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 2gjx_1_E 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 0.000 176.919 176.870 0.082 0.000 1.165 23 L CA 0.000 54.871 54.840 0.052 0.000 0.813 23 L CB 0.000 42.013 42.059 -0.077 0.000 0.961 24 W N 8.356 129.435 121.300 -0.367 0.000 2.900 24 W HA 0.592 5.252 4.660 -0.000 0.000 0.336 24 W C -2.780 173.401 176.519 -0.564 0.000 1.064 24 W CA -1.220 55.831 57.345 -0.489 0.000 1.237 24 W CB 2.670 31.637 29.460 -0.821 0.000 1.391 24 W HN 0.395 nan 8.180 nan 0.000 0.468 25 P HA 0.083 nan 4.420 nan 0.000 0.279 25 P C -0.301 176.772 177.300 -0.378 0.000 1.276 25 P CA -0.172 62.449 63.100 -0.799 0.000 0.801 25 P CB 1.272 32.587 31.700 -0.642 0.000 1.127 26 W N 1.648 122.703 121.300 -0.409 0.000 2.304 26 W HA 0.195 4.855 4.660 -0.000 0.000 0.313 26 W C -2.442 174.053 176.519 -0.040 0.000 1.323 26 W CA -1.767 55.486 57.345 -0.154 0.000 1.223 26 W CB 0.463 29.918 29.460 -0.008 0.000 1.237 26 W HN 0.288 nan 8.180 nan 0.000 0.535 27 P HA -0.058 nan 4.420 nan 0.000 0.272 27 P C 0.719 177.861 177.300 -0.264 0.000 1.240 27 P CA 0.247 63.148 63.100 -0.332 0.000 0.791 27 P CB 0.768 32.181 31.700 -0.480 0.000 0.978 28 Q N 0.393 120.035 119.800 -0.262 0.000 2.050 28 Q HA -0.044 4.296 4.340 -0.000 0.000 0.202 28 Q C -0.028 175.901 176.000 -0.118 0.000 0.980 28 Q CA 1.728 57.349 55.803 -0.303 0.000 0.840 28 Q CB -0.294 27.949 28.738 -0.826 0.000 0.898 28 Q HN 0.517 nan 8.270 nan 0.000 0.424 29 N N -0.556 118.078 118.700 -0.111 0.000 2.504 29 N HA 0.266 5.006 4.740 -0.000 0.000 0.280 29 N C -1.680 173.860 175.510 0.050 0.000 1.052 29 N CA -0.177 52.874 53.050 0.003 0.000 0.887 29 N CB 1.344 39.847 38.487 0.026 0.000 1.323 29 N HN 0.048 nan 8.380 nan 0.000 0.509 30 F N 2.150 122.025 119.950 -0.125 0.000 2.646 30 F HA 0.238 4.765 4.527 -0.000 0.000 0.364 30 F C -0.379 175.407 175.800 -0.024 0.000 1.137 30 F CA -0.695 57.210 58.000 -0.158 0.000 1.085 30 F CB 0.974 39.703 39.000 -0.452 0.000 1.331 30 F HN 0.106 nan 8.300 nan 0.000 0.472 31 Q N 4.529 124.212 119.800 -0.196 0.000 2.323 31 Q HA 0.144 4.484 4.340 -0.000 0.000 0.257 31 Q C -0.072 175.615 176.000 -0.521 0.000 1.022 31 Q CA 0.174 55.805 55.803 -0.287 0.000 0.919 31 Q CB 1.585 30.270 28.738 -0.089 0.000 1.220 31 Q HN 0.698 nan 8.270 nan 0.000 0.427 32 T N 1.143 115.297 114.554 -0.666 0.000 2.943 32 T HA 0.587 4.937 4.350 -0.000 0.000 0.284 32 T C -0.485 174.098 174.700 -0.195 0.000 1.015 32 T CA -0.269 61.502 62.100 -0.547 0.000 1.042 32 T CB 1.399 69.894 68.868 -0.623 0.000 1.055 32 T HN 0.506 nan 8.240 nan 0.000 0.500 33 S N 0.542 116.195 115.700 -0.078 0.000 2.720 33 S HA 0.498 4.968 4.470 -0.000 0.000 0.287 33 S C -0.578 174.015 174.600 -0.012 0.000 1.168 33 S CA -0.615 57.568 58.200 -0.028 0.000 0.832 33 S CB 1.621 64.830 63.200 0.015 0.000 1.166 33 S HN 0.748 nan 8.310 nan 0.000 0.493 34 D N 0.739 121.126 120.400 -0.022 0.000 2.417 34 D HA 0.159 4.799 4.640 -0.000 0.000 0.207 34 D C 0.339 176.614 176.300 -0.042 0.000 1.075 34 D CA 0.147 54.126 54.000 -0.035 0.000 0.851 34 D CB 0.226 40.996 40.800 -0.051 0.000 0.976 34 D HN 0.517 nan 8.370 nan 0.000 0.505 35 Q N 1.139 120.909 119.800 -0.049 0.000 2.330 35 Q HA 0.151 4.491 4.340 -0.000 0.000 0.279 35 Q C -0.287 175.604 176.000 -0.182 0.000 1.024 35 Q CA 0.281 56.003 55.803 -0.135 0.000 0.900 35 Q CB 0.713 29.365 28.738 -0.143 0.000 1.221 35 Q HN -0.038 nan 8.270 nan 0.000 0.396 36 R N 2.067 122.379 120.500 -0.313 0.000 2.828 36 R HA 0.515 4.855 4.340 -0.000 0.000 0.264 36 R C -1.378 174.646 176.300 -0.460 0.000 1.022 36 R CA -0.465 55.484 56.100 -0.253 0.000 1.021 36 R CB 1.395 31.474 30.300 -0.368 0.000 1.163 36 R HN 0.539 nan 8.270 nan 0.000 0.494 37 Y N -0.418 119.992 120.300 0.183 0.000 2.396 37 Y HA 0.278 4.828 4.550 -0.000 0.000 0.332 37 Y C -0.458 175.585 175.900 0.238 0.000 1.034 37 Y CA -1.098 57.114 58.100 0.187 0.000 1.057 37 Y CB 1.766 40.311 38.460 0.142 0.000 1.220 37 Y HN 0.169 nan 8.280 nan 0.000 0.440 38 V N 4.912 124.985 119.914 0.264 0.000 2.715 38 V HA 0.223 4.343 4.120 -0.000 0.000 0.299 38 V C 0.154 176.050 176.094 -0.330 0.000 1.054 38 V CA -0.305 61.922 62.300 -0.121 0.000 1.077 38 V CB 0.718 32.414 31.823 -0.211 0.000 0.972 38 V HN 0.607 nan 8.190 nan 0.000 0.484 39 L N 3.678 124.575 121.223 -0.544 0.000 2.303 39 L HA 0.592 4.932 4.340 -0.000 0.000 0.266 39 L C -1.369 174.999 176.870 -0.838 0.000 1.011 39 L CA -0.803 53.727 54.840 -0.517 0.000 0.818 39 L CB 2.059 43.926 42.059 -0.320 0.000 1.326 39 L HN 0.561 nan 8.230 nan 0.000 0.435 40 Y N 0.665 120.797 120.300 -0.280 0.000 2.488 40 Y HA 0.264 4.814 4.550 -0.000 0.000 0.330 40 Y C -1.756 173.762 175.900 -0.637 0.000 1.013 40 Y CA -1.807 56.083 58.100 -0.350 0.000 1.304 40 Y CB 0.691 39.037 38.460 -0.190 0.000 1.098 40 Y HN 0.368 nan 8.280 nan 0.000 0.498 41 P HA -0.253 nan 4.420 nan 0.000 0.219 41 P C 0.616 177.392 177.300 -0.872 0.000 