HA 0.622 4.941 4.320 -0.000 0.000 0.246 400 K C 0.437 177.087 176.600 0.083 0.000 0.987 400 K CA -0.355 55.975 56.287 0.071 0.000 0.904 400 K CB 1.584 33.961 32.500 -0.205 0.000 1.071 400 K HN 0.815 nan 8.250 nan 0.000 0.453 401 A N 0.749 123.649 122.820 0.134 0.000 2.386 401 A HA 0.305 4.625 4.320 -0.000 0.000 0.246 401 A C 1.098 178.744 177.584 0.102 0.000 1.089 401 A CA 0.564 52.663 52.037 0.103 0.000 0.790 401 A CB 0.126 19.180 19.000 0.089 0.000 1.042 401 A HN 0.871 nan 8.150 nan 0.000 0.497 402 A N 0.662 123.524 122.820 0.070 0.000 2.015 402 A HA 0.190 4.510 4.320 -0.000 0.000 0.219 402 A C 1.759 179.386 177.584 0.071 0.000 1.163 402 A CA 1.773 53.845 52.037 0.058 0.000 0.646 402 A CB -0.687 18.336 19.000 0.038 0.000 0.806 402 A HN 1.498 nan 8.150 nan 0.000 0.448 403 G N -2.484 106.358 108.800 0.071 0.000 3.448 403 G HA2 0.196 4.155 3.960 -0.000 0.000 0.261 403 G HA3 0.196 4.155 3.960 -0.000 0.000 0.261 403 G C 0.851 175.795 174.900 0.073 0.000 1.173 403 G CA 0.358 45.490 45.100 0.054 0.000 0.835 403 G HN 0.498 nan 8.290 nan 0.000 0.534 404 Y N 1.510 121.804 120.300 -0.009 0.000 2.030 404 Y HA -0.326 4.224 4.550 -0.000 0.000 0.272 404 Y C 2.237 178.130 175.900 -0.011 0.000 1.185 404 Y CA 2.401 60.495 58.100 -0.010 0.000 1.120 404 Y CB 0.113 38.578 38.460 0.009 0.000 0.955 404 Y HN 0.256 nan 8.280 nan 0.000 0.495 405 D N 0.069 120.538 120.400 0.116 0.000 2.116 405 D HA -0.194 4.446 4.640 -0.000 0.000 0.193 405 D C 1.739 177.986 176.300 -0.088 0.000 0.998 405 D CA 1.843 55.844 54.000 0.001 0.000 0.836 405 D CB -0.445 40.408 40.800 0.089 0.000 0.951 405 D HN 0.494 nan 8.370 nan 0.000 0.449 406 D N -0.157 120.208 120.400 -0.058 0.000 2.224 406 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 406 D C 2.253 178.488 176.300 -0.108 0.000 0.965 406 D CA 0.140 54.095 54.000 -0.075 0.000 0.852 406 D CB -0.036 40.733 40.800 -0.051 0.000 0.947 406 D HN 0.235 nan 8.370 nan 0.000 0.494 407 L N -0.154 120.989 121.223 -0.133 0.000 2.240 407 L HA -0.033 4.306 4.340 -0.000 0.000 0.211 407 L C 2.288 179.035 176.870 -0.206 0.000 1.106 407 L CA 0.498 55.245 54.840 -0.155 0.000 0.793 407 L CB -0.108 41.863 42.059 -0.147 0.000 0.927 407 L HN 0.007 nan 8.230 nan 0.000 0.446 408 M N -0.699 118.727 119.600 -0.289 0.000 2.236 408 M HA -0.082 4.398 4.480 -0.000 0.000 0.266 408 M C 2.362 178.586 176.300 -0.125 0.000 1.070 408 M CA 1.485 56.616 55.300 -0.282 0.000 1.137 408 M CB -0.499 31.838 32.600 -0.439 0.000 1.378 408 M HN 0.187 nan 8.290 nan 0.000 0.426 409 I N 0.303 120.821 120.570 -0.087 0.000 2.151 409 I HA -0.378 3.792 4.170 -0.000 0.000 0.243 409 I C 2.422 178.503 176.117 -0.060 0.000 1.080 409 I CA 1.610 62.901 61.300 -0.015 0.000 1.339 409 I CB -0.409 37.537 38.000 -0.090 0.000 1.039 409 I HN 0.418 nan 8.210 nan 0.000 0.409 410 Q N 0.258 119.993 119.800 -0.110 0.000 2.119 410 Q HA -0.145 4.195 4.340 -0.000 0.000 0.201 410 Q C 2.439 178.387 176.000 -0.086 0.000 0.972 410 Q CA 1.594 57.328 55.803 -0.114 0.000 0.847 410 Q CB -0.221 28.450 28.738 -0.111 0.000 0.903 410 Q HN 0.577 nan 8.270 nan 0.000 0.433 411 A N 1.252 124.017 122.820 -0.091 0.000 1.902 411 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 411 A C 1.986 179.527 177.584 -0.071 0.000 1.181 411 A CA 1.289 53.269 52.037 -0.094 0.000 0.623 411 A CB -0.371 18.553 19.000 -0.127 0.000 0.818 411 A HN 0.199 nan 8.150 nan 0.000 0.443 412 R N -0.821 119.668 120.500 -0.019 0.000 2.081 412 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 412 R C 2.216 178.600 176.300 0.140 0.000 1.131 412 R CA 1.477 57.596 56.100 0.032 0.000 0.960 412 R CB -0.265 30.082 30.300 0.078 0.000 0.856 412 R HN 0.624 nan 8.270 nan 0.000 0.436 413 E N 0.522 120.851 120.200 0.215 0.000 2.118 413 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 413 E C 1.725 178.313 176.600 -0.020 0.000 0.992 413 E CA 1.436 57.910 56.400 0.124 0.000 0.804 413 E CB 0.082 29.731 29.700 -0.084 0.000 0.741 413 E HN 0.102 nan 8.360 nan 0.000 0.458 414 M N -0.571 118.984 119.600 -0.075 0.000 2.287 414 M HA -0.010 4.470 4.480 -0.000 0.000 0.266 414 M C 2.195 178.443 176.300 -0.088 0.000 1.079 414 M CA 0.604 55.834 55.300 -0.115 0.000 1.146 414 M CB -0.502 32.055 32.600 -0.071 0.000 1.374 414 M HN 0.077 nan 8.290 nan 0.000 0.435 415 V N 