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 2gk1_1_C DATA FIRST_RESID 23 DATA SEQUENCE LWPWPQNFQT SDQRYVLYPN NFQFQYDVSS AAQPGcSVLD EAFQRYRDLL DATA SEQUENCE FGXXXXXXXX XXXXXXTLEK NVLVVSVVTP GcNQLPTLES VENYTLTIND DATA SEQUENCE DQCLLLSETV WGALRGLETF SQLVWKSAEG TFFINKTEIE DFPRFPHRGL DATA SEQUENCE LLDTSRHYLP LSSILDTLDV MAYNKLNVFH WHLVDDPSFP YESFTFPELM DATA SEQUENCE RKGSYNPVTH IYTAQDVKEV IEYARLRGIR VLAEFDTPGH TLSWGPGIPG DATA SEQUENCE LLTPcYSGSE PSGTFGPVNP SLNNTYEFMS TFFLEVSSVF PDFYLHLGGD DATA SEQUENCE EVDFTcWKSN PEIQDFMRKK GFGEDFKQLE SFYIQTLLDI VSSYGKGYVV DATA SEQUENCE WQEVFDNKVK IQPDTIIQVW REDIPVNYMK ELELVTKAGF RALLSAPWYL DATA SEQUENCE NRISYGPDWK DFYVVEPLAF EGTPEQKALV IGGEACMWGE YVDNTNLVPR DATA SEQUENCE LWPRAGAVAE RLWSNKLTSD LTFAYERLSH FRcELLRRGV QAQPLNVGFc DATA SEQUENCE EQEFEQ 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 23 L HA 0.000 nan 4.340 nan 0.000 0.249 23 L C 0.000 177.051 176.870 0.301 0.000 1.165 23 L CA 0.000 55.012 54.840 0.287 0.000 0.813 23 L CB 0.000 42.134 42.059 0.125 0.000 0.961 24 W N 5.565 126.754 121.300 -0.185 0.000 3.132 24 W HA 0.409 5.071 4.660 0.004 0.000 0.337 24 W C -2.830 173.400 176.519 -0.480 0.000 1.082 24 W CA -1.083 56.001 57.345 -0.434 0.000 1.242 24 W CB 2.702 31.571 29.460 -0.985 0.000 1.354 24 W HN 0.144 nan 8.180 nan 0.000 0.461 25 P HA 0.033 nan 4.420 nan 0.000 0.276 25 P C -0.291 176.797 177.300 -0.354 0.000 1.261 25 P CA -0.044 62.568 63.100 -0.813 0.000 0.800 25 P CB 1.190 32.549 31.700 -0.568 0.000 1.066 26 W N 2.392 123.446 121.300 -0.410 0.000 2.345 26 W HA 0.195 4.856 4.660 0.002 0.000 0.308 26 W C -2.436 174.114 176.519 0.051 0.000 1.273 26 W CA -1.941 55.322 57.345 -0.137 0.000 1.243 26 W CB 0.245 29.626 29.460 -0.132 0.000 1.260 26 W HN 0.317 nan 8.180 nan 0.000 0.509 27 P HA -0.163 nan 4.420 nan 0.000 0.270 27 P C 0.807 177.954 177.300 -0.254 0.000 1.221 27 P CA 0.546 63.466 63.100 -0.300 0.000 0.788 27 P CB 0.702 32.119 31.700 -0.473 0.000 0.904 28 Q N 0.534 120.164 119.800 -0.283 0.000 2.046 28 Q HA -0.026 4.316 4.340 0.003 0.000 0.200 28 Q C -0.060 175.837 176.000 -0.171 0.000 0.975 28 Q CA 1.756 57.341 55.803 -0.364 0.000 0.836 28 Q CB -0.227 27.955 28.738 -0.926 0.000 0.896 28 Q HN 0.515 nan 8.270 nan 0.000 0.428 29 N N -0.395 118.214 118.700 -0.151 0.000 2.549 29 N HA 0.227 4.968 4.740 0.003 0.000 0.281 29 N C -1.632 173.905 175.510 0.044 0.000 1.084 29 N CA -0.135 52.904 53.050 -0.019 0.000 0.862 29 N CB 1.100 39.585 38.487 -0.003 0.000 1.333 29 N HN 0.070 nan 8.380 nan 0.000 0.523 30 F N 1.819 121.694 119.950 -0.125 0.000 2.532 30 F HA 0.269 4.798 4.527 0.003 0.000 0.365 30 F C -0.136 175.670 175.800 0.010 0.000 1.112 30 F CA -0.847 57.068 58.000 -0.142 0.000 1.082 30 F CB 1.166 39.904 39.000 -0.438 0.000 1.319 30 F HN 0.242 nan 8.300 nan 0.000 0.457 31 Q N 5.305 125.227 119.800 0.204 0.000 2.344 31 Q HA 0.226 4.568 4.340 0.003 0.000 0.253 31 Q C -0.323 175.631 176.000 -0.077 0.000 1.050 31 Q CA -0.376 55.437 55.803 0.017 0.000 0.912 31 Q CB 0.999 29.784 28.738 0.078 0.000 1.258 31 Q HN 0.667 nan 8.270 nan 0.000 0.443 32 T N 0.799 115.157 114.554 -0.328 0.000 2.849 32 T HA 0.571 4.922 4.350 0.003 0.000 0.284 32 T C -0.045 174.614 174.700 -0.068 0.000 1.004 32 T CA -0.777 61.141 62.100 -0.304 0.000 1.021 32 T CB 1.648 70.272 68.868 -0.407 0.000 1.013 32 T HN 0.491 nan 8.240 nan 0.000 0.527 33 S N -1.134 114.567 115.700 0.001 0.000 2.672 33 S HA 0.431 4.903 4.470 0.003 0.000 0.271 33 S C -1.059 173.553 174.600 0.021 0.000 1.171 33 S CA -0.696 57.519 58.200 0.025 0.000 0.817 33 S CB 1.691 64.936 63.200 0.075 0.000 1.150 33 S HN 0.632 nan 8.310 nan 0.000 0.478 34 D N 0.255 120.656 120.400 0.000 0.000 2.479 34 D HA 0.172 4.813 4.640 0.003 0.000 0.216 34 D C -0.143 176.134 176.300 -0.039 0.000 1.110 34 D CA 0.057 54.044 54.000 -0.022 0.000 0.841 34 D CB 0.309 41.078 40.800 -0.052 0.000 1.040 34 D HN 0.395 nan 8.370 nan 0.000 0.505 35 Q N 2.255 122.028 119.800 -0.046 0.000 2.239 35 Q HA -0.023 4.319 4.340 0.003 0.000 0.286 35 Q C 0.217 176.072 176.000 -0.242 0.000 1.102 35 Q CA 0.572 56.291 55.803 -0.140 0.000 0.936 35 Q CB 0.309 28.991 28.738 -0.093 0.000 1.127 35 Q HN 0.344 nan 8.270 nan 0.000 0.380 36 R N 2.602 122.884 120.500 -0.364 0.000 2.832 36 R HA 0.638 4.980 4.340 0.003 0.000 0.271 36 R C -1.084 174.952 176.300 -0.440 0.000 0.996 36 R CA -0.724 55.209 56.100 -0.278 0.000 0.977 36 R CB 1.147 31.306 30.300 -0.236 0.000 1.168 36 R HN 0.305 nan 8.270 nan 0.000 0.482 37 Y N -0.252 120.189 120.300 0.234 0.000 2.545 37 Y HA 0.428 4.980 4.550 0.002 0.000 0.348 37 Y C -0.330 175.730 175.900 0.266 0.000 1.002 37 Y CA -1.201 57.036 58.100 0.230 0.000 1.039 37 Y CB 2.443 40.995 38.460 0.154 0.000 1.271 37 Y HN 0.235 nan 8.280 nan 0.000 0.467 38 V N 4.143 124.193 119.914 0.226 0.000 2.509 38 V HA 0.404 4.526 4.120 0.003 0.000 0.284 38 V C -0.035 175.873 176.094 -0.310 0.000 1.047 38 V CA -0.640 61.542 62.300 -0.197 0.000 0.952 38 V CB 1.027 32.677 31.823 -0.288 0.000 0.988 38 V HN 0.568 nan 8.190 nan 0.000 0.469 39 L N 3.721 124.666 121.223 -0.463 0.000 2.298 39 L HA 0.614 4.955 4.340 0.003 0.000 0.268 39 L C -1.332 175.071 176.870 -0.777 0.000 1.010 39 L CA -0.841 53.767 54.840 -0.387 0.000 0.812 39 L CB 1.509 43.456 42.059 -0.186 0.000 1.331 39 L HN 0.511 nan 8.230 nan 0.000 0.450 40 Y N -0.196 120.008 120.300 -0.160 0.000 2.535 40 Y HA 0.263 4.814 4.550 0.003 0.000 0.341 40 Y C -1.926 173.663 175.900 -0.519 0.000 1.041 40 Y CA -1.752 56.187 58.100 -0.268 0.000 1.307 40 Y CB 0.803 39.172 38.460 -0.152 0.000 1.095 40 Y HN 0.318 nan 8.280 nan 0.000 0.534 41 P HA -0.290 nan 4.420 nan 0.000 0.222 41 P C 0.802 177.661 177.300 -0.735 0.000 1.159 41 P CA 2.058 64.348 63.100 -1.351 0.000 0.920 41 P CB 0.488 31.714 31.700 -0.789 0.000 0.793 42 N N -1.837 116.667 118.700 -0.327 0.000 2.173 42 N HA -0.088 4.654 4.740 0.003 0.000 0.184 42 N C 1.189 176.627 175.510 -0.121 0.000 1.025 42 N CA 0.976 53.928 53.050 -0.164 0.000 0.852 42 N CB -1.353 37.075 38.487 -0.099 0.000 0.998 42 N HN 0.134 nan 8.380 nan 0.000 0.427 43 N N -0.401 118.238 118.700 -0.102 0.000 2.416 43 N HA 0.063 4.804 4.740 0.003 0.000 0.215 43 N C -1.161 174.316 175.510 -0.056 0.000 1.208 43 N CA -0.161 52.838 53.050 -0.086 0.000 0.834 43 N CB -0.254 38.153 38.487 -0.133 0.000 1.072 43 N HN 0.050 nan 8.380 nan 0.000 0.472 44 F N 1.098 120.893 119.950 -0.259 0.000 2.443 44 F HA 0.402 4.930 4.527 0.002 0.000 0.335 44 F C -0.588 175.065 175.800 -0.244 0.000 1.104 44 F CA -0.607 57.218 58.000 -0.292 0.000 1.013 44 F CB 1.096 39.817 39.000 -0.465 0.000 1.136 44 F HN 0.137 nan 8.300 nan 0.000 0.470 45 Q N 4.044 123.408 119.800 -0.727 0.000 2.377 45 Q HA 0.465 4.806 4.340 0.003 0.000 0.279 45 Q C -1.996 173.522 176.000 -0.804 0.000 1.049 45 Q CA -0.939 54.583 55.803 -0.468 0.000 0.825 45 Q CB 2.259 30.851 28.738 -0.244 0.000 1.401 45 Q HN 0.495 nan 8.270 nan 0.000 0.404 46 F N 1.411 121.057 119.950 -0.508 0.000 2.394 46 F HA 0.391 4.919 4.527 0.002 0.000 0.340 46 F C 0.194 175.550 175.800 -0.740 0.000 1.105 46 F CA -0.201 57.291 58.000 -0.847 0.000 1.124 46 F CB 1.535 39.562 39.000 -1.622 0.000 1.145 46 F HN 0.542 nan 8.300 nan 0.000 0.505 47 Q N 1.400 120.922 119.800 -0.463 0.000 2.379 47 Q HA 0.499 4.840 4.340 0.003 0.000 0.278 47 Q C -2.024 173.867 176.000 -0.182 0.000 1.068 47 Q CA -1.131 54.525 55.803 -0.245 0.000 0.816 47 Q CB 1.741 30.390 28.738 -0.150 0.000 1.387 47 Q HN 0.553 nan 8.270 nan 0.000 0.413 48 Y N 0.866 121.192 120.300 0.043 0.000 2.359 48 Y HA 0.141 4.692 4.550 0.003 0.000 0.330 48 Y C 0.449 176.354 175.900 0.009 0.000 1.143 48 Y CA 0.023 58.160 58.100 0.061 0.000 1.318 48 Y CB 0.869 39.376 38.460 0.078 0.000 1.234 48 Y HN 0.629 nan 8.280 nan 0.000 0.522 49 D N 2.220 122.711 120.400 0.152 0.000 2.308 49 D HA 0.042 4.683 4.640 0.003 0.000 0.251 49 D C 1.107 177.456 176.300 0.082 0.000 1.127 49 D CA -0.020 54.028 54.000 0.079 0.000 0.876 49 D CB 1.726 42.553 40.800 0.045 0.000 1.176 49 D HN 0.529 nan 8.370 nan 0.000 0.446 50 V N 2.171 122.114 119.914 0.048 0.000 2.828 50 V HA -0.202 3.919 4.120 0.003 0.000 0.260 50 V C 1.582 177.688 176.094 0.020 0.000 1.101 50 V CA 2.041 64.358 62.300 0.029 0.000 1.123 50 V CB -1.000 30.831 31.823 0.013 0.000 0.704 50 V HN 0.528 nan 8.190 nan 0.000 0.493 51 S N -0.709 115.006 115.700 0.024 0.000 2.593 51 S HA 0.183 4.655 4.470 0.003 0.000 0.217 51 S C 1.039 175.652 174.600 0.023 0.000 0.966 51 S CA 0.437 58.648 58.200 0.018 0.000 0.914 51 S CB -0.265 62.944 63.200 0.015 0.000 0.776 51 S HN 0.659 nan 8.310 nan 0.000 0.523 52 S N 0.497 116.221 115.700 0.040 0.000 2.601 52 S HA 0.666 5.137 4.470 0.003 0.000 0.271 52 S C 1.239 175.850 174.600 0.017 0.000 1.305 52 S CA -0.110 58.121 58.200 0.051 0.000 1.022 52 S CB 1.070 64.343 63.200 0.121 0.000 0.940 52 S HN 0.468 nan 8.310 nan 0.000 0.525 53 A N 3.102 125.926 122.820 0.008 0.000 1.970 53 A HA 0.498 4.819 4.320 0.003 0.000 0.216 53 A C 1.052 178.608 177.584 -0.048 0.000 1.170 53 A CA 0.873 52.896 52.037 -0.023 0.000 0.645 53 A CB -0.678 18.306 19.000 -0.026 0.000 0.816 53 A HN 1.071 nan 8.150 nan 0.000 0.447 54 A N -0.853 121.952 122.820 -0.025 0.000 2.306 54 A HA 0.696 5.018 4.320 0.003 0.000 0.314 54 A C -0.332 177.152 177.584 -0.168 0.000 1.164 54 A CA -0.339 51.660 52.037 -0.064 0.000 0.822 54 A CB 0.956 19.962 19.000 0.010 0.000 1.130 54 A HN 0.359 nan 8.150 nan 0.000 0.496 55 Q N 0.386 119.889 119.800 -0.495 0.000 2.575 55 Q HA 0.484 4.826 4.340 0.003 0.000 0.290 55 Q C -2.930 172.523 176.000 -0.912 0.000 0.963 55 Q CA -1.481 53.780 55.803 -0.903 0.000 0.783 55 Q CB 2.141 30.648 28.738 -0.386 0.000 1.467 55 Q HN 0.453 nan 8.270 nan 0.000 0.402 56 P HA 0.081 nan 4.420 nan 0.000 0.263 56 P C 0.213 177.373 177.300 -0.233 0.000 1.168 56 P CA 1.994 64.868 63.100 -0.377 0.000 0.759 56 P CB 0.340 31.945 31.700 -0.158 0.000 0.782 57 G N 1.572 110.284 108.800 -0.147 0.000 2.179 57 G HA2 -0.221 3.741 3.960 0.003 0.000 0.220 57 G HA3 -0.221 3.741 3.960 0.003 0.000 0.220 57 G C 0.198 175.026 174.900 -0.120 0.000 0.990 57 G CA -0.149 44.884 45.100 -0.112 0.000 0.646 57 G HN 0.798 nan 8.290 nan 0.000 0.517 58 c N 3.092 121.600 118.600 -0.153 0.000 2.289 58 c HA 0.684 5.256 4.570 0.003 0.000 0.340 58 c C 2.386 176.410 174.090 -0.110 0.000 1.152 58 c CA 0.649 56.897 56.329 -0.135 0.000 1.650 58 c CB -0.644 41.781 42.510 -0.142 0.000 2.203 58 c HN 1.026 nan 8.230 nan 0.000 0.511 59 S N 4.470 120.114 115.700 -0.094 0.000 2.370 59 S HA -0.141 4.330 4.470 0.003 0.000 0.226 59 S C 1.612 176.151 174.600 -0.102 0.000 1.033 59 S CA 2.012 60.165 58.200 -0.077 0.000 1.011 59 S CB -0.619 62.553 63.200 -0.046 0.000 0.852 59 S HN 0.716 nan 8.310 nan 0.000 0.457 60 V N 2.248 122.092 119.914 -0.115 0.000 2.231 60 V HA -0.180 3.942 4.120 0.003 0.000 0.248 60 V C 2.680 178.646 176.094 -0.213 0.000 1.054 60 V CA 2.245 64.472 62.300 -0.122 0.000 1.015 60 V CB -0.923 30.805 31.823 -0.158 0.000 0.638 60 V HN 0.446 nan 8.190 nan 0.000 0.444 61 L N -0.390 120.643 121.223 -0.316 0.000 2.044 61 L HA -0.136 4.205 4.340 0.003 0.000 0.205 61 L C 2.450 178.804 176.870 -0.860 0.000 1.075 61 L CA 1.548 55.998 54.840 -0.651 0.000 0.747 61 L CB -0.736 40.898 42.059 -0.708 0.000 0.903 61 L HN 0.331 nan 8.230 nan 0.000 0.435 62 D N -0.237 119.887 120.400 -0.460 0.000 2.190 62 D HA -0.187 4.454 4.640 0.003 0.000 0.200 62 D C 2.105 178.324 176.300 -0.135 0.000 0.992 62 D CA 1.051 54.920 54.000 -0.218 0.000 0.854 62 D CB 0.001 40.788 40.800 -0.021 0.000 0.936 62 D HN 0.329 nan 8.370 nan 0.000 0.462 63 E N 0.731 120.840 120.200 -0.153 0.000 2.051 63 E HA -0.025 4.327 4.350 0.003 0.000 0.189 63 E C 2.224 178.775 176.600 -0.083 0.000 0.979 63 E CA 0.733 57.078 56.400 -0.093 0.000 0.803 63 E CB -0.539 29.101 29.700 -0.099 0.000 0.761 63 E HN 0.192 nan 8.360 nan 0.000 0.451 64 A N 1.334 124.069 122.820 -0.141 0.000 1.917 64 A HA -0.201 4.120 4.320 0.003 0.000 0.219 64 A C 2.057 179.660 177.584 0.032 0.000 1.182 64 A CA 1.395 53.417 52.037 -0.025 0.000 0.633 64 A CB -0.774 18.143 19.000 -0.138 0.000 0.819 64 A HN 0.120 nan 8.150 nan 0.000 0.448 65 F N -0.418 119.370 119.950 -0.269 0.000 2.075 65 F HA -0.147 4.381 4.527 0.002 0.000 0.297 65 F C 2.616 178.289 175.800 -0.212 0.000 1.113 65 F CA 1.649 59.337 58.000 -0.519 0.000 1.218 65 F CB -1.276 37.521 39.000 -0.339 0.000 0.984 65 F HN 0.296 nan 8.300 nan 0.000 0.472 66 Q N 0.716 120.605 119.800 0.147 0.000 2.079 66 Q HA -0.155 4.187 4.340 0.003 0.000 0.200 66 Q C 2.360 178.413 176.000 0.090 0.000 0.974 66 Q CA 1.591 57.473 55.803 0.131 0.000 0.840 66 Q CB -0.424 28.372 28.738 0.096 0.000 0.898 66 Q HN 0.328 nan 8.270 nan 0.000 0.430 67 R N -1.325 119.201 120.500 0.043 0.000 2.094 67 R HA -0.216 4.125 4.340 0.003 0.000 0.239 67 R C 2.031 178.303 176.300 -0.047 0.000 1.137 67 R CA 1.980 58.064 56.100 -0.026 0.000 0.943 67 R CB -0.529 29.727 30.300 -0.072 0.000 0.850 67 R HN 0.364 nan 8.270 nan 0.000 0.433 68 Y N 0.516 120.796 120.300 -0.034 0.000 2.200 68 Y HA -0.194 4.358 4.550 0.003 0.000 0.290 68 Y C 2.566 178.501 175.900 0.059 0.000 1.137 68 Y CA 2.028 60.123 58.100 -0.008 0.000 1.163 68 Y CB -0.167 38.260 38.460 -0.055 0.000 0.988 68 Y HN 0.222 nan 8.280 nan 0.000 0.518 69 R N 0.286 120.978 120.500 0.321 0.000 2.105 69 R HA -0.207 4.134 4.340 0.003 0.000 0.239 69 R C 1.666 178.084 176.300 0.197 0.000 1.135 69 R CA 2.001 58.348 56.100 0.412 0.000 0.967 69 R CB -0.834 29.797 30.300 0.551 0.000 0.861 69 R HN 0.293 nan 8.270 nan 0.000 0.442 70 D N 0.440 120.905 120.400 0.107 0.000 2.117 70 D HA -0.155 4.486 4.640 0.003 0.000 0.197 70 D C 1.778 178.044 176.300 -0.057 0.000 0.987 70 D CA 0.968 54.988 54.000 0.033 0.000 0.829 70 D CB 0.046 40.852 40.800 0.010 0.000 0.961 70 D HN 0.203 nan 8.370 nan 0.000 0.460 71 L N 0.031 121.186 121.223 -0.113 0.000 2.046 71 L HA -0.110 4.232 4.340 0.003 0.000 0.208 71 L C 2.171 178.889 176.870 -0.252 0.000 1.077 71 L CA 1.129 55.855 54.840 -0.189 0.000 0.747 71 L CB -0.651 41.257 42.059 -0.253 0.000 0.896 71 L HN 0.248 nan 8.230 nan 0.000 0.432 72 L N -1.964 119.015 121.223 -0.407 0.000 2.068 72 L HA -0.039 4.302 4.340 0.003 0.000 0.204 72 L C 1.427 177.828 176.870 -0.782 0.000 1.076 72 L CA 1.603 55.957 54.840 -0.810 0.000 0.753 72 L CB -1.018 40.090 42.059 -1.586 0.000 0.910 72 L HN 0.212 nan 8.230 nan 0.000 0.439 73 F N -1.017 118.879 119.950 -0.089 0.000 2.805 73 F HA 0.497 5.025 4.527 0.002 0.000 0.317 73 F C 1.232 176.995 175.800 -0.060 0.000 1.146 73 F CA -0.828 57.087 58.000 -0.141 0.000 1.265 73 F CB -0.866 37.974 39.000 -0.266 0.000 0.992 73 F HN -0.095 nan 8.300 nan 0.000 0.511 90 L N -0.895 120.482 121.223 0.257 0.000 2.424 90 L HA 0.981 5.323 4.340 0.003 0.000 0.258 90 L C -1.321 175.644 176.870 0.158 0.000 0.995 90 L CA -0.938 54.030 54.840 0.214 0.000 0.821 90 L CB 1.338 43.549 42.059 0.252 0.000 1.383 90 L HN 0.489 nan 8.230 nan 0.000 0.410 91 E N 0.783 121.064 120.200 0.134 0.000 2.222 91 E HA 0.484 4.836 4.350 0.003 0.000 0.267 91 E C -0.593 176.074 176.600 0.112 0.000 0.884 91 E CA -0.476 55.977 56.400 0.087 0.000 0.764 91 E CB 2.799 32.561 29.700 0.103 0.000 1.169 91 E HN 0.652 nan 8.360 nan 0.000 0.413 92 K N 0.663 121.028 120.400 -0.058 0.000 2.403 92 K HA 0.195 4.517 4.320 0.003 0.000 0.199 92 K C -0.052 176.097 176.600 -0.751 0.000 1.199 92 K CA 0.415 56.570 56.287 -0.219 0.000 0.924 92 K CB 0.534 32.939 32.500 -0.157 0.000 1.137 92 K HN 0.310 nan 8.250 nan 0.000 0.510 93 N N 0.051 118.374 118.700 -0.628 0.000 2.240 93 N HA 0.225 4.966 4.740 0.003 0.000 0.302 93 N C -1.630 173.520 175.510 -0.600 0.000 1.106 93 N CA -0.627 51.960 53.050 -0.772 0.000 0.778 93 N CB 2.588 40.798 38.487 -0.462 0.000 1.431 93 N HN -0.170 nan 8.380 nan 0.000 0.479 94 V N 2.414 121.917 119.914 -0.686 0.000 2.347 94 V HA 0.398 4.520 4.120 0.003 0.000 0.280 94 V C -0.469 175.406 176.094 -0.364 0.000 1.021 94 V CA -0.756 61.273 62.300 -0.451 0.000 0.847 94 V CB 0.273 31.744 31.823 -0.587 0.000 0.990 94 V HN 0.500 nan 8.190 nan 0.000 0.444 95 L N 7.361 128.443 121.223 -0.236 0.000 2.433 95 L HA 0.344 4.686 4.340 0.003 0.000 0.275 95 L C -0.248 176.548 176.870 -0.123 0.000 1.128 95 L CA -0.085 54.656 54.840 -0.164 0.000 0.875 95 L CB 1.021 43.020 42.059 -0.100 0.000 1.171 95 L HN 0.415 nan 8.230 nan 0.000 0.463 96 V N 4.924 124.766 119.914 -0.121 0.000 2.398 96 V HA 0.464 4.586 4.120 0.003 0.000 0.286 96 V C -0.071 176.042 176.094 0.032 0.000 1.026 96 V CA -0.576 61.697 62.300 -0.045 0.000 0.868 96 V CB 2.110 33.931 31.823 -0.002 0.000 0.982 96 V HN 0.490 nan 8.190 nan 0.000 0.443 97 V N 4.341 124.287 119.914 0.052 0.000 2.612 97 V HA 0.607 4.729 4.120 0.003 0.000 0.301 97 V C -0.440 175.693 176.094 0.065 0.000 1.059 97 V CA 0.118 62.464 62.300 0.077 0.000 0.886 97 V CB 2.371 34.226 31.823 0.054 0.000 1.007 97 V HN 0.874 nan 8.190 nan 0.000 0.426 98 S N 3.554 119.293 115.700 0.066 0.000 2.475 98 S HA 0.547 5.018 4.470 0.003 0.000 0.298 98 S C 0.731 175.344 174.600 0.022 0.000 1.119 98 S CA -0.034 58.185 58.200 0.032 0.000 1.085 98 S CB 1.789 64.989 63.200 -0.000 0.000 1.028 98 