1.153 41 P CA 1.774 63.817 63.100 -1.762 0.000 0.865 41 P CB 0.513 31.500 31.700 -1.188 0.000 0.788 42 N N -1.442 117.020 118.700 -0.397 0.000 2.405 42 N HA -0.016 4.724 4.740 -0.000 0.000 0.175 42 N C 0.513 175.956 175.510 -0.112 0.000 1.051 42 N CA 0.555 53.495 53.050 -0.184 0.000 0.899 42 N CB -0.508 37.910 38.487 -0.115 0.000 1.000 42 N HN 0.155 nan 8.380 nan 0.000 0.451 43 N N -0.265 118.376 118.700 -0.099 0.000 2.389 43 N HA 0.138 4.878 4.740 -0.000 0.000 0.260 43 N C -1.216 174.286 175.510 -0.013 0.000 1.191 43 N CA -0.261 52.749 53.050 -0.067 0.000 0.885 43 N CB 0.082 38.499 38.487 -0.117 0.000 1.162 43 N HN 0.075 nan 8.380 nan 0.000 0.512 44 F N 2.253 122.096 119.950 -0.179 0.000 2.436 44 F HA 0.405 4.931 4.527 -0.000 0.000 0.340 44 F C -0.277 175.416 175.800 -0.177 0.000 1.113 44 F CA -0.720 57.171 58.000 -0.182 0.000 1.022 44 F CB 0.926 39.805 39.000 -0.202 0.000 1.128 44 F HN 0.041 nan 8.300 nan 0.000 0.466 45 Q N 4.474 123.714 119.800 -0.935 0.000 2.421 45 Q HA 0.506 4.846 4.340 -0.000 0.000 0.280 45 Q C -2.076 173.302 176.000 -1.037 0.000 1.085 45 Q CA -0.905 54.496 55.803 -0.669 0.000 0.807 45 Q CB 2.409 30.942 28.738 -0.342 0.000 1.405 45 Q HN 0.547 nan 8.270 nan 0.000 0.419 46 F N 1.813 121.373 119.950 -0.651 0.000 2.385 46 F HA 0.305 4.832 4.527 -0.000 0.000 0.360 46 F C 0.012 175.209 175.800 -1.004 0.000 1.122 46 F CA -0.449 56.989 58.000 -0.936 0.000 1.090 46 F CB 1.602 39.832 39.000 -1.283 0.000 1.150 46 F HN 0.530 nan 8.300 nan 0.000 0.472 47 Q N 2.310 121.733 119.800 -0.630 0.000 2.377 47 Q HA 0.534 4.874 4.340 -0.000 0.000 0.271 47 Q C -1.623 174.154 176.000 -0.371 0.000 1.077 47 Q CA -1.025 54.513 55.803 -0.443 0.000 0.820 47 Q CB 1.831 30.427 28.738 -0.237 0.000 1.347 47 Q HN 0.545 nan 8.270 nan 0.000 0.444 48 Y N 0.568 120.809 120.300 -0.099 0.000 2.357 48 Y HA 0.178 4.728 4.550 -0.000 0.000 0.340 48 Y C 0.270 176.143 175.900 -0.045 0.000 1.260 48 Y CA 0.012 58.097 58.100 -0.025 0.000 1.425 48 Y CB 0.679 39.159 38.460 0.033 0.000 1.326 48 Y HN 0.722 nan 8.280 nan 0.000 0.580 49 D N -0.250 120.232 120.400 0.138 0.000 2.225 49 D HA 0.188 4.828 4.640 -0.000 0.000 0.249 49 D C 0.887 177.224 176.300 0.061 0.000 1.052 49 D CA -0.389 53.648 54.000 0.061 0.000 0.909 49 D CB 1.571 42.391 40.800 0.034 0.000 1.186 49 D HN 0.343 nan 8.370 nan 0.000 0.431 50 V N 0.909 120.840 119.914 0.029 0.000 2.469 50 V HA -0.141 3.979 4.120 -0.000 0.000 0.251 50 V C 1.050 177.150 176.094 0.011 0.000 1.064 50 V CA 1.716 64.025 62.300 0.015 0.000 1.066 50 V CB -1.213 30.613 31.823 0.004 0.000 0.667 50 V HN 0.537 nan 8.190 nan 0.000 0.461 51 S N 0.158 115.868 115.700 0.015 0.000 3.548 51 S HA 0.590 5.060 4.470 -0.000 0.000 0.195 51 S C 0.027 174.639 174.600 0.021 0.000 1.432 51 S CA 0.246 58.453 58.200 0.012 0.000 1.087 51 S CB 0.063 63.269 63.200 0.010 0.000 1.337 51 S HN 0.732 nan 8.310 nan 0.000 0.505 52 S N 0.622 116.335 115.700 0.022 0.000 2.548 52 S HA 0.694 5.164 4.470 -0.000 0.000 0.276 52 S C 0.875 175.475 174.600 0.000 0.000 1.129 52 S CA -0.140 58.079 58.200 0.033 0.000 0.931 52 S CB 1.341 64.594 63.200 0.088 0.000 1.068 52 S HN 0.613 nan 8.310 nan 0.000 0.480 53 A N 3.814 126.632 122.820 -0.004 0.000 1.877 53 A HA 0.408 4.728 4.320 -0.000 0.000 0.216 53 A C 1.330 178.876 177.584 -0.064 0.000 1.186 53 A CA 1.354 53.372 52.037 -0.031 0.000 0.620 53 A CB -1.137 17.848 19.000 -0.025 0.000 0.822 53 A HN 1.419 nan 8.150 nan 0.000 0.443 54 A N -0.719 122.075 122.820 -0.045 0.000 2.450 54 A HA 0.547 4.867 4.320 -0.000 0.000 0.255 54 A C -0.042 177.370 177.584 -0.287 0.000 1.096 54 A CA 0.126 52.107 52.037 -0.093 0.000 0.778 54 A CB 0.368 19.395 19.000 0.044 0.000 1.031 54 A HN 0.511 nan 8.150 nan 0.000 0.494 55 Q N 1.331 120.777 119.800 -0.590 0.000 2.590 55 Q HA 0.521 4.861 4.340 -0.000 0.000 0.295 55 Q C -2.922 172.525 176.000 -0.922 0.000 0.973 55 Q CA -1.760 53.488 55.803 -0.924 0.000 0.768 55 Q CB 1.964 30.472 28.738 -0.383 0.000 1.479 55 Q HN 0.413 nan 8.270 nan 0.000 0.419 56 P HA 0.070 nan 4.420 nan 0.000 0.261 56 P C 0.090 177.288 177.300 -0.170 0.000 1.165 56 P CA 2.057 65.015 63.100 -0.237 0.000 0.759 56 P CB 0.283 31.942 31.700 -0.069 0.000 0.772 57 G N 1.972 110.718 108.800 -0.091 0.000 2.211 57 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.201 57 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.201 57 G C 0.273 175.124 174.900 -0.082 0.000 0.997 57 G CA -0.190 44.865 45.100 -0.074 0.000 0.652 57 G HN 0.755 nan 8.290 nan 0.000 0.500 58 c N 3.652 122.189 118.600 -0.105 0.000 2.459 58 c HA 0.583 5.153 4.570 -0.000 0.000 0.358 58 c C 2.478 176.525 174.090 -0.072 0.000 1.162 58 c CA 0.708 56.981 56.329 -0.094 0.000 1.559 58 c CB -1.260 41.206 42.510 -0.073 0.000 2.132 58 c HN 0.992 nan 8.230 nan 0.000 0.536 59 S N 4.137 119.793 115.700 -0.073 0.000 2.374 59 S HA -0.164 4.306 4.470 -0.000 0.000 0.227 59 S C 1.589 176.130 174.600 -0.099 0.000 1.037 59 S CA 2.129 60.290 58.200 -0.064 0.000 1.024 59 S CB -0.556 62.621 63.200 -0.038 0.000 0.861 59 S HN 0.679 nan 8.310 nan 0.000 0.456 60 V N 1.373 121.209 119.914 -0.131 0.000 2.270 60 V HA -0.052 4.068 4.120 -0.000 0.000 0.245 60 V C 2.556 178.490 176.094 -0.266 0.000 1.043 60 V CA 1.535 63.736 62.300 -0.165 0.000 1.014 60 V CB -0.792 30.902 31.823 -0.214 0.000 0.645 60 V HN 0.352 nan 8.190 nan 0.000 0.447 61 L N -0.116 120.905 121.223 -0.337 0.000 2.179 61 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 61 L C 2.066 178.369 176.870 -0.945 0.000 1.096 61 L CA 1.539 55.950 54.840 -0.715 0.000 0.779 61 L CB -1.107 40.620 42.059 -0.554 0.000 0.922 61 L HN 0.316 nan 8.230 nan 0.000 0.443 62 D N -0.364 119.835 120.400 -0.335 0.000 2.178 62 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 62 D C 1.968 178.182 176.300 -0.144 0.000 0.980 62 D CA 0.873 54.803 54.000 -0.117 0.000 0.842 62 D CB 0.212 41.027 40.800 0.025 0.000 0.948 62 D HN 0.327 nan 8.370 nan 0.000 0.472 63 E N 0.259 120.344 120.200 -0.192 0.000 2.190 63 E HA 0.101 4.451 4.350 -0.000 0.000 0.191 63 E C 2.067 178.566 176.600 -0.167 0.000 0.978 63 E CA 0.344 56.661 56.400 -0.139 0.000 0.839 63 E CB -0.117 29.509 29.700 -0.123 0.000 0.787 63 E HN 0.162 nan 8.360 nan 0.000 0.473 64 A N 1.101 123.751 122.820 -0.283 0.000 1.902 64 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 64 A C 1.911 179.405 177.584 -0.149 0.000 1.181 64 A CA 1.102 53.018 52.037 -0.201 0.000 0.623 64 A CB -0.722 18.076 19.000 -0.338 0.000 0.818 64 A HN 0.106 nan 8.150 nan 0.000 0.443 65 F N -0.337 119.440 119.950 -0.288 0.000 2.134 65 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 65 F C 2.535 178.135 175.800 -0.333 0.000 1.097 65 F CA 1.560 59.206 58.000 -0.590 0.000 1.264 65 F CB -1.138 37.625 39.000 -0.395 0.000 1.001 65 F HN 0.253 nan 8.300 nan 0.000 0.479 66 Q N 0.117 119.951 119.800 0.056 0.000 2.172 66 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 66 Q C 2.369 178.390 176.000 0.035 0.000 0.964 66 Q CA 1.091 56.939 55.803 0.076 0.000 0.855 66 Q CB -0.186 28.587 28.738 0.058 0.000 0.918 66 Q HN 0.228 nan 8.270 nan 0.000 0.444 67 R N -1.310 119.179 120.500 -0.018 0.000 2.075 67 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 67 R C 1.447 177.666 176.300 -0.134 0.000 1.126 67 R CA 1.383 57.426 56.100 -0.095 0.000 0.963 67 R CB -0.114 30.086 30.300 -0.167 0.000 0.858 67 R HN 0.364 nan 8.270 nan 0.000 0.435 68 Y N 0.337 120.588 120.300 -0.082 0.000 2.457 68 Y HA -0.073 4.477 4.550 -0.000 0.000 0.292 68 Y C 2.388 178.329 175.900 0.068 0.000 1.125 68 Y CA 1.251 59.330 58.100 -0.036 0.000 1.254 68 Y CB 0.040 38.453 38.460 -0.079 0.000 1.012 68 Y HN 0.152 nan 8.280 nan 0.000 0.555 69 R N -0.042 120.625 120.500 0.278 0.000 2.115 69 R HA -0.122 4.218 4.340 -0.000 0.000 0.226 69 R C 1.502 177.946 176.300 0.240 0.000 1.100 69 R CA 1.861 58.235 56.100 0.457 0.000 0.980 69 R CB -0.487 30.165 30.300 0.585 0.000 0.875 69 R HN 0.191 nan 8.270 nan 0.000 0.445 70 D N 0.519 120.992 120.400 0.122 0.000 2.137 70 D HA -0.126 4.514 4.640 -0.000 0.000 0.202 70 D C 1.806 178.091 176.300 -0.026 0.000 0.970 70 D CA 0.549 54.584 54.000 0.059 0.000 0.837 70 D CB 0.044 40.861 40.800 0.028 0.000 0.981 70 D HN 0.216 nan 8.370 nan 0.000 0.475 71 L N 0.044 121.219 121.223 -0.080 0.000 2.191 71 L HA 0.010 4.350 4.340 -0.000 0.000 0.212 71 L C 1.995 178.749 176.870 -0.192 0.000 1.103 71 L CA 1.297 56.049 54.840 -0.146 0.000 0.769 71 L CB -0.184 41.743 42.059 -0.220 0.000 0.908 71 L HN 0.193 nan 8.230 nan 0.000 0.438 72 L N -2.468 118.573 121.223 -0.304 0.000 2.221 72 L HA 0.051 4.391 4.340 -0.000 0.000 0.202 72 L C 0.088 176.454 176.870 -0.840 0.000 1.074 72 L CA 0.306 54.720 54.840 -0.710 0.000 0.795 72 L CB 0.079 41.413 42.059 -1.208 0.000 0.960 72 L HN 0.069 nan 8.230 nan 0.000 0.458 73 F N -0.162 119.788 119.950 -0.000 0.000 2.622 73 F HA 0.594 5.121 4.527 -0.000 0.000 0.338 73 F C 0.364 176.163 175.800 -0.001 0.000 1.334 73 F CA -0.728 57.244 58.000 -0.046 0.000 1.179 73 F CB 0.629 39.535 39.000 -0.157 0.000 1.471 73 F HN -0.157 nan 8.300 nan 0.000 0.576 90 L N -0.239 121.131 121.223 0.245 0.000 2.375 90 L HA 0.984 5.324 4.340 -0.000 0.000 0.268 90 L C -0.485 176.526 176.870 0.235 0.000 1.058 90 L CA -0.569 54.427 54.840 0.260 0.000 0.803 90 L CB 1.068 43.353 42.059 0.375 0.000 1.212 90 L HN 0.437 nan 8.230 nan 0.000 0.451 91 E N 1.635 121.966 120.200 0.218 0.000 2.260 91 E HA 0.268 4.618 4.350 -0.000 0.000 0.266 91 E C -1.241 175.531 176.600 0.288 0.000 0.887 91 E CA -0.476 56.040 56.400 0.194 0.000 0.777 91 E CB 2.176 31.978 29.700 0.170 0.000 1.205 91 E HN 0.778 nan 8.360 nan 0.000 0.414 92 K N 0.844 121.383 120.400 0.232 0.000 3.054 92 K HA 0.367 4.687 4.320 -0.000 0.000 0.203 92 K C -0.349 176.113 176.600 -0.231 0.000 1.126 92 K CA -0.645 55.771 56.287 0.216 0.000 1.023 92 K CB 0.425 33.033 32.500 