0.563 120.407 119.914 -0.116 0.000 2.332 415 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 415 V C 2.567 178.577 176.094 -0.139 0.000 1.055 415 V CA 2.145 64.325 62.300 -0.200 0.000 1.038 415 V CB -0.990 30.622 31.823 -0.352 0.000 0.651 415 V HN 0.477 nan 8.190 nan 0.000 0.450 416 R N 0.462 120.912 120.500 -0.082 0.000 2.073 416 R HA -0.213 4.127 4.340 -0.000 0.000 0.234 416 R C 2.428 178.773 176.300 0.075 0.000 1.134 416 R CA 2.185 58.276 56.100 -0.015 0.000 0.952 416 R CB -0.279 30.049 30.300 0.047 0.000 0.850 416 R HN 0.473 nan 8.270 nan 0.000 0.433 417 K N -0.608 119.768 120.400 -0.041 0.000 2.103 417 K HA -0.047 4.273 4.320 -0.000 0.000 0.204 417 K C 1.996 178.554 176.600 -0.070 0.000 1.052 417 K CA 1.335 57.434 56.287 -0.314 0.000 0.945 417 K CB -0.283 31.601 32.500 -1.026 0.000 0.722 417 K HN 0.367 nan 8.250 nan 0.000 0.443 418 G N 0.881 109.696 108.800 0.024 0.000 2.446 418 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.217 418 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.217 418 G C 1.392 176.404 174.900 0.187 0.000 1.168 418 G CA 0.985 46.201 45.100 0.193 0.000 0.771 418 G HN 0.423 nan 8.290 nan 0.000 0.551 419 Q N -0.791 119.043 119.800 0.057 0.000 2.079 419 Q HA -0.046 4.294 4.340 -0.000 0.000 0.200 419 Q C 2.157 177.868 176.000 -0.482 0.000 0.974 419 Q CA 1.183 56.803 55.803 -0.306 0.000 0.840 419 Q CB -0.334 28.380 28.738 -0.041 0.000 0.898 419 Q HN 0.496 nan 8.270 nan 0.000 0.430 420 F N -0.509 119.360 119.950 -0.134 0.000 2.216 420 F HA -0.200 4.327 4.527 -0.000 0.000 0.300 420 F C 1.194 177.062 175.800 0.114 0.000 1.085 420 F CA 0.962 58.969 58.000 0.012 0.000 1.326 420 F CB 0.038 39.189 39.000 0.252 0.000 1.027 420 F HN 0.117 nan 8.300 nan 0.000 0.497 421 F N 0.493 120.389 119.950 -0.090 0.000 2.163 421 F HA -0.154 4.372 4.527 -0.000 0.000 0.297 421 F C 2.327 178.122 175.800 -0.007 0.000 1.094 421 F CA 1.294 59.254 58.000 -0.067 0.000 1.290 421 F CB -1.344 37.718 39.000 0.105 0.000 1.017 421 F HN 0.271 nan 8.300 nan 0.000 0.483 422 W N -0.229 121.201 121.300 0.216 0.000 2.467 422 W HA -0.079 4.581 4.660 -0.000 0.000 0.275 422 W C 1.276 177.859 176.519 0.106 0.000 1.239 422 W CA 0.922 58.342 57.345 0.125 0.000 1.266 422 W CB -0.815 28.698 29.460 0.089 0.000 1.112 422 W HN 0.024 nan 8.180 nan 0.000 0.576 423 D N 0.653 120.869 120.400 -0.305 0.000 2.162 423 D HA -0.198 4.441 4.640 -0.000 0.000 0.203 423 D C 1.897 178.142 176.300 -0.091 0.000 0.967 423 D CA 0.973 54.805 54.000 -0.279 0.000 0.840 423 D CB -0.817 39.615 40.800 -0.614 0.000 0.972 423 D HN 0.208 nan 8.370 nan 0.000 0.482 424 Y N 0.185 120.255 120.300 -0.384 0.000 2.256 424 Y HA -0.219 4.330 4.550 -0.000 0.000 0.288 424 Y C 1.964 177.796 175.900 -0.113 0.000 1.155 424 Y CA 1.309 59.195 58.100 -0.357 0.000 1.203 424 Y CB 0.164 38.267 38.460 -0.596 0.000 0.980 424 Y HN -0.122 nan 8.280 nan 0.000 0.530 425 V N -1.322 118.719 119.914 0.211 0.000 2.426 425 V HA -0.182 3.938 4.120 -0.000 0.000 0.242 425 V C 2.465 178.681 176.094 0.203 0.000 1.036 425 V CA 1.495 63.921 62.300 0.210 0.000 1.044 425 V CB -0.557 31.389 31.823 0.206 0.000 0.688 425 V HN 0.475 nan 8.190 nan 0.000 0.462 426 S N 1.144 117.016 115.700 0.286 0.000 2.370 426 S HA -0.220 4.250 4.470 -0.000 0.000 0.226 426 S C 2.067 176.873 174.600 0.343 0.000 1.033 426 S CA 1.958 60.363 58.200 0.342 0.000 1.011 426 S CB -0.388 63.130 63.200 0.530 0.000 0.852 426 S HN 0.578 nan 8.310 nan 0.000 0.457 427 A N 0.933 123.917 122.820 0.274 0.000 2.015 427 A HA 0.087 4.407 4.320 -0.000 0.000 0.219 427 A C 1.304 179.013 177.584 0.209 0.000 1.163 427 A CA 0.711 52.887 52.037 0.232 0.000 0.646 427 A CB -0.433 18.592 19.000 0.043 0.000 0.806 427 A HN 0.623 nan 8.150 nan 0.000 0.448 428 E N 0.725 121.009 120.200 0.140 0.000 2.316 428 E HA 0.064 4.414 4.350 -0.000 0.000 0.275 428 E C -0.195 176.509 176.600 0.174 0.000 1.029 428 E CA -0.250 56.233 56.400 0.138 0.000 0.871 428 E CB 0.270 30.012 29.700 0.071 0.000 1.022 428 E HN 0.400 nan 8.360 nan 0.000 0.418 429 N N 1.510 120.323 118.700 0.187 0.000 2.461 429 N HA -0.074 4.666 4.740 -0.000 0.000 0.188 429 N C 1.072 176.625 175.510 0.071 0.000 1.134 429 N CA 0.405 53.554 53.050 0.165 0.000 0.878 429 N CB 0.328 38.930 38.487 0.192 0.000 0.972 429 N HN 0.345 