S HN 1.172 nan 8.310 nan 0.000 0.489 99 V N 3.170 123.094 119.914 0.017 0.000 2.492 99 V HA 0.288 4.409 4.120 0.003 0.000 0.241 99 V C 0.630 176.723 176.094 -0.001 0.000 1.041 99 V CA 0.450 62.757 62.300 0.011 0.000 1.057 99 V CB -0.662 31.171 31.823 0.017 0.000 0.711 99 V HN 0.524 nan 8.190 nan 0.000 0.468 100 V N 2.586 122.497 119.914 -0.005 0.000 2.572 100 V HA 0.145 4.266 4.120 0.003 0.000 0.291 100 V C 1.792 177.865 176.094 -0.036 0.000 1.039 100 V CA 0.990 63.282 62.300 -0.014 0.000 1.055 100 V CB 0.471 32.291 31.823 -0.005 0.000 0.969 100 V HN 0.596 nan 8.190 nan 0.000 0.482 101 T N 4.870 119.404 114.554 -0.033 0.000 2.770 101 T HA -0.005 4.346 4.350 0.003 0.000 0.263 101 T C -1.359 173.301 174.700 -0.067 0.000 1.039 101 T CA 0.367 62.439 62.100 -0.047 0.000 1.142 101 T CB -1.099 67.748 68.868 -0.035 0.000 0.868 101 T HN 0.596 nan 8.240 nan 0.000 0.435 102 P HA -0.096 nan 4.420 nan 0.000 0.200 102 P C 1.112 178.348 177.300 -0.106 0.000 0.924 102 P CA 0.524 63.593 63.100 -0.052 0.000 1.021 102 P CB -0.726 30.959 31.700 -0.026 0.000 1.047 103 G N 2.419 111.168 108.800 -0.085 0.000 3.674 103 G HA2 -0.269 3.693 3.960 0.003 0.000 0.537 103 G HA3 -0.269 3.693 3.960 0.003 0.000 0.537 103 G C 0.549 175.346 174.900 -0.172 0.000 0.871 103 G CA 1.128 46.163 45.100 -0.108 0.000 0.835 103 G HN 0.544 nan 8.290 nan 0.000 1.312 104 c N -1.134 117.384 118.600 -0.137 0.000 3.797 104 c HA 0.367 4.938 4.570 0.003 0.000 0.321 104 c C 1.175 175.235 174.090 -0.050 0.000 2.729 104 c CA -0.507 55.718 56.329 -0.173 0.000 1.592 104 c CB -1.284 41.118 42.510 -0.181 0.000 3.301 104 c HN 0.651 nan 8.230 nan 0.000 0.365 105 N N 0.313 119.013 118.700 0.001 0.000 2.419 105 N HA 0.029 4.771 4.740 0.003 0.000 0.216 105 N C 0.045 175.615 175.510 0.099 0.000 1.118 105 N CA -0.126 52.950 53.050 0.044 0.000 0.850 105 N CB 0.176 38.673 38.487 0.017 0.000 1.292 105 N HN 0.447 nan 8.380 nan 0.000 0.467 106 Q N 2.404 122.277 119.800 0.121 0.000 2.327 106 Q HA 0.302 4.643 4.340 0.003 0.000 0.254 106 Q C -0.070 176.118 176.000 0.313 0.000 0.952 106 Q CA -0.288 55.619 55.803 0.173 0.000 0.884 106 Q CB 0.487 29.312 28.738 0.146 0.000 1.224 106 Q HN 0.134 nan 8.270 nan 0.000 0.422 107 L N 0.258 121.624 121.223 0.238 0.000 2.418 107 L HA 0.610 4.952 4.340 0.003 0.000 0.265 107 L C -2.078 174.857 176.870 0.108 0.000 1.143 107 L CA -2.178 52.775 54.840 0.188 0.000 0.809 107 L CB -0.542 41.571 42.059 0.090 0.000 1.124 107 L HN 0.556 nan 8.230 nan 0.000 0.456 108 P HA 0.184 nan 4.420 nan 0.000 0.272 108 P C -0.263 176.957 177.300 -0.133 0.000 1.223 108 P CA 0.022 62.868 63.100 -0.423 0.000 0.784 108 P CB 0.953 31.966 31.700 -1.143 0.000 0.923 109 T N -1.385 113.147 114.554 -0.036 0.000 2.807 109 T HA 0.253 4.605 4.350 0.003 0.000 0.277 109 T C 1.025 175.753 174.700 0.046 0.000 1.006 109 T CA -0.767 61.363 62.100 0.050 0.000 1.006 109 T CB 0.431 69.347 68.868 0.081 0.000 1.274 109 T HN 0.129 nan 8.240 nan 0.000 0.569 110 L N 0.679 121.973 121.223 0.118 0.000 2.042 110 L HA 0.082 4.423 4.340 0.003 0.000 0.210 110 L C 1.863 178.779 176.870 0.078 0.000 1.076 110 L CA 1.989 56.890 54.840 0.101 0.000 0.749 110 L CB -1.024 41.131 42.059 0.160 0.000 0.893 110 L HN 0.784 nan 8.230 nan 0.000 0.432 111 E N -0.738 119.506 120.200 0.073 0.000 2.437 111 E HA 0.144 4.496 4.350 0.003 0.000 0.189 111 E C 0.447 177.092 176.600 0.075 0.000 1.054 111 E CA -0.030 56.405 56.400 0.059 0.000 0.874 111 E CB -0.066 29.655 29.700 0.035 0.000 1.011 111 E HN 0.262 nan 8.360 nan 0.000 0.474 112 S N 0.559 116.316 115.700 0.095 0.000 2.533 112 S HA 0.142 4.614 4.470 0.003 0.000 0.282 112 S C 0.163 174.862 174.600 0.166 0.000 1.304 112 S CA -0.465 57.834 58.200 0.165 0.000 1.063 112 S CB 0.922 64.222 63.200 0.168 0.000 0.881 112 S HN -0.007 nan 8.310 nan 0.000 0.493 113 V N 3.742 123.765 119.914 0.183 0.000 2.465 113 V HA 0.178 4.300 4.120 0.003 0.000 0.279 113 V C 0.828 177.057 176.094 0.223 0.000 1.045 113 V CA -0.058 62.330 62.300 0.147 0.000 0.938 113 V CB 1.351 33.227 31.823 0.087 0.000 0.986 113 V HN 0.947 nan 8.190 nan 0.000 0.467 114 E N 2.417 122.754 120.200 0.227 0.000 2.501 114 E HA 0.153 4.505 4.350 0.003 0.000 0.201 114 E C -0.095 176.740 176.600 0.393 0.000 1.016 114 E CA -0.305 56.301 56.400 0.343 0.000 0.920 114 E CB 0.197 30.149 29.700 0.419 0.000 1.023 114 E HN 0.693 nan 8.360 nan 0.000 0.474 115 N N 1.920 120.771 118.700 0.253 0.000 2.294 115 N HA -0.064 4.678 4.740 0.003 0.000 0.263 115 N C -0.864 174.828 175.510 0.304 0.000 1.281 115 N CA 0.803 53.984 53.050 0.220 0.000 0.846 115 N CB -0.009 38.533 38.487 0.092 0.000 1.061 115 N HN 0.181 nan 8.380 nan 0.000 0.478 116 Y N -1.932 118.471 120.300 0.172 0.000 2.597 116 Y HA 0.722 5.274 4.550 0.004 0.000 0.340 116 Y C -0.813 175.154 175.900 0.113 0.000 1.097 116 Y CA -1.324 56.853 58.100 0.129 0.000 1.037 116 Y CB 1.001 39.540 38.460 0.132 0.000 1.305 116 Y HN 0.394 nan 8.280 nan 0.000 0.463 117 T N 1.486 116.139 114.554 0.165 0.000 2.921 117 T HA 0.615 4.966 4.350 0.003 0.000 0.297 117 T C -1.951 172.856 174.700 0.179 0.000 1.013 117 T CA -0.611 61.530 62.100 0.069 0.000 0.990 117 T CB 1.660 70.553 68.868 0.042 0.000 1.023 117 T HN 0.855 nan 8.240 nan 0.000 0.447 118 L N 2.958 124.278 121.223 0.161 0.000 2.313 118 L HA 0.741 5.083 4.340 0.003 0.000 0.283 118 L C -0.481 176.462 176.870 0.122 0.000 1.013 118 L CA -0.047 54.891 54.840 0.164 0.000 0.816 118 L CB 1.730 43.912 42.059 0.205 0.000 1.236 118 L HN 0.992 nan 8.230 nan 0.000 0.419 119 T N 6.624 121.243 114.554 0.108 0.000 3.009 119 T HA 0.528 4.880 4.350 0.003 0.000 0.346 119 T C -0.263 174.485 174.700 0.081 0.000 1.092 119 T CA -0.060 62.095 62.100 0.092 0.000 1.080 119 T CB 0.069 68.976 68.868 0.066 0.000 1.037 119 T HN 0.358 nan 8.240 nan 0.000 0.487 120 I N 5.125 125.760 120.570 0.108 0.000 2.355 120 I HA 0.468 4.640 4.170 0.003 0.000 0.288 120 I C 0.435 176.579 176.117 0.045 0.000 0.999 120 I CA -0.497 60.841 61.300 0.064 0.000 1.163 120 I CB 0.777 38.858 38.000 0.134 0.000 1.316 120 I HN 0.667 nan 8.210 nan 0.000 0.454 121 N N 3.509 122.163 118.700 -0.076 0.000 3.649 121 N HA 0.294 5.035 4.740 0.003 0.000 0.342 121 N C -0.483 174.935 175.510 -0.152 0.000 1.609 121 N CA -0.671 52.378 53.050 -0.002 0.000 0.692 121 N CB 0.893 39.432 38.487 0.088 0.000 2.712 121 N HN 0.208 nan 8.380 nan 0.000 0.598 122 D N -0.244 120.192 120.400 0.060 0.000 2.271 122 D HA 0.029 4.670 4.640 0.003 0.000 0.206 122 D C 0.309 176.621 176.300 0.021 0.000 0.967 122 D CA 1.103 55.160 54.000 0.095 0.000 0.867 122 D CB 0.030 40.932 40.800 0.170 0.000 0.960 122 D HN 0.380 nan 8.370 nan 0.000 0.509 123 D N 0.378 120.782 120.400 0.008 0.000 2.269 123 D HA -0.006 4.635 4.640 0.003 0.000 0.220 123 D C 1.074 177.356 176.300 -0.031 0.000 0.962 123 D CA 0.736 54.735 54.000 -0.003 0.000 0.884 123 D CB 0.269 41.075 40.800 0.010 0.000 1.023 123 D HN 0.267 nan 8.370 nan 0.000 0.484 124 Q N -0.496 119.279 119.800 -0.041 0.000 2.433 124 Q HA 0.570 4.912 4.340 0.003 0.000 0.279 124 Q C -1.269 174.688 176.000 -0.071 0.000 1.105 124 Q CA -0.978 54.795 55.803 -0.050 0.000 0.815 124 Q CB 2.320 31.044 28.738 -0.023 0.000 1.403 124 Q HN 0.138 nan 8.270 nan 0.000 0.435 125 C N 3.325 122.582 119.300 -0.072 0.000 2.801 125 C HA 0.634 5.095 4.460 0.003 0.000 0.296 125 C C -1.312 173.642 174.990 -0.060 0.000 1.054 125 C CA -0.319 58.665 59.018 -0.057 0.000 1.442 125 C CB -0.393 27.302 27.740 -0.076 0.000 1.860 125 C HN 0.821 nan 8.230 nan 0.000 0.459 126 L N 5.721 126.931 121.223 -0.021 0.000 2.410 126 L HA 0.605 4.946 4.340 0.003 0.000 0.270 126 L C -1.217 175.657 176.870 0.008 0.000 0.983 126 L CA -0.639 54.187 54.840 -0.024 0.000 0.822 126 L CB 1.865 43.922 42.059 -0.005 0.000 1.285 126 L HN 0.679 nan 8.230 nan 0.000 0.409 127 L N 5.523 126.738 121.223 -0.012 0.000 2.280 127 L HA 0.463 4.804 4.340 0.003 0.000 0.287 127 L C -1.202 175.701 176.870 0.055 0.000 1.023 127 L CA -0.656 54.205 54.840 0.035 0.000 0.819 127 L CB 1.640 43.692 42.059 -0.012 0.000 1.212 127 L HN 0.530 nan 8.230 nan 0.000 0.420 128 L N 5.626 126.907 121.223 0.096 0.000 2.318 128 L HA 0.492 4.834 4.340 0.003 0.000 0.277 128 L C -0.293 176.657 176.870 0.134 0.000 1.008 128 L CA 0.132 55.026 54.840 0.090 0.000 0.846 128 L CB 1.597 43.697 42.059 0.068 0.000 1.220 128 L HN 0.625 nan 8.230 nan 0.000 0.423 129 S N 1.688 117.461 115.700 0.122 0.000 2.568 129 S HA 0.545 5.017 4.470 0.003 0.000 0.302 129 S C 0.577 175.235 174.600 0.097 0.000 1.082 129 S CA -0.549 57.743 58.200 0.153 0.000 1.009 129 S CB 1.910 65.203 63.200 0.155 0.000 1.069 129 S HN 0.643 nan 8.310 nan 0.000 0.500 130 E N 1.649 121.912 120.200 0.105 0.000 2.008 130 E HA 0.084 4.435 4.350 0.003 0.000 0.191 130 E C 0.335 176.960 176.600 0.041 0.000 0.986 130 E CA 1.485 57.924 56.400 0.066 0.000 0.807 130 E CB -0.229 29.512 29.700 0.068 0.000 0.766 130 E HN 0.849 nan 8.360 nan 0.000 0.450 131 T N -0.525 114.060 114.554 0.052 0.000 2.950 131 T HA 0.203 4.555 4.350 0.003 0.000 0.288 131 T C 1.000 175.640 174.700 -0.100 0.000 1.035 131 T CA -0.227 61.858 62.100 -0.026 0.000 1.028 131 T CB 1.644 70.525 68.868 0.022 0.000 1.109 131 T HN -0.030 nan 8.240 nan 0.000 0.514 132 V N 0.251 119.973 119.914 -0.320 0.000 2.568 132 V HA -0.155 3.967 4.120 0.003 0.000 0.253 132 V C 1.356 177.248 176.094 -0.337 0.000 1.072 132 V CA 1.715 63.765 62.300 -0.417 0.000 1.084 132 V CB -0.743 30.701 31.823 -0.632 0.000 0.676 132 V HN 0.909 nan 8.190 nan 0.000 0.469 133 W N -0.007 121.312 121.300 0.032 0.000 2.436 133 W HA 0.110 4.771 4.660 0.002 0.000 0.284 133 W C 2.447 179.000 176.519 0.057 0.000 1.225 133 W CA 0.467 57.836 57.345 0.040 0.000 1.271 133 W CB -0.757 28.742 29.460 0.066 0.000 1.114 133 W HN 0.300 nan 8.180 nan 0.000 0.559 134 G N 0.614 109.567 108.800 0.255 0.000 2.422 134 G HA2 -0.126 3.836 3.960 0.003 0.000 0.218 134 G HA3 -0.126 3.836 3.960 0.003 0.000 0.218 134 G C 1.668 176.608 174.900 0.067 0.000 1.140 134 G CA 1.072 46.318 45.100 0.243 0.000 0.775 134 G HN 0.279 nan 8.290 nan 0.000 0.545 135 A N 0.853 123.681 122.820 0.014 0.000 1.877 135 A HA 0.076 4.398 4.320 0.003 0.000 0.216 135 A C 2.413 179.906 177.584 -0.151 0.000 1.186 135 A CA 1.199 53.198 52.037 -0.064 0.000 0.620 135 A CB -0.474 18.491 19.000 -0.057 0.000 0.822 135 A HN 0.335 nan 8.150 nan 0.000 0.443 136 L N -0.743 120.422 121.223 -0.097 0.000 2.013 136 L HA -0.255 4.087 4.340 0.003 0.000 0.212 136 L C 2.873 179.635 176.870 -0.179 0.000 1.073 136 L CA 1.532 56.308 54.840 -0.107 0.000 0.753 136 L CB -0.583 41.507 42.059 0.051 0.000 0.890 136 L HN 0.361 nan 8.230 nan 0.000 0.432 137 R N 0.024 120.413 120.500 -0.184 0.000 2.120 137 R HA -0.085 4.257 4.340 0.003 0.000 0.234 137 R C 2.242 178.135 176.300 -0.679 0.000 1.123 137 R CA 1.310 57.210 56.100 -0.333 0.000 0.975 137 R CB -1.086 29.108 30.300 -0.177 0.000 0.866 137 R HN 0.449 nan 8.270 nan 0.000 0.446 138 G N 1.714 110.004 108.800 -0.851 0.000 2.453 138 G HA2 -0.218 3.744 3.960 0.003 0.000 0.215 138 G HA3 -0.218 3.744 3.960 0.003 0.000 0.215 138 G C 1.628 176.332 174.900 -0.325 0.000 1.201 138 G CA 0.447 45.078 45.100 -0.781 0.000 0.784 138 G HN 0.155 nan 8.290 nan 0.000 0.545 139 L N 0.411 121.440 121.223 -0.322 0.000 2.034 139 L HA -0.200 4.141 4.340 0.003 0.000 0.217 139 L C 2.789 179.474 176.870 -0.309 0.000 1.077 139 L CA 1.857 56.461 54.840 -0.393 0.000 0.769 139 L CB -0.432 41.131 42.059 -0.825 0.000 0.890 139 L HN 0.284 nan 8.230 nan 0.000 0.435 140 E N -0.080 119.973 120.200 -0.245 0.000 2.023 140 E HA -0.207 4.145 4.350 0.003 0.000 0.196 140 E C 2.103 178.742 176.600 0.065 0.000 1.003 140 E CA 2.283 58.736 56.400 0.088 0.000 0.809 140 E CB -0.443 29.315 29.700 0.096 0.000 0.755 140 E HN 0.284 nan 8.360 nan 0.000 0.449 141 T N 0.215 114.738 114.554 -0.051 0.000 2.720 141 T HA -0.174 4.177 4.350 0.003 0.000 0.268 141 T C 1.505 176.226 174.700 0.035 0.000 1.037 141 T CA 1.452 63.531 62.100 -0.035 0.000 1.144 141 T CB -0.628 68.207 68.868 -0.056 0.000 0.864 141 T HN 0.297 nan 8.240 nan 0.000 0.444 142 F N 2.397 122.313 119.950 -0.056 0.000 2.095 142 F HA -0.195 4.334 4.527 0.002 0.000 0.298 142 F C 2.666 178.489 175.800 0.038 0.000 1.104 142 F CA 1.840 59.842 58.000 0.002 0.000 1.232 142 F CB -0.594 38.420 39.000 0.023 0.000 0.987 142 F HN 0.229 nan 8.300 nan 0.000 0.475 143 S N -0.354 115.445 115.700 0.165 0.000 2.399 143 S HA -0.255 4.216 4.470 0.003 0.000 0.231 143 S C 1.834 176.420 174.600 -0.023 0.000 1.022 143 S CA 1.375 59.624 58.200 0.082 0.000 0.983 143 S CB -0.821 62.557 63.200 0.295 0.000 0.803 143 S HN 0.682 nan 8.310 nan 0.000 0.480 144 Q N 0.265 120.083 119.800 0.030 0.000 2.230 144 Q HA 0.203 4.545 4.340 0.003 0.000 0.202 144 Q C 2.120 178.162 176.000 0.071 0.000 0.963 144 Q CA 0.841 56.687 55.803 0.072 0.000 0.866 144 Q CB -0.244 28.576 28.738 0.135 0.000 0.931 144 Q HN 0.552 nan 8.270 nan 0.000 0.452 145 L N 0.150 121.358 121.223 -0.026 0.000 2.179 145 L HA -0.007 4.334 4.340 0.003 0.000 0.208 145 L C 0.651 177.581 176.870 0.100 0.000 1.096 145 L CA 0.038 54.889 54.840 0.017 0.000 0.779 145 L CB 0.333 42.348 42.059 -0.073 0.000 0.922 145 L HN -0.040 nan 8.230 nan 0.000 0.443 146 V N 1.051 120.903 119.914 -0.103 0.000 2.673 146 V HA -0.060 4.061 4.120 0.003 0.000 0.303 146 V C -0.108 176.100 176.094 0.190 0.000 1.046 146 V CA 0.185 62.454 62.300 -0.051 0.000 1.126 146 V CB 0.066 31.751 31.823 -0.231 0.000 0.934 146 V HN 0.342 nan 8.190 nan 0.000 0.487 147 W N 3.314 124.648 121.300 0.056 0.000 3.018 147 W HA 0.737 5.399 4.660 0.002 0.000 0.352 147 W C -1.449 175.069 176.519 -0.000 0.000 1.230 147 W CA -1.363 56.009 57.345 0.045 0.000 1.162 147 W CB 1.829 31.337 29.460 0.080 0.000 1.483 147 W HN 0.514 nan 8.180 nan 0.000 0.584 148 K N 1.206 121.673 120.400 0.111 0.000 2.427 148 K HA 0.514 4.835 4.320 0.003 0.000 0.252 148 K C -0.055 176.651 176.600 0.176 0.000 0.931 148 K CA -0.531 55.626 56.287 -0.216 0.000 0.793 148 K CB 2.468 34.592 32.500 -0.626 0.000 1.211 148 K HN 0.471 nan 8.250 nan 0.000 0.426 149 S N 0.973 116.761 115.700 0.146 0.000 2.617 149 S HA 0.237 4.709 4.470 0.003 0.000 0.259 149 S C 1.355 176.044 174.600 0.147 0.000 1.301 149 S CA -0.146 58.258 58.200 0.342 0.000 0.984 149 S CB 1.003 64.440 63.200 0.395 0.000 0.954 149 S HN 0.749 nan 8.310 nan 0.000 0.572 150 A N -0.016 122.891 122.820 0.145 0.000 2.125 150 A HA -0.035 4.287 4.320 0.003 0.000 0.219 150 A C 1.834 179.446 177.584 0.046 0.000 1.156 150 A CA 1.547 53.631 52.037 0.079 0.000 0.671 150 A CB -0.966 18.079 19.000 0.076 0.000 0.794 150 A HN 0.862 nan 8.150 nan 0.000 0.459 151 E N -1.611 118.619 120.200 0.050 0.000 2.358 151 E HA 0.262 4.614 4.350 0.003 0.000 0.195 151 E C 1.352 177.934 176.600 -0.030 0.000 1.010 151 E CA 0.867 57.279 56.400 0.019 0.000 0.856 151 E CB -0.080 29.641 29.700 0.036 0.000 0.795 151 E HN 0.750 nan 8.360 nan 0.000 0.504 152 G N 0.214 108.970 108.800 -0.075 0.000 2.159 152 G HA2 -0.240 3.722 3.960 0.003 0.000 0.227 152 G HA3 -0.240 3.722 3.960 0.003 0.000 0.227 152 G C 0.282 174.985 174.900 -0.328 0.000 0.986 152 G CA 0.188 45.181 45.100 -0.178 0.000 0.651 152 G HN 0.229 nan 8.290 nan 0.000 0.523 153 T N 1.442 115.815 114.554 -0.302 0.000 2.832 153 T HA 0.525 4.876 4.350 0.003 0.000 0.296 153 T C 0.134 174.382 174.700 -0.753 0.000 0.968 153 T CA -0.010 61.812 62.100 -0.463 0.000 1.107 153 T CB 0.847 69.422 68.868 -0.489 0.000 0.916 153 T HN 0.190 nan 8.240 nan 0.000 0.517 154 F N 3.145 122.718 119.950 -0.629 0.000 2.445 154 F HA 0.465 4.994 4.527 0.002 0.000 0.359 154 F C 0.116 175.371 175.800 -0.907 0.000 1.101 154 F CA -0.446 57.199 58.000 -0.593 0.000 1.177 154 F CB 0.222 39.025 39.000 -0.330 0.000 1.110 154 F HN 0.436 nan 8.300 nan 0.000 0.522 155 F N 3.473 123.042 119.950 -0.635 0.000 2.598 155 F HA 0.707 5.236 4.527 0.003 0.000 0.327 155 F C -0.531 174.960 175.800 -0.515 0.000 1.057 155 F CA -1.318 56.246 58.000 -0.727 0.000 0.957 155 F CB 1.911 40.107 39.000 -1.340 0.000 1.278 155 F HN 0.182 nan 8.300 nan 0.000 0.484 156 I N 1.572 122.213 120.570 0.118 0.000 2.656 156 I HA 0.428 4.599 4.170 0.003 0.000 0.292 156 I C -1.451 174.929 176.117 0.439 0.000 1.144 156 I CA -0.276 61.160 61.300 0.226 0.000 1.038 156 I CB 1.648 39.724 38.000 0.126 0.000 1.244 156 I HN 0.506 nan 8.210 nan 0.000 0.420 157 N N 4.901 123.880 118.700 0.465 0.000 2.492 157 N HA 0.344 5.086 4.740 0.003 0.000 0.289 157 N C -1.176 174.610 175.510 0.459 0.000 1.133 157 N CA -0.713 52.594 53.050 0.428 0.000 0.961 157 N CB 0.973 39.676 38.487 0.360 0.000 1.186 157 N HN 0.488 nan 8.380 nan 0.000 0.493 158 K N 0.125 120.832 120.400 0.513 0.000 2.367 158 K HA -0.008 4.313 4.320 0.003 0.000 0.275 158 K C -0.613 176.182 176.600 0.325 0.000 1.125 158 K CA 0.225 56.805 56.287 0.489 0.000 1.133 158 K CB -0.232 32.538 32.500 0.450 0.000 0.875 158 K HN 0.408 nan 8.250 nan 0.000 0.467 159 T N 2.500 117.237 114.554 0.305 0.000 2.841 159 T HA 0.228 4.580 4.350 0.003 0.000 0.283 159 T C -1.532 173.322 174.700 0.257 0.000 1.000 159 T CA -0.822 61.480 62.100 0.337 0.000 0.977 159 T CB 1.549 70.628 68.868 0.352 