0.179 0.000 0.722 92 K HN 0.171 nan 8.250 nan 0.000 0.441 93 N N 0.411 118.915 118.700 -0.326 0.000 3.186 93 N HA 0.116 4.856 4.740 -0.000 0.000 0.230 93 N C -2.195 173.064 175.510 -0.418 0.000 1.062 93 N CA -0.550 52.142 53.050 -0.598 0.000 1.084 93 N CB 2.204 40.479 38.487 -0.353 0.000 1.662 93 N HN 0.052 nan 8.380 nan 0.000 0.627 94 V N 4.494 124.041 119.914 -0.611 0.000 2.378 94 V HA 0.584 4.704 4.120 -0.000 0.000 0.288 94 V C -0.922 174.952 176.094 -0.367 0.000 1.016 94 V CA -0.548 61.518 62.300 -0.390 0.000 0.840 94 V CB 0.828 32.347 31.823 -0.506 0.000 0.994 94 V HN 0.532 nan 8.190 nan 0.000 0.431 95 L N 7.369 128.454 121.223 -0.231 0.000 2.331 95 L HA 0.497 4.837 4.340 -0.000 0.000 0.278 95 L C 0.029 176.820 176.870 -0.131 0.000 1.106 95 L CA 0.411 55.142 54.840 -0.182 0.000 0.824 95 L CB 1.421 43.415 42.059 -0.109 0.000 1.142 95 L HN 0.429 nan 8.230 nan 0.000 0.443 96 V N 3.876 123.715 119.914 -0.125 0.000 2.495 96 V HA 0.661 4.781 4.120 -0.000 0.000 0.298 96 V C -0.523 175.605 176.094 0.057 0.000 1.031 96 V CA -0.753 61.529 62.300 -0.031 0.000 0.871 96 V CB 2.127 33.946 31.823 -0.006 0.000 0.988 96 V HN 0.474 nan 8.190 nan 0.000 0.432 97 V N 4.149 124.105 119.914 0.069 0.000 2.532 97 V HA 0.615 4.735 4.120 -0.000 0.000 0.294 97 V C -0.409 175.729 176.094 0.073 0.000 1.036 97 V CA 0.022 62.372 62.300 0.084 0.000 0.876 97 V CB 2.090 33.948 31.823 0.057 0.000 1.012 97 V HN 0.915 nan 8.190 nan 0.000 0.432 98 S N 4.449 120.192 115.700 0.072 0.000 2.442 98 S HA 0.454 4.924 4.470 -0.000 0.000 0.297 98 S C 0.921 175.535 174.600 0.024 0.000 1.131 98 S CA -0.031 58.191 58.200 0.038 0.000 1.092 98 S CB 1.540 64.743 63.200 0.004 0.000 0.998 98 S HN 1.526 nan 8.310 nan 0.000 0.478 99 V N 4.490 124.419 119.914 0.025 0.000 2.446 99 V HA 0.232 4.352 4.120 -0.000 0.000 0.244 99 V C 0.828 176.928 176.094 0.009 0.000 1.039 99 V CA 0.613 62.924 62.300 0.018 0.000 1.045 99 V CB -0.790 31.047 31.823 0.024 0.000 0.681 99 V HN 0.582 nan 8.190 nan 0.000 0.459 100 V N 2.162 122.081 119.914 0.008 0.000 2.529 100 V HA 0.029 4.149 4.120 -0.000 0.000 0.292 100 V C 1.965 178.052 176.094 -0.012 0.000 1.028 100 V CA 1.399 63.702 62.300 0.006 0.000 1.074 100 V CB 0.390 32.226 31.823 0.021 0.000 0.958 100 V HN 0.642 nan 8.190 nan 0.000 0.481 101 T N 5.938 120.488 114.554 -0.007 0.000 2.746 101 T HA -0.016 4.333 4.350 -0.000 0.000 0.267 101 T C -1.134 173.552 174.700 -0.024 0.000 1.039 101 T CA 0.314 62.404 62.100 -0.016 0.000 1.142 101 T CB -0.720 68.144 68.868 -0.008 0.000 0.866 101 T HN 0.683 nan 8.240 nan 0.000 0.444 102 P HA 0.096 nan 4.420 nan 0.000 0.255 102 P C 0.432 177.708 177.300 -0.040 0.000 1.151 102 P CA 0.178 63.278 63.100 0.001 0.000 0.767 102 P CB -0.386 31.340 31.700 0.043 0.000 0.736 103 G N 2.403 111.182 108.800 -0.036 0.000 2.825 103 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.241 103 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.241 103 G C 1.131 175.971 174.900 -0.101 0.000 1.239 103 G CA -0.548 44.513 45.100 -0.065 0.000 0.859 103 G HN 0.629 nan 8.290 nan 0.000 0.598 104 c N 0.076 118.595 118.600 -0.135 0.000 2.539 104 c HA 0.044 4.614 4.570 -0.000 0.000 0.271 104 c C 1.797 175.835 174.090 -0.087 0.000 1.412 104 c CA -0.184 56.025 56.329 -0.200 0.000 1.729 104 c CB -1.374 41.021 42.510 -0.193 0.000 1.739 104 c HN 0.642 nan 8.230 nan 0.000 0.570 105 N N 0.117 118.806 118.700 -0.019 0.000 2.270 105 N HA 0.047 4.787 4.740 -0.000 0.000 0.198 105 N C 0.332 175.901 175.510 0.099 0.000 1.117 105 N CA 0.332 53.405 53.050 0.038 0.000 0.845 105 N CB -0.127 38.371 38.487 0.019 0.000 0.980 105 N HN 0.494 nan 8.380 nan 0.000 0.486 106 Q N 0.734 120.620 119.800 0.143 0.000 2.230 106 Q HA 0.257 4.597 4.340 -0.000 0.000 0.253 106 Q C -0.171 176.046 176.000 0.361 0.000 0.919 106 Q CA -0.619 55.309 55.803 0.209 0.000 0.908 106 Q CB 1.609 30.457 28.738 0.184 0.000 1.245 106 Q HN 0.099 nan 8.270 nan 0.000 0.437 107 L N 4.663 126.036 121.223 0.250 0.000 2.483 107 L HA 0.146 4.486 4.340 -0.000 0.000 0.276 107 L C -1.789 175.153 176.870 0.119 0.000 1.213 107 L CA -0.807 54.143 54.840 0.184 0.000 0.843 107 L CB -0.322 41.809 42.059 0.120 0.000 1.107 107 L HN 0.366 nan 8.230 nan 0.000 0.487 108 P HA 0.213 nan 4.420 nan 0.000 0.275 108 P C -0.533 176.621 177.300 -0.242 0.000 1.228 108 P CA -0.209 62.487 63.100 -0.674 0.000 0.786 108 P CB 1.024 31.849 31.700 -1.459 0.000 0.927 109 T N -1.491 112.977 114.554 -0.144 0.000 2.888 109 T HA 0.292 4.642 4.350 -0.000 0.000 0.288 109 T C 1.076 175.782 174.700 0.009 0.000 1.063 109 T CA -0.918 61.182 62.100 0.000 0.000 1.010 109 T CB 0.960 69.858 68.868 0.051 0.000 1.214 109 T HN 0.261 nan 8.240 nan 0.000 0.533 110 L N 0.066 121.342 121.223 0.089 0.000 2.191 110 L HA -0.018 4.322 4.340 -0.000 0.000 0.212 110 L C 2.036 178.942 176.870 0.061 0.000 1.103 110 L CA 1.676 56.568 54.840 0.087 0.000 0.769 110 L CB -0.316 41.811 