nan 8.380 nan 0.000 0.456 430 S N -0.595 115.071 115.700 -0.055 0.000 2.535 430 S HA 0.053 4.523 4.470 -0.000 0.000 0.214 430 S C 0.926 175.504 174.600 -0.037 0.000 0.980 430 S CA -0.210 57.869 58.200 -0.202 0.000 0.907 430 S CB 0.031 62.715 63.200 -0.859 0.000 0.790 430 S HN -0.011 nan 8.310 nan 0.000 0.510 431 V N 0.986 120.918 119.914 0.031 0.000 5.487 431 V HA -0.162 3.958 4.120 -0.000 0.000 0.302 431 V C 1.542 177.647 176.094 0.018 0.000 0.511 431 V CA 0.632 62.955 62.300 0.037 0.000 0.684 431 V CB -2.902 28.893 31.823 -0.047 0.000 0.458 431 V HN 1.240 nan 8.190 nan 0.000 1.195 432 G N -0.718 108.108 108.800 0.043 0.000 2.217 432 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.246 432 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.246 432 G C 0.371 175.319 174.900 0.079 0.000 0.990 432 G CA 0.579 45.713 45.100 0.057 0.000 0.627 432 G HN 1.336 nan 8.290 nan 0.000 0.522 433 F N 1.482 121.403 119.950 -0.049 0.000 2.171 433 F HA 0.049 4.576 4.527 -0.000 0.000 0.300 433 F C 2.416 178.292 175.800 0.126 0.000 1.090 433 F CA 2.469 60.475 58.000 0.010 0.000 1.293 433 F CB -0.317 38.672 39.000 -0.019 0.000 1.013 433 F HN 0.440 nan 8.300 nan 0.000 0.486 434 H N -1.446 117.641 119.070 0.029 0.000 2.387 434 H HA -0.126 4.430 4.556 -0.000 0.000 0.299 434 H C 0.413 175.680 175.328 -0.100 0.000 1.099 434 H CA 1.075 57.114 56.048 -0.014 0.000 1.315 434 H CB -0.030 29.819 29.762 0.143 0.000 1.380 434 H HN 0.070 nan 8.280 nan 0.000 0.513 435 N N -1.109 117.617 118.700 0.043 0.000 2.751 435 N HA 0.071 4.811 4.740 -0.000 0.000 0.234 435 N C -2.410 173.093 175.510 -0.011 0.000 1.403 435 N CA -1.280 51.759 53.050 -0.018 0.000 0.747 435 N CB 0.881 39.370 38.487 0.004 0.000 1.326 435 N HN -0.063 nan 8.380 nan 0.000 0.532 436 P HA -0.112 nan 4.420 nan 0.000 0.214 436 P C 1.158 178.465 177.300 0.011 0.000 1.163 436 P CA 1.578 64.681 63.100 0.005 0.000 0.889 436 P CB 0.377 32.085 31.700 0.013 0.000 0.790 437 A N -0.387 122.430 122.820 -0.006 0.000 1.902 437 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 437 A C 2.284 179.868 177.584 -0.001 0.000 1.181 437 A CA 1.681 53.716 52.037 -0.004 0.000 0.623 437 A CB -1.153 17.837 19.000 -0.016 0.000 0.818 437 A HN 0.083 nan 8.150 nan 0.000 0.443 438 K N -0.538 119.859 120.400 -0.006 0.000 2.097 438 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 438 K C 2.250 178.857 176.600 0.012 0.000 1.050 438 K CA 1.044 57.328 56.287 -0.006 0.000 0.938 438 K CB -0.252 32.245 32.500 -0.005 0.000 0.718 438 K HN 0.420 nan 8.250 nan 0.000 0.442 439 A N 1.291 124.135 122.820 0.040 0.000 1.873 439 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 439 A C 2.133 179.747 177.584 0.049 0.000 1.186 439 A CA 1.089 53.164 52.037 0.064 0.000 0.616 439 A CB -0.568 18.475 19.000 0.073 0.000 0.823 439 A HN 0.229 nan 8.150 nan 0.000 0.442 440 L N -0.669 120.574 121.223 0.032 0.000 2.056 440 L HA -0.190 4.149 4.340 -0.000 0.000 0.207 440 L C 2.419 179.300 176.870 0.019 0.000 1.078 440 L CA 1.840 56.692 54.840 0.021 0.000 0.749 440 L CB -0.553 41.515 42.059 0.014 0.000 0.901 440 L HN 0.501 nan 8.230 nan 0.000 0.433 441 D N -0.670 119.740 120.400 0.018 0.000 2.117 441 D HA -0.174 4.466 4.640 -0.000 0.000 0.198 441 D C 1.987 178.315 176.300 0.047 0.000 0.982 441 D CA 1.547 55.557 54.000 0.018 0.000 0.828 441 D CB 0.191 40.999 40.800 0.014 0.000 0.967 441 D HN 0.093 nan 8.370 nan 0.000 0.464 442 T N 0.039 114.629 114.554 0.061 0.000 2.746 442 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 442 T C 1.968 176.787 174.700 0.199 0.000 1.039 442 T CA 0.897 63.079 62.100 0.136 0.000 1.142 442 T CB -0.240 68.605 68.868 -0.039 0.000 0.866 442 T HN 0.172 nan 8.240 nan 0.000 0.444 443 L N 0.597 121.890 121.223 0.117 0.000 2.109 443 L HA 0.002 4.342 4.340 -0.000 0.000 0.207 443 L C 3.049 179.936 176.870 0.028 0.000 1.086 443 L CA 0.976 55.878 54.840 0.103 0.000 0.760 443 L CB -0.681 41.421 42.059 0.071 0.000 0.910 443 L HN 0.227 nan 8.230 nan 0.000 0.437 444 A N -0.208 122.608 122.820 -0.007 0.000 1.877 444 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 444 A C 2.246 179.735 177.584 -0.159 0.000 1.186 444 A CA 1.524 53.522 52.037 -0.065 0.000 0.620 444 A CB -0.467 18.500 19.000 -0.055 0.000 0.822 444 A HN 0.462 nan 8.150 nan 