0.000 0.979 159 T HN 0.725 nan 8.240 nan 0.000 0.446 160 E N 4.400 124.768 120.200 0.280 0.000 2.185 160 E HA 0.618 4.969 4.350 0.003 0.000 0.261 160 E C -1.327 175.399 176.600 0.211 0.000 0.879 160 E CA -0.555 55.962 56.400 0.196 0.000 0.756 160 E CB 0.678 30.468 29.700 0.149 0.000 1.152 160 E HN 0.666 nan 8.360 nan 0.000 0.416 161 I N 3.235 123.872 120.570 0.111 0.000 2.582 161 I HA 0.364 4.536 4.170 0.003 0.000 0.292 161 I C -0.600 175.491 176.117 -0.044 0.000 1.066 161 I CA -0.776 60.537 61.300 0.023 0.000 1.053 161 I CB 2.115 40.064 38.000 -0.085 0.000 1.241 161 I HN 0.473 nan 8.210 nan 0.000 0.421 162 E N 5.369 125.515 120.200 -0.091 0.000 2.402 162 E HA 0.268 4.620 4.350 0.003 0.000 0.244 162 E C -1.897 174.568 176.600 -0.226 0.000 0.945 162 E CA -0.361 55.967 56.400 -0.119 0.000 0.774 162 E CB 1.542 31.233 29.700 -0.015 0.000 1.296 162 E HN 0.503 nan 8.360 nan 0.000 0.414 163 D N 3.193 123.329 120.400 -0.440 0.000 2.419 163 D HA 0.625 5.266 4.640 0.003 0.000 0.234 163 D C -1.109 175.015 176.300 -0.293 0.000 1.014 163 D CA -0.348 53.363 54.000 -0.482 0.000 0.919 163 D CB 1.087 41.604 40.800 -0.472 0.000 1.366 163 D HN 0.329 nan 8.370 nan 0.000 0.490 164 F N -1.168 118.625 119.950 -0.261 0.000 2.744 164 F HA 0.564 5.092 4.527 0.002 0.000 0.311 164 F C -2.939 172.152 175.800 -1.182 0.000 1.144 164 F CA -1.944 55.781 58.000 -0.458 0.000 0.938 164 F CB 0.965 39.788 39.000 -0.295 0.000 1.292 164 F HN -0.012 nan 8.300 nan 0.000 0.444 165 P HA 0.172 nan 4.420 nan 0.000 0.271 165 P C -0.088 176.974 177.300 -0.397 0.000 1.216 165 P CA -0.115 62.284 63.100 -1.169 0.000 0.771 165 P CB 1.973 33.359 31.700 -0.523 0.000 0.864 166 R N 2.251 122.514 120.500 -0.395 0.000 2.057 166 R HA 0.014 4.356 4.340 0.003 0.000 0.229 166 R C 0.210 176.263 176.300 -0.412 0.000 1.136 166 R CA 1.193 57.090 56.100 -0.338 0.000 0.952 166 R CB -0.111 29.953 30.300 -0.394 0.000 0.848 166 R HN 0.395 nan 8.270 nan 0.000 0.430 167 F N 0.256 120.223 119.950 0.028 0.000 2.443 167 F HA 0.335 4.864 4.527 0.004 0.000 0.335 167 F C -1.369 174.480 175.800 0.081 0.000 1.104 167 F CA -2.850 55.199 58.000 0.081 0.000 1.013 167 F CB 1.694 40.778 39.000 0.140 0.000 1.136 167 F HN -0.017 nan 8.300 nan 0.000 0.470 168 P HA -0.160 nan 4.420 nan 0.000 0.218 168 P C 0.205 177.626 177.300 0.202 0.000 1.152 168 P CA 1.336 64.545 63.100 0.182 0.000 0.826 168 P CB 0.255 32.036 31.700 0.136 0.000 0.790 169 H N 1.535 120.692 119.070 0.145 0.000 2.652 169 H HA 0.353 4.911 4.556 0.002 0.000 0.298 169 H C -0.413 174.989 175.328 0.124 0.000 1.076 169 H CA -0.227 55.879 56.048 0.095 0.000 1.360 169 H CB 0.300 30.084 29.762 0.036 0.000 1.421 169 H HN -0.065 nan 8.280 nan 0.000 0.464 170 R N 3.868 124.429 120.500 0.102 0.000 2.576 170 R HA 0.332 4.674 4.340 0.003 0.000 0.283 170 R C -0.047 176.301 176.300 0.079 0.000 1.493 170 R CA -0.547 55.651 56.100 0.163 0.000 1.170 170 R CB 1.536 31.953 30.300 0.194 0.000 1.189 170 R HN 0.696 nan 8.270 nan 0.000 0.542 171 G N 1.363 110.256 108.800 0.156 0.000 2.705 171 G HA2 0.708 4.670 3.960 0.003 0.000 0.299 171 G HA3 0.708 4.670 3.960 0.003 0.000 0.299 171 G C -1.282 173.682 174.900 0.107 0.000 1.315 171 G CA -0.387 44.793 45.100 0.134 0.000 1.045 171 G HN 0.273 nan 8.290 nan 0.000 0.517 172 L N 0.253 121.540 121.223 0.107 0.000 2.676 172 L HA 0.405 4.746 4.340 0.003 0.000 0.262 172 L C -1.695 175.189 176.870 0.023 0.000 0.932 172 L CA -0.529 54.323 54.840 0.021 0.000 0.932 172 L CB 1.522 43.600 42.059 0.032 0.000 1.355 172 L HN 0.575 nan 8.230 nan 0.000 0.421 173 L N 5.000 126.116 121.223 -0.179 0.000 2.264 173 L HA 0.481 4.822 4.340 0.003 0.000 0.289 173 L C -1.257 175.410 176.870 -0.338 0.000 1.044 173 L CA -0.583 54.052 54.840 -0.342 0.000 0.807 173 L CB 1.294 42.897 42.059 -0.759 0.000 1.192 173 L HN 0.563 nan 8.230 nan 0.000 0.425 174 L N 4.884 126.012 121.223 -0.159 0.000 2.296 174 L HA 0.391 4.733 4.340 0.003 0.000 0.286 174 L C -0.259 176.553 176.870 -0.097 0.000 1.023 174 L CA -0.100 54.673 54.840 -0.112 0.000 0.812 174 L CB 1.401 43.492 42.059 0.055 0.000 1.223 174 L HN 0.473 nan 8.230 nan 0.000 0.421 175 D N 1.284 121.612 120.400 -0.119 0.000 2.347 175 D HA 0.147 4.788 4.640 0.003 0.000 0.235 175 D C 0.741 177.141 176.300 0.166 0.000 1.149 175 D CA -0.024 53.981 54.000 0.008 0.000 0.850 175 D CB 1.136 41.935 40.800 -0.001 0.000 1.061 175 D HN 0.642 nan 8.370 nan 0.000 0.487 176 T N -0.204 114.530 114.554 0.299 0.000 3.145 176 T HA 0.096 4.448 4.350 0.003 0.000 0.255 176 T C 1.328 176.298 174.700 0.450 0.000 1.039 176 T CA -0.118 62.227 62.100 0.409 0.000 0.928 176 T CB 0.399 69.645 68.868 0.630 0.000 1.029 176 T HN 0.142 nan 8.240 nan 0.000 0.554 177 S N 0.785 116.695 115.700 0.351 0.000 2.527 177 S HA 0.149 4.620 4.470 0.003 0.000 0.225 177 S C 2.108 176.896 174.600 0.313 0.000 1.046 177 S CA -0.082 58.308 58.200 0.316 0.000 0.929 177 S CB -0.081 63.277 63.200 0.263 0.000 0.851 177 S HN 0.262 nan 8.310 nan 0.000 0.565 178 R N 0.832 121.458 120.500 0.211 0.000 2.113 178 R HA 0.062 4.404 4.340 0.003 0.000 0.244 178 R C 0.130 176.405 176.300 -0.041 0.000 1.142 178 R CA 1.546 57.701 56.100 0.092 0.000 0.953 178 R CB -0.709 29.624 30.300 0.055 0.000 0.860 178 R HN 0.556 nan 8.270 nan 0.000 0.438 179 H N -2.819 116.391 119.070 0.232 0.000 2.759 179 H HA 0.215 4.773 4.556 0.003 0.000 0.354 179 H C -1.364 174.151 175.328 0.311 0.000 1.074 179 H CA -0.997 55.180 56.048 0.214 0.000 1.226 179 H CB 1.256 31.083 29.762 0.107 0.000 1.648 179 H HN 0.009 nan 8.280 nan 0.000 0.529 180 Y N 3.147 123.674 120.300 0.377 0.000 2.597 180 Y HA 0.221 4.773 4.550 0.003 0.000 0.336 180 Y C -0.955 175.088 175.900 0.239 0.000 1.216 180 Y CA 0.007 58.311 58.100 0.339 0.000 1.463 180 Y CB 0.361 39.025 38.460 0.339 0.000 1.303 180 Y HN 0.480 nan 8.280 nan 0.000 0.576 181 L N 8.763 129.681 121.223 -0.508 0.000 2.343 181 L HA 0.418 4.760 4.340 0.003 0.000 0.278 181 L C -2.321 174.143 176.870 -0.676 0.000 0.996 181 L CA -2.263 52.345 54.840 -0.387 0.000 0.831 181 L CB 1.720 43.701 42.059 -0.131 0.000 1.232 181 L HN 0.565 nan 8.230 nan 0.000 0.413 182 P HA -0.057 nan 4.420 nan 0.000 0.269 182 P C 0.679 177.926 177.300 -0.089 0.000 1.211 182 P CA -0.237 62.762 63.100 -0.169 0.000 0.781 182 P CB 0.802 32.484 31.700 -0.030 0.000 0.877 183 L N 2.801 124.040 121.223 0.027 0.000 2.042 183 L HA -0.244 4.097 4.340 0.003 0.000 0.210 183 L C 2.296 179.097 176.870 -0.116 0.000 1.076 183 L CA 2.594 57.441 54.840 0.012 0.000 0.749 183 L CB -1.299 40.803 42.059 0.071 0.000 0.893 183 L HN 0.474 nan 8.230 nan 0.000 0.432 184 S N -2.068 113.575 115.700 -0.096 0.000 2.370 184 S HA -0.217 4.255 4.470 0.003 0.000 0.226 184 S C 2.063 176.566 174.600 -0.161 0.000 1.033 184 S CA 1.448 59.570 58.200 -0.130 0.000 1.011 184 S CB -0.924 62.232 63.200 -0.074 0.000 0.852 184 S HN 0.510 nan 8.310 nan 0.000 0.457 185 S N 2.490 118.109 115.700 -0.135 0.000 2.365 185 S HA -0.048 4.423 4.470 0.003 0.000 0.225 185 S C 1.849 176.322 174.600 -0.211 0.000 1.039 185 S CA 1.784 59.901 58.200 -0.140 0.000 1.033 185 S CB -0.689 62.438 63.200 -0.121 0.000 0.887 185 S HN 0.594 nan 8.310 nan 0.000 0.447 186 I N 1.297 121.698 120.570 -0.281 0.000 2.179 186 I HA -0.167 4.005 4.170 0.003 0.000 0.242 186 I C 2.181 177.991 176.117 -0.512 0.000 1.088 186 I CA 1.093 62.125 61.300 -0.446 0.000 1.357 186 I CB -0.507 37.172 38.000 -0.536 0.000 1.051 186 I HN 0.219 nan 8.210 nan 0.000 0.409 187 L N 0.481 121.409 121.223 -0.491 0.000 2.046 187 L HA -0.237 4.105 4.340 0.003 0.000 0.208 187 L C 2.215 178.773 176.870 -0.520 0.000 1.077 187 L CA 1.409 55.822 54.840 -0.711 0.000 0.747 187 L CB -0.757 40.803 42.059 -0.830 0.000 0.896 187 L HN 0.289 nan 8.230 nan 0.000 0.432 188 D N -0.679 119.530 120.400 -0.317 0.000 2.144 188 D HA -0.141 4.501 4.640 0.003 0.000 0.199 188 D C 2.148 178.343 176.300 -0.175 0.000 0.984 188 D CA 1.485 55.371 54.000 -0.188 0.000 0.834 188 D CB -0.316 40.416 40.800 -0.113 0.000 0.955 188 D HN 0.235 nan 8.370 nan 0.000 0.465 189 T N 1.230 115.673 114.554 -0.186 0.000 2.759 189 T HA -0.098 4.254 4.350 0.003 0.000 0.269 189 T C 2.201 176.804 174.700 -0.162 0.000 1.042 189 T CA 0.622 62.663 62.100 -0.098 0.000 1.140 189 T CB -0.270 68.486 68.868 -0.187 0.000 0.864 189 T HN 0.142 nan 8.240 nan 0.000 0.455 190 L N 0.857 121.899 121.223 -0.302 0.000 2.017 190 L HA -0.125 4.217 4.340 0.003 0.000 0.208 190 L C 2.607 179.341 176.870 -0.227 0.000 1.073 190 L CA 1.216 55.905 54.840 -0.251 0.000 0.745 190 L CB -0.650 41.287 42.059 -0.203 0.000 0.894 190 L HN 0.153 nan 8.230 nan 0.000 0.432 191 D N -0.027 120.234 120.400 -0.232 0.000 2.133 191 D HA -0.174 4.468 4.640 0.003 0.000 0.192 191 D C 2.223 177.981 176.300 -0.903 0.000 1.001 191 D CA 1.629 55.363 54.000 -0.443 0.000 0.844 191 D CB -0.129 40.497 40.800 -0.290 0.000 0.944 191 D HN 0.191 nan 8.370 nan 0.000 0.447 192 V N 0.633 120.157 119.914 -0.649 0.000 2.453 192 V HA -0.185 3.936 4.120 0.003 0.000 0.247 192 V C 2.561 178.243 176.094 -0.687 0.000 1.048 192 V CA 0.997 62.815 62.300 -0.803 0.000 1.049 192 V CB -0.464 30.668 31.823 -1.152 0.000 0.672 192 V HN 0.152 nan 8.190 nan 0.000 0.457 193 M N 0.563 119.959 119.600 -0.339 0.000 2.080 193 M HA -0.201 4.280 4.480 0.003 0.000 0.260 193 M C 2.480 178.699 176.300 -0.135 0.000 1.068 193 M CA 2.319 57.575 55.300 -0.074 0.000 1.109 193 M CB -0.630 31.975 32.600 0.008 0.000 1.342 193 M HN 0.425 nan 8.290 nan 0.000 0.405 194 A N -0.106 122.560 122.820 -0.258 0.000 1.917 194 A HA -0.210 4.111 4.320 0.003 0.000 0.219 194 A C 1.802 179.330 177.584 -0.094 0.000 1.182 194 A CA 1.711 53.627 52.037 -0.201 0.000 0.633 194 A CB -1.160 17.677 19.000 -0.273 0.000 0.819 194 A HN 0.505 nan 8.150 nan 0.000 0.448 195 Y N 0.577 120.845 120.300 -0.054 0.000 2.207 195 Y HA -0.159 4.392 4.550 0.002 0.000 0.287 195 Y C 2.230 178.183 175.900 0.089 0.000 1.156 195 Y CA 1.014 59.139 58.100 0.040 0.000 1.182 195 Y CB -0.736 37.732 38.460 0.013 0.000 0.979 195 Y HN 0.370 nan 8.280 nan 0.000 0.521 196 N N 0.061 118.860 118.700 0.164 0.000 2.467 196 N HA -0.060 4.681 4.740 0.003 0.000 0.184 196 N C 0.529 176.020 175.510 -0.031 0.000 1.106 196 N CA 0.643 53.754 53.050 0.102 0.000 0.892 196 N CB 0.076 38.679 38.487 0.194 0.000 0.969 196 N HN 0.353 nan 8.380 nan 0.000 0.454 197 K N -0.410 119.952 120.400 -0.062 0.000 3.547 197 K HA -0.148 4.173 4.320 0.003 0.000 0.309 197 K C -0.320 176.304 176.600 0.039 0.000 1.324 197 K CA 0.361 56.582 56.287 -0.110 0.000 0.988 197 K CB -1.519 30.713 32.500 -0.447 0.000 1.261 197 K HN 0.197 nan 8.250 nan 0.000 0.444 198 L N 2.209 123.474 121.223 0.069 0.000 2.540 198 L HA -0.059 4.283 4.340 0.003 0.000 0.276 198 L C 1.413 178.317 176.870 0.058 0.000 1.212 198 L CA 0.411 55.310 54.840 0.099 0.000 0.893 198 L CB 0.088 42.225 42.059 0.130 0.000 1.138 198 L HN 0.302 nan 8.230 nan 0.000 0.491 199 N N 1.708 120.434 118.700 0.043 0.000 2.159 199 N HA 0.065 4.807 4.740 0.003 0.000 0.217 199 N C -0.601 174.867 175.510 -0.069 0.000 1.223 199 N CA -0.086 52.956 53.050 -0.014 0.000 0.896 199 N CB 0.725 39.211 38.487 -0.002 0.000 1.064 199 N HN 0.248 nan 8.380 nan 0.000 0.518 200 V N 2.010 121.883 119.914 -0.067 0.000 2.443 200 V HA 0.392 4.514 4.120 0.003 0.000 0.293 200 V C -1.317 174.835 176.094 0.097 0.000 1.021 200 V CA -0.935 61.310 62.300 -0.092 0.000 0.848 200 V CB 1.375 32.950 31.823 -0.414 0.000 0.998 200 V HN 0.131 nan 8.190 nan 0.000 0.424 201 F N 4.990 124.915 119.950 -0.042 0.000 2.390 201 F HA 0.431 4.960 4.527 0.002 0.000 0.361 201 F C 0.203 176.030 175.800 0.045 0.000 1.124 201 F CA -0.899 57.091 58.000 -0.016 0.000 1.149 201 F CB 0.337 39.308 39.000 -0.047 0.000 1.160 201 F HN 0.665 nan 8.300 nan 0.000 0.501 202 H N 7.009 125.950 119.070 -0.215 0.000 2.872 202 H HA 0.113 4.670 4.556 0.003 0.000 0.273 202 H C -0.897 174.078 175.328 -0.588 0.000 1.205 202 H CA -0.645 55.206 56.048 -0.327 0.000 1.342 202 H CB 0.194 29.860 29.762 -0.159 0.000 1.469 202 H HN 0.681 nan 8.280 nan 0.000 0.487 203 W N 7.368 128.169 121.300 -0.833 0.000 2.416 203 W HA 0.071 4.732 4.660 0.003 0.000 0.318 203 W C -0.567 175.711 176.519 -0.402 0.000 1.150 203 W CA -0.561 56.282 57.345 -0.837 0.000 1.392 203 W CB -0.190 28.718 29.460 -0.919 0.000 1.311 203 W HN 0.652 nan 8.180 nan 0.000 0.436 204 H N 7.302 126.420 119.070 0.081 0.000 2.726 204 H HA 0.097 4.655 4.556 0.003 0.000 0.244 204 H C 0.992 176.285 175.328 -0.059 0.000 1.669 204 H CA 0.088 56.111 56.048 -0.042 0.000 1.293 204 H CB 0.119 29.832 29.762 -0.081 0.000 1.640 204 H HN 0.404 nan 8.280 nan 0.000 0.553 205 L N 3.529 124.482 121.223 -0.450 0.000 1.994 205 L HA -0.157 4.185 4.340 0.003 0.000 0.208 205 L C 0.917 177.657 176.870 -0.217 0.000 1.071 205 L CA 1.319 55.820 54.840 -0.564 0.000 0.745 205 L CB -0.206 41.079 42.059 -1.290 0.000 0.892 205 L HN 0.368 nan 8.230 nan 0.000 0.431 206 V N -4.213 115.518 119.914 -0.304 0.000 2.656 206 V HA 0.703 4.825 4.120 0.003 0.000 0.307 206 V C -0.929 175.310 176.094 0.241 0.000 1.051 206 V CA -0.838 61.390 62.300 -0.120 0.000 0.893 206 V CB 2.229 33.741 31.823 -0.517 0.000 0.999 206 V HN 0.101 nan 8.190 nan 0.000 0.426 207 D N 1.303 121.909 120.400 0.344 0.000 2.768 207 D HA 0.220 4.861 4.640 0.003 0.000 0.327 207 D C 0.153 176.651 176.300 0.329 0.000 1.302 207 D CA -0.252 53.995 54.000 0.411 0.000 0.897 207 D CB 2.563 43.595 40.800 0.386 0.000 1.420 207 D HN 0.601 nan 8.370 nan 0.000 0.494 208 D N 0.268 120.819 120.400 0.253 0.000 2.177 208 D HA -0.141 4.500 4.640 0.003 0.000 0.189 208 D C -1.069 175.291 176.300 0.100 0.000 1.002 208 D CA 1.617 55.703 54.000 0.143 0.000 0.845 208 D CB -0.929 39.899 40.800 0.046 0.000 0.960 208 D HN 0.349 nan 8.370 nan 0.000 0.447 209 P HA 0.081 nan 4.420 nan 0.000 0.249 209 P C -0.098 177.093 177.300 -0.183 0.000 1.229 209 P CA 0.526 63.631 63.100 0.008 0.000 0.788 209 P CB 0.648 32.394 31.700 0.076 0.000 1.072 210 S N -0.787 114.844 115.700 -0.116 0.000 2.543 210 S HA 0.538 5.009 4.470 0.003 0.000 0.274 210 S C -2.168 172.454 174.600 0.037 0.000 1.149 210 S CA -0.557 57.481 58.200 -0.270 0.000 0.866 210 S CB 0.556 63.520 63.200 -0.393 0.000 1.111 210 S HN -0.114 nan 8.310 nan 0.000 0.457 211 F N 6.312 126.189 119.950 -0.123 0.000 2.660 211 F HA 0.502 5.031 4.527 0.003 0.000 0.352 211 F C -2.006 173.816 175.800 0.037 0.000 1.257 211 F CA -1.898 56.069 58.000 -0.055 0.000 1.200 211 F CB 1.982 40.880 39.000 -0.171 0.000 1.473 211 F HN 0.414 nan 8.300 nan 0.000 0.561 212 P HA -0.113 nan 4.420 nan 0.000 0.236 212 P C -0.087 177.400 177.300 0.312 0.000 1.177 212 P CA 0.606 63.847 63.100 0.235 0.000 0.773 212 P CB -0.167 31.791 31.700 0.430 0.000 0.878 213 Y N 2.456 122.780 120.300 0.041 0.000 2.436 213 Y HA 0.177 4.729 4.550 0.003 0.000 0.336 213 Y C 0.569 176.625 175.900 0.260 0.000 1.049 213 Y CA -1.413 56.761 58.100 0.124 0.000 1.294 213 Y CB 0.097 38.516 38.460 -0.068 0.000 1.179 213 Y HN -0.145 nan 8.280 nan 0.000 0.520 214 E N 5.050 125.092 120.200 -0.264 0.000 2.029 214 E HA 0.106 4.458 4.350 0.003 0.000 0.276 214 E C -0.637 175.595 176.600 -0.613 0.000 1.163 214 E CA -0.141 56.096 56.400 -0.271 0.000 0.909 214 E CB 0.264 29.918 29.700 -0.076 0.000 1.046 214 E HN 0.624 nan 8.360 nan 0.000 0.406 215 S N 3.797 119.295 115.700 -0.336 0.000 2.562 215 S HA 0.174 4.645 4.470 0.003 0.000 0.275 215 S C 0.437 175.018 174.600 -0.032 0.000 1.281 215 S CA -0.676 57.415 58.200 -0.182 0.000 1.045 215 S CB 0.320 63.625 63.200 0.176 0.000 0.962 215 S HN 0.569 nan 8.310 nan 0.000 0.503 216 F N 2.014 121.930 119.950 -0.056 0.000 2.731 216 F HA 0.239 4.767 4.527 0.003 0.000 0.298 216 F C 1.874 177.625 175.800 -0.083 0.000 1.106 216 F CA 0.320 58.283 58.000 -0.062 0.000 1.329 216 F CB -1.020 37.938 39.000 -0.070 0.000 1.100 216 F HN 0.568 nan 8.300 nan 0.000 0.592 217 T N -2.355 111.905 114.554 -0.491 0.000 2.978 217 T HA 0.113 4.465 4.350 0.003 0.000 0.262 217 T C 0.279 174.591 174.700 -0.647 0.000 1.063 217 T CA 0.695 62.483 62.100 -0.519 0.000 1.140 217 T CB -0.623 67.887 68.868 -0.596 0.000 0.886 217 T HN 0.198 nan 8.240 nan 0.000 0.470 218 F N 1.277 121.207 119.950 -0.034 0.000 2.584 218 F HA 0.438 4.966 4.527 0.003 0.000 0.328 218 F C -2.212 173.572 175.800 -0.026 0.000 1.407 218 F CA -2.624 55.385 58.000 0.015 0.000 1.145 218 F CB 1.604 40.667 39.000 0.104 0.000 1.440 218 F HN -0.068 nan 8.300 nan 0.000 0.580 219 P HA -0.212 nan 4.420 nan 0.000 0.217 219 P C 1.570 178.880 177.300 0.017 0.000 1.148 219 P CA 1.419 64.545 63.100 0.044 0.000 0.834 219 P CB 0.377 32.096 31.700 0.032 0.000 0.783 220 E N -0.686 119.526 120.200 0.019 0.000 2.118 220 E HA -0.149 4.203 4.350 0.003 0.000 0.195 220 E C 2.063 178.586 176.600 -0.128 0.000 0.992 220 E CA 0.817 57.194 56.400 -0.038 0.000 0.804 220 E CB -1.022 28.661 29.700 -0.028 0.000 0.741 220 E HN 0.299 nan 8.360 nan 0.000 0.458 221 L N 0.236 121.336 121.223 -0.205 0.000 1.997 221 L HA -0.242 4.100 4.340 0.003 0.000 0.216 221 L C 2.627 179.250 176.870 -0.412 0.000 1.074 221 L CA 1.557 56.069 54.840 -0.547 0.000 0.763 221 L CB -0.412 41.132 42.059 -0.858 0.000 