42.059 0.113 0.000 0.908 110 L HN 0.729 nan 8.230 nan 0.000 0.438 111 E N -0.128 120.103 120.200 0.052 0.000 2.371 111 E HA 0.042 4.392 4.350 -0.000 0.000 0.194 111 E C 0.691 177.329 176.600 0.064 0.000 1.012 111 E CA 0.047 56.474 56.400 0.046 0.000 0.860 111 E CB 0.107 29.825 29.700 0.029 0.000 0.811 111 E HN 0.314 nan 8.360 nan 0.000 0.502 112 S N 0.617 116.360 115.700 0.073 0.000 2.575 112 S HA 0.021 4.491 4.470 -0.000 0.000 0.295 112 S C 0.063 174.753 174.600 0.150 0.000 1.267 112 S CA -0.201 58.085 58.200 0.144 0.000 1.074 112 S CB 0.693 63.939 63.200 0.078 0.000 0.829 112 S HN -0.044 nan 8.310 nan 0.000 0.497 113 V N 4.491 124.513 119.914 0.180 0.000 2.353 113 V HA 0.120 4.240 4.120 -0.000 0.000 0.264 113 V C 0.962 177.176 176.094 0.200 0.000 1.049 113 V CA -0.097 62.285 62.300 0.137 0.000 0.896 113 V CB 0.477 32.353 31.823 0.089 0.000 1.025 113 V HN 0.902 nan 8.190 nan 0.000 0.475 114 E N 2.733 123.051 120.200 0.197 0.000 2.416 114 E HA 0.055 4.405 4.350 -0.000 0.000 0.189 114 E C 0.100 176.896 176.600 0.327 0.000 1.091 114 E CA -0.277 56.299 56.400 0.293 0.000 0.889 114 E CB 0.002 29.888 29.700 0.310 0.000 1.015 114 E HN 0.661 nan 8.360 nan 0.000 0.479 115 N N 1.684 120.516 118.700 0.220 0.000 2.412 115 N HA 0.011 4.751 4.740 -0.000 0.000 0.254 115 N C -0.701 174.990 175.510 0.302 0.000 1.232 115 N CA 0.572 53.747 53.050 0.209 0.000 0.880 115 N CB 0.148 38.686 38.487 0.084 0.000 1.076 115 N HN 0.163 nan 8.380 nan 0.000 0.458 116 Y N -2.249 118.164 120.300 0.190 0.000 2.609 116 Y HA 0.668 5.218 4.550 -0.000 0.000 0.336 116 Y C -0.969 175.015 175.900 0.139 0.000 1.129 116 Y CA -1.251 56.939 58.100 0.149 0.000 1.040 116 Y CB 0.963 39.515 38.460 0.153 0.000 1.310 116 Y HN 0.447 nan 8.280 nan 0.000 0.460 117 T N 1.501 116.179 114.554 0.207 0.000 2.916 117 T HA 0.659 5.009 4.350 -0.000 0.000 0.298 117 T C -2.044 172.800 174.700 0.240 0.000 1.031 117 T CA -0.633 61.527 62.100 0.100 0.000 0.993 117 T CB 1.743 70.652 68.868 0.068 0.000 1.045 117 T HN 0.941 nan 8.240 nan 0.000 0.454 118 L N 2.670 124.022 121.223 0.214 0.000 2.349 118 L HA 0.770 5.110 4.340 -0.000 0.000 0.278 118 L C -0.313 176.659 176.870 0.170 0.000 0.996 118 L CA 0.002 54.977 54.840 0.224 0.000 0.825 118 L CB 1.962 44.195 42.059 0.290 0.000 1.243 118 L HN 1.057 nan 8.230 nan 0.000 0.412 119 T N 6.366 121.004 114.554 0.139 0.000 2.840 119 T HA 0.712 5.062 4.350 -0.000 0.000 0.287 119 T C -0.919 173.841 174.700 0.099 0.000 0.991 119 T CA -0.319 61.849 62.100 0.114 0.000 0.964 119 T CB 0.387 69.303 68.868 0.081 0.000 0.954 119 T HN 0.459 nan 8.240 nan 0.000 0.438 120 I N 6.816 127.449 120.570 0.105 0.000 2.497 120 I HA 0.428 4.598 4.170 -0.000 0.000 0.284 120 I C 0.154 176.282 176.117 0.018 0.000 1.060 120 I CA -0.814 60.514 61.300 0.048 0.000 1.071 120 I CB 1.508 39.567 38.000 0.099 0.000 1.216 120 I HN 0.772 nan 8.210 nan 0.000 0.442 121 N N 2.900 121.559 118.700 -0.068 0.000 3.513 121 N HA 0.341 5.081 4.740 -0.000 0.000 0.351 121 N C -0.308 175.134 175.510 -0.113 0.000 1.624 121 N CA -0.671 52.382 53.050 0.004 0.000 0.712 121 N CB 0.738 39.273 38.487 0.080 0.000 2.106 121 N HN 0.171 nan 8.380 nan 0.000 0.649 122 D N -0.046 120.423 120.400 0.116 0.000 2.144 122 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 122 D C 0.189 176.512 176.300 0.039 0.000 0.984 122 D CA 1.738 55.833 54.000 0.158 0.000 0.834 122 D CB -0.232 40.672 40.800 0.174 0.000 0.955 122 D HN 0.607 nan 8.370 nan 0.000 0.465 123 D N -1.463 118.941 120.400 0.008 0.000 2.563 123 D HA 0.094 4.734 4.640 -0.000 0.000 0.237 123 D C -0.153 176.132 176.300 -0.024 0.000 1.282 123 D CA -0.203 53.795 54.000 -0.003 0.000 0.816 123 D CB -0.147 40.663 40.800 0.016 0.000 1.066 123 D HN 0.080 nan 8.370 nan 0.000 0.501 124 Q N -0.406 119.365 119.800 -0.047 0.000 2.345 124 Q HA 0.560 4.900 4.340 -0.000 0.000 0.275 124 Q C -1.568 174.398 176.000 -0.056 0.000 1.063 124 Q CA -0.797 54.984 55.803 -0.038 0.000 0.819 124 Q CB 2.967 31.700 28.738 -0.008 0.000 1.356 124 Q HN 0.161 nan 8.270 nan 0.000 0.418 125 C N 3.500 122.778 119.300 -0.037 0.000 3.432 125 C HA 0.480 4.940 4.460 -0.000 0.000 0.242 125 C C -1.338 173.640 174.990 -0.020 0.000 1.152 125 C CA -0.153 58.857 59.018 -0.013 0.000 1.242 125 C CB -0.428 27.303 27.740 -0.014 0.000 1.802 125 C HN 0.781 nan 8.230 nan 0.000 0.577 126 L N 3.710 124.938 121.223 0.009 0.000 2.341 126 L HA 0.658 4.998 4.340 -0.000 0.000 0.278 126 L C -0.843 176.049 176.870 0.037 0.000 1.005 126 L CA -0.620 54.223 54.840 0.004 0.000 0.818 126 L CB 1.626 43.693 42.059 0.014 0.000 1.259 126 L HN 0.546 nan 8.230 nan 0.000 0.418 127 L N 6.798 128.032 121.223 0.018 0.000 2.337 127 L HA 0.413 4.753 4.340 -0.000 0.000 0.269 127 L C -1.154 175.761 176.870 0.074 0.000 1.018 127 L CA -0.846 54.031 54.840 0.061 0.000 0.876 127 L CB 1.243 43.305 42.059 0.005 0.000 1.236 127 L HN 0.544 nan 8.230 nan 0.000 0.436 128 L N 3.240 