0.000 0.443 445 Q N -0.702 118.986 119.800 -0.187 0.000 2.124 445 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 445 Q C 2.449 177.981 176.000 -0.780 0.000 0.977 445 Q CA 1.553 57.044 55.803 -0.521 0.000 0.850 445 Q CB -0.307 28.206 28.738 -0.374 0.000 0.901 445 Q HN 0.684 nan 8.270 nan 0.000 0.429 446 S N 0.702 116.252 115.700 -0.250 0.000 2.359 446 S HA -0.268 4.202 4.470 -0.000 0.000 0.224 446 S C 1.932 176.475 174.600 -0.095 0.000 1.035 446 S CA 1.537 59.711 58.200 -0.042 0.000 1.018 446 S CB -0.095 63.260 63.200 0.259 0.000 0.876 446 S HN 0.344 nan 8.310 nan 0.000 0.448 447 Q N 0.101 119.841 119.800 -0.101 0.000 2.096 447 Q HA -0.249 4.091 4.340 -0.000 0.000 0.208 447 Q C 2.518 178.423 176.000 -0.158 0.000 0.993 447 Q CA 2.238 57.980 55.803 -0.101 0.000 0.862 447 Q CB -0.241 28.439 28.738 -0.096 0.000 0.915 447 Q HN 0.686 nan 8.270 nan 0.000 0.416 448 Q N -0.561 119.059 119.800 -0.299 0.000 2.061 448 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 448 Q C 1.847 177.715 176.000 -0.220 0.000 0.984 448 Q CA 1.681 57.292 55.803 -0.320 0.000 0.846 448 Q CB -0.154 28.290 28.738 -0.491 0.000 0.902 448 Q HN 0.416 nan 8.270 nan 0.000 0.421 449 F N -0.150 119.704 119.950 -0.160 0.000 2.113 449 F HA -0.197 4.330 4.527 -0.000 0.000 0.297 449 F C 2.670 178.389 175.800 -0.134 0.000 1.103 449 F CA 0.444 58.332 58.000 -0.187 0.000 1.248 449 F CB -0.210 38.614 39.000 -0.292 0.000 0.999 449 F HN -0.015 nan 8.300 nan 0.000 0.475 450 S N -0.242 115.500 115.700 0.071 0.000 2.370 450 S HA -0.293 4.177 4.470 -0.000 0.000 0.226 450 S C 1.894 176.479 174.600 -0.024 0.000 1.033 450 S CA 1.588 59.795 58.200 0.012 0.000 1.011 450 S CB -0.411 62.805 63.200 0.027 0.000 0.852 450 S HN 0.289 nan 8.310 nan 0.000 0.457 451 Q N 1.620 121.401 119.800 -0.031 0.000 2.119 451 Q HA -0.007 4.333 4.340 -0.000 0.000 0.201 451 Q C 1.941 177.923 176.000 -0.030 0.000 0.972 451 Q CA 1.662 57.443 55.803 -0.036 0.000 0.847 451 Q CB -0.276 28.435 28.738 -0.045 0.000 0.903 451 Q HN 0.475 nan 8.270 nan 0.000 0.433 452 K N -0.823 119.566 120.400 -0.018 0.000 2.147 452 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 452 K C 1.840 178.418 176.600 -0.037 0.000 1.049 452 K CA 1.066 57.344 56.287 -0.015 0.000 0.936 452 K CB -0.282 32.226 32.500 0.013 0.000 0.722 452 K HN 0.265 nan 8.250 nan 0.000 0.446 453 A N 1.267 124.060 122.820 -0.045 0.000 1.908 453 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 453 A C 2.042 179.574 177.584 -0.086 0.000 1.181 453 A CA 1.652 53.644 52.037 -0.077 0.000 0.627 453 A CB -0.612 18.330 19.000 -0.096 0.000 0.818 453 A HN 0.344 nan 8.150 nan 0.000 0.445 454 I N -0.096 120.432 120.570 -0.070 0.000 2.226 454 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 454 I C 1.911 177.986 176.117 -0.070 0.000 1.100 454 I CA 1.538 62.799 61.300 -0.065 0.000 1.374 454 I CB -0.502 37.472 38.000 -0.043 0.000 1.057 454 I HN 0.246 nan 8.210 nan 0.000 0.413 455 D N 0.924 121.295 120.400 -0.049 0.000 2.097 455 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 455 D C 2.321 178.569 176.300 -0.087 0.000 0.989 455 D CA 1.352 55.331 54.000 -0.036 0.000 0.827 455 D CB -0.351 40.444 40.800 -0.007 0.000 0.966 455 D HN 0.292 nan 8.370 nan 0.000 0.456 456 L N 0.495 121.663 121.223 -0.092 0.000 2.141 456 L HA -0.066 4.274 4.340 -0.000 0.000 0.209 456 L C 2.406 179.175 176.870 -0.168 0.000 1.094 456 L CA 0.962 55.731 54.840 -0.119 0.000 0.763 456 L CB -0.301 41.695 42.059 -0.105 0.000 0.908 456 L HN -0.036 nan 8.230 nan 0.000 0.437 457 A N -0.769 121.951 122.820 -0.167 0.000 2.016 457 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 457 A C 2.294 179.732 177.584 -0.243 0.000 1.162 457 A CA 1.057 52.983 52.037 -0.184 0.000 0.662 457 A CB -0.269 18.645 19.000 -0.144 0.000 0.812 457 A HN 0.315 nan 8.150 nan 0.000 0.450 458 M N -1.383 118.035 119.600 -0.304 0.000 2.287 458 M HA -0.049 4.431 4.480 -0.000 0.000 0.266 458 M C 2.134 177.904 176.300 -0.882 0.000 1.079 458 M CA 1.268 56.250 55.300 -0.530 0.000 1.146 458 M CB -0.153 32.181 32.600 -0.443 0.000 1.374 458 M HN 0.593 nan 8.290 nan 0.000 0.435 459 E N 0.768 120.578 120.200 -0.650 0.000 2.077 459 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 459 E C 1.879 178.337 176.600 -0.237 0.000 0.989 459 