0.890 221 L HN 0.233 nan 8.230 nan 0.000 0.434 222 M N -0.443 119.102 119.600 -0.092 0.000 2.156 222 M HA -0.173 4.308 4.480 0.003 0.000 0.264 222 M C 2.421 178.733 176.300 0.019 0.000 1.067 222 M CA 1.727 57.091 55.300 0.105 0.000 1.131 222 M CB -0.530 32.145 32.600 0.125 0.000 1.368 222 M HN 0.134 nan 8.290 nan 0.000 0.416 223 R N -0.110 120.378 120.500 -0.020 0.000 2.096 223 R HA -0.135 4.207 4.340 0.003 0.000 0.235 223 R C 1.793 178.069 176.300 -0.039 0.000 1.127 223 R CA 1.481 57.568 56.100 -0.022 0.000 0.968 223 R CB -0.088 30.199 30.300 -0.022 0.000 0.861 223 R HN 0.312 nan 8.270 nan 0.000 0.440 224 K N -1.172 119.186 120.400 -0.070 0.000 2.374 224 K HA 0.102 4.424 4.320 0.003 0.000 0.202 224 K C 0.992 177.536 176.600 -0.094 0.000 1.040 224 K CA 0.119 56.359 56.287 -0.079 0.000 1.085 224 K CB 1.166 33.611 32.500 -0.093 0.000 0.873 224 K HN 0.221 nan 8.250 nan 0.000 0.539 225 G N -0.130 108.616 108.800 -0.090 0.000 2.945 225 G HA2 -0.005 3.957 3.960 0.003 0.000 0.225 225 G HA3 -0.005 3.957 3.960 0.003 0.000 0.225 225 G C 0.234 175.112 174.900 -0.037 0.000 1.046 225 G CA -0.105 44.950 45.100 -0.074 0.000 0.842 225 G HN 0.270 nan 8.290 nan 0.000 0.543 226 S N -0.596 115.090 115.700 -0.022 0.000 2.624 226 S HA 0.359 4.830 4.470 0.003 0.000 0.263 226 S C 0.948 175.457 174.600 -0.152 0.000 1.287 226 S CA -0.428 57.737 58.200 -0.057 0.000 0.990 226 S CB 0.752 63.962 63.200 0.017 0.000 0.950 226 S HN 0.126 nan 8.310 nan 0.000 0.561 227 Y N 1.008 121.273 120.300 -0.059 0.000 2.184 227 Y HA 0.137 4.689 4.550 0.003 0.000 0.290 227 Y C 1.471 177.257 175.900 -0.189 0.000 1.129 227 Y CA 1.430 59.429 58.100 -0.169 0.000 1.144 227 Y CB -0.224 38.025 38.460 -0.352 0.000 0.995 227 Y HN 0.805 nan 8.280 nan 0.000 0.513 228 N N -0.792 117.894 118.700 -0.023 0.000 2.549 228 N HA 0.245 4.987 4.740 0.003 0.000 0.290 228 N C -2.781 172.733 175.510 0.007 0.000 1.122 228 N CA -1.614 51.426 53.050 -0.016 0.000 0.885 228 N CB 1.668 40.144 38.487 -0.017 0.000 1.455 228 N HN -0.315 nan 8.380 nan 0.000 0.521 229 P HA -0.085 nan 4.420 nan 0.000 0.240 229 P C 0.157 177.456 177.300 -0.001 0.000 1.186 229 P CA 0.624 63.725 63.100 0.001 0.000 0.755 229 P CB 0.299 31.998 31.700 -0.001 0.000 0.870 230 V N -2.454 117.459 119.914 -0.002 0.000 3.161 230 V HA -0.043 4.079 4.120 0.003 0.000 0.221 230 V C 2.302 178.377 176.094 -0.031 0.000 1.296 230 V CA 1.394 63.690 62.300 -0.007 0.000 1.306 230 V CB -1.127 30.698 31.823 0.004 0.000 1.171 230 V HN 0.098 nan 8.190 nan 0.000 0.513 231 T N -1.710 112.840 114.554 -0.007 0.000 3.014 231 T HA -0.043 4.309 4.350 0.003 0.000 0.263 231 T C 0.849 175.332 174.700 -0.362 0.000 1.078 231 T CA 1.158 63.225 62.100 -0.056 0.000 1.135 231 T CB -0.303 68.609 68.868 0.074 0.000 0.895 231 T HN 0.538 nan 8.240 nan 0.000 0.480 232 H N 0.666 119.429 119.070 -0.513 0.000 2.412 232 H HA 0.541 5.099 4.556 0.003 0.000 0.239 232 H C -0.911 173.917 175.328 -0.833 0.000 1.388 232 H CA -1.037 54.326 56.048 -1.142 0.000 1.148 232 H CB -0.177 29.244 29.762 -0.569 0.000 1.637 232 H HN 0.225 nan 8.280 nan 0.000 0.542 233 I N 0.916 121.168 120.570 -0.529 0.000 2.608 233 I HA 0.196 4.367 4.170 0.003 0.000 0.295 233 I C -0.556 175.513 176.117 -0.079 0.000 1.049 233 I CA -1.249 59.954 61.300 -0.161 0.000 1.063 233 I CB 1.407 39.381 38.000 -0.044 0.000 1.248 233 I HN 0.278 nan 8.210 nan 0.000 0.424 234 Y N 3.803 124.301 120.300 0.330 0.000 2.417 234 Y HA 0.350 4.902 4.550 0.003 0.000 0.336 234 Y C 1.034 177.070 175.900 0.227 0.000 0.961 234 Y CA -0.612 57.702 58.100 0.357 0.000 1.215 234 Y CB 1.182 39.931 38.460 0.481 0.000 1.120 234 Y HN 0.469 nan 8.280 nan 0.000 0.499 235 T N 0.834 115.572 114.554 0.307 0.000 2.726 235 T HA 0.160 4.512 4.350 0.003 0.000 0.294 235 T C 1.482 176.298 174.700 0.194 0.000 1.013 235 T CA 0.088 62.297 62.100 0.181 0.000 0.996 235 T CB 1.136 70.084 68.868 0.133 0.000 1.016 235 T HN 0.803 nan 8.240 nan 0.000 0.529 236 A N 0.418 123.308 122.820 0.118 0.000 1.902 236 A HA -0.146 4.176 4.320 0.003 0.000 0.217 236 A C 2.293 179.935 177.584 0.097 0.000 1.181 236 A CA 1.748 53.847 52.037 0.104 0.000 0.623 236 A CB -0.909 18.106 19.000 0.025 0.000 0.818 236 A HN 0.709 nan 8.150 nan 0.000 0.443 237 Q N 0.339 120.190 119.800 0.084 0.000 2.135 237 Q HA -0.188 4.153 4.340 0.003 0.000 0.204 237 Q C 1.354 177.432 176.000 0.129 0.000 0.981 237 Q CA 2.203 58.057 55.803 0.084 0.000 0.856 237 Q CB -0.447 28.331 28.738 0.067 0.000 0.902 237 Q HN 0.635 nan 8.270 nan 0.000 0.425 238 D N -1.025 119.489 120.400 0.190 0.000 2.084 238 D HA -0.123 4.519 4.640 0.003 0.000 0.194 238 D C 1.896 178.360 176.300 0.274 0.000 0.990 238 D CA 1.711 55.867 54.000 0.261 0.000 0.826 238 D CB -0.273 40.775 40.800 0.412 0.000 0.971 238 D HN 0.194 nan 8.370 nan 0.000 0.453 239 V N 2.157 122.248 119.914 0.295 0.000 2.469 239 V HA -0.240 3.881 4.120 0.003 0.000 0.251 239 V C 2.342 178.535 176.094 0.165 0.000 1.064 239 V CA 1.883 64.350 62.300 0.278 0.000 1.066 239 V CB -0.723 31.175 31.823 0.124 0.000 0.667 239 V HN 0.364 nan 8.190 nan 0.000 0.461 240 K N 0.273 120.738 120.400 0.108 0.000 2.186 240 K HA -0.072 4.250 4.320 0.003 0.000 0.202 240 K C 1.803 178.468 176.600 0.109 0.000 1.052 240 K CA 1.193 57.527 56.287 0.078 0.000 0.965 240 K CB -0.214 32.312 32.500 0.043 0.000 0.746 240 K HN 0.449 nan 8.250 nan 0.000 0.457 241 E N 1.404 121.676 120.200 0.120 0.000 2.058 241 E HA -0.150 4.201 4.350 0.003 0.000 0.194 241 E C 2.105 178.789 176.600 0.140 0.000 0.997 241 E CA 1.571 58.047 56.400 0.125 0.000 0.801 241 E CB -0.169 29.594 29.700 0.106 0.000 0.746 241 E HN 0.077 nan 8.360 nan 0.000 0.450 242 V N 1.379 121.369 119.914 0.126 0.000 2.324 242 V HA -0.285 3.836 4.120 0.003 0.000 0.250 242 V C 2.212 178.408 176.094 0.171 0.000 1.060 242 V CA 1.693 64.050 62.300 0.095 0.000 1.042 242 V CB -0.393 31.512 31.823 0.136 0.000 0.650 242 V HN 0.277 nan 8.190 nan 0.000 0.450 243 I N -0.424 120.265 120.570 0.200 0.000 2.286 243 I HA -0.154 4.017 4.170 0.003 0.000 0.245 243 I C 2.576 178.781 176.117 0.147 0.000 1.104 243 I CA 1.353 62.768 61.300 0.191 0.000 1.397 243 I CB -0.262 37.837 38.000 0.165 0.000 1.072 243 I HN 0.310 nan 8.210 nan 0.000 0.417 244 E N 0.754 121.034 120.200 0.134 0.000 2.047 244 E HA -0.260 4.092 4.350 0.003 0.000 0.191 244 E C 2.117 178.784 176.600 0.113 0.000 0.987 244 E CA 1.525 57.991 56.400 0.111 0.000 0.799 244 E CB -0.445 29.311 29.700 0.093 0.000 0.752 244 E HN 0.441 nan 8.360 nan 0.000 0.449 245 Y N 0.351 120.658 120.300 0.012 0.000 2.081 245 Y HA -0.272 4.280 4.550 0.003 0.000 0.280 245 Y C 2.194 178.073 175.900 -0.035 0.000 1.163 245 Y CA 2.294 60.381 58.100 -0.022 0.000 1.135 245 Y CB -0.558 37.871 38.460 -0.051 0.000 0.970 245 Y HN 0.162 nan 8.280 nan 0.000 0.498 246 A N 0.098 123.045 122.820 0.212 0.000 2.019 246 A HA -0.216 4.105 4.320 0.003 0.000 0.219 246 A C 2.295 179.898 177.584 0.031 0.000 1.164 246 A CA 1.727 53.823 52.037 0.099 0.000 0.644 246 A CB -0.751 18.306 19.000 0.096 0.000 0.805 246 A HN 0.553 nan 8.150 nan 0.000 0.449 247 R N -0.424 120.105 120.500 0.047 0.000 2.090 247 R HA 0.066 4.408 4.340 0.003 0.000 0.228 247 R C 1.595 177.957 176.300 0.103 0.000 1.110 247 R CA 0.954 57.076 56.100 0.037 0.000 0.973 247 R CB -0.290 30.064 30.300 0.090 0.000 0.869 247 R HN 0.519 nan 8.270 nan 0.000 0.440 248 L N 0.127 121.377 121.223 0.045 0.000 2.456 248 L HA -0.040 4.301 4.340 0.003 0.000 0.224 248 L C 1.600 178.489 176.870 0.032 0.000 1.148 248 L CA 0.881 55.738 54.840 0.029 0.000 0.825 248 L CB 0.012 42.006 42.059 -0.107 0.000 0.937 248 L HN 0.029 nan 8.230 nan 0.000 0.450 249 R N -0.364 120.138 120.500 0.002 0.000 2.432 249 R HA 0.236 4.578 4.340 0.003 0.000 0.260 249 R C 0.825 177.135 176.300 0.018 0.000 0.935 249 R CA 0.410 56.508 56.100 -0.004 0.000 1.080 249 R CB 0.647 30.907 30.300 -0.067 0.000 1.155 249 R HN 0.163 nan 8.270 nan 0.000 0.531 250 G N 1.489 110.285 108.800 -0.007 0.000 2.333 250 G HA2 -0.259 3.703 3.960 0.003 0.000 0.296 250 G HA3 -0.259 3.703 3.960 0.003 0.000 0.296 250 G C -0.250 174.500 174.900 -0.251 0.000 1.059 250 G CA 0.115 45.055 45.100 -0.267 0.000 1.050 250 G HN 0.262 nan 8.290 nan 0.000 0.508 251 I N -0.452 120.005 120.570 -0.188 0.000 2.499 251 I HA 0.406 4.578 4.170 0.003 0.000 0.288 251 I C 0.544 176.624 176.117 -0.061 0.000 1.048 251 I CA -1.032 60.209 61.300 -0.099 0.000 1.062 251 I CB 1.751 39.735 38.000 -0.027 0.000 1.238 251 I HN 0.085 nan 8.210 nan 0.000 0.426 252 R N 4.465 124.929 120.500 -0.059 0.000 2.340 252 R HA 0.452 4.793 4.340 0.003 0.000 0.300 252 R C -0.818 175.537 176.300 0.091 0.000 1.069 252 R CA -0.589 55.511 56.100 -0.001 0.000 0.984 252 R CB 1.154 31.434 30.300 -0.033 0.000 1.003 252 R HN 0.322 nan 8.270 nan 0.000 0.459 253 V N 5.350 125.359 119.914 0.158 0.000 2.368 253 V HA 0.110 4.232 4.120 0.003 0.000 0.266 253 V C -0.314 175.819 176.094 0.066 0.000 1.045 253 V CA -0.482 61.941 62.300 0.204 0.000 0.899 253 V CB 0.970 33.029 31.823 0.393 0.000 1.006 253 V HN 0.463 nan 8.190 nan 0.000 0.470 254 L N 6.375 127.539 121.223 -0.098 0.000 2.287 254 L HA 0.731 5.073 4.340 0.003 0.000 0.280 254 L C 0.591 177.216 176.870 -0.408 0.000 1.055 254 L CA -0.022 54.691 54.840 -0.212 0.000 0.863 254 L CB 0.635 42.559 42.059 -0.226 0.000 1.245 254 L HN 0.680 nan 8.230 nan 0.000 0.432 255 A N 4.312 126.801 122.820 -0.553 0.000 2.425 255 A HA 0.411 4.732 4.320 0.003 0.000 0.249 255 A C 0.030 177.318 177.584 -0.493 0.000 1.084 255 A CA -0.262 51.276 52.037 -0.832 0.000 0.781 255 A CB 0.198 18.224 19.000 -1.624 0.000 1.019 255 A HN 0.740 nan 8.150 nan 0.000 0.490 256 E N 2.275 122.133 120.200 -0.570 0.000 2.325 256 E HA 0.404 4.756 4.350 0.003 0.000 0.248 256 E C -1.778 174.559 176.600 -0.438 0.000 0.912 256 E CA -0.243 55.973 56.400 -0.306 0.000 0.782 256 E CB 0.536 30.091 29.700 -0.242 0.000 1.264 256 E HN 0.541 nan 8.360 nan 0.000 0.417 257 F N 2.954 122.925 119.950 0.035 0.000 2.395 257 F HA 0.152 4.681 4.527 0.003 0.000 0.347 257 F C 0.608 176.705 175.800 0.494 0.000 1.157 257 F CA -0.788 57.371 58.000 0.265 0.000 1.272 257 F CB 0.299 39.485 39.000 0.311 0.000 1.607 257 F HN 0.359 nan 8.300 nan 0.000 0.571 258 D N 2.670 123.291 120.400 0.369 0.000 2.520 258 D HA 0.036 4.677 4.640 0.003 0.000 0.243 258 D C 0.041 176.498 176.300 0.261 0.000 1.160 258 D CA 0.718 54.910 54.000 0.319 0.000 0.877 258 D CB 0.668 41.586 40.800 0.196 0.000 1.150 258 D HN 0.480 nan 8.370 nan 0.000 0.494 259 T N 1.384 116.089 114.554 0.252 0.000 2.923 259 T HA 0.522 4.874 4.350 0.003 0.000 0.311 259 T C -2.432 172.402 174.700 0.223 0.000 1.183 259 T CA -1.311 60.863 62.100 0.125 0.000 1.020 259 T CB 2.363 71.387 68.868 0.261 0.000 1.165 259 T HN 0.110 nan 8.240 nan 0.000 0.482 260 P HA 0.250 nan 4.420 nan 0.000 0.261 260 P C 0.853 178.001 177.300 -0.253 0.000 1.268 260 P CA 0.102 63.066 63.100 -0.226 0.000 0.833 260 P CB -0.023 31.409 31.700 -0.447 0.000 1.231 261 G N -0.175 108.546 108.800 -0.132 0.000 2.537 261 G HA2 0.151 4.112 3.960 0.003 0.000 0.273 261 G HA3 0.151 4.112 3.960 0.003 0.000 0.273 261 G C -0.187 174.699 174.900 -0.024 0.000 1.189 261 G CA -0.151 44.857 45.100 -0.154 0.000 0.881 261 G HN 0.304 nan 8.290 nan 0.000 0.535 262 H N -0.812 118.162 119.070 -0.160 0.000 2.756 262 H HA -0.178 4.380 4.556 0.003 0.000 0.315 262 H C 0.931 176.228 175.328 -0.051 0.000 1.210 262 H CA 1.105 57.109 56.048 -0.073 0.000 1.150 262 H CB -1.977 27.788 29.762 0.006 0.000 1.463 262 H HN 0.693 nan 8.280 nan 0.000 0.427 263 T N -3.145 111.333 114.554 -0.127 0.000 3.170 263 T HA 0.286 4.638 4.350 0.003 0.000 0.288 263 T C 1.870 176.526 174.700 -0.073 0.000 0.992 263 T CA -0.246 61.635 62.100 -0.366 0.000 0.909 263 T CB 0.419 68.823 68.868 -0.774 0.000 1.133 263 T HN 0.192 nan 8.240 nan 0.000 0.530 264 L N 2.157 123.390 121.223 0.017 0.000 2.081 264 L HA -0.150 4.192 4.340 0.003 0.000 0.212 264 L C 2.946 179.875 176.870 0.099 0.000 1.080 264 L CA 1.816 56.673 54.840 0.029 0.000 0.754 264 L CB -0.579 41.488 42.059 0.013 0.000 0.893 264 L HN 0.500 nan 8.230 nan 0.000 0.433 265 S N -1.466 114.385 115.700 0.251 0.000 2.447 265 S HA -0.177 4.294 4.470 0.003 0.000 0.233 265 S C 1.441 176.119 174.600 0.130 0.000 1.006 265 S CA 0.609 58.930 58.200 0.202 0.000 0.957 265 S CB -0.607 62.755 63.200 0.270 0.000 0.773 265 S HN 0.460 nan 8.310 nan 0.000 0.507 266 W N 2.491 123.703 121.300 -0.146 0.000 2.453 266 W HA 0.361 5.022 4.660 0.003 0.000 0.289 266 W C 2.603 178.884 176.519 -0.396 0.000 1.215 266 W CA -0.356 56.787 57.345 -0.338 0.000 1.297 266 W CB -1.434 27.870 29.460 -0.260 0.000 1.113 266 W HN 0.366 nan 8.180 nan 0.000 0.551 267 G N 2.487 111.215 108.800 -0.120 0.000 2.777 267 G HA2 -0.257 3.705 3.960 0.003 0.000 0.217 267 G HA3 -0.257 3.705 3.960 0.003 0.000 0.217 267 G C -1.545 173.163 174.900 -0.320 0.000 1.295 267 G CA 0.745 45.650 45.100 -0.325 0.000 0.800 267 G HN 0.022 nan 8.290 nan 0.000 0.637 268 P HA 0.143 nan 4.420 nan 0.000 0.261 268 P C 0.809 177.983 177.300 -0.211 0.000 1.183 268 P CA 1.602 64.579 63.100 -0.205 0.000 0.761 268 P CB 0.646 32.258 31.700 -0.147 0.000 0.785 269 G N 3.556 112.246 108.800 -0.183 0.000 2.611 269 G HA2 -0.257 3.705 3.960 0.003 0.000 0.208 269 G HA3 -0.257 3.705 3.960 0.003 0.000 0.208 269 G C -0.233 174.559 174.900 -0.180 0.000 1.201 269 G CA 0.114 45.111 45.100 -0.172 0.000 0.739 269 G HN 0.636 nan 8.290 nan 0.000 0.528 270 I N 4.824 125.226 120.570 -0.279 0.000 2.412 270 I HA 0.580 4.751 4.170 0.003 0.000 0.279 270 I C -2.151 173.773 176.117 -0.322 0.000 1.063 270 I CA -3.456 57.641 61.300 -0.338 0.000 1.193 270 I CB 1.158 38.771 38.000 -0.645 0.000 1.370 270 I HN 0.098 nan 8.210 nan 0.000 0.479 271 P HA 0.283 nan 4.420 nan 0.000 0.271 271 P C 0.733 177.930 177.300 -0.170 0.000 1.216 271 P CA 0.657 63.648 63.100 -0.181 0.000 0.771 271 P CB 1.013 32.651 31.700 -0.103 0.000 0.864 272 G N 2.106 110.808 108.800 -0.162 0.000 2.241 272 G HA2 -0.324 3.637 3.960 0.003 0.000 0.244 272 G HA3 -0.324 3.637 3.960 0.003 0.000 0.244 272 G C 0.638 175.458 174.900 -0.133 0.000 0.998 272 G CA 0.264 45.304 45.100 -0.100 0.000 0.621 272 G HN 0.555 nan 8.290 nan 0.000 0.519 273 L N 0.906 121.988 121.223 -0.236 0.000 2.046 273 L HA 0.355 4.696 4.340 0.003 0.000 0.208 273 L C 1.490 178.243 176.870 -0.196 0.000 1.077 273 L CA 1.521 56.201 54.840 -0.268 0.000 0.747 273 L CB -0.228 41.566 42.059 -0.441 0.000 0.896 273 L HN 0.410 nan 8.230 nan 0.000 0.432 274 L N 0.138 121.239 121.223 -0.203 0.000 2.395 274 L HA 0.196 4.537 4.340 0.003 0.000 0.269 274 L C 0.309 177.222 176.870 0.072 0.000 1.133 274 L CA -0.496 54.278 54.840 -0.111 0.000 0.812 274 L CB 0.721 42.657 42.059 -0.205 0.000 1.125 274 L HN -0.052 nan 8.230 nan 0.000 0.452 275 T N 3.817 118.453 114.554 0.137 0.000 2.779 275 T HA 0.189 4.541 4.350 0.003 0.000 0.296 275 T C -2.284 172.571 174.700 0.259 0.000 0.938 275 T CA -0.928 61.298 62.100 0.210 0.000 1.119 275 T CB 0.530 69.563 68.868 0.275 0.000 0.891 275 T HN 0.358 nan 8.240 nan 0.000 0.526 276 P HA 0.217 nan 4.420 nan 0.000 0.271 276 P C -0.317 177.036 177.300 0.089 0.000 1.220 276 P CA -0.424 62.725 63.100 0.082 0.000 0.768 276 P CB 0.340 32.090 31.700 0.084 0.000 0.848 277 c N 3.465 122.013 118.600 -0.085 0.000 2.403 277 c HA 0.497 5.069 4.570 0.003 0.000 0.361 277 c C -0.008 174.052 174.090 -0.050 0.000 1.274 277 c CA 0.069 56.402 56.329 0.006 0.000 2.433 277 c CB -0.407 42.056 42.510 -0.078 0.000 2.323 277 c HN 0.505 nan 8.230 nan 0.000 0.614 278 Y N -0.279 119.987 120.300 -0.056 0.000 2.421 278 Y HA 0.279 4.830 4.550 0.003 0.000 0.339 278 Y C 1.193 177.071 175.900 -0.038 0.000 0.996 278 Y CA -0.352 57.723 58.100 -0.043 0.000 1.046 278 Y CB 1.840 40.290 38.460 -0.017 0.000 1.226 278 Y HN 0.761 nan 8.280 nan 0.000 0.445 279 S N 0.079 115.814 115.700 0.058 0.000 2.428 279 S HA 0.201 4.673 4.470 0.003 0.000 0.230 279 S C 1.293 175.939 174.600 0.078 0.000 1.014 279 S CA 1.223 59.446 58.200 0.037 0.000 0.957 279 S CB 0.186 63.381 63.200 -0.008 0.000 0.784 279 S HN 1.082 nan 8.310 nan 0.000 0.499 280 G N -0.417 108.470 108.800 0.145 0.000 4.081 280 G HA2 0.091 4.053 3.960 0.003 0.000 0.192 280 G HA3 0.091 4.053 3.960 0.003 0.000 0.192 280 G C 0.919 175.912 174.900 0.155 0.000 0.917 280 G CA 0.628 45.799 45.100 0.117 0.000 0.915 280 G HN 0.507 nan 8.290 nan 0.000 0.330 281 S N -0.456 115.370 115.700 0.210 0.000 2.882 281 S HA 0.494 4.966 4.470 0.003 0.000 0.258 281 S C 0.698 175.504 174.600 0.343 0.000 1.081 281 S CA 1.788 60.112 58.200 0.206 0.000 0.886 281 S CB 0.231 63.492 63.200 0.101 0.000 0.855 281 S HN 1.149 nan 8.310 nan 0.000 0.467 282 E N 2.566 122.884 120.200 0.197 0.000 2.212 282 E HA 0.736 5.088 4.350 0.003 0.000 0.270 282 E C -2.985 173.391 176.600 -0.374 0.000 0.956 282 E CA -2.497 53.915 56.400 0.020 0.000 0.825 282 E CB -0.020 29.666 29.700 -0.024 0.000 1.167 282 E HN 0.387 nan 8.360 nan 0.000 0.400 283 P HA 0.049 nan 4.420 nan 0.000 0.272 283 P C 0.025 177.035 177.300 -0.484 0.000 1.239 283 P CA 0.203 62.764 63.100 -0.898 0.000 0.807 283 P CB 0.576 31.935 31.700 -0.568 0.000 0.951 