124.527 121.223 0.107 0.000 2.322 128 L HA 0.872 5.212 4.340 -0.000 0.000 0.279 128 L C -0.160 176.797 176.870 0.145 0.000 1.036 128 L CA -0.035 54.865 54.840 0.100 0.000 0.807 128 L CB 1.864 43.968 42.059 0.075 0.000 1.226 128 L HN 0.480 nan 8.230 nan 0.000 0.433 129 S N 0.251 116.026 115.700 0.126 0.000 2.588 129 S HA 0.558 5.028 4.470 -0.000 0.000 0.275 129 S C 0.419 175.081 174.600 0.105 0.000 1.130 129 S CA -0.331 57.963 58.200 0.157 0.000 0.855 129 S CB 1.732 65.034 63.200 0.170 0.000 1.116 129 S HN 0.770 nan 8.310 nan 0.000 0.472 130 E N 1.511 121.779 120.200 0.113 0.000 1.999 130 E HA 0.047 4.397 4.350 -0.000 0.000 0.194 130 E C 0.948 177.585 176.600 0.062 0.000 0.995 130 E CA 1.866 58.314 56.400 0.080 0.000 0.825 130 E CB -0.492 29.259 29.700 0.085 0.000 0.777 130 E HN 0.748 nan 8.360 nan 0.000 0.459 131 T N -1.484 113.118 114.554 0.081 0.000 2.884 131 T HA 0.229 4.579 4.350 -0.000 0.000 0.277 131 T C 0.994 175.637 174.700 -0.093 0.000 0.976 131 T CA -0.009 62.098 62.100 0.012 0.000 0.956 131 T CB 1.117 70.058 68.868 0.121 0.000 1.113 131 T HN 0.013 nan 8.240 nan 0.000 0.554 132 V N 0.881 120.580 119.914 -0.358 0.000 2.667 132 V HA 0.016 4.136 4.120 -0.000 0.000 0.252 132 V C 1.497 177.353 176.094 -0.396 0.000 1.065 132 V CA 1.558 63.584 62.300 -0.458 0.000 1.083 132 V CB -0.648 30.756 31.823 -0.699 0.000 0.692 132 V HN 0.895 nan 8.190 nan 0.000 0.468 133 W N 0.255 121.582 121.300 0.045 0.000 2.436 133 W HA 0.136 4.796 4.660 -0.000 0.000 0.284 133 W C 2.447 179.009 176.519 0.072 0.000 1.225 133 W CA 0.627 58.004 57.345 0.052 0.000 1.271 133 W CB -0.879 28.627 29.460 0.077 0.000 1.114 133 W HN 0.281 nan 8.180 nan 0.000 0.559 134 G N 0.689 109.648 108.800 0.266 0.000 2.422 134 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.218 134 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.218 134 G C 1.695 176.636 174.900 0.069 0.000 1.140 134 G CA 1.099 46.356 45.100 0.262 0.000 0.775 134 G HN 0.286 nan 8.290 nan 0.000 0.545 135 A N 0.597 123.425 122.820 0.014 0.000 1.933 135 A HA 0.104 4.424 4.320 -0.000 0.000 0.218 135 A C 2.404 179.896 177.584 -0.154 0.000 1.175 135 A CA 1.096 53.094 52.037 -0.065 0.000 0.628 135 A CB -0.346 18.624 19.000 -0.051 0.000 0.814 135 A HN 0.359 nan 8.150 nan 0.000 0.444 136 L N -0.895 120.266 121.223 -0.105 0.000 2.017 136 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 136 L C 2.862 179.612 176.870 -0.199 0.000 1.073 136 L CA 1.166 55.933 54.840 -0.122 0.000 0.745 136 L CB -0.504 41.573 42.059 0.031 0.000 0.894 136 L HN 0.292 nan 8.230 nan 0.000 0.432 137 R N 0.266 120.657 120.500 -0.182 0.000 2.091 137 R HA -0.104 4.236 4.340 -0.000 0.000 0.238 137 R C 2.255 178.157 176.300 -0.662 0.000 1.136 137 R CA 1.432 57.334 56.100 -0.329 0.000 0.959 137 R CB -1.604 28.608 30.300 -0.146 0.000 0.856 137 R HN 0.419 nan 8.270 nan 0.000 0.437 138 G N 1.388 109.641 108.800 -0.912 0.000 2.440 138 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 138 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 138 G C 1.648 176.345 174.900 -0.338 0.000 1.154 138 G CA 0.466 45.068 45.100 -0.830 0.000 0.767 138 G HN 0.207 nan 8.290 nan 0.000 0.552 139 L N 0.042 121.053 121.223 -0.353 0.000 2.083 139 L HA -0.057 4.283 4.340 -0.000 0.000 0.209 139 L C 2.777 179.412 176.870 -0.393 0.000 1.083 139 L CA 1.414 56.011 54.840 -0.405 0.000 0.752 139 L CB -0.303 41.297 42.059 -0.765 0.000 0.899 139 L HN 0.246 nan 8.230 nan 0.000 0.433 140 E N 0.186 120.179 120.200 -0.345 0.000 2.051 140 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 140 E C 2.038 178.631 176.600 -0.010 0.000 0.991 140 E CA 1.996 58.380 56.400 -0.027 0.000 0.799 140 E CB -0.211 29.502 29.700 0.022 0.000 0.748 140 E HN 0.245 nan 8.360 nan 0.000 0.449 141 T N 0.277 114.768 114.554 -0.105 0.000 2.759 141 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 141 T C 1.480 176.188 174.700 0.014 0.000 1.042 141 T CA 1.301 63.352 62.100 -0.081 0.000 1.140 141 T CB -0.550 68.272 68.868 -0.077 0.000 0.864 141 T HN 0.258 nan 8.240 nan 0.000 0.455 142 F N 2.549 122.458 119.950 -0.068 0.000 2.134 142 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 142 F C 2.609 178.435 175.800 0.044 0.000 1.097 142 F CA 1.580 59.586 58.000 0.010 0.000 1.264 142 F CB -0.429 38.596 39.000 0.042 0.000 1.001 142 F HN 0.205 nan 8.300 nan 0.000 0.479 143 S N -0.558 115.243 115.700 0.168 0.000 2.423 143 S HA -0.214 4.256 4.470 -0.000 0.000 0.231 143 S C 1.713 176.318 174.600 0.009 0.000 1.014 143 S CA 1.214 59.483 58.200 0.115 0.000 0.965 143 S CB -0.649 62.738 63.200 0.311 0.000 0.785 143 S HN 0.655 nan 8.310 nan 0.000 0.495 144 Q N 0.276 120.088 119.800 0.020 0.000 2.354 144 Q HA 0.303 4.643 4.340 -0.000 0.000 0.203 144 Q C 1.943 177.969 176.000 0.045 0.000 0.933 144 Q CA 0.467 56.299 55.803 0.048 0.000 0.901 144 Q CB -0.174 28.599 28.738 0.058 0.000 1.007 144 Q HN 0.536 nan 8.270 nan 0.000 