E CA 1.349 57.483 56.400 -0.443 0.000 0.800 459 E CB 0.051 29.650 29.700 -0.168 0.000 0.746 459 E HN 0.466 nan 8.360 nan 0.000 0.452 460 A N 0.334 123.046 122.820 -0.181 0.000 2.024 460 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 460 A C 2.144 179.783 177.584 0.092 0.000 1.164 460 A CA 2.062 54.081 52.037 -0.030 0.000 0.643 460 A CB -0.567 18.349 19.000 -0.140 0.000 0.806 460 A HN 0.437 nan 8.150 nan 0.000 0.451 461 T N -4.225 110.252 114.554 -0.128 0.000 3.174 461 T HA 0.342 4.692 4.350 -0.000 0.000 0.269 461 T C 0.279 174.865 174.700 -0.189 0.000 1.017 461 T CA 0.327 62.286 62.100 -0.235 0.000 0.899 461 T CB -0.132 68.297 68.868 -0.732 0.000 1.077 461 T HN 0.523 nan 8.240 nan 0.000 0.552 462 Q N 0.443 120.168 119.800 -0.126 0.000 2.457 462 Q HA -0.272 4.068 4.340 -0.000 0.000 0.283 462 Q C -0.681 175.398 176.000 0.132 0.000 1.234 462 Q CA 0.647 56.471 55.803 0.034 0.000 0.877 462 Q CB -2.365 26.445 28.738 0.120 0.000 1.250 462 Q HN 0.842 nan 8.270 nan 0.000 0.481 463 Y N -4.680 115.578 120.300 -0.070 0.000 4.668 463 Y HA -0.313 4.236 4.550 -0.000 0.000 0.234 463 Y C 1.564 177.417 175.900 -0.079 0.000 1.056 463 Y CA 0.872 58.930 58.100 -0.069 0.000 2.025 463 Y CB -1.992 36.448 38.460 -0.032 0.000 1.613 463 Y HN 0.459 nan 8.280 nan 0.000 0.653 464 G N 0.798 109.534 108.800 -0.106 0.000 2.443 464 G HA2 -0.113 3.846 3.960 -0.000 0.000 0.219 464 G HA3 -0.113 3.846 3.960 -0.000 0.000 0.219 464 G C 1.397 176.234 174.900 -0.105 0.000 1.131 464 G CA 1.052 46.110 45.100 -0.071 0.000 0.775 464 G HN 0.762 nan 8.290 nan 0.000 0.547 465 I N -1.733 118.691 120.570 -0.243 0.000 3.578 465 I HA 0.323 4.493 4.170 -0.000 0.000 0.295 465 I C 2.330 178.430 176.117 -0.028 0.000 1.280 465 I CA 0.484 61.712 61.300 -0.120 0.000 1.347 465 I CB -0.246 37.655 38.000 -0.165 0.000 1.051 465 I HN -0.019 nan 8.210 nan 0.000 0.460 466 G N 3.498 112.297 108.800 -0.002 0.000 2.529 466 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.219 466 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.219 466 G C 1.634 176.557 174.900 0.039 0.000 1.177 466 G CA 1.642 46.767 45.100 0.043 0.000 0.773 466 G HN 0.683 nan 8.290 nan 0.000 0.573 467 K N 0.140 120.567 120.400 0.045 0.000 2.160 467 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 467 K C 1.553 178.177 176.600 0.039 0.000 1.047 467 K CA 1.815 58.127 56.287 0.042 0.000 0.930 467 K CB -0.176 32.354 32.500 0.051 0.000 0.720 467 K HN 0.177 nan 8.250 nan 0.000 0.450 468 D N 0.315 120.739 120.400 0.041 0.000 2.348 468 D HA 0.050 4.690 4.640 -0.000 0.000 0.211 468 D C 1.074 177.396 176.300 0.037 0.000 0.998 468 D CA 0.655 54.682 54.000 0.045 0.000 0.873 468 D CB 0.298 41.134 40.800 0.060 0.000 0.925 468 D HN 0.256 nan 8.370 nan 0.000 0.524 469 L N 0.064 121.304 121.223 0.028 0.000 2.818 469 L HA 0.159 4.498 4.340 -0.000 0.000 0.243 469 L C 1.848 178.728 176.870 0.018 0.000 1.185 469 L CA -0.035 54.818 54.840 0.022 0.000 0.988 469 L CB 0.532 42.601 42.059 0.016 0.000 1.292 469 L HN -0.195 nan 8.230 nan 0.000 0.519 470 S N 0.076 115.787 115.700 0.018 0.000 2.377 470 S HA 0.029 4.499 4.470 -0.000 0.000 0.223 470 S C 1.498 176.102 174.600 0.008 0.000 1.030 470 S CA 0.839 59.047 58.200 0.014 0.000 0.970 470 S CB -0.051 63.158 63.200 0.014 0.000 0.830 470 S HN 0.565 nan 8.310 nan 0.000 0.473 471 G N 1.303 110.108 108.800 0.007 0.000 2.466 471 G HA2 0.090 4.050 3.960 -0.000 0.000 0.279 471 G HA3 0.090 4.050 3.960 -0.000 0.000 0.279 471 G C -0.387 174.514 174.900 0.002 0.000 1.410 471 G CA -0.301 44.800 45.100 0.003 0.000 1.065 471 G HN 0.345 nan 8.290 nan 0.000 0.547 472 D N -1.158 119.243 120.400 0.001 0.000 2.348 472 D HA 0.053 4.692 4.640 -0.000 0.000 0.253 472 D C 1.411 177.718 176.300 0.012 0.000 1.161 472 D CA -0.604 53.399 54.000 0.004 0.000 0.876 472 D CB 0.953 41.753 40.800 0.000 0.000 1.160 472 D HN 0.089 nan 8.370 nan 0.000 0.459 473 I N 3.977 124.560 120.570 0.021 0.000 2.399 473 I HA -0.231 3.939 4.170 -0.000 0.000 0.254 473 I C 1.751 177.915 176.117 0.078 0.000 1.146 473 I CA 1.564 62.882 61.300 0.030 0.000 1.412 473 I CB -0.039 37.965 38.000 0.007 0.000 1.076 473 I HN 0.444 nan 8.210 nan 0.000 0.432 474 K N -0.878 119.573 120.400 0.085 0.000 2.288 474 K HA -0.040 4.280 4.320 -0.000 0.000 0.201 474 K C 