284 S N -1.988 113.455 115.700 -0.429 0.000 2.960 284 S HA 0.360 4.831 4.470 0.003 0.000 0.256 284 S C 1.194 175.625 174.600 -0.282 0.000 1.017 284 S CA 0.192 58.222 58.200 -0.283 0.000 1.144 284 S CB 0.453 63.523 63.200 -0.217 0.000 1.109 284 S HN 0.837 nan 8.310 nan 0.000 0.638 285 G N 2.549 111.128 108.800 -0.368 0.000 2.990 285 G HA2 -0.371 3.591 3.960 0.003 0.000 0.225 285 G HA3 -0.371 3.591 3.960 0.003 0.000 0.225 285 G C 0.510 175.060 174.900 -0.583 0.000 1.304 285 G CA 0.524 45.394 45.100 -0.385 0.000 0.816 285 G HN 0.942 nan 8.290 nan 0.000 0.528 286 T N 0.343 114.654 114.554 -0.404 0.000 2.946 286 T HA 0.473 4.825 4.350 0.003 0.000 0.311 286 T C -0.057 174.353 174.700 -0.483 0.000 1.063 286 T CA 0.219 62.124 62.100 -0.324 0.000 1.139 286 T CB 0.858 69.622 68.868 -0.173 0.000 0.994 286 T HN 0.508 nan 8.240 nan 0.000 0.547 287 F N 1.091 120.995 119.950 -0.076 0.000 2.458 287 F HA 0.629 5.157 4.527 0.003 0.000 0.336 287 F C 1.111 176.849 175.800 -0.104 0.000 1.114 287 F CA -0.769 57.185 58.000 -0.076 0.000 0.987 287 F CB 1.596 40.551 39.000 -0.076 0.000 1.130 287 F HN 0.944 nan 8.300 nan 0.000 0.458 288 G N 2.175 111.008 108.800 0.056 0.000 2.666 288 G HA2 0.482 4.443 3.960 0.003 0.000 0.207 288 G HA3 0.482 4.443 3.960 0.003 0.000 0.207 288 G C -2.520 172.296 174.900 -0.140 0.000 1.481 288 G CA -1.156 43.891 45.100 -0.088 0.000 1.071 288 G HN 0.340 nan 8.290 nan 0.000 0.572 289 P HA 0.193 nan 4.420 nan 0.000 0.285 289 P C -0.098 177.095 177.300 -0.179 0.000 1.282 289 P CA -0.595 62.294 63.100 -0.352 0.000 0.778 289 P CB 0.231 31.521 31.700 -0.683 0.000 1.222 290 V N 1.216 121.001 119.914 -0.214 0.000 2.585 290 V HA 0.003 4.124 4.120 0.003 0.000 0.296 290 V C 0.881 176.994 176.094 0.032 0.000 1.035 290 V CA 0.148 62.341 62.300 -0.179 0.000 1.084 290 V CB -0.464 31.149 31.823 -0.349 0.000 0.953 290 V HN 0.465 nan 8.190 nan 0.000 0.483 291 N N 7.605 126.309 118.700 0.006 0.000 2.399 291 N HA 0.194 4.936 4.740 0.003 0.000 0.259 291 N C -2.038 173.411 175.510 -0.102 0.000 1.160 291 N CA -1.818 51.252 53.050 0.035 0.000 0.946 291 N CB 1.259 39.757 38.487 0.018 0.000 1.156 291 N HN 0.363 nan 8.380 nan 0.000 0.489 292 P HA 0.168 nan 4.420 nan 0.000 0.241 292 P C -0.125 177.090 177.300 -0.141 0.000 1.783 292 P CA -0.021 63.036 63.100 -0.072 0.000 1.052 292 P CB -0.288 31.400 31.700 -0.020 0.000 1.594 293 S N -1.138 114.366 115.700 -0.327 0.000 2.629 293 S HA 0.275 4.747 4.470 0.003 0.000 0.236 293 S C 0.271 174.624 174.600 -0.412 0.000 1.010 293 S CA -0.339 57.401 58.200 -0.767 0.000 0.981 293 S CB -0.353 62.509 63.200 -0.563 0.000 0.919 293 S HN 0.024 nan 8.310 nan 0.000 0.514 294 L N 1.158 122.317 121.223 -0.106 0.000 2.354 294 L HA 0.559 4.901 4.340 0.003 0.000 0.264 294 L C 1.255 178.228 176.870 0.171 0.000 1.008 294 L CA -0.930 53.919 54.840 0.015 0.000 0.819 294 L CB 1.153 43.212 42.059 -0.000 0.000 1.339 294 L HN 0.019 nan 8.230 nan 0.000 0.420 295 N N 1.602 120.399 118.700 0.162 0.000 2.135 295 N HA -0.193 4.549 4.740 0.003 0.000 0.186 295 N C 1.288 176.933 175.510 0.226 0.000 1.027 295 N CA 1.539 54.721 53.050 0.220 0.000 0.849 295 N CB 0.025 38.604 38.487 0.153 0.000 1.002 295 N HN 0.862 nan 8.380 nan 0.000 0.425 296 N N 0.629 119.416 118.700 0.145 0.000 2.192 296 N HA -0.145 4.597 4.740 0.003 0.000 0.188 296 N C 1.050 176.638 175.510 0.130 0.000 1.013 296 N CA 1.611 54.738 53.050 0.128 0.000 0.863 296 N CB -0.410 38.118 38.487 0.069 0.000 0.990 296 N HN 0.153 nan 8.380 nan 0.000 0.430 297 T N 0.137 114.732 114.554 0.067 0.000 2.635 297 T HA -0.152 4.200 4.350 0.003 0.000 0.267 297 T C 1.301 176.018 174.700 0.028 0.000 1.040 297 T CA 1.685 63.762 62.100 -0.038 0.000 1.156 297 T CB -0.513 68.197 68.868 -0.263 0.000 0.863 297 T HN 0.391 nan 8.240 nan 0.000 0.430 298 Y N 0.642 121.050 120.300 0.180 0.000 2.544 298 Y HA 0.157 4.708 4.550 0.003 0.000 0.286 298 Y C 2.375 178.376 175.900 0.169 0.000 1.141 298 Y CA 0.297 58.491 58.100 0.157 0.000 1.299 298 Y CB -0.015 38.502 38.460 0.096 0.000 1.030 298 Y HN 0.134 nan 8.280 nan 0.000 0.543 299 E N -0.767 119.623 120.200 0.316 0.000 2.318 299 E HA -0.035 4.316 4.350 0.003 0.000 0.193 299 E C 1.566 178.357 176.600 0.319 0.000 0.998 299 E CA 0.224 56.791 56.400 0.279 0.000 0.859 299 E CB -0.277 29.568 29.700 0.242 0.000 0.812 299 E HN 0.427 nan 8.360 nan 0.000 0.492 300 F N 0.291 120.323 119.950 0.137 0.000 2.118 300 F HA -0.115 4.413 4.527 0.003 0.000 0.293 300 F C 1.808 177.687 175.800 0.131 0.000 1.102 300 F CA 1.123 59.131 58.000 0.014 0.000 1.247 300 F CB -0.112 38.758 39.000 -0.217 0.000 1.017 300 F HN -0.055 nan 8.300 nan 0.000 0.475 301 M N 0.361 120.049 119.600 0.147 0.000 2.106 301 M HA -0.215 4.266 4.480 0.003 0.000 0.259 301 M C 2.603 179.097 176.300 0.323 0.000 1.068 301 M CA 1.825 57.286 55.300 0.267 0.000 1.100 301 M CB -1.828 30.960 32.600 0.314 0.000 1.351 301 M HN 0.440 nan 8.290 nan 0.000 0.404 302 S N 0.003 115.859 115.700 0.260 0.000 2.354 302 S HA -0.151 4.320 4.470 0.003 0.000 0.219 302 S C 1.903 176.676 174.600 0.288 0.000 1.035 302 S CA 2.370 60.743 58.200 0.289 0.000 1.037 302 S CB -0.362 62.986 63.200 0.246 0.000 0.956 302 S HN 0.545 nan 8.310 nan 0.000 0.428 303 T N 1.191 115.888 114.554 0.238 0.000 2.857 303 T HA 0.030 4.382 4.350 0.003 0.000 0.266 303 T C 1.401 176.187 174.700 0.144 0.000 1.048 303 T CA 1.279 63.494 62.100 0.192 0.000 1.139 303 T CB -0.530 68.491 68.868 0.256 0.000 0.874 303 T HN 0.506 nan 8.240 nan 0.000 0.455 304 F N 1.450 121.391 119.950 -0.014 0.000 2.060 304 F HA 0.060 4.588 4.527 0.003 0.000 0.295 304 F C 1.629 177.257 175.800 -0.287 0.000 1.120 304 F CA 0.831 58.685 58.000 -0.244 0.000 1.205 304 F CB -0.624 37.896 39.000 -0.800 0.000 0.986 304 F HN 0.056 nan 8.300 nan 0.000 0.470 305 F N 0.303 120.093 119.950 -0.267 0.000 2.494 305 F HA -0.126 4.403 4.527 0.003 0.000 0.298 305 F C 2.114 177.776 175.800 -0.229 0.000 1.106 305 F CA 0.921 58.752 58.000 -0.282 0.000 1.452 305 F CB -0.676 38.352 39.000 0.047 0.000 1.085 305 F HN 0.101 nan 8.300 nan 0.000 0.569 306 L N 0.050 121.154 121.223 -0.198 0.000 2.027 306 L HA -0.196 4.145 4.340 0.003 0.000 0.206 306 L C 2.494 179.113 176.870 -0.419 0.000 1.074 306 L CA 1.687 56.170 54.840 -0.595 0.000 0.745 306 L CB -0.469 41.253 42.059 -0.562 0.000 0.898 306 L HN 0.157 nan 8.230 nan 0.000 0.433 307 E N -0.749 119.187 120.200 -0.440 0.000 2.077 307 E HA -0.218 4.134 4.350 0.003 0.000 0.193 307 E C 2.065 178.447 176.600 -0.365 0.000 0.989 307 E CA 1.848 57.989 56.400 -0.432 0.000 0.800 307 E CB -0.022 29.300 29.700 -0.631 0.000 0.746 307 E HN 0.410 nan 8.360 nan 0.000 0.452 308 V N 1.331 120.899 119.914 -0.577 0.000 2.255 308 V HA -0.306 3.816 4.120 0.003 0.000 0.247 308 V C 2.600 178.702 176.094 0.012 0.000 1.051 308 V CA 2.156 64.234 62.300 -0.369 0.000 1.018 308 V CB -0.829 30.534 31.823 -0.767 0.000 0.641 308 V HN 0.479 nan 8.190 nan 0.000 0.445 309 S N -0.725 114.956 115.700 -0.032 0.000 2.474 309 S HA -0.140 4.331 4.470 0.003 0.000 0.235 309 S C 1.934 176.535 174.600 0.000 0.000 0.997 309 S CA 1.476 59.703 58.200 0.045 0.000 0.949 309 S CB -0.293 62.959 63.200 0.087 0.000 0.766 309 S HN 0.505 nan 8.310 nan 0.000 0.517 310 S N 1.163 116.821 115.700 -0.071 0.000 2.362 310 S HA 0.074 4.545 4.470 0.003 0.000 0.221 310 S C 1.924 176.514 174.600 -0.018 0.000 1.032 310 S CA 1.040 59.213 58.200 -0.045 0.000 0.973 310 S CB -0.384 62.786 63.200 -0.049 0.000 0.849 310 S HN 0.434 nan 8.310 nan 0.000 0.465 311 V N 0.730 120.612 119.914 -0.054 0.000 2.407 311 V HA 0.043 4.164 4.120 0.003 0.000 0.245 311 V C 0.291 176.223 176.094 -0.269 0.000 1.041 311 V CA 1.063 63.254 62.300 -0.182 0.000 1.040 311 V CB -0.527 31.111 31.823 -0.309 0.000 0.671 311 V HN 0.354 nan 8.190 nan 0.000 0.455 312 F N 2.048 122.006 119.950 0.013 0.000 2.375 312 F HA 0.340 4.869 4.527 0.003 0.000 0.362 312 F C -1.112 174.715 175.800 0.046 0.000 1.129 312 F CA -2.192 55.830 58.000 0.037 0.000 1.154 312 F CB 0.600 39.615 39.000 0.024 0.000 1.205 312 F HN 0.074 nan 8.300 nan 0.000 0.513 313 P HA -0.090 nan 4.420 nan 0.000 0.237 313 P C 0.007 177.403 177.300 0.161 0.000 1.178 313 P CA 0.461 63.647 63.100 0.142 0.000 0.766 313 P CB 0.106 31.873 31.700 0.112 0.000 0.876 314 D N -0.884 119.631 120.400 0.191 0.000 2.372 314 D HA 0.020 4.661 4.640 0.003 0.000 0.243 314 D C 0.912 177.320 176.300 0.180 0.000 1.121 314 D CA -0.385 53.729 54.000 0.190 0.000 0.898 314 D CB 0.398 41.309 40.800 0.186 0.000 1.202 314 D HN -0.122 nan 8.370 nan 0.000 0.428 315 F N 2.411 122.383 119.950 0.037 0.000 2.216 315 F HA -0.012 4.517 4.527 0.003 0.000 0.300 315 F C -0.114 175.547 175.800 -0.232 0.000 1.085 315 F CA 0.947 58.876 58.000 -0.119 0.000 1.326 315 F CB 0.082 38.949 39.000 -0.222 0.000 1.027 315 F HN 0.362 nan 8.300 nan 0.000 0.497 316 Y N 1.269 121.557 120.300 -0.020 0.000 2.323 316 Y HA 0.503 5.055 4.550 0.003 0.000 0.331 316 Y C -0.357 175.486 175.900 -0.095 0.000 1.092 316 Y CA -0.808 57.217 58.100 -0.126 0.000 1.150 316 Y CB 1.070 39.532 38.460 0.004 0.000 1.200 316 Y HN -0.249 nan 8.280 nan 0.000 0.472 317 L N 3.745 124.992 121.223 0.041 0.000 2.346 317 L HA 0.340 4.682 4.340 0.003 0.000 0.276 317 L C -0.460 176.439 176.870 0.049 0.000 1.006 317 L CA -0.928 53.936 54.840 0.039 0.000 0.817 317 L CB 1.430 43.537 42.059 0.080 0.000 1.272 317 L HN 0.605 nan 8.230 nan 0.000 0.421 318 H N 4.312 123.323 119.070 -0.098 0.000 2.690 318 H HA 0.249 4.807 4.556 0.003 0.000 0.314 318 H C 0.118 175.450 175.328 0.006 0.000 1.069 318 H CA 0.162 56.130 56.048 -0.134 0.000 1.436 318 H CB 1.481 31.035 29.762 -0.347 0.000 1.462 318 H HN 0.558 nan 8.280 nan 0.000 0.511 319 L N 4.208 125.512 121.223 0.134 0.000 2.693 319 L HA 0.178 4.520 4.340 0.003 0.000 0.235 319 L C 1.663 178.728 176.870 0.324 0.000 1.127 319 L CA 0.428 55.386 54.840 0.197 0.000 0.914 319 L CB 0.250 42.289 42.059 -0.033 0.000 1.193 319 L HN 0.959 nan 8.230 nan 0.000 0.502 320 G N 1.030 110.149 108.800 0.530 0.000 2.609 320 G HA2 -0.264 3.698 3.960 0.003 0.000 0.288 320 G HA3 -0.264 3.698 3.960 0.003 0.000 0.288 320 G C 0.838 176.121 174.900 0.637 0.000 1.211 320 G CA 0.019 45.536 45.100 0.696 0.000 0.963 320 G HN 0.787 nan 8.290 nan 0.000 0.541 321 G N 0.081 109.155 108.800 0.456 0.000 2.147 321 G HA2 0.080 4.041 3.960 0.003 0.000 0.244 321 G HA3 0.080 4.041 3.960 0.003 0.000 0.244 321 G C 0.090 175.207 174.900 0.361 0.000 1.005 321 G CA 1.428 46.743 45.100 0.359 0.000 0.713 321 G HN 2.123 nan 8.290 nan 0.000 0.515 322 D N -0.120 120.483 120.400 0.338 0.000 2.217 322 D HA 0.441 5.082 4.640 0.003 0.000 0.248 322 D C 0.524 176.883 176.300 0.100 0.000 1.008 322 D CA -0.354 53.758 54.000 0.187 0.000 0.914 322 D CB 0.607 41.234 40.800 -0.289 0.000 1.182 322 D HN 0.444 nan 8.370 nan 0.000 0.451 323 E N -0.562 119.695 120.200 0.096 0.000 2.228 323 E HA -0.136 4.216 4.350 0.003 0.000 0.213 323 E C -0.691 175.797 176.600 -0.188 0.000 1.282 323 E CA 0.103 56.491 56.400 -0.020 0.000 0.707 323 E CB -1.160 28.529 29.700 -0.019 0.000 1.150 323 E HN 0.287 nan 8.360 nan 0.000 0.362 324 V N 1.555 121.322 119.914 -0.244 0.000 2.389 324 V HA 0.101 4.223 4.120 0.003 0.000 0.264 324 V C 0.401 176.030 176.094 -0.775 0.000 1.049 324 V CA -0.321 61.713 62.300 -0.444 0.000 0.932 324 V CB 1.293 32.929 31.823 -0.312 0.000 1.011 324 V HN 0.219 nan 8.190 nan 0.000 0.475 325 D N 3.721 123.703 120.400 -0.697 0.000 2.277 325 D HA 0.287 4.928 4.640 0.003 0.000 0.249 325 D C 0.275 176.165 176.300 -0.683 0.000 1.134 325 D CA -0.279 53.331 54.000 -0.649 0.000 0.863 325 D CB 0.963 41.502 40.800 -0.435 0.000 1.143 325 D HN 0.331 nan 8.370 nan 0.000 0.458 326 F N 1.659 121.422 119.950 -0.311 0.000 2.765 326 F HA 0.094 4.623 4.527 0.003 0.000 0.302 326 F C 2.295 177.896 175.800 -0.332 0.000 1.111 326 F CA -0.110 57.710 58.000 -0.301 0.000 1.359 326 F CB -0.671 38.223 39.000 -0.177 0.000 1.097 326 F HN 0.317 nan 8.300 nan 0.000 0.577 327 T N -0.640 113.838 114.554 -0.126 0.000 2.595 327 T HA -0.290 4.062 4.350 0.003 0.000 0.264 327 T C 2.287 176.938 174.700 -0.081 0.000 1.058 327 T CA 2.032 64.070 62.100 -0.103 0.000 1.166 327 T CB -0.905 67.899 68.868 -0.106 0.000 0.863 327 T HN 0.517 nan 8.240 nan 0.000 0.415 328 c N 0.153 118.696 118.600 -0.096 0.000 2.425 328 c HA -0.066 4.506 4.570 0.003 0.000 0.277 328 c C 2.463 176.613 174.090 0.100 0.000 1.280 328 c CA 0.171 56.488 56.329 -0.020 0.000 1.744 328 c CB -1.745 40.728 42.510 -0.062 0.000 1.989 328 c HN 0.643 nan 8.230 nan 0.000 0.491 329 W N 1.230 122.458 121.300 -0.120 0.000 2.338 329 W HA -0.065 4.597 4.660 0.003 0.000 0.304 329 W C 2.647 179.049 176.519 -0.195 0.000 1.212 329 W CA 1.645 58.907 57.345 -0.138 0.000 1.264 329 W CB -0.998 28.366 29.460 -0.160 0.000 1.142 329 W HN 0.420 nan 8.180 nan 0.000 0.512 330 K N 0.415 120.731 120.400 -0.141 0.000 2.076 330 K HA -0.129 4.193 4.320 0.003 0.000 0.204 330 K C 2.278 178.899 176.600 0.035 0.000 1.051 330 K CA 1.757 57.980 56.287 -0.107 0.000 0.949 330 K CB -0.236 32.144 32.500 -0.200 0.000 0.726 330 K HN 0.042 nan 8.250 nan 0.000 0.443 331 S N 0.978 116.697 115.700 0.031 0.000 2.399 331 S HA -0.151 4.320 4.470 0.003 0.000 0.231 331 S C 0.996 175.600 174.600 0.007 0.000 1.022 331 S CA 0.589 58.823 58.200 0.057 0.000 0.983 331 S CB -0.595 62.664 63.200 0.098 0.000 0.803 331 S HN 0.266 nan 8.310 nan 0.000 0.480 332 N N 3.586 122.305 118.700 0.032 0.000 2.427 332 N HA 0.144 4.886 4.740 0.003 0.000 0.269 332 N C -2.143 173.253 175.510 -0.189 0.000 1.235 332 N CA -1.641 51.346 53.050 -0.105 0.000 0.934 332 N CB 1.265 39.805 38.487 0.089 0.000 1.121 332 N HN 0.105 nan 8.380 nan 0.000 0.480 333 P HA -0.036 nan 4.420 nan 0.000 0.224 333 P C 1.027 178.249 177.300 -0.130 0.000 1.157 333 P CA 0.472 63.426 63.100 -0.244 0.000 0.799 333 P CB 0.434 31.933 31.700 -0.336 0.000 0.809 334 E N 0.458 120.578 120.200 -0.134 0.000 2.051 334 E HA -0.142 4.210 4.350 0.003 0.000 0.192 334 E C 1.912 178.528 176.600 0.026 0.000 0.991 334 E CA 1.151 57.534 56.400 -0.027 0.000 0.799 334 E CB -0.500 29.200 29.700 -0.001 0.000 0.748 334 E HN 0.194 nan 8.360 nan 0.000 0.449 335 I N 1.100 121.683 120.570 0.022 0.000 2.286 335 I HA -0.270 3.902 4.170 0.003 0.000 0.248 335 I C 2.733 178.928 176.117 0.129 0.000 1.115 335 I CA 0.798 62.135 61.300 0.061 0.000 1.392 335 I CB -0.292 37.719 38.000 0.017 0.000 1.065 335 I HN 0.134 nan 8.210 nan 0.000 0.418 336 Q N 0.361 120.219 119.800 0.097 0.000 2.152 336 Q HA -0.300 4.041 4.340 0.003 0.000 0.206 336 Q C 1.832 177.875 176.000 0.071 0.000 0.985 336 Q CA 1.955 57.819 55.803 0.102 0.000 0.863 336 Q CB -0.490 28.282 28.738 0.055 0.000 0.904 336 Q HN 0.598 nan 8.270 nan 0.000 0.422 337 D N -0.520 119.918 120.400 0.064 0.000 2.097 337 D HA -0.149 4.493 4.640 0.003 0.000 0.197 337 D C 1.797 178.139 176.300 0.070 0.000 0.984 337 D CA 0.582 54.611 54.000 0.049 0.000 0.826 337 D CB -0.118 40.709 40.800 0.045 0.000 0.973 337 D HN 0.159 nan 8.370 nan 0.000 0.460 338 F N 1.329 121.264 119.950 -0.024 0.000 2.154 338 F HA -0.168 4.361 4.527 0.003 0.000 0.301 338 F C 2.450 178.230 175.800 -0.033 0.000 1.087 338 F CA 1.238 59.220 58.000 -0.030 0.000 1.274 338 F CB -0.236 38.756 39.000 -0.013 0.000 1.009 338 F HN -0.078 nan 8.300 nan 0.000 0.485 339 M N -0.320 119.327 119.600 0.079 0.000 2.279 339 M HA -0.187 4.295 4.480 0.003 0.000 0.264 339 M C 2.097 178.328 176.300 -0.116 0.000 1.062 339 M CA 1.470 56.775 55.300 0.008 0.000 1.099 339 M CB -0.549 32.048 32.600 -0.005 0.000 1.394 339 M HN 0.206 nan 8.290 nan 0.000 0.426 340 R N -0.105 120.320 120.500 -0.125 0.000 2.093 340 R HA -0.032 4.310 4.340 0.003 0.000 0.224 340 R C 2.162 178.330 176.300 -0.221 0.000 1.101 340 R CA 0.605 56.617 56.100 -0.146 0.000 0.979 340 R CB -0.143 30.101 30.300 -0.093 0.000 0.877 340 R HN 0.279 nan 8.270 nan 0.000 0.441 341 K N 0.998 121.229 120.400 -0.282 0.000 2.057 341 K HA -0.091 4.230 4.320 0.003 0.000 0.207 341 K C 1.569 177.889 176.600 -0.466 0.000 1.049 341 K CA 1.092 57.169 56.287 -0.350 0.000 0.931 341 K CB 0.019 32.279 32.500 -0.399 0.000 0.714 341 K HN 0.036 nan 8.250 nan 0.000 0.440 342 K N -0.198 119.823 120.400 -0.632 0.000 2.444 342 K HA 0.070 4.392 4.320 0.003 0.000 0.193 342 K C 0.885 177.020 176.600 -0.775 0.000 1.024 342 K CA 0.516 56.320 56.287 -0.806 0.000 1.077 342 K CB -0.043 31.810 32.500 -1.079 0.000 0.833 342 K HN 0.379 nan 8.250 nan 0.000 0.517 343 G N 1.801 110.310 108.800 -0.484 0.000 2.258 343 G HA2 -0.297 3.665 3.960 0.003 0.000 0.274 343 G HA3 -0.297 3.665 3.960 0.003 0.000 0.274 343 G C 0.615 175.321 174.900 -0.324 0.000 1.021 343 G CA 0.339 45.228 45.100 -0.352 0.000 0.798 343 G HN 0.193 nan 8.290 nan 0.000 0.507 344 F N 0.285 120.095 119.950 -0.233 0.000 2.039 344 F HA 0.330 4.859 4.527 0.003 0.000 0.294 344 F C 2.476 178.139 175.800 -0.229 0.000 1.130 344 F CA 2.571 60.435 58.000 -0.227 0.000 1.189 344 F CB -0.630 38.217 39.000 -0.254 0.000 0.983 344 F HN 0.870 nan 8.300 nan 0.000 0.471 345 G N -1.092 107.673 108.800 -0.058 0.000 2.344 345 G HA2 -0.156 3.806 3.960 0.003 0.000 0.215 345 G HA3 -0.156 3.806 3.960 