0.495 145 L N 0.263 121.463 121.223 -0.038 0.000 2.341 145 L HA 0.039 4.378 4.340 -0.000 0.000 0.214 145 L C 0.628 177.548 176.870 0.084 0.000 1.115 145 L CA 0.008 54.848 54.840 -0.001 0.000 0.820 145 L CB 0.275 42.299 42.059 -0.059 0.000 0.944 145 L HN -0.037 nan 8.230 nan 0.000 0.452 146 V N 1.661 121.537 119.914 -0.063 0.000 2.521 146 V HA -0.023 4.097 4.120 -0.000 0.000 0.286 146 V C -0.183 176.035 176.094 0.205 0.000 1.034 146 V CA -0.033 62.261 62.300 -0.009 0.000 1.045 146 V CB 0.107 31.826 31.823 -0.173 0.000 0.974 146 V HN 0.294 nan 8.190 nan 0.000 0.480 147 W N 3.929 125.258 121.300 0.047 0.000 3.031 147 W HA 0.709 5.369 4.660 -0.000 0.000 0.337 147 W C -1.251 175.265 176.519 -0.006 0.000 1.187 147 W CA -1.444 55.924 57.345 0.039 0.000 1.166 147 W CB 1.472 30.971 29.460 0.065 0.000 1.437 147 W HN 0.330 nan 8.180 nan 0.000 0.551 148 K N 1.847 122.253 120.400 0.010 0.000 2.207 148 K HA 0.440 4.760 4.320 -0.000 0.000 0.255 148 K C 0.390 177.020 176.600 0.049 0.000 0.941 148 K CA -0.524 55.588 56.287 -0.292 0.000 0.825 148 K CB 2.494 34.723 32.500 -0.453 0.000 1.119 148 K HN 0.526 nan 8.250 nan 0.000 0.430 149 S N 0.429 116.098 115.700 -0.052 0.000 2.686 149 S HA 0.297 4.766 4.470 -0.000 0.000 0.270 149 S C 1.206 175.863 174.600 0.096 0.000 1.194 149 S CA -0.322 57.995 58.200 0.196 0.000 0.990 149 S CB 1.267 64.599 63.200 0.220 0.000 1.029 149 S HN 0.658 nan 8.310 nan 0.000 0.560 150 A N -0.022 122.871 122.820 0.122 0.000 2.067 150 A HA 0.006 4.325 4.320 -0.000 0.000 0.219 150 A C 1.805 179.408 177.584 0.032 0.000 1.158 150 A CA 1.423 53.502 52.037 0.069 0.000 0.661 150 A CB -0.977 18.068 19.000 0.075 0.000 0.801 150 A HN 0.844 nan 8.150 nan 0.000 0.452 151 E N -1.478 118.739 120.200 0.029 0.000 2.285 151 E HA 0.261 4.611 4.350 -0.000 0.000 0.194 151 E C 1.309 177.882 176.600 -0.045 0.000 0.997 151 E CA 0.888 57.291 56.400 0.003 0.000 0.845 151 E CB -0.099 29.614 29.700 0.021 0.000 0.782 151 E HN 0.758 nan 8.360 nan 0.000 0.491 152 G N 0.174 108.915 108.800 -0.097 0.000 2.148 152 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.203 152 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.203 152 G C 0.214 174.923 174.900 -0.319 0.000 0.993 152 G CA 0.093 45.080 45.100 -0.189 0.000 0.661 152 G HN 0.208 nan 8.290 nan 0.000 0.518 153 T N 1.262 115.620 114.554 -0.327 0.000 2.856 153 T HA 0.568 4.918 4.350 -0.000 0.000 0.292 153 T C 0.100 174.298 174.700 -0.836 0.000 0.980 153 T CA -0.025 61.770 62.100 -0.509 0.000 1.091 153 T CB 0.998 69.560 68.868 -0.510 0.000 0.936 153 T HN 0.185 nan 8.240 nan 0.000 0.503 154 F N 2.695 122.193 119.950 -0.754 0.000 2.412 154 F HA 0.565 5.092 4.527 -0.000 0.000 0.348 154 F C 0.024 175.189 175.800 -1.059 0.000 1.102 154 F CA -0.310 57.278 58.000 -0.687 0.000 1.196 154 F CB 0.493 39.261 39.000 -0.387 0.000 1.144 154 F HN 0.436 nan 8.300 nan 0.000 0.541 155 F N 2.570 122.222 119.950 -0.496 0.000 2.643 155 F HA 0.707 5.234 4.527 -0.000 0.000 0.314 155 F C -0.625 174.972 175.800 -0.338 0.000 1.096 155 F CA -1.368 56.302 58.000 -0.549 0.000 0.953 155 F CB 1.758 40.160 39.000 -0.996 0.000 1.345 155 F HN 0.073 nan 8.300 nan 0.000 0.468 156 I N 1.640 122.347 120.570 0.229 0.000 2.644 156 I HA 0.303 4.473 4.170 -0.000 0.000 0.291 156 I C -1.178 175.214 176.117 0.459 0.000 1.180 156 I CA -0.865 60.619 61.300 0.307 0.000 1.040 156 I CB 2.152 40.254 38.000 0.170 0.000 1.255 156 I HN 0.446 nan 8.210 nan 0.000 0.422 157 N N 3.921 122.896 118.700 0.459 0.000 2.463 157 N HA 0.214 4.954 4.740 -0.000 0.000 0.270 157 N C -0.357 175.393 175.510 0.399 0.000 1.205 157 N CA -0.613 52.661 53.050 0.374 0.000 0.974 157 N CB 0.762 39.410 38.487 0.269 0.000 1.197 157 N HN 0.478 nan 8.380 nan 0.000 0.504 158 K N 0.259 120.882 120.400 0.373 0.000 2.447 158 K HA 0.093 4.413 4.320 -0.000 0.000 0.281 158 K C -0.661 176.079 176.600 0.234 0.000 1.031 158 K CA 0.382 56.889 56.287 0.366 0.000 1.019 158 K CB 0.083 32.763 32.500 0.300 0.000 0.918 158 K HN 0.547 nan 8.250 nan 0.000 0.476 159 T N 2.683 117.375 114.554 0.230 0.000 2.933 159 T HA 0.241 4.591 4.350 -0.000 0.000 0.305 159 T C -1.870 172.954 174.700 0.206 0.000 1.092 159 T CA -0.800 61.450 62.100 0.251 0.000 1.008 159 T CB 1.514 70.621 68.868 0.398 0.000 1.102 159 T HN 0.665 nan 8.240 nan 0.000 0.469 160 E N 4.341 124.653 120.200 0.187 0.000 2.235 160 E HA 0.595 4.945 4.350 -0.000 0.000 0.252 160 E C -1.384 175.330 176.600 0.191 0.000 0.886 160 E CA -0.500 55.988 56.400 0.146 0.000 0.767 160 E CB 0.389 30.135 29.700 0.078 0.000 1.205 160 E HN 0.661 nan 8.360 nan 0.000 0.421 161 I N 3.842 124.515 120.570 0.171 0.000 2.466 161 I HA 0.391 4.561 4.170 -0.000 0.000 0.289 161 I C -0.781 175.340 176.117 0.006 0.000 1.026 161 I CA -1.072 60.296 61.300 0.112 0.000 1.078 161 I CB 2.071 40.116 38.000 0.076 0.000 1.249 161 I HN 0.468 nan 8.210 nan 0.000 0.429 162 E N 4.002 124.174 120.200 -0.046 0.000 2.235 