1.794 178.394 176.600 -0.000 0.000 1.048 474 K CA 1.478 57.802 56.287 0.061 0.000 0.956 474 K CB -0.144 32.348 32.500 -0.013 0.000 0.746 474 K HN 0.365 nan 8.250 nan 0.000 0.461 475 T N 1.589 116.138 114.554 -0.008 0.000 2.939 475 T HA 0.025 4.375 4.350 -0.000 0.000 0.254 475 T C 1.928 176.601 174.700 -0.045 0.000 1.041 475 T CA 0.652 62.734 62.100 -0.030 0.000 1.142 475 T CB 0.032 68.887 68.868 -0.022 0.000 0.874 475 T HN 0.335 nan 8.240 nan 0.000 0.452 476 I N -0.615 119.936 120.570 -0.032 0.000 2.584 476 I HA 0.186 4.356 4.170 -0.000 0.000 0.255 476 I C 0.050 176.115 176.117 -0.087 0.000 1.145 476 I CA 0.727 62.003 61.300 -0.040 0.000 1.462 476 I CB 0.161 38.157 38.000 -0.006 0.000 1.102 476 I HN -0.142 nan 8.210 nan 0.000 0.433 477 V N 3.819 123.674 119.914 -0.098 0.000 2.327 477 V HA 0.447 4.567 4.120 -0.000 0.000 0.272 477 V C -2.496 173.573 176.094 -0.041 0.000 1.019 477 V CA -1.502 60.671 62.300 -0.212 0.000 0.814 477 V CB 0.602 32.189 31.823 -0.394 0.000 1.040 477 V HN 0.102 nan 8.190 nan 0.000 0.440 478 P HA 0.214 nan 4.420 nan 0.000 0.268 478 P C -2.618 174.735 177.300 0.089 0.000 1.205 478 P CA -1.268 61.837 63.100 0.009 0.000 0.771 478 P CB -0.055 31.618 31.700 -0.044 0.000 0.858 479 P HA 0.068 nan 4.420 nan 0.000 0.265 479 P C -0.301 176.965 177.300 -0.056 0.000 1.193 479 P CA 0.555 63.538 63.100 -0.196 0.000 0.765 479 P CB 0.109 31.550 31.700 -0.433 0.000 0.823 480 I N 3.927 124.470 120.570 -0.044 0.000 2.294 480 I HA 0.037 4.207 4.170 -0.000 0.000 0.295 480 I C 1.550 177.729 176.117 0.104 0.000 1.098 480 I CA -0.234 61.068 61.300 0.002 0.000 1.277 480 I CB 0.630 38.623 38.000 -0.012 0.000 1.434 480 I HN 0.334 nan 8.210 nan 0.000 0.498 481 L N 6.803 128.099 121.223 0.122 0.000 2.068 481 L HA 0.129 4.469 4.340 -0.000 0.000 0.204 481 L C 0.722 177.712 176.870 0.199 0.000 1.076 481 L CA 1.795 56.719 54.840 0.140 0.000 0.753 481 L CB -0.133 41.992 42.059 0.111 0.000 0.910 481 L HN 0.331 nan 8.230 nan 0.000 0.439 482 K N 0.611 121.173 120.400 0.270 0.000 2.244 482 K HA 0.517 4.837 4.320 -0.000 0.000 0.260 482 K C -1.093 175.762 176.600 0.425 0.000 0.951 482 K CA -0.386 56.076 56.287 0.291 0.000 0.826 482 K CB 1.938 34.586 32.500 0.246 0.000 1.108 482 K HN 0.004 nan 8.250 nan 0.000 0.433 483 M N 2.938 122.715 119.600 0.296 0.000 2.331 483 M HA 0.166 4.646 4.480 -0.000 0.000 0.249 483 M C -1.776 174.667 176.300 0.239 0.000 1.010 483 M CA -0.826 54.650 55.300 0.294 0.000 0.939 483 M CB 1.474 34.249 32.600 0.292 0.000 2.126 483 M HN 0.786 nan 8.290 nan 0.000 0.472 484 N N 1.351 120.148 118.700 0.162 0.000 2.774 484 N HA 0.585 5.325 4.740 -0.000 0.000 0.264 484 N C 0.122 175.622 175.510 -0.017 0.000 1.415 484 N CA -0.883 52.263 53.050 0.161 0.000 0.815 484 N CB 1.247 39.761 38.487 0.046 0.000 1.514 484 N HN 0.463 nan 8.380 nan 0.000 0.523 485 R N -0.688 119.602 120.500 -0.350 0.000 2.105 485 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 485 R C 1.255 177.243 176.300 -0.519 0.000 1.135 485 R CA 1.405 57.157 56.100 -0.580 0.000 0.967 485 R CB -0.243 29.666 30.300 -0.651 0.000 0.861 485 R HN 0.537 nan 8.270 nan 0.000 0.442 486 K N 1.301 121.415 120.400 -0.478 0.000 2.001 486 K HA -0.078 4.242 4.320 -0.000 0.000 0.208 486 K C 1.879 178.302 176.600 -0.295 0.000 1.048 486 K CA 1.339 57.364 56.287 -0.437 0.000 0.932 486 K CB -0.392 31.976 32.500 -0.221 0.000 0.715 486 K HN 0.062 nan 8.250 nan 0.000 0.437 487 L N 0.639 121.683 121.223 -0.297 0.000 2.127 487 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 487 L C 2.638 179.400 176.870 -0.179 0.000 1.089 487 L CA 1.433 56.010 54.840 -0.438 0.000 0.757 487 L CB -0.386 41.125 42.059 -0.913 0.000 0.899 487 L HN 0.412 nan 8.230 nan 0.000 0.434 488 Q N -0.271 119.482 119.800 -0.078 0.000 2.437 488 Q HA -0.202 4.138 4.340 -0.000 0.000 0.210 488 Q C 2.013 178.000 176.000 -0.022 0.000 0.972 488 Q CA 0.861 56.672 55.803 0.013 0.000 0.903 488 Q CB 0.157 28.929 28.738 0.056 0.000 0.967 488 Q HN 0.572 nan 8.270 nan 0.000 0.486 489 Q N -0.072 119.675 119.800 -0.089 0.000 2.269 489 Q HA -0.057 4.283 4.340 -0.000 0.000 0.201 489 Q C -0.013 175.976 176.000 -0.019 0.000 0.946 489 Q CA 0.293 56.049 55.803 -0.077 0.000 0.877 489 Q CB 0.307 28.961 28.738 -0.139 0.000 0.963 489 Q HN 0.201 nan 8.270 nan 