0.003 0.000 0.215 345 G C 0.442 175.202 174.900 -0.234 0.000 1.293 345 G CA 0.090 45.113 45.100 -0.128 0.000 1.305 345 G HN 0.099 nan 8.290 nan 0.000 0.484 346 E N 1.890 121.928 120.200 -0.270 0.000 2.789 346 E HA 0.199 4.550 4.350 0.003 0.000 0.217 346 E C -0.851 175.514 176.600 -0.392 0.000 0.970 346 E CA 0.454 56.654 56.400 -0.334 0.000 1.201 346 E CB 1.081 30.714 29.700 -0.111 0.000 1.069 346 E HN 0.687 nan 8.360 nan 0.000 0.499 347 D N -0.169 119.973 120.400 -0.430 0.000 2.453 347 D HA 0.137 4.778 4.640 0.003 0.000 0.238 347 D C 0.262 176.258 176.300 -0.507 0.000 1.088 347 D CA -0.726 53.085 54.000 -0.316 0.000 0.854 347 D CB 0.097 40.813 40.800 -0.140 0.000 1.076 347 D HN -0.170 nan 8.370 nan 0.000 0.533 348 F N 1.089 120.768 119.950 -0.452 0.000 2.811 348 F HA 0.154 4.682 4.527 0.003 0.000 0.301 348 F C 2.163 177.457 175.800 -0.843 0.000 1.151 348 F CA -0.116 57.459 58.000 -0.709 0.000 1.412 348 F CB 0.073 38.580 39.000 -0.822 0.000 1.113 348 F HN 0.138 nan 8.300 nan 0.000 0.579 349 K N 0.663 120.813 120.400 -0.417 0.000 2.211 349 K HA -0.180 4.141 4.320 0.003 0.000 0.203 349 K C 1.888 178.441 176.600 -0.078 0.000 1.050 349 K CA 1.424 57.658 56.287 -0.088 0.000 0.945 349 K CB -0.149 32.379 32.500 0.047 0.000 0.732 349 K HN 0.478 nan 8.250 nan 0.000 0.451 350 Q N -0.017 119.647 119.800 -0.227 0.000 2.392 350 Q HA 0.030 4.372 4.340 0.003 0.000 0.203 350 Q C 1.772 177.299 176.000 -0.789 0.000 0.917 350 Q CA 0.215 55.833 55.803 -0.310 0.000 0.939 350 Q CB 0.082 28.742 28.738 -0.131 0.000 1.063 350 Q HN 0.111 nan 8.270 nan 0.000 0.516 351 L N 1.483 122.261 121.223 -0.741 0.000 2.095 351 L HA -0.010 4.331 4.340 0.003 0.000 0.204 351 L C 2.273 179.055 176.870 -0.147 0.000 1.080 351 L CA 1.851 56.312 54.840 -0.633 0.000 0.759 351 L CB -0.293 41.478 42.059 -0.480 0.000 0.914 351 L HN 0.257 nan 8.230 nan 0.000 0.439 352 E N -1.292 118.965 120.200 0.095 0.000 2.153 352 E HA -0.216 4.135 4.350 0.003 0.000 0.194 352 E C 2.145 178.927 176.600 0.302 0.000 0.988 352 E CA 1.083 57.749 56.400 0.442 0.000 0.811 352 E CB 0.014 30.125 29.700 0.684 0.000 0.746 352 E HN 0.554 nan 8.360 nan 0.000 0.466 353 S N -0.144 115.644 115.700 0.146 0.000 2.348 353 S HA -0.187 4.284 4.470 0.003 0.000 0.221 353 S C 1.663 176.368 174.600 0.176 0.000 1.033 353 S CA 1.286 59.565 58.200 0.132 0.000 1.010 353 S CB -0.515 62.734 63.200 0.083 0.000 0.891 353 S HN 0.498 nan 8.310 nan 0.000 0.442 354 F N 1.324 121.311 119.950 0.061 0.000 2.161 354 F HA -0.136 4.393 4.527 0.003 0.000 0.300 354 F C 1.947 177.876 175.800 0.216 0.000 1.089 354 F CA 1.844 59.947 58.000 0.173 0.000 1.282 354 F CB -0.940 38.233 39.000 0.288 0.000 1.010 354 F HN 0.450 nan 8.300 nan 0.000 0.485 355 Y N 0.650 120.893 120.300 -0.096 0.000 2.133 355 Y HA -0.154 4.397 4.550 0.003 0.000 0.287 355 Y C 2.161 178.019 175.900 -0.070 0.000 1.134 355 Y CA 2.120 60.166 58.100 -0.090 0.000 1.133 355 Y CB -0.702 37.808 38.460 0.084 0.000 0.987 355 Y HN 0.132 nan 8.280 nan 0.000 0.502 356 I N 0.427 120.906 120.570 -0.152 0.000 2.142 356 I HA -0.367 3.804 4.170 0.003 0.000 0.240 356 I C 2.531 178.465 176.117 -0.305 0.000 1.078 356 I CA 1.731 62.870 61.300 -0.268 0.000 1.343 356 I CB -0.670 37.318 38.000 -0.020 0.000 1.046 356 I HN 0.308 nan 8.210 nan 0.000 0.405 357 Q N 0.272 119.968 119.800 -0.173 0.000 2.082 357 Q HA -0.268 4.074 4.340 0.003 0.000 0.211 357 Q C 2.238 178.103 176.000 -0.225 0.000 1.002 357 Q CA 2.829 58.544 55.803 -0.146 0.000 0.868 357 Q CB -0.518 28.203 28.738 -0.028 0.000 0.931 357 Q HN 0.578 nan 8.270 nan 0.000 0.414 358 T N 1.393 115.765 114.554 -0.303 0.000 2.652 358 T HA -0.191 4.161 4.350 0.003 0.000 0.267 358 T C 1.818 176.341 174.700 -0.294 0.000 1.039 358 T CA 1.331 63.249 62.100 -0.303 0.000 1.153 358 T CB -0.463 68.168 68.868 -0.395 0.000 0.863 358 T HN 0.149 nan 8.240 nan 0.000 0.428 359 L N 0.781 121.745 121.223 -0.432 0.000 2.012 359 L HA -0.020 4.321 4.340 0.003 0.000 0.210 359 L C 2.353 178.939 176.870 -0.473 0.000 1.073 359 L CA 1.528 56.072 54.840 -0.493 0.000 0.748 359 L CB -0.574 41.057 42.059 -0.713 0.000 0.891 359 L HN 0.247 nan 8.230 nan 0.000 0.431 360 L N -0.720 120.204 121.223 -0.498 0.000 2.127 360 L HA -0.250 4.092 4.340 0.003 0.000 0.211 360 L C 2.054 178.689 176.870 -0.392 0.000 1.089 360 L CA 1.266 55.729 54.840 -0.628 0.000 0.757 360 L CB -0.861 40.807 42.059 -0.652 0.000 0.899 360 L HN 0.341 nan 8.230 nan 0.000 0.434 361 D N 0.088 120.326 120.400 -0.270 0.000 2.183 361 D HA -0.097 4.545 4.640 0.003 0.000 0.203 361 D C 2.246 178.392 176.300 -0.257 0.000 0.969 361 D CA 1.038 54.924 54.000 -0.189 0.000 0.842 361 D CB -0.030 40.687 40.800 -0.138 0.000 0.957 361 D HN 0.312 nan 8.370 nan 0.000 0.484 362 I N 0.112 120.500 120.570 -0.304 0.000 2.252 362 I HA -0.193 3.978 4.170 0.003 0.000 0.245 362 I C 2.220 177.954 176.117 -0.640 0.000 1.102 362 I CA 0.579 61.643 61.300 -0.393 0.000 1.385 362 I CB -0.065 37.807 38.000 -0.213 0.000 1.064 362 I HN -0.098 nan 8.210 nan 0.000 0.414 363 V N -0.362 119.306 119.914 -0.409 0.000 2.302 363 V HA -0.234 3.887 4.120 0.003 0.000 0.243 363 V C 2.561 178.555 176.094 -0.167 0.000 1.036 363 V CA 2.027 64.182 62.300 -0.243 0.000 1.020 363 V CB -0.477 31.245 31.823 -0.168 0.000 0.657 363 V HN 0.431 nan 8.190 nan 0.000 0.453 364 S N 0.978 116.649 115.700 -0.049 0.000 2.402 364 S HA -0.215 4.257 4.470 0.003 0.000 0.233 364 S C 2.184 176.736 174.600 -0.079 0.000 1.030 364 S CA 2.090 60.311 58.200 0.035 0.000 1.003 364 S CB -0.438 62.864 63.200 0.171 0.000 0.813 364 S HN 0.813 nan 8.310 nan 0.000 0.477 365 S N -0.476 115.094 115.700 -0.217 0.000 2.474 365 S HA -0.018 4.454 4.470 0.003 0.000 0.235 365 S C 1.166 175.693 174.600 -0.121 0.000 0.997 365 S CA 0.496 58.570 58.200 -0.210 0.000 0.949 365 S CB -0.822 62.197 63.200 -0.302 0.000 0.766 365 S HN 0.801 nan 8.310 nan 0.000 0.517 366 Y N 1.583 121.887 120.300 0.006 0.000 2.493 366 Y HA 0.427 4.978 4.550 0.003 0.000 0.275 366 Y C 1.721 177.619 175.900 -0.003 0.000 1.183 366 Y CA -0.407 57.696 58.100 0.005 0.000 1.258 366 Y CB -0.135 38.327 38.460 0.003 0.000 1.108 366 Y HN 0.397 nan 8.280 nan 0.000 0.521 367 G N 0.873 109.726 108.800 0.089 0.000 2.176 367 G HA2 -0.241 3.720 3.960 0.003 0.000 0.252 367 G HA3 -0.241 3.720 3.960 0.003 0.000 0.252 367 G C -0.169 174.693 174.900 -0.064 0.000 1.024 367 G CA -0.269 44.874 45.100 0.072 0.000 0.755 367 G HN 0.140 nan 8.290 nan 0.000 0.507 368 K N 0.195 120.458 120.400 -0.228 0.000 2.164 368 K HA 0.660 4.981 4.320 0.003 0.000 0.258 368 K C 0.794 176.819 176.600 -0.959 0.000 0.951 368 K CA 0.033 55.961 56.287 -0.597 0.000 0.844 368 K CB 1.869 34.233 32.500 -0.226 0.000 1.099 368 K HN 0.317 nan 8.250 nan 0.000 0.435 369 G N 1.112 108.794 108.800 -1.863 0.000 2.502 369 G HA2 0.543 4.505 3.960 0.003 0.000 0.305 369 G HA3 0.543 4.505 3.960 0.003 0.000 0.305 369 G C -1.188 173.313 174.900 -0.665 0.000 1.190 369 G CA -0.446 43.762 45.100 -1.486 0.000 0.933 369 G HN 0.539 nan 8.290 nan 0.000 0.503 370 Y N -1.757 118.512 120.300 -0.051 0.000 2.441 370 Y HA 0.578 5.130 4.550 0.003 0.000 0.334 370 Y C -0.605 175.279 175.900 -0.027 0.000 1.061 370 Y CA -1.567 56.514 58.100 -0.032 0.000 1.032 370 Y CB 1.177 39.563 38.460 -0.125 0.000 1.266 370 Y HN 0.354 nan 8.280 nan 0.000 0.441 371 V N 3.828 123.716 119.914 -0.042 0.000 2.532 371 V HA 0.717 4.838 4.120 0.003 0.000 0.295 371 V C -0.448 175.199 176.094 -0.745 0.000 1.041 371 V CA -0.845 61.236 62.300 -0.364 0.000 0.926 371 V CB 1.470 33.008 31.823 -0.476 0.000 0.992 371 V HN 0.757 nan 8.190 nan 0.000 0.457 372 V N 3.082 122.642 119.914 -0.591 0.000 2.971 372 V HA 0.524 4.646 4.120 0.003 0.000 0.309 372 V C -1.315 174.674 176.094 -0.176 0.000 1.130 372 V CA -0.875 61.170 62.300 -0.425 0.000 0.964 372 V CB 2.404 34.159 31.823 -0.113 0.000 1.029 372 V HN 0.948 nan 8.190 nan 0.000 0.427 373 W N 2.826 124.272 121.300 0.244 0.000 2.137 373 W HA 0.224 4.885 4.660 0.003 0.000 0.344 373 W C 1.655 178.366 176.519 0.320 0.000 1.286 373 W CA 0.419 57.982 57.345 0.364 0.000 1.240 373 W CB 0.579 30.264 29.460 0.374 0.000 1.141 373 W HN 0.768 nan 8.180 nan 0.000 0.579 374 Q N 0.040 120.270 119.800 0.716 0.000 2.368 374 Q HA -0.242 4.099 4.340 0.003 0.000 0.210 374 Q C 1.069 177.282 176.000 0.356 0.000 0.982 374 Q CA 1.847 57.896 55.803 0.410 0.000 0.884 374 Q CB -0.119 28.785 28.738 0.276 0.000 0.933 374 Q HN 0.564 nan 8.270 nan 0.000 0.460 375 E N 0.732 121.177 120.200 0.407 0.000 2.150 375 E HA -0.108 4.244 4.350 0.003 0.000 0.193 375 E C 1.954 178.703 176.600 0.249 0.000 0.985 375 E CA 1.242 57.816 56.400 0.289 0.000 0.814 375 E CB -0.044 29.829 29.700 0.288 0.000 0.752 375 E HN 0.224 nan 8.360 nan 0.000 0.466 376 V N 0.641 120.715 119.914 0.267 0.000 2.295 376 V HA -0.252 3.870 4.120 0.003 0.000 0.246 376 V C 1.953 178.140 176.094 0.154 0.000 1.049 376 V CA 1.912 64.331 62.300 0.198 0.000 1.024 376 V CB -0.512 31.409 31.823 0.162 0.000 0.648 376 V HN 0.290 nan 8.190 nan 0.000 0.447 377 F N 1.628 121.586 119.950 0.012 0.000 2.102 377 F HA -0.188 4.341 4.527 0.003 0.000 0.298 377 F C 2.208 178.023 175.800 0.024 0.000 1.105 377 F CA 2.086 60.060 58.000 -0.043 0.000 1.239 377 F CB -0.311 38.632 39.000 -0.094 0.000 0.991 377 F HN 0.215 nan 8.300 nan 0.000 0.474 378 D N 0.327 120.751 120.400 0.040 0.000 2.097 378 D HA -0.188 4.454 4.640 0.003 0.000 0.195 378 D C 1.443 177.701 176.300 -0.070 0.000 0.989 378 D CA 1.325 55.293 54.000 -0.052 0.000 0.827 378 D CB -0.774 40.081 40.800 0.091 0.000 0.966 378 D HN 0.315 nan 8.370 nan 0.000 0.456 379 N N 1.152 119.869 118.700 0.028 0.000 2.501 379 N HA -0.049 4.693 4.740 0.003 0.000 0.195 379 N C -0.037 175.487 175.510 0.022 0.000 1.213 379 N CA 0.212 53.304 53.050 0.071 0.000 0.864 379 N CB 0.120 38.719 38.487 0.187 0.000 0.999 379 N HN 0.069 nan 8.380 nan 0.000 0.454 380 K N -1.379 118.976 120.400 -0.074 0.000 3.088 380 K HA -0.140 4.181 4.320 0.003 0.000 0.273 380 K C -0.473 176.125 176.600 -0.004 0.000 1.111 380 K CA 0.192 56.425 56.287 -0.091 0.000 0.803 380 K CB -2.641 29.816 32.500 -0.071 0.000 1.226 380 K HN 0.064 nan 8.250 nan 0.000 0.485 381 V N 1.140 121.072 119.914 0.031 0.000 2.694 381 V HA -0.068 4.054 4.120 0.003 0.000 0.306 381 V C 1.229 177.367 176.094 0.072 0.000 1.054 381 V CA 0.117 62.458 62.300 0.068 0.000 1.161 381 V CB 0.506 32.382 31.823 0.089 0.000 0.916 381 V HN 0.185 nan 8.190 nan 0.000 0.490 382 K N 4.822 125.276 120.400 0.090 0.000 2.402 382 K HA 0.326 4.648 4.320 0.003 0.000 0.285 382 K C -0.615 176.048 176.600 0.105 0.000 1.054 382 K CA 0.426 56.777 56.287 0.106 0.000 1.001 382 K CB 0.016 32.580 32.500 0.106 0.000 0.946 382 K HN 0.622 nan 8.250 nan 0.000 0.473 383 I N 3.305 123.970 120.570 0.159 0.000 2.533 383 I HA 0.185 4.357 4.170 0.003 0.000 0.290 383 I C -0.883 175.418 176.117 0.307 0.000 1.056 383 I CA -1.072 60.334 61.300 0.178 0.000 1.057 383 I CB 1.634 39.693 38.000 0.098 0.000 1.240 383 I HN 0.570 nan 8.210 nan 0.000 0.423 384 Q N 9.340 129.309 119.800 0.281 0.000 2.304 384 Q HA 0.064 4.406 4.340 0.003 0.000 0.315 384 Q C -1.803 174.459 176.000 0.437 0.000 1.075 384 Q CA -0.370 55.626 55.803 0.322 0.000 0.988 384 Q CB 0.825 29.798 28.738 0.391 0.000 1.146 384 Q HN 0.394 nan 8.270 nan 0.000 0.383 385 P HA -0.164 nan 4.420 nan 0.000 0.219 385 P C -0.271 177.124 177.300 0.159 0.000 1.146 385 P CA 1.280 64.436 63.100 0.093 0.000 0.808 385 P CB 0.299 31.980 31.700 -0.031 0.000 0.779 386 D N -0.372 120.147 120.400 0.197 0.000 2.324 386 D HA 0.033 4.674 4.640 0.003 0.000 0.235 386 D C 0.230 176.657 176.300 0.212 0.000 1.095 386 D CA 0.521 54.620 54.000 0.166 0.000 0.871 386 D CB 0.030 40.885 40.800 0.092 0.000 0.906 386 D HN 0.193 nan 8.370 nan 0.000 0.522 387 T N 0.962 115.738 114.554 0.371 0.000 2.904 387 T HA 0.340 4.692 4.350 0.003 0.000 0.290 387 T C 0.758 175.607 174.700 0.248 0.000 1.018 387 T CA -0.200 62.088 62.100 0.312 0.000 1.075 387 T CB 1.535 70.608 68.868 0.341 0.000 0.986 387 T HN -0.039 nan 8.240 nan 0.000 0.523 388 I N 3.036 123.664 120.570 0.098 0.000 2.355 388 I HA 0.337 4.509 4.170 0.003 0.000 0.288 388 I C -0.261 175.794 176.117 -0.104 0.000 0.999 388 I CA -1.000 60.294 61.300 -0.009 0.000 1.163 388 I CB 0.966 38.899 38.000 -0.111 0.000 1.316 388 I HN 0.302 nan 8.210 nan 0.000 0.454 389 I N 5.174 125.677 120.570 -0.113 0.000 2.519 389 I HA 0.186 4.357 4.170 0.003 0.000 0.287 389 I C 0.204 176.273 176.117 -0.081 0.000 1.047 389 I CA -0.028 61.199 61.300 -0.122 0.000 1.381 389 I CB 1.198 39.073 38.000 -0.209 0.000 1.417 389 I HN 0.721 nan 8.210 nan 0.000 0.540 390 Q N 5.037 124.841 119.800 0.007 0.000 2.357 390 Q HA 0.393 4.734 4.340 0.003 0.000 0.266 390 Q C -1.396 174.817 176.000 0.356 0.000 1.021 390 Q CA -0.544 55.325 55.803 0.109 0.000 0.784 390 Q CB 1.534 30.262 28.738 -0.016 0.000 1.243 390 Q HN 0.481 nan 8.270 nan 0.000 0.465 391 V N 6.579 126.631 119.914 0.229 0.000 2.479 391 V HA 0.045 4.167 4.120 0.003 0.000 0.281 391 V C 0.544 176.867 176.094 0.383 0.000 1.031 391 V CA 0.356 62.787 62.300 0.219 0.000 1.038 391 V CB -0.078 31.790 31.823 0.075 0.000 0.981 391 V HN 0.954 nan 8.190 nan 0.000 0.478 392 W N 4.828 126.291 121.300 0.271 0.000 2.977 392 W HA 0.307 4.968 4.660 0.003 0.000 0.236 392 W C 0.402 176.970 176.519 0.081 0.000 1.053 392 W CA -0.639 56.885 57.345 0.298 0.000 1.375 392 W CB 0.169 29.887 29.460 0.430 0.000 0.814 392 W HN 0.326 nan 8.180 nan 0.000 0.713 393 R N 2.230 122.212 120.500 -0.864 0.000 2.582 393 R HA 0.167 4.508 4.340 0.003 0.000 0.271 393 R C 0.984 177.063 176.300 -0.368 0.000 1.078 393 R CA 0.067 55.614 56.100 -0.921 0.000 1.127 393 R CB 1.606 31.295 30.300 -1.017 0.000 1.038 393 R HN 0.048 nan 8.270 nan 0.000 0.500 394 E N 1.000 121.032 120.200 -0.281 0.000 2.048 394 E HA -0.071 4.281 4.350 0.003 0.000 0.193 394 E C 0.597 177.194 176.600 -0.005 0.000 0.956 394 E CA 0.600 56.958 56.400 -0.071 0.000 0.846 394 E CB 0.229 29.876 29.700 -0.089 0.000 0.827 394 E HN 0.550 nan 8.360 nan 0.000 0.466 395 D N -0.045 120.315 120.400 -0.067 0.000 2.323 395 D HA 0.095 4.737 4.640 0.003 0.000 0.218 395 D C 0.357 176.614 176.300 -0.072 0.000 0.973 395 D CA 0.234 54.203 54.000 -0.050 0.000 0.890 395 D CB 0.710 41.485 40.800 -0.043 0.000 1.011 395 D HN 0.015 nan 8.370 nan 0.000 0.499 396 I N 1.987 122.491 120.570 -0.111 0.000 2.433 396 I HA 0.160 4.332 4.170 0.003 0.000 0.292 396 I C -1.855 174.178 176.117 -0.139 0.000 1.001 396 I CA -2.517 58.721 61.300 -0.102 0.000 1.119 396 I CB 2.421 40.369 38.000 -0.087 0.000 1.289 396 I HN -0.297 nan 8.210 nan 0.000 0.438 397 P HA -0.016 nan 4.420 nan 0.000 0.218 397 P C 0.237 177.518 177.300 -0.032 0.000 1.152 397 P CA 0.919 63.995 63.100 -0.040 0.000 0.826 397 P CB 0.646 32.340 31.700 -0.010 0.000 0.790 398 V N -0.026 119.868 119.914 -0.034 0.000 3.074 398 V HA 0.360 4.481 4.120 0.003 0.000 0.314 398 V C -0.617 175.449 176.094 -0.048 0.000 1.117 398 V CA -1.224 61.057 62.300 -0.032 0.000 1.014 398 V CB 1.887 33.702 31.823 -0.013 0.000 1.057 398 V HN 0.037 nan 8.190 nan 0.000 0.438 399 N N 2.356 121.020 118.700 -0.059 0.000 2.412 399 N HA -0.034 4.708 4.740 0.003 0.000 0.258 399 N C 0.776 176.213 175.510 -0.122 0.000 1.236 399 N CA 0.834 53.833 53.050 -0.086 0.000 0.882 399 N CB 0.383 38.797 38.487 -0.122 0.000 1.066 399 N HN 0.754 nan 8.380 nan 0.000 0.465 400 Y N 2.550 122.786 120.300 -0.106 0.000 2.241 400 Y HA -0.226 4.326 4.550 0.003 0.000 0.286 400 Y C 1.763 177.589 175.900 -0.124 0.000 1.166 400 Y CA 1.082 59.108 58.100 -0.123 0.000 1.203 400 Y CB -0.329 38.052 38.460 -0.131 0.000 0.977 400 Y HN 0.473 nan 8.280 nan 0.000 0.529 401 M N 0.810 119.995 119.600 -0.692 0.000 2.117 401 M HA -0.167 4.315 4.480 0.003 0.000 0.262 401 M C 2.122 178.263 176.300 -0.265 0.000 1.065 401 M CA 1.570 56.597 55.300 -0.455 0.000 1.114 401 M CB -0.811 31.519 32.600 -0.450 0.000 1.361 401 M HN 0.320 nan 8.290 nan 0.000 0.408 402 K N 0.014 120.292 120.400 -0.204 0.000 2.155 402 K HA -0.102 4.219 4.320 0.003 0.000 0.203 402 K C 1.817 178.332 176.600 -0.142 0.000 1.052 402 K CA 0.743 56.952 56.287 -0.131 0.000 0.948 402 K CB -0.024 32.432 32.500 -0.073 0.000 0.728 402 K HN 0.281 nan 8.250 nan 0.000 0.448 403 E N 0.969 121.092 120.200 -0.128 0.000 2.077 403 E HA -0.152 4.200 4.350 0.003 0.000 0.193 403 E C 2.144 178.616 176.600 -0.213 0.000 0.989 403 E CA 0.743 57.083 56.400 -0.100 0.000 0.800 403 E CB -0.117 29.554 29.700 -0.048 0.000 0.746 403 E HN 0.275 nan 8.360 nan 0.000 0.452 404 L N 0.698 121.733 121.223 -0.312 0.000 2.017 404 L HA -0.203 4.138 4.340 0.003 0.000 0.208 404 L C 2.683 179.127 176.870 -0.710 0.000 1.073 404 L CA 1.394 55.932 54.840 -0.503 0.000 0.745 404 L CB -0.389 41.296 42.059 -0.623 0.000 0.894 404 L HN 0.181 nan 8.230 nan 0.000 0.432 405 E N 0.365 120.087 120.200 -0.796 0.000 2.058 405 E HA -0.270 4.082 4.350 0.003 0.000 0.194 405 E C 2.311 178.828 176.600 -0.138 0.000 0.997 405 E CA 1.436 57.556 56.400 -0.466 0.000 0.801 405 E CB -0.040 29.574 29.700 -0.144 0.000 0.746 405 E HN 0.317 nan 8.360 nan 0.000 0.450 406 L N 0.112 121.284 121.223 -0.085 0.000 