0.000 0.472 490 D N 0.728 121.134 120.400 0.010 0.000 2.336 490 D HA 0.040 4.679 4.640 -0.000 0.000 0.249 490 D C -1.952 174.421 176.300 0.122 0.000 1.213 490 D CA -2.158 51.881 54.000 0.065 0.000 0.870 490 D CB 1.420 42.264 40.800 0.072 0.000 1.076 490 D HN -0.087 nan 8.370 nan 0.000 0.483 491 P HA -0.059 nan 4.420 nan 0.000 0.223 491 P C 0.754 178.117 177.300 0.105 0.000 1.151 491 P CA 0.690 63.840 63.100 0.083 0.000 0.787 491 P CB 0.502 32.235 31.700 0.055 0.000 0.788 492 E N -1.409 118.865 120.200 0.125 0.000 2.190 492 E HA -0.039 4.311 4.350 -0.000 0.000 0.191 492 E C 1.684 178.396 176.600 0.186 0.000 0.978 492 E CA 0.500 56.978 56.400 0.130 0.000 0.839 492 E CB -1.034 28.732 29.700 0.109 0.000 0.787 492 E HN 0.291 nan 8.360 nan 0.000 0.473 493 F N 1.335 121.338 119.950 0.089 0.000 2.171 493 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 493 F C 1.816 177.748 175.800 0.221 0.000 1.090 493 F CA 1.068 59.150 58.000 0.136 0.000 1.293 493 F CB 0.025 39.072 39.000 0.079 0.000 1.013 493 F HN -0.099 nan 8.300 nan 0.000 0.486 494 M N 0.345 120.009 119.600 0.107 0.000 2.700 494 M HA -0.088 4.392 4.480 -0.000 0.000 0.249 494 M C 1.349 177.769 176.300 0.199 0.000 1.082 494 M CA 1.154 56.489 55.300 0.058 0.000 1.077 494 M CB -1.101 31.534 32.600 0.058 0.000 1.477 494 M HN 0.194 nan 8.290 nan 0.000 0.529 495 K N -0.668 119.814 120.400 0.137 0.000 2.367 495 K HA 0.059 4.379 4.320 -0.000 0.000 0.194 495 K C 1.552 178.185 176.600 0.054 0.000 1.027 495 K CA 0.545 56.892 56.287 0.101 0.000 1.075 495 K CB 0.240 32.780 32.500 0.068 0.000 0.845 495 K HN 0.360 nan 8.250 nan 0.000 0.529 496 T N -1.437 113.138 114.554 0.035 0.000 3.148 496 T HA -0.023 4.327 4.350 -0.000 0.000 0.253 496 T C 0.327 174.906 174.700 -0.201 0.000 1.134 496 T CA 0.348 62.410 62.100 -0.062 0.000 1.051 496 T CB -0.115 68.731 68.868 -0.038 0.000 0.959 496 T HN 0.063 nan 8.240 nan 0.000 0.525 497 H N 0.694 119.463 119.070 -0.502 0.000 3.038 497 H HA 0.275 4.830 4.556 -0.000 0.000 0.362 497 H C 0.465 175.599 175.328 -0.324 0.000 1.167 497 H CA -0.720 54.949 56.048 -0.632 0.000 1.197 497 H CB 2.223 31.204 29.762 -1.301 0.000 1.840 497 H HN 0.028 nan 8.280 nan 0.000 0.540 498 K N 2.079 122.369 120.400 -0.183 0.000 2.365 498 K HA -0.054 4.266 4.320 -0.000 0.000 0.199 498 K C 0.645 177.549 176.600 0.507 0.000 1.045 498 K CA 0.625 56.987 56.287 0.124 0.000 0.962 498 K CB -0.034 32.517 32.500 0.085 0.000 0.759 498 K HN 0.378 nan 8.250 nan 0.000 0.469 499 W N 0.434 121.972 121.300 0.396 0.000 2.770 499 W HA 0.142 4.802 4.660 -0.000 0.000 0.256 499 W C 1.338 178.149 176.519 0.487 0.000 1.291 499 W CA -0.215 57.418 57.345 0.481 0.000 1.396 499 W CB -0.424 29.255 29.460 0.364 0.000 1.114 499 W HN -0.051 nan 8.180 nan 0.000 0.637 500 F N 1.005 121.190 119.950 0.392 0.000 2.546 500 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 500 F C 2.358 178.215 175.800 0.094 0.000 1.120 500 F CA 0.951 59.060 58.000 0.182 0.000 1.456 500 F CB -1.459 37.577 39.000 0.060 0.000 1.088 500 F HN 0.197 nan 8.300 nan 0.000 0.572 501 Q N -1.156 118.756 119.800 0.188 0.000 2.472 501 Q HA -0.147 4.193 4.340 -0.000 0.000 0.208 501 Q C 0.818 176.667 176.000 -0.252 0.000 0.958 501 Q CA 1.233 56.984 55.803 -0.086 0.000 0.932 501 Q CB -0.581 28.022 28.738 -0.225 0.000 1.007 501 Q HN 0.425 nan 8.270 nan 0.000 0.508 502 Y N 0.536 120.911 120.300 0.125 0.000 2.457 502 Y HA 0.332 4.882 4.550 -0.000 0.000 0.263 502 Y C 0.316 176.255 175.900 0.065 0.000 1.164 502 Y CA -0.304 57.833 58.100 0.062 0.000 1.274 502 Y CB 0.679 39.139 38.460 -0.000 0.000 1.097 502 Y HN 0.021 nan 8.280 nan 0.000 0.523 503 L N 2.330 123.664 121.223 0.186 0.000 2.334 503 L HA 0.458 4.797 4.340 -0.000 0.000 0.273 503 L C -2.317 174.604 176.870 0.084 0.000 1.013 503 L CA -2.279 52.640 54.840 0.130 0.000 0.816 503 L CB 1.517 43.649 42.059 0.121 0.000 1.278 503 L HN -0.161 nan 8.230 nan 0.000 0.431 504 P HA 0.140 nan 4.420 nan 0.000 0.279 504 P C -0.640 176.686 177.300 0.043 0.000 1.239 504 P CA -0.351 62.780 63.100 0.052 0.000 0.789 504 P CB 1.237 32.969 31.700 0.052 0.000 0.933 505 V N 4.091 124.026 119.914 0.035 0.000 2.521 505 V HA 0.043 4.163 4.120 -0.000 0.000 0.286 505 V C 0.999 177.103 176.094 0.017 0.000 1.034 505 V CA -0.155 62.161 62.300 0.027 0.000 1.045 505 V CB -0.071 31.770 31.823 0.031 0.000 0.974 505 V HN 0.381 nan 8.190 nan 0.000 0.480 506 L N 7.035 128.259 121.223 0.001 0.000 2.395 506 L HA 0.359 4.699 4.340 -0.000 0.000 0.269 506 L C -2.019 174.835 176.870 -0.027 0.000 1.133 506 L CA -1.743 53.087 54.840 -0.017 0.000 0.812 506 L CB 0.905 42.933 42.059 -0.051 0.000 1.125 506 L HN 0.429 nan 8.230 nan 0.000 0.452 507 P HA -0.047 nan 4.420 nan 0.000 0.264 507 P C -0.869 176.411 177.300 -0.034 0.000 1.183 507 P CA -0.002 63.088 63.100 -0.017 0.000 0.763 507 P CB 0.212 31.908 31.700 -0.006 0.000 0.807 508 K N 2.201 122.586 120.400 -0.025 0.000 2.436 508 K HA 0.383 4.703 4.320 -0.000 0.000 0.282 508 K C 0.083 176.675 176.600 -0.013 0.000 1.044 508 K CA 0.420 56.690 56.287 -0.028 0.000 1.028 508 K CB 0.062 32.554 32.500 -0.013 0.000 0.919 508 K HN 0.513 nan 8.250 nan 0.000 0.474 509 A N 3.649 126.463 122.820 -0.009 0.000 2.517 509 A HA 0.366 4.686 4.320 -0.000 0.000 0.297 509 A C -1.199 176.463 177.584 0.131 0.000 1.050 509 A CA -0.988 51.078 52.037 0.048 0.000 0.694 509 A CB 1.094 20.132 19.000 0.063 0.000 1.277 509 A HN 0.554 nan 8.150 nan 0.000 0.400 510 D N 1.085 121.553 120.400 0.114 0.000 2.339 510 D HA 0.313 4.953 4.640 -0.000 0.000 0.245 510 D C 0.319 176.700 176.300 0.135 0.000 1.115 510 D CA 0.315 54.385 54.000 0.116 0.000 0.917 510 D CB 0.672 41.490 40.800 0.030 0.000 1.192 510 D HN 0.567 nan 8.370 nan 0.000 0.428 511 Q N 0.979 120.804 119.800 0.041 0.000 2.274 511 Q HA 0.048 4.388 4.340 -0.000 0.000 0.280 511 Q C 0.418 176.304 176.000 -0.189 0.000 1.047 511 Q CA -0.194 55.450 55.803 -0.265 0.000 0.907 511 Q CB 0.797 29.354 28.738 -0.302 0.000 1.171 511 Q HN 0.314 nan 8.270 nan 0.000 0.381 512 V N 4.302 124.081 119.914 -0.225 0.000 2.500 512 V HA -0.038 4.082 4.120 -0.000 0.000 0.243 512 V C -0.017 175.828 176.094 -0.416 0.000 1.039 512 V CA 0.794 62.905 62.300 -0.314 0.000 1.053 512 V CB -0.020 31.598 31.823 -0.342 0.000 0.695 512 V HN 0.670 nan 8.190 nan 0.000 0.463 513 W N -0.001 121.189 121.300 -0.184 0.000 2.573 513 W HA 0.555 5.215 4.660 -0.000 0.000 0.326 513 W C -0.769 175.639 176.519 -0.184 0.000 1.049 513 W CA -0.431 56.819 57.345 -0.158 0.000 1.220 513 W CB 1.248 30.611 29.460 -0.161 0.000 1.373 513 W HN -0.035 nan 8.180 nan 0.000 0.507 514 D N 2.048 122.531 120.400 0.137 0.000 2.389 514 D HA 0.451 5.091 4.640 -0.000 0.000 0.256 514 D C 0.731 177.056 176.300 0.043 0.000 1.239 514 D CA 0.584 54.616 54.000 0.053 0.000 0.925 514 D CB 0.368 41.205 40.800 0.062 0.000 1.145 514 D HN 0.575 nan 8.370 nan 0.000 0.542 515 G N 3.499 112.162 108.800 -0.229 0.000 2.574 515 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.301 515 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.301 515 G C 0.810 175.720 174.900 0.016 0.000 1.166 515 G CA 0.574 45.519 45.100 -0.259 0.000 0.971 515 G HN 0.540 nan 8.290 nan 0.000 0.542 516 Q N 0.668 120.552 119.800 0.140 0.000 2.384 516 Q HA 0.150 4.490 4.340 -0.000 0.000 0.207 516 Q C 0.472 176.685 176.000 0.355 0.000 0.904 516 Q CA 0.402 56.340 55.803 0.224 0.000 0.933 516 Q CB 0.391 29.244 28.738 0.192 0.000 1.077 516 Q HN 0.556 nan 8.270 nan 0.000 0.522 517 K N 1.303 121.865 120.400 0.270 0.000 2.249 517 K HA 0.266 4.586 4.320 -0.000 0.000 0.280 517 K C -0.267 176.391 176.600 0.098 0.000 1.033 517 K CA -0.271 56.119 56.287 0.172 0.000 0.946 517 K CB 1.182 33.738 32.500 0.094 0.000 1.005 517 K HN -0.074 nan 8.250 nan 0.000 0.469 518 R N 2.401 122.818 120.500 -0.138 0.000 2.438 518 R HA 0.235 4.575 4.340 -0.000 0.000 0.287 518 R C -0.354 175.810 176.300 -0.228 0.000 1.077 518 R CA -0.328 55.516 56.100 -0.426 0.000 1.034 518 R CB 0.454 30.423 30.300 -0.552 0.000 0.993 518 R HN 0.440 nan 8.270 nan 0.000 0.459 519 L N 3.494 124.575 121.223 -0.237 0.000 2.334 519 L HA 0.390 4.730 4.340 -0.000 0.000 0.277 519 L C 0.074 176.862 176.870 -0.137 0.000 1.075 519 L CA -0.766 53.989 54.840 -0.141 0.000 0.804 519 L CB 1.507 43.498 42.059 -0.113 0.000 1.174 519 L HN 0.338 nan 8.230 nan 0.000 0.438 520 V N 0.000 119.860 119.914 -0.090 0.000 2.409 520 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 520 V CA 0.000 62.254 62.300 -0.076 0.000 1.235 520 V CB 0.000 31.788 31.823 -0.058 0.000 1.184 520 V HN 0.000 nan 8.190 nan 0.000 0.556