2.017 406 L HA -0.195 4.147 4.340 0.003 0.000 0.208 406 L C 2.498 179.388 176.870 0.033 0.000 1.073 406 L CA 1.022 55.909 54.840 0.079 0.000 0.745 406 L CB -0.411 41.780 42.059 0.220 0.000 0.894 406 L HN 0.078 nan 8.230 nan 0.000 0.432 407 V N -0.692 119.040 119.914 -0.304 0.000 2.358 407 V HA -0.278 3.843 4.120 0.003 0.000 0.246 407 V C 2.615 178.642 176.094 -0.111 0.000 1.047 407 V CA 2.168 64.138 62.300 -0.551 0.000 1.035 407 V CB -0.984 30.456 31.823 -0.637 0.000 0.658 407 V HN 0.732 nan 8.190 nan 0.000 0.452 408 T N -1.965 112.545 114.554 -0.073 0.000 2.812 408 T HA -0.210 4.142 4.350 0.003 0.000 0.264 408 T C 1.894 176.647 174.700 0.088 0.000 1.042 408 T CA 1.377 63.503 62.100 0.042 0.000 1.140 408 T CB -0.291 68.640 68.868 0.105 0.000 0.870 408 T HN 0.374 nan 8.240 nan 0.000 0.445 409 K N 1.452 121.911 120.400 0.099 0.000 2.209 409 K HA 0.143 4.464 4.320 0.003 0.000 0.204 409 K C 2.109 178.782 176.600 0.120 0.000 1.048 409 K CA 0.959 57.315 56.287 0.115 0.000 0.940 409 K CB -0.374 32.198 32.500 0.121 0.000 0.729 409 K HN 0.464 nan 8.250 nan 0.000 0.451 410 A N -0.279 122.646 122.820 0.175 0.000 2.278 410 A HA 0.233 4.555 4.320 0.003 0.000 0.212 410 A C 1.194 178.819 177.584 0.067 0.000 1.213 410 A CA 0.769 52.937 52.037 0.218 0.000 0.840 410 A CB -0.103 19.191 19.000 0.490 0.000 0.866 410 A HN 0.496 nan 8.150 nan 0.000 0.489 411 G N -1.773 107.033 108.800 0.010 0.000 2.213 411 G HA2 -0.241 3.721 3.960 0.003 0.000 0.236 411 G HA3 -0.241 3.721 3.960 0.003 0.000 0.236 411 G C 0.087 174.881 174.900 -0.176 0.000 0.991 411 G CA 0.038 45.061 45.100 -0.127 0.000 0.629 411 G HN 0.340 nan 8.290 nan 0.000 0.517 412 F N 1.601 121.567 119.950 0.028 0.000 2.380 412 F HA 0.638 5.167 4.527 0.003 0.000 0.325 412 F C 1.510 177.297 175.800 -0.022 0.000 1.136 412 F CA -0.511 57.492 58.000 0.005 0.000 1.171 412 F CB 0.605 39.590 39.000 -0.025 0.000 1.230 412 F HN -0.071 nan 8.300 nan 0.000 0.554 413 R N 1.028 121.657 120.500 0.214 0.000 2.490 413 R HA 0.712 5.054 4.340 0.003 0.000 0.278 413 R C -0.807 175.516 176.300 0.038 0.000 1.069 413 R CA -0.617 55.544 56.100 0.101 0.000 1.080 413 R CB 1.018 31.365 30.300 0.077 0.000 1.030 413 R HN 0.708 nan 8.270 nan 0.000 0.491 414 A N 2.830 125.648 122.820 -0.003 0.000 2.475 414 A HA 0.583 4.905 4.320 0.003 0.000 0.301 414 A C -1.404 176.137 177.584 -0.072 0.000 1.059 414 A CA -0.751 51.253 52.037 -0.055 0.000 0.710 414 A CB 1.313 20.268 19.000 -0.075 0.000 1.288 414 A HN 0.343 nan 8.150 nan 0.000 0.408 415 L N 1.366 122.533 121.223 -0.093 0.000 2.334 415 L HA 0.597 4.938 4.340 0.003 0.000 0.273 415 L C -0.654 176.214 176.870 -0.004 0.000 1.013 415 L CA -0.598 54.184 54.840 -0.096 0.000 0.816 415 L CB 1.246 43.202 42.059 -0.172 0.000 1.278 415 L HN 0.715 nan 8.230 nan 0.000 0.431 416 L N 1.426 122.659 121.223 0.017 0.000 2.280 416 L HA 0.480 4.822 4.340 0.003 0.000 0.287 416 L C 0.449 177.383 176.870 0.105 0.000 1.023 416 L CA 0.780 55.619 54.840 -0.001 0.000 0.819 416 L CB 1.449 43.417 42.059 -0.151 0.000 1.212 416 L HN 0.683 nan 8.230 nan 0.000 0.420 417 S N 2.404 118.200 115.700 0.161 0.000 2.684 417 S HA 0.233 4.704 4.470 0.003 0.000 0.268 417 S C 1.513 176.368 174.600 0.424 0.000 1.075 417 S CA 0.262 58.659 58.200 0.328 0.000 1.184 417 S CB 0.679 64.145 63.200 0.444 0.000 1.129 417 S HN 0.750 nan 8.310 nan 0.000 0.630 418 A N 3.267 126.171 122.820 0.140 0.000 1.865 418 A HA -0.015 4.306 4.320 0.003 0.000 0.217 418 A C -0.367 177.069 177.584 -0.247 0.000 1.191 418 A CA 1.750 53.742 52.037 -0.075 0.000 0.623 418 A CB -1.609 17.153 19.000 -0.397 0.000 0.826 418 A HN 0.450 nan 8.150 nan 0.000 0.444 419 P HA 0.020 nan 4.420 nan 0.000 0.255 419 P C -0.524 176.870 177.300 0.157 0.000 1.248 419 P CA 0.274 63.133 63.100 -0.402 0.000 0.807 419 P CB 0.039 31.303 31.700 -0.726 0.000 1.150 420 W N 0.426 121.935 121.300 0.349 0.000 1.864 420 W HA 0.329 4.990 4.660 0.002 0.000 0.296 420 W C -0.618 176.000 176.519 0.166 0.000 0.794 420 W CA -1.074 56.412 57.345 0.236 0.000 2.180 420 W CB -0.982 28.501 29.460 0.038 0.000 2.332 420 W HN -0.040 nan 8.180 nan 0.000 0.417 421 Y N 1.331 121.846 120.300 0.359 0.000 2.518 421 Y HA 0.131 4.683 4.550 0.003 0.000 0.344 421 Y C 1.444 177.470 175.900 0.210 0.000 0.982 421 Y CA -0.318 57.935 58.100 0.256 0.000 1.234 421 Y CB 0.914 39.544 38.460 0.283 0.000 1.114 421 Y HN -0.031 nan 8.280 nan 0.000 0.515 422 L N 2.298 123.524 121.223 0.005 0.000 2.109 422 L HA -0.214 4.128 4.340 0.003 0.000 0.207 422 L C 2.184 179.105 176.870 0.085 0.000 1.086 422 L CA 0.851 55.655 54.840 -0.060 0.000 0.760 422 L CB -0.226 41.676 42.059 -0.262 0.000 0.910 422 L HN 0.702 nan 8.230 nan 0.000 0.437 423 N N 0.647 119.412 118.700 0.108 0.000 2.223 423 N HA -0.230 4.512 4.740 0.003 0.000 0.185 423 N C 1.091 176.749 175.510 0.247 0.000 1.016 423 N CA 0.979 54.135 53.050 0.177 0.000 0.863 423 N CB -0.452 38.169 38.487 0.224 0.000 0.983 423 N HN 0.247 nan 8.380 nan 0.000 0.429 424 R N 1.803 122.490 120.500 0.313 0.000 4.113 424 R HA 0.132 4.474 4.340 0.003 0.000 0.179 424 R C 0.225 176.672 176.300 0.244 0.000 1.781 424 R CA -0.202 56.068 56.100 0.283 0.000 1.402 424 R CB -0.714 29.766 30.300 0.300 0.000 1.375 424 R HN 0.498 nan 8.270 nan 0.000 0.786 425 I N -0.758 119.930 120.570 0.197 0.000 2.754 425 I HA 0.118 4.290 4.170 0.003 0.000 0.285 425 I C 0.105 176.302 176.117 0.134 0.000 1.166 425 I CA 0.077 61.475 61.300 0.164 0.000 1.417 425 I CB 1.101 39.175 38.000 0.122 0.000 1.382 425 I HN 0.179 nan 8.210 nan 0.000 0.588 426 S N 3.902 119.676 115.700 0.124 0.000 2.543 426 S HA 0.318 4.790 4.470 0.003 0.000 0.271 426 S C -0.751 173.924 174.600 0.126 0.000 1.148 426 S CA -0.848 57.421 58.200 0.115 0.000 0.914 426 S CB 0.718 63.970 63.200 0.086 0.000 1.096 426 S HN 0.755 nan 8.310 nan 0.000 0.471 427 Y N 3.334 123.655 120.300 0.035 0.000 2.993 427 Y HA 0.293 4.845 4.550 0.003 0.000 0.340 427 Y C 1.251 177.174 175.900 0.039 0.000 1.273 427 Y CA 2.539 60.660 58.100 0.035 0.000 1.545 427 Y CB -0.334 38.140 38.460 0.023 0.000 1.275 427 Y HN 1.795 nan 8.280 nan 0.000 0.617 428 G N 4.755 113.182 108.800 -0.621 0.000 2.698 428 G HA2 -0.210 3.752 3.960 0.003 0.000 0.233 428 G HA3 -0.210 3.752 3.960 0.003 0.000 0.233 428 G C -2.575 172.274 174.900 -0.084 0.000 1.352 428 G CA -0.527 44.361 45.100 -0.353 0.000 0.879 428 G HN 0.791 nan 8.290 nan 0.000 0.567 429 P HA 0.215 nan 4.420 nan 0.000 0.230 429 P C 0.280 177.490 177.300 -0.150 0.000 1.791 429 P CA 0.502 63.645 63.100 0.072 0.000 1.020 429 P CB -0.142 31.605 31.700 0.078 0.000 1.977 430 D N 0.135 120.509 120.400 -0.044 0.000 2.371 430 D HA -0.183 4.458 4.640 0.003 0.000 0.221 430 D C 1.692 177.862 176.300 -0.217 0.000 0.986 430 D CA 0.179 54.074 54.000 -0.175 0.000 0.899 430 D CB -0.868 39.844 40.800 -0.147 0.000 0.902 430 D HN 0.445 nan 8.370 nan 0.000 0.530 431 W N 2.109 123.455 121.300 0.077 0.000 2.350 431 W HA -0.155 4.506 4.660 0.002 0.000 0.289 431 W C 0.997 177.663 176.519 0.244 0.000 1.215 431 W CA 0.661 58.176 57.345 0.283 0.000 1.236 431 W CB -0.679 28.917 29.460 0.227 0.000 1.130 431 W HN -0.015 nan 8.180 nan 0.000 0.541 432 K N 0.633 120.558 120.400 -0.793 0.000 2.209 432 K HA -0.145 4.176 4.320 0.003 0.000 0.204 432 K C 1.602 178.105 176.600 -0.161 0.000 1.048 432 K CA 1.780 57.617 56.287 -0.749 0.000 0.940 432 K CB -0.279 31.675 32.500 -0.909 0.000 0.729 432 K HN 0.027 nan 8.250 nan 0.000 0.451 433 D N 0.691 120.966 120.400 -0.208 0.000 2.084 433 D HA -0.112 4.530 4.640 0.003 0.000 0.196 433 D C 1.857 178.209 176.300 0.087 0.000 0.985 433 D CA 1.182 55.097 54.000 -0.141 0.000 0.826 433 D CB -0.227 40.371 40.800 -0.336 0.000 0.978 433 D HN 0.082 nan 8.370 nan 0.000 0.456 434 F N 0.322 120.489 119.950 0.362 0.000 2.126 434 F HA -0.173 4.356 4.527 0.002 0.000 0.299 434 F C 2.434 178.574 175.800 0.567 0.000 1.096 434 F CA 0.496 58.835 58.000 0.565 0.000 1.255 434 F CB -1.250 38.007 39.000 0.429 0.000 0.997 434 F HN 0.022 nan 8.300 nan 0.000 0.479 435 Y N -0.023 120.590 120.300 0.521 0.000 2.200 435 Y HA -0.176 4.376 4.550 0.003 0.000 0.290 435 Y C 2.592 178.716 175.900 0.374 0.000 1.137 435 Y CA 1.473 59.846 58.100 0.456 0.000 1.163 435 Y CB -0.608 38.157 38.460 0.508 0.000 0.988 435 Y HN -0.100 nan 8.280 nan 0.000 0.518 436 V N -0.212 119.919 119.914 0.361 0.000 2.358 436 V HA -0.124 3.998 4.120 0.003 0.000 0.246 436 V C 0.878 177.104 176.094 0.220 0.000 1.047 436 V CA 0.849 63.291 62.300 0.238 0.000 1.035 436 V CB -0.542 31.393 31.823 0.187 0.000 0.658 436 V HN 0.071 nan 8.190 nan 0.000 0.452 437 V N 2.551 122.647 119.914 0.303 0.000 2.703 437 V HA -0.105 4.017 4.120 0.003 0.000 0.300 437 V C 0.375 176.647 176.094 0.297 0.000 1.063 437 V CA 0.973 63.451 62.300 0.297 0.000 1.240 437 V CB -0.307 31.708 31.823 0.320 0.000 0.845 437 V HN 0.710 nan 8.190 nan 0.000 0.476 438 E N 8.610 128.943 120.200 0.222 0.000 2.081 438 E HA 0.366 4.718 4.350 0.003 0.000 0.276 438 E C -1.816 174.924 176.600 0.233 0.000 0.950 438 E CA -2.183 54.351 56.400 0.224 0.000 0.776 438 E CB 1.696 31.495 29.700 0.165 0.000 1.094 438 E HN 0.321 nan 8.360 nan 0.000 0.402 439 P HA -0.127 nan 4.420 nan 0.000 0.215 439 P C 0.704 178.210 177.300 0.343 0.000 1.157 439 P CA 1.138 64.391 63.100 0.255 0.000 0.868 439 P CB 0.196 32.044 31.700 0.246 0.000 0.788 440 L N -1.625 119.800 121.223 0.337 0.000 2.591 440 L HA 0.148 4.489 4.340 0.003 0.000 0.228 440 L C 1.129 178.016 176.870 0.029 0.000 1.133 440 L CA -0.267 54.717 54.840 0.239 0.000 0.880 440 L CB -0.600 41.545 42.059 0.143 0.000 1.033 440 L HN -0.138 nan 8.230 nan 0.000 0.450 441 A N 1.409 124.316 122.820 0.145 0.000 3.030 441 A HA 0.301 4.622 4.320 0.003 0.000 0.273 441 A C -0.208 177.468 177.584 0.153 0.000 1.841 441 A CA -0.004 52.078 52.037 0.076 0.000 1.479 441 A CB -1.344 17.707 19.000 0.086 0.000 1.048 441 A HN 0.381 nan 8.150 nan 0.000 0.612 442 F N -1.818 118.139 119.950 0.011 0.000 2.685 442 F HA 0.676 5.205 4.527 0.004 0.000 0.315 442 F C -0.464 175.341 175.800 0.008 0.000 1.126 442 F CA -1.653 56.344 58.000 -0.005 0.000 0.950 442 F CB 0.897 39.889 39.000 -0.015 0.000 1.360 442 F HN 0.111 nan 8.300 nan 0.000 0.469 443 E N 0.775 121.107 120.200 0.220 0.000 2.265 443 E HA 0.532 4.883 4.350 0.003 0.000 0.272 443 E C -0.178 176.520 176.600 0.165 0.000 1.067 443 E CA 0.491 56.959 56.400 0.114 0.000 0.900 443 E CB 0.261 30.035 29.700 0.124 0.000 1.017 443 E HN 1.107 nan 8.360 nan 0.000 0.431 444 G N 2.504 111.290 108.800 -0.022 0.000 2.411 444 G HA2 0.259 4.220 3.960 0.003 0.000 0.295 444 G HA3 0.259 4.220 3.960 0.003 0.000 0.295 444 G C -0.398 174.476 174.900 -0.044 0.000 1.542 444 G CA -0.363 44.753 45.100 0.028 0.000 0.814 444 G HN 0.568 nan 8.290 nan 0.000 0.557 445 T N -0.295 114.266 114.554 0.012 0.000 2.802 445 T HA 0.409 4.761 4.350 0.003 0.000 0.305 445 T C -1.207 173.482 174.700 -0.018 0.000 1.053 445 T CA -0.465 61.634 62.100 -0.002 0.000 1.058 445 T CB 1.457 70.337 68.868 0.019 0.000 0.988 445 T HN 0.147 nan 8.240 nan 0.000 0.539 446 P HA -0.142 nan 4.420 nan 0.000 0.215 446 P C 1.727 179.030 177.300 0.005 0.000 1.153 446 P CA 1.166 64.254 63.100 -0.019 0.000 0.853 446 P CB 0.006 31.697 31.700 -0.016 0.000 0.788 447 E N 0.239 120.449 120.200 0.015 0.000 2.152 447 E HA -0.208 4.144 4.350 0.003 0.000 0.192 447 E C 2.057 178.689 176.600 0.053 0.000 0.983 447 E CA 0.959 57.376 56.400 0.028 0.000 0.818 447 E CB -1.029 28.683 29.700 0.020 0.000 0.758 447 E HN 0.355 nan 8.360 nan 0.000 0.467 448 Q N 1.320 121.160 119.800 0.067 0.000 2.046 448 Q HA -0.118 4.224 4.340 0.003 0.000 0.200 448 Q C 2.039 178.146 176.000 0.178 0.000 0.975 448 Q CA 1.391 57.264 55.803 0.117 0.000 0.836 448 Q CB 0.057 28.876 28.738 0.136 0.000 0.896 448 Q HN 0.196 nan 8.270 nan 0.000 0.428 449 K N -0.134 120.344 120.400 0.130 0.000 2.209 449 K HA -0.108 4.213 4.320 0.003 0.000 0.204 449 K C 1.960 178.659 176.600 0.165 0.000 1.048 449 K CA 0.866 57.238 56.287 0.141 0.000 0.940 449 K CB -0.106 32.363 32.500 -0.052 0.000 0.729 449 K HN 0.244 nan 8.250 nan 0.000 0.451 450 A N 1.206 124.090 122.820 0.108 0.000 2.019 450 A HA -0.124 4.198 4.320 0.003 0.000 0.219 450 A C 1.883 179.542 177.584 0.125 0.000 1.164 450 A CA 1.136 53.230 52.037 0.094 0.000 0.644 450 A CB -0.513 18.519 19.000 0.053 0.000 0.805 450 A HN 0.205 nan 8.150 nan 0.000 0.449 451 L N 0.050 121.354 121.223 0.135 0.000 2.633 451 L HA -0.023 4.319 4.340 0.003 0.000 0.235 451 L C -0.033 176.920 176.870 0.137 0.000 1.163 451 L CA -0.153 54.760 54.840 0.122 0.000 0.859 451 L CB -0.191 41.931 42.059 0.105 0.000 0.973 451 L HN 0.098 nan 8.230 nan 0.000 0.451 452 V N 2.134 122.168 119.914 0.201 0.000 2.356 452 V HA 0.019 4.141 4.120 0.003 0.000 0.258 452 V C 1.277 177.536 176.094 0.275 0.000 1.065 452 V CA -0.014 62.416 62.300 0.218 0.000 0.935 452 V CB 0.795 32.806 31.823 0.312 0.000 1.061 452 V HN 0.254 nan 8.190 nan 0.000 0.484 453 I N 1.898 122.568 120.570 0.168 0.000 3.684 453 I HA 0.598 4.770 4.170 0.003 0.000 0.304 453 I C 0.997 177.264 176.117 0.249 0.000 1.278 453 I CA 0.660 62.081 61.300 0.201 0.000 1.272 453 I CB -0.190 37.870 38.000 0.100 0.000 1.029 453 I HN 0.675 nan 8.210 nan 0.000 0.458 454 G N 0.546 109.399 108.800 0.089 0.000 2.233 454 G HA2 0.376 4.338 3.960 0.003 0.000 0.162 454 G HA3 0.376 4.338 3.960 0.003 0.000 0.162 454 G C -0.484 174.341 174.900 -0.124 0.000 1.327 454 G CA -0.325 44.712 45.100 -0.105 0.000 1.187 454 G HN 0.742 nan 8.290 nan 0.000 0.479 455 G N -1.268 107.566 108.800 0.057 0.000 2.489 455 G HA2 0.650 4.611 3.960 0.003 0.000 0.305 455 G HA3 0.650 4.611 3.960 0.003 0.000 0.305 455 G C -1.933 173.119 174.900 0.253 0.000 1.311 455 G CA 0.125 45.320 45.100 0.159 0.000 0.813 455 G HN 0.776 nan 8.290 nan 0.000 0.480 456 E N -0.987 119.383 120.200 0.282 0.000 2.331 456 E HA 0.580 4.931 4.350 0.003 0.000 0.275 456 E C -0.567 176.139 176.600 0.177 0.000 0.895 456 E CA -0.886 55.639 56.400 0.209 0.000 0.753 456 E CB 2.577 32.389 29.700 0.187 0.000 1.216 456 E HN 0.766 nan 8.360 nan 0.000 0.434 457 A N 1.705 124.533 122.820 0.014 0.000 2.301 457 A HA 0.491 4.813 4.320 0.003 0.000 0.298 457 A C -0.546 176.888 177.584 -0.251 0.000 1.185 457 A CA -0.462 51.511 52.037 -0.107 0.000 0.830 457 A CB 0.201 19.057 19.000 -0.240 0.000 1.112 457 A HN 0.667 nan 8.150 nan 0.000 0.508 458 C N 3.709 122.781 119.300 -0.381 0.000 2.298 458 C HA 0.544 5.006 4.460 0.003 0.000 0.323 458 C C 0.207 174.823 174.990 -0.624 0.000 1.284 458 C CA -0.568 58.061 59.018 -0.648 0.000 1.577 458 C CB 0.274 27.484 27.740 -0.883 0.000 2.249 458 C HN 0.814 nan 8.230 nan 0.000 0.497 459 M N 3.136 122.367 119.600 -0.616 0.000 2.741 459 M HA 0.201 4.682 4.480 0.003 0.000 0.283 459 M C -0.686 175.380 176.300 -0.389 0.000 1.176 459 M CA -0.312 54.745 55.300 -0.404 0.000 1.139 459 M CB -0.014 32.399 32.600 -0.313 0.000 1.234 459 M HN 0.792 nan 8.290 nan 0.000 0.497 460 W N 0.296 121.473 121.300 -0.205 0.000 2.148 460 W HA 0.254 4.915 4.660 0.003 0.000 0.347 460 W C 1.534 177.981 176.519 -0.119 0.000 1.288 460 W CA -0.048 57.172 57.345 -0.208 0.000 1.252 460 W CB 0.339 29.660 29.460 -0.231 0.000 1.156 460 W HN 0.709 nan 8.180 nan 0.000 0.580 461 G N 0.520 109.421 108.800 0.168 0.000 3.042 461 G HA2 -0.080 3.881 3.960 0.003 0.000 0.212 461 G HA3 -0.080 3.881 3.960 0.003 0.000 0.212 461 G C 1.092 176.106 174.900 0.189 0.000 1.166 461 G CA 0.024 45.222 45.100 0.164 0.000 0.767 461 G HN 0.481 nan 8.290 nan 0.000 0.546 462 E N 0.534 120.725 120.200 -0.015 0.000 2.095 462 E HA -0.206 4.146 4.350 0.003 0.000 0.212 462 E C 0.551 176.960 176.600 -0.318 0.000 1.044 462 E CA 1.608 57.807 56.400 -0.335 0.000 0.857 462 E CB -0.270 29.005 29.700 -0.709 0.000 0.764 462 E HN 0.604 nan 8.360 nan 0.000 0.462 463 Y N -1.382 119.024 120.300 0.176 0.000 2.734 463 Y HA 0.407 4.958 4.550 0.003 0.000 0.278 463 Y C -0.759 175.155 175.900 0.023 0.000 1.108 463 Y CA -0.531 57.634 58.100 0.108 0.000 1.211 463 Y CB 0.671 39.178 38.460 0.079 0.000 1.182 463 Y HN -0.243 nan 8.280 nan 0.000 0.547 464 V N 1.191 121.155 119.914 0.083 0.000 2.623 464 V HA 0.520 4.641 4.120 0.003 0.000 0.304 464 V C -0.841 175.158 176.094 -0.158 0.000 1.054 464 V CA -0.850 61.437 62.300 -0.022 0.000 0.882 464 V CB 2.162 33.994 31.823 0.015 0.000 1.002 464 V HN 0.393 nan 8.190 nan 0.000 0.424 465 D N 1.704 121.965 120.400 -0.232 0.000 2.752 465 D HA 0.226 4.867 4.640 0.003 0.000 0.313 465 D C 0.953 177.193 176.300 -0.099 0.000 1.225 465 D CA -0.535 53.353 54.000 -0.187 0.000 0.976 465 D CB 0.697 41.271 40.800 -0.376 0.000 1.443 465 D HN 0.244 nan 8.370 nan 0.000 0.515 466 N N -1.208 117.458 118.700 -0.057 0.000 2.200 466 N HA -0.360 4.382 4.740 0.003 0.000 0.199 466 N C 1.331 176.817 175.510 -0.040 0.000 0.987 466 N CA 2.278 55.303 53.050 -0.042 0.000 0.908 466 N CB -0.086 38.390 38.487 -0.017 0.000 1.035 466 N HN 0.529 nan 8.380 nan 0.000 0.481 467 T N 0.025 114.549 114.554 -0.049 0.000 2.896 467 T HA -0.028 4.324 4.350 0.003 0.000 0.263 467 T C 1.202 175.880 174.700 -0.037 0.000 1.050 467 T CA 1.446 63.526 62.100 -0.034 0.000 1.140 467 T CB -0.097 68.750 68.868 -0.034 0.000 0.877 467 T HN 0.545 nan 8.240 nan 0.000 0.457 468 N N 0.430 119.100 118.700 -0.051 0.000 2.159 468 N HA 0.098 4.840 4.740 0.003 0.000 0.217 468 N C 1.501 176.975 175.510 -0.059 0.000 1.223 468 N CA -0.065 52.956 53.050 -0.047 0.000 0.896 468 N CB -0.411 38.054 38.487 -0.035 0.000 1.064 468 N HN 0.331 nan 8.380 nan 0.000 0.518 469 L N 1.216 122.399 121.223 -0.066 0.000 1.989 469 L HA -0.084 4.258 4.340 0.003 0.000 0.211 469 L C 1.815 178.624 176.870 -0.101 0.000 1.071 469 L CA 1.572 56.361 54.840 -0.086 0.000 0.749 469 L CB -0.564 41.447 42.059 -0.080 0.000 0.890 469 L HN -0.046 nan 8.230 nan 0.000 0.431 470 V N 1.018 120.903 119.914 -0.049 0.000 2.261 470 V HA -0.179 3.942 4.120 0.003 0.000 0.246 470 V C -0.126 175.967 176.094 -0.002 0.000 1.047 470 V CA 2.259 64.573 62.300 0.023 0.000 1.015 470 V CB -2.389 29.468 31.823 0.056 0.000 0.642 470 V HN 0.422 nan 8.190 nan 0.000 0.446 471 P HA -0.228 nan 4.420 nan 0.000 0.214 471 P C 1.688 178.942 177.300 -0.076 0.000 1.163 471 P CA 1.780 64.834 63.100 -0.077 0.000 0.883 471 P CB -0.114 31.527 31.700 -0.098 0.000 0.788 472 R N -0.294 120.153 120.500 -0.088 0.000 2.094 472 R HA -0.135 4.206 4.340 0.003 0.000 0.239 472 R C 2.673 178.864 176.300 -0.182 0.000 1.137 472 R CA 1.488 57.532 56.100 -0.093 0.000 0.943 472 R CB -1.080 29.174 30.300 -0.077 0.000 0.850 472 R HN 0.103 nan 8.270 nan 0.000 0.433 473 L N -0.865 120.158 121.223 -0.334 0.000 1.970 473 L HA -0.143 4.199 4.340 0.003 0.000 0.212 473 L C 0.335 176.765 176.870 -0.734 0.000 1.071 473 L CA 1.308 55.718 54.840 -0.717 0.000 0.751 473 L CB -0.149 41.239 42.059 -1.118 0.000 0.889 473 L HN 0.218 nan 8.230 nan 0.000 0.432 474 W N -1.452 119.805 121.300 -0.072 0.000 2.627 474 W HA 0.330 4.992 4.660 0.002 0.000 0.339 474 W C -1.700 174.757 176.519 -0.104 0.000 1.058 474 W CA -1.635 55.664 57.345 -0.077 0.000 1.223 474 W CB 0.009 29.424 29.460 -0.075 0.000 1.389 474 W HN -0.204 nan 8.180 nan 0.000 0.541 475 P HA 0.073 nan 4.420 nan 0.000 0.257 475 P C 1.016 178.363 177.300 0.078 0.000 1.281 475 P CA 0.358 63.536 63.100 0.130 0.000 0.826 475 P CB 0.284 31.916 31.700 -0.113 0.000 1.237 476 R N 0.842 121.378 120.500 0.060 0.000 2.094 476 R HA -0.142 4.199 4.340 0.003 0.000 0.239 476 R C 2.246 178.591 176.300 0.075 0.000 1.137 476 R CA 1.942 58.126 56.100 0.140 0.000 0.943 476 R CB -1.419 28.985 30.300 0.172 0.000 0.850 476 R HN 0.153 nan 8.270 nan 0.000 0.433 477 A N 0.951 123.705 122.820 -0.109 0.000 1.978 477 A HA -0.126 4.195 4.320 0.003 0.000 0.220 477 A C 2.401 180.053 177.584 0.113 0.000 1.170 477 A CA 1.794 53.724 52.037 -0.178 0.000 0.636 477 A CB -1.131 17.564 19.000 -0.507 0.000 0.810 477 A HN 0.524 nan 8.150 nan 0.000 0.448 478 G N -0.523 108.470 108.800 0.322 0.000 2.462 478 G HA2 -0.041 3.921 3.960 0.003 0.000 0.220 478 G HA3 -0.041 3.921 3.960 0.003 0.000 0.220 478 G C 1.662 176.929 174.900 0.612 0.000 1.121 478 G CA 1.389 46.757 45.100 0.447 0.000 0.758 478 G HN 0.816 nan 8.290 nan 0.000 0.559 479 A N 0.231 123.334 122.820 0.472 0.000 1.902 479 A HA 0.043 4.364 4.320 0.003 0.000 0.217 479 A C 2.624 180.439 177.584 0.385 0.000 1.181 479 A CA 1.900 54.358 52.037 0.702 0.000 0.623 479 A CB -0.637 18.843 19.000 0.799 0.000 0.818 479 A HN 0.276 nan 8.150 nan 0.000 0.443 480 V N 0.036 119.954 119.914 0.006 0.000 2.233 480 V HA -0.295 3.826 4.120 0.003 0.000 0.247 480 V C 3.073 179.037 176.094 -0.216 0.000 1.050 480 V CA 2.097 64.108 62.300 -0.481 0.000 1.010 480 V CB -1.541 29.866 31.823 -0.694 0.000 0.637 480 V HN 0.627 nan 8.190 nan 0.000 0.444 481 A N -0.070 122.757 122.820 0.012 0.000 1.927 481 A HA -0.362 3.959 4.320 0.003 0.000 0.220 481 A C 2.266 179.890 177.584 0.066 0.000 1.185 481 A CA 2.557 54.649 52.037 0.091 0.000 0.639 481 A CB -0.628 18.491 19.000 0.198 0.000 0.820 481 A HN 0.707 nan 8.150 nan 0.000 0.451 482 E N -0.794 119.419 120.200 0.021 0.000 2.047 482 E HA -0.234 4.117 4.350 0.003 0.000 0.191 482 E C 2.201 178.810 176.600 0.014 0.000 0.987 482 E CA 1.378 57.686 56.400 -0.154 0.000 0.799 482 E CB -0.133 29.287 29.700 -0.467 0.000 0.752 482 E HN 0.396 nan 8.360 nan 0.000 0.449 483 R N 0.515 121.017 120.500 0.004 0.000 2.105 483 R HA -0.060 4.282 4.340 0.003 0.000 0.239 483 R C 1.982 178.426 176.300 0.241 0.000 1.135 483 R CA 1.507 57.637 56.100 0.050 0.000 0.967 483 R CB -0.493 29.831 30.300 0.040 0.000 0.861 483 R HN 0.349 nan 8.270 nan 0.000 0.442 484 L N -1.142 120.205 121.223 0.208 0.000 2.509 484 L HA 0.029 4.371 4.340 0.003 0.000 0.222 484 L C 1.988 179.138 176.870 0.466 0.000 1.123 484 L CA 0.189 55.279 54.840 0.416 0.000 0.856 484 L CB -0.250 41.924 42.059 0.191 0.000 0.985 484 L HN 0.348 nan 8.230 nan 0.000 0.456 485 W N 0.276 121.651 121.300 0.125 0.000 2.922 485 W HA 0.172 4.834 4.660 0.003 0.000 0.260 485 W C 0.891 177.405 176.519 -0.009 0.000 1.088 485 W CA 0.130 57.511 57.345 0.061 0.000 1.694 485 W CB 0.110 29.571 29.460 0.002 0.000 1.064 485 W HN -0.118 nan 8.180 nan 0.000 0.611 486 S N 1.911 117.772 115.700 0.269 0.000 2.617 486 S HA 0.030 4.502 4.470 0.003 0.000 0.259 486 S C 0.187 174.804 174.600 0.028 0.000 1.301 486 S CA -0.542 57.750 58.200 0.153 0.000 0.984 486 S CB 0.442 63.746 63.200 0.174 0.000 0.954 486 S HN 0.147 nan 8.310 nan 0.000 0.572 487 N N 0.908 119.628 118.700 0.033 0.000 2.371 487 N HA 0.006 4.747 4.740 0.003 0.000 0.243 487 N C 1.055 176.597 175.510 0.053 0.000 1.287 487 N CA 0.040 53.098 53.050 0.013 0.000 0.911 487 N CB 0.432 38.944 38.487 0.041 0.000 1.142 487 N HN 0.599 nan 8.380 nan 0.000 0.451 488 K N 1.787 122.213 120.400 0.043 0.000 2.097 488 K HA -0.054 4.267 4.320 0.003 0.000 0.205 488 K C 1.804 178.451 176.600 0.078 0.000 1.050 488 K CA 0.960 57.287 56.287 0.067 0.000 0.938 488 K CB -0.005 32.527 32.500 0.053 0.000 0.718 488 K HN 0.537 nan 8.250 nan 0.000 0.442 489 L N 0.713 121.984 121.223 0.080 0.000 2.217 489 L HA -0.051 4.291 4.340 0.003 0.000 0.211 489 L C 0.689 177.633 176.870 0.123 0.000 1.107 489 L CA 0.569 55.465 54.840 0.092 0.000 0.783 489 L CB -0.227 41.882 42.059 0.084 0.000 0.919 489 L HN 0.012 nan 8.230 nan 0.000 0.442 490 T N 0.380 115.021 114.554 0.145 0.000 2.775 490 T HA 0.194 4.545 4.350 0.003 0.000 0.287 490 T C 0.678 175.493 174.700 0.192 0.000 0.909 490 T CA 0.349 62.559 62.100 0.183 0.000 1.081 490 T CB 0.145 69.145 68.868 0.222 0.000 0.891 490 T HN 0.380 nan 8.240 nan 0.000 0.544 491 S N 0.988 116.843 115.700 0.258 0.000 2.952 491 S HA 0.110 4.581 4.470 0.003 0.000 0.238 491 S C -0.714 174.128 174.600 0.403 0.000 0.780 491 S CA -0.870 57.538 58.200 0.346 0.000 1.150 491 S CB -0.492 62.816 63.200 0.179 0.000 1.320 491 S HN 0.598 nan 8.310 nan 0.000 0.540 492 D N 1.821 122.432 120.400 0.352 0.000 2.343 492 D HA 0.306 4.948 4.640 0.003 0.000 0.255 492 D C 1.275 177.747 176.300 0.287 0.000 1.187 492 D CA -0.543 53.626 54.000 0.281 0.000 0.875 492 D CB 0.519 41.471 40.800 0.254 0.000 1.136 492 D HN 0.039 nan 8.370 nan 0.000 0.469 493 L N 3.272 124.630 121.223 0.224 0.000 2.376 493 L HA -0.043 4.299 4.340 0.003 0.000 0.219 493 L C 1.961 178.969 176.870 0.229 0.000 1.133 493 L CA 1.157 56.104 54.840 0.179 0.000 0.816 493 L CB -1.083 41.027 42.059 0.084 0.000 0.933 493 L HN 0.562 nan 8.230 nan 0.000 0.449 494 T N -1.388 113.290 114.554 0.207 0.000 2.976 494 T HA -0.062 4.290 4.350 0.003 0.000 0.257 494 T C 1.693 176.578 174.700 0.308 0.000 1.051 494 T CA 0.347 62.577 62.100 0.216 0.000 1.141 494 T CB -0.101 68.841 68.868 0.123 0.000 0.881 494 T HN 0.174 nan 8.240 nan 0.000 0.461 495 F N 1.661 121.658 119.950 0.078 0.000 2.259 495 F HA 0.058 4.587 4.527 0.003 0.000 0.298 495 F C 2.431 178.272 175.800 0.069 0.000 1.088 495 F CA 0.560 58.570 58.000 0.017 0.000 1.358 495 F CB -0.007 38.945 39.000 -0.080 0.000 1.040 495 F HN 0.153 nan 8.300 nan 0.000 0.505 496 A N -0.114 122.771 122.820 0.108 0.000 1.898 496 A HA -0.249 4.072 4.320 0.003 0.000 0.216 496 A C 1.895 179.500 177.584 0.035 0.000 1.181 496 A CA 1.517 53.582 52.037 0.048 0.000 0.620 496 A CB -1.537 17.333 19.000 -0.216 0.000 0.819 496 A HN 0.643 nan 8.150 nan 0.000 0.442 497 Y N 0.888 121.247 120.300 0.097 0.000 2.097 497 Y HA -0.264 4.288 4.550 0.002 0.000 0.282 497 Y C 2.260 178.101 175.900 -0.099 0.000 1.152 497 Y CA 2.418 60.528 58.100 0.015 0.000 1.136 497 Y CB -0.414 38.172 38.460 0.209 0.000 0.975 497 Y HN 0.474 nan 8.280 nan 0.000 0.498 498 E N -0.054 120.201 120.200 0.092 0.000 2.033 498 E HA -0.290 4.062 4.350 0.003 0.000 0.199 498 E C 2.302 178.819 176.600 -0.138 0.000 1.011 498 E CA 1.911 58.318 56.400 0.011 0.000 0.815 498 E CB -0.221 29.582 29.700 0.172 0.000 0.755 498 E HN 0.499 nan 8.360 nan 0.000 0.451 499 R N 0.201 120.637 120.500 -0.106 0.000 2.073 499 R HA -0.149 4.193 4.340 0.003 0.000 0.234 499 R C 2.521 178.715 176.300 -0.175 0.000 1.134 499 R CA 0.993 57.071 56.100 -0.036 0.000 0.952 499 R CB -0.450 29.902 30.300 0.086 0.000 0.850 499 R HN 0.119 nan 8.270 nan 0.000 0.433 500 L N 1.080 121.958 121.223 -0.576 0.000 2.042 500 L HA -0.200 4.141 4.340 0.003 0.000 0.210 500 L C 2.324 178.829 176.870 -0.609 0.000 1.076 500 L CA 2.062 56.321 54.840 -0.969 0.000 0.749 500 L CB -0.425 40.758 42.059 -1.460 0.000 0.893 500 L HN 0.223 nan 8.230 nan 0.000 0.432 501 S N -2.221 113.112 115.700 -0.612 0.000 2.383 501 S HA -0.289 4.182 4.470 0.003 0.000 0.227 501 S C 2.080 176.513 174.600 -0.279 0.000 1.026 501 S CA 1.204 59.110 58.200 -0.489 0.000 0.981 501 S CB -0.966 61.862 63.200 -0.620 0.000 0.818 501 S HN 0.712 nan 8.310 nan 0.000 0.472 502 H N 0.461 119.371 119.070 -0.267 0.000 2.423 502 H HA 0.071 4.628 4.556 0.003 0.000 0.297 502 H C 1.691 176.952 175.328 -0.113 0.000 1.075 502 H CA 1.607 57.558 56.048 -0.161 0.000 1.342 502 H CB -0.456 29.253 29.762 -0.088 0.000 1.395 502 H HN 0.484 nan 8.280 nan 0.000 0.530 503 F N 0.702 120.518 119.950 -0.222 0.000 2.113 503 F HA -0.114 4.415 4.527 0.003 0.000 0.297 503 F C 2.766 178.363 175.800 -0.339 0.000 1.103 503 F CA 1.103 58.941 58.000 -0.270 0.000 1.248 503 F CB -0.137 38.682 39.000 -0.301 0.000 0.999 503 F HN 0.027 nan 8.300 nan 0.000 0.475 504 R N 0.251 120.575 120.500 -0.292 0.000 2.139 504 R HA -0.216 4.125 4.340 0.003 0.000 0.243 504 R C 2.088 178.177 176.300 -0.352 0.000 1.145 504 R CA 1.921 57.818 56.100 -0.338 0.000 0.976 504 R CB -1.331 28.788 30.300 -0.301 0.000 0.866 504 R HN 0.429 nan 8.270 nan 0.000 0.449 505 c N 0.006 118.390 118.600 -0.359 0.000 2.466 505 c HA -0.023 4.549 4.570 0.003 0.000 0.278 505 c C 2.551 176.412 174.090 -0.381 0.000 1.288 505 c CA 0.760 56.882 56.329 -0.346 0.000 1.722 505 c CB -0.582 41.705 42.510 -0.371 0.000 2.017 505 c HN 0.544 nan 8.230 nan 0.000 0.488 506 E N 1.184 121.093 120.200 -0.486 0.000 2.077 506 E HA -0.128 4.224 4.350 0.003 0.000 0.193 506 E C 1.974 178.241 176.600 -0.554 0.000 0.989 506 E CA 1.226 57.325 56.400 -0.502 0.000 0.800 506 E CB -0.465 28.920 29.700 -0.525 0.000 0.746 506 E HN 0.575 nan 8.360 nan 0.000 0.452 507 L N -0.228 120.590 121.223 -0.674 0.000 2.042 507 L HA -0.197 4.145 4.340 0.003 0.000 0.210 507 L C 2.308 178.972 176.870 -0.344 0.000 1.076 507 L CA 0.636 55.114 54.840 -0.604 0.000 0.749 507 L CB -0.489 41.204 42.059 -0.610 0.000 0.893 507 L HN 0.231 nan 8.230 nan 0.000 0.432 508 L N -0.206 120.862 121.223 -0.258 0.000 1.989 508 L HA -0.238 4.103 4.340 0.003 0.000 0.211 508 L C 2.775 179.583 176.870 -0.103 0.000 1.071 508 L CA 1.738 56.520 54.840 -0.097 0.000 0.749 508 L CB -0.741 41.278 42.059 -0.067 0.000 0.890 508 L HN 0.165 nan 8.230 nan 0.000 0.431 509 R N -0.389 120.004 120.500 -0.179 0.000 2.139 509 R HA -0.162 4.179 4.340 0.003 0.000 0.243 509 R C 2.153 178.347 176.300 -0.178 0.000 1.145 509 R CA 1.379 57.379 56.100 -0.168 0.000 0.976 509 R CB -0.082 30.101 30.300 -0.194 0.000 0.866 509 R HN 0.343 nan 8.270 nan 0.000 0.449 510 R N -1.347 119.007 120.500 -0.244 0.000 2.307 510 R HA 0.042 4.383 4.340 0.003 0.000 0.199 510 R C 1.109 177.328 176.300 -0.135 0.000 1.000 510 R CA 0.643 56.594 56.100 -0.249 0.000 1.023 510 R CB 0.428 30.456 30.300 -0.453 0.000 0.908 510 R HN 0.530 nan 8.270 nan 0.000 0.473 511 G N 0.281 109.031 108.800 -0.083 0.000 2.179 511 G HA2 -0.231 3.730 3.960 0.003 0.000 0.220 511 G HA3 -0.231 3.730 3.960 0.003 0.000 0.220 511 G C 0.181 175.130 174.900 0.080 0.000 0.990 511 G CA -0.162 44.940 45.100 0.002 0.000 0.646 511 G HN 0.102 nan 8.290 nan 0.000 0.517 512 V N 1.303 121.211 119.914 -0.010 0.000 2.637 512 V HA 0.329 4.450 4.120 0.003 0.000 0.296 512 V C 1.200 177.272 176.094 -0.037 0.000 1.046 512 V CA 0.528 62.804 62.300 -0.040 0.000 1.066 512 V CB 1.710 33.425 31.823 -0.180 0.000 0.968 512 V HN 0.400 nan 8.190 nan 0.000 0.483 513 Q N 2.925 122.657 119.800 -0.113 0.000 2.938 513 Q HA 0.380 4.721 4.340 0.003 0.000 0.343 513 Q C 0.455 176.260 176.000 -0.325 0.000 1.185 513 Q CA -0.425 55.071 55.803 -0.512 0.000 0.939 513 Q CB -0.004 28.420 28.738 -0.522 0.000 1.480 513 Q HN 0.944 nan 8.270 nan 0.000 0.442 514 A N 1.906 124.601 122.820 -0.209 0.000 2.462 514 A HA 0.113 4.435 4.320 0.003 0.000 0.243 514 A C 0.039 177.528 177.584 -0.159 0.000 1.076 514 A CA -0.331 51.642 52.037 -0.107 0.000 0.773 514 A CB 0.281 19.218 19.000 -0.106 0.000 1.010 514 A HN 0.724 nan 8.150 nan 0.000 0.493 515 Q N 2.631 122.369 119.800 -0.103 0.000 2.227 515 Q HA 0.599 4.940 4.340 0.003 0.000 0.245 515 Q C -2.627 173.317 176.000 -0.093 0.000 0.926 515 Q CA -2.010 53.732 55.803 -0.102 0.000 0.895 515 Q CB 0.984 29.680 28.738 -0.071 0.000 1.230 515 Q HN 0.484 nan 8.270 nan 0.000 0.450 516 P HA 0.012 nan 4.420 nan 0.000 0.275 516 P C -0.029 177.240 177.300 -0.050 0.000 1.227 516 P CA -0.342 62.717 63.100 -0.068 0.000 0.781 516 P CB 0.927 32.609 31.700 -0.029 0.000 0.906 517 L N 1.966 123.141 121.223 -0.079 0.000 2.044 517 L HA 0.069 4.411 4.340 0.003 0.000 0.205 517 L C 1.451 178.411 176.870 0.149 0.000 1.075 517 L CA 1.825 56.651 54.840 -0.024 0.000 0.747 517 L CB -0.778 41.169 42.059 -0.187 0.000 0.903 517 L HN 0.642 nan 8.230 nan 0.000 0.435 518 N N -2.440 116.347 118.700 0.145 0.000 3.378 518 N HA 0.201 4.943 4.740 0.003 0.000 0.294 518 N C -1.234 174.348 175.510 0.121 0.000 1.544 518 N CA -0.324 52.820 53.050 0.157 0.000 0.872 518 N CB 1.270 39.902 38.487 0.241 0.000 1.670 518 N HN -0.215 nan 8.380 nan 0.000 0.551 519 V N -0.445 119.536 119.914 0.112 0.000 2.788 519 V HA 0.635 4.756 4.120 0.003 0.000 0.307 519 V C 0.987 177.162 176.094 0.135 0.000 1.069 519 V CA 0.989 63.351 62.300 0.103 0.000 1.173 519 V CB -0.055 31.819 31.823 0.086 0.000 0.925 519 V HN 1.005 nan 8.190 nan 0.000 0.492 520 G N 3.251 112.140 108.800 0.148 0.000 2.470 520 G HA2 0.498 4.459 3.960 0.003 0.000 0.145 520 G HA3 0.498 4.459 3.960 0.003 0.000 0.145 520 G C -0.997 174.109 174.900 0.344 0.000 1.223 520 G CA 0.033 45.277 45.100 0.239 0.000 1.058 520 G HN 2.275 nan 8.290 nan 0.000 0.469 521 F N -1.333 118.621 119.950 0.007 0.000 2.793 521 F HA 0.709 5.238 4.527 0.003 0.000 0.316 521 F C -0.966 174.821 175.800 -0.022 0.000 1.147 521 F CA -1.791 56.205 58.000 -0.005 0.000 0.930 521 F CB 0.325 39.326 39.000 0.002 0.000 1.277 521 F HN 0.782 nan 8.300 nan 0.000 0.443 522 c N 2.487 120.927 118.600 -0.266 0.000 2.454 522 c HA 0.558 5.130 4.570 0.003 0.000 0.336 522 c C 1.604 175.547 174.090 -0.246 0.000 1.189 522 c CA -0.153 55.927 56.329 -0.414 0.000 1.877 522 c CB 1.420 43.789 42.510 -0.234 0.000 2.348 522 c HN 1.008 nan 8.230 nan 0.000 0.508 523 E N 1.379 121.429 120.200 -0.250 0.000 2.012 523 E HA -0.128 4.223 4.350 0.003 0.000 0.197 523 E C 1.149 177.774 176.600 0.042 0.000 1.007 523 E CA 1.482 57.876 56.400 -0.009 0.000 0.816 523 E CB -0.290 29.394 29.700 -0.026 0.000 0.762 523 E HN 0.776 nan 8.360 nan 0.000 0.451 524 Q N 1.659 121.447 119.800 -0.021 0.000 2.271 524 Q HA 0.087 4.428 4.340 0.003 0.000 0.273 524 Q C -0.763 175.239 176.000 0.002 0.000 1.051 524 Q CA 0.185 55.979 55.803 -0.015 0.000 0.901 524 Q CB 1.006 29.716 28.738 -0.048 0.000 1.174 524 Q HN -0.036 nan 8.270 nan 0.000 0.385 525 E N 2.930 123.149 120.200 0.032 0.000 2.191 525 E HA 0.282 4.634 4.350 0.003 0.000 0.278 525 E C -1.348 175.293 176.600 0.069 0.000 0.972 525 E CA -0.888 55.551 56.400 0.065 0.000 0.804 525 E CB 0.650 30.401 29.700 0.085 0.000 1.110 525 E HN 0.545 nan 8.360 nan 0.000 0.394 526 F N 5.181 125.108 119.950 -0.038 0.000 2.495 526 F HA 0.017 4.546 4.527 0.003 0.000 0.370 526 F C 0.017 175.802 175.800 -0.025 0.000 1.117 526 F CA 0.245 58.220 58.000 -0.041 0.000 1.060 526 F CB 0.231 39.202 39.000 -0.047 0.000 1.065 526 F HN 0.284 nan 8.300 nan 0.000 0.571 527 E N 6.669 126.658 120.200 -0.352 0.000 2.220 527 E HA 0.373 4.725 4.350 0.003 0.000 0.256 527 E C -1.300 175.000 176.600 -0.500 0.000 0.881 527 E CA -0.850 55.371 56.400 -0.298 0.000 0.766 527 E CB 1.933 31.561 29.700 -0.121 0.000 1.187 527 E HN 0.549 nan 8.360 nan 0.000 0.419 528 Q N 0.000 119.491 119.800 -0.515 0.000 2.315 528 Q HA 0.000 4.342 4.340 0.003 0.000 0.214 528 Q CA 0.000 55.577 55.803 -0.377 0.000 1.022 528 Q CB 0.000 28.397 28.738 -0.568 0.000 1.108 528 Q HN 0.000 nan 8.270 nan 0.000 0.481