162 E HA 0.527 4.876 4.350 -0.000 0.000 0.252 162 E C -1.587 174.916 176.600 -0.163 0.000 0.886 162 E CA -0.675 55.673 56.400 -0.086 0.000 0.767 162 E CB 1.764 31.476 29.700 0.019 0.000 1.205 162 E HN 0.387 nan 8.360 nan 0.000 0.421 163 D N 3.117 123.264 120.400 -0.421 0.000 2.419 163 D HA 0.693 5.333 4.640 -0.000 0.000 0.234 163 D C -1.304 174.878 176.300 -0.196 0.000 1.014 163 D CA -0.652 53.086 54.000 -0.437 0.000 0.919 163 D CB 1.047 41.559 40.800 -0.480 0.000 1.366 163 D HN 0.408 nan 8.370 nan 0.000 0.490 164 F N -1.224 118.616 119.950 -0.184 0.000 2.725 164 F HA 0.554 5.081 4.527 -0.000 0.000 0.309 164 F C -2.982 172.210 175.800 -1.014 0.000 1.132 164 F CA -1.895 55.861 58.000 -0.405 0.000 0.957 164 F CB 0.907 39.744 39.000 -0.271 0.000 1.286 164 F HN -0.007 nan 8.300 nan 0.000 0.440 165 P HA 0.246 nan 4.420 nan 0.000 0.278 165 P C -0.142 176.866 177.300 -0.487 0.000 1.238 165 P CA -0.298 62.022 63.100 -1.300 0.000 0.794 165 P CB 2.189 33.379 31.700 -0.850 0.000 0.955 166 R N 1.425 121.670 120.500 -0.425 0.000 2.075 166 R HA 0.069 4.409 4.340 -0.000 0.000 0.226 166 R C -0.001 175.979 176.300 -0.532 0.000 1.114 166 R CA 1.042 56.896 56.100 -0.411 0.000 0.972 166 R CB -0.028 29.997 30.300 -0.458 0.000 0.869 166 R HN 0.390 nan 8.270 nan 0.000 0.437 167 F N -0.502 119.441 119.950 -0.012 0.000 2.508 167 F HA 0.384 4.911 4.527 -0.000 0.000 0.325 167 F C -1.674 174.145 175.800 0.032 0.000 1.090 167 F CA -3.036 54.990 58.000 0.042 0.000 0.945 167 F CB 1.912 40.974 39.000 0.102 0.000 1.156 167 F HN -0.116 nan 8.300 nan 0.000 0.463 168 P HA -0.121 nan 4.420 nan 0.000 0.221 168 P C 0.085 177.490 177.300 0.175 0.000 1.155 168 P CA 1.259 64.449 63.100 0.150 0.000 0.812 168 P CB 0.222 31.994 31.700 0.121 0.000 0.801 169 H N 1.420 120.562 119.070 0.119 0.000 2.746 169 H HA 0.337 4.893 4.556 -0.000 0.000 0.269 169 H C -0.492 174.889 175.328 0.088 0.000 1.248 169 H CA -0.438 55.653 56.048 0.071 0.000 1.258 169 H CB -0.003 29.768 29.762 0.014 0.000 1.441 169 H HN -0.049 nan 8.280 nan 0.000 0.508 170 R N 3.262 123.729 120.500 -0.055 0.000 2.320 170 R HA 0.431 4.771 4.340 -0.000 0.000 0.319 170 R C -0.082 176.166 176.300 -0.087 0.000 0.969 170 R CA -0.691 55.416 56.100 0.012 0.000 0.857 170 R CB 1.881 32.259 30.300 0.130 0.000 1.160 170 R HN 0.588 nan 8.270 nan 0.000 0.491 171 G N 1.910 110.660 108.800 -0.084 0.000 2.816 171 G HA2 0.649 4.609 3.960 -0.000 0.000 0.288 171 G HA3 0.649 4.609 3.960 -0.000 0.000 0.288 171 G C -1.683 173.207 174.900 -0.017 0.000 1.334 171 G CA -0.449 44.610 45.100 -0.068 0.000 0.978 171 G HN 0.293 nan 8.290 nan 0.000 0.493 172 L N 0.233 121.463 121.223 0.012 0.000 2.455 172 L HA 0.669 5.009 4.340 -0.000 0.000 0.264 172 L C -1.611 175.241 176.870 -0.030 0.000 0.968 172 L CA -0.737 54.090 54.840 -0.022 0.000 0.827 172 L CB 1.691 43.767 42.059 0.028 0.000 1.317 172 L HN 0.610 nan 8.230 nan 0.000 0.407 173 L N 4.880 126.004 121.223 -0.165 0.000 2.296 173 L HA 0.500 4.840 4.340 -0.000 0.000 0.286 173 L C -1.527 175.186 176.870 -0.261 0.000 1.023 173 L CA -0.645 54.053 54.840 -0.237 0.000 0.812 173 L CB 1.489 43.276 42.059 -0.454 0.000 1.223 173 L HN 0.584 nan 8.230 nan 0.000 0.421 174 L N 4.738 125.852 121.223 -0.182 0.000 2.305 174 L HA 0.389 4.729 4.340 -0.000 0.000 0.284 174 L C -0.627 176.193 176.870 -0.084 0.000 1.013 174 L CA -0.169 54.603 54.840 -0.112 0.000 0.819 174 L CB 1.416 43.507 42.059 0.053 0.000 1.227 174 L HN 0.515 nan 8.230 nan 0.000 0.417 175 D N 1.351 121.712 120.400 -0.064 0.000 2.411 175 D HA 0.187 4.827 4.640 -0.000 0.000 0.225 175 D C 0.640 177.061 176.300 0.202 0.000 1.156 175 D CA -0.092 53.977 54.000 0.115 0.000 0.874 175 D CB 0.873 41.767 40.800 0.157 0.000 1.034 175 D HN 0.559 nan 8.370 nan 0.000 0.502 176 T N -0.015 114.699 114.554 0.266 0.000 3.251 176 T HA 0.171 4.521 4.350 -0.000 0.000 0.259 176 T C 1.062 175.976 174.700 0.356 0.000 0.998 176 T CA -0.301 62.006 62.100 0.344 0.000 0.905 176 T CB 0.284 69.450 68.868 0.496 0.000 1.067 176 T HN 0.149 nan 8.240 nan 0.000 0.569 177 S N 0.888 116.748 115.700 0.268 0.000 2.877 177 S HA 0.190 4.660 4.470 -0.000 0.000 0.230 177 S C 1.929 176.625 174.600 0.158 0.000 0.999 177 S CA -0.241 58.063 58.200 0.174 0.000 0.866 177 S CB 0.016 63.282 63.200 0.109 0.000 0.819 177 S HN 0.316 nan 8.310 nan 0.000 0.607 178 R N 0.612 121.233 120.500 0.201 0.000 2.200 178 R HA 0.163 4.503 4.340 -0.000 0.000 0.234 178 R C -0.124 176.234 176.300 0.096 0.000 1.127 178 R CA 1.152 57.340 56.100 0.146 0.000 0.989 178 R CB -0.392 30.011 30.300 0.172 0.000 0.869 178 R HN 0.535 nan 8.270 nan 0.000 0.459 179 H N -3.268 116.004 119.070 0.336 0.000 3.029 179 H HA 0.188 4.744 4.556 -0.000 0.000 0.358 179 H C -1.672 173.914 175.328 0.430 0.000 1.129 179 H CA -0.924 55.365 56.048 0.401 0.000 1.230 179 H CB 1.131 31.036 29.762 0.238 0.000 1.827 179 H HN -0.045 nan 8.280 nan 0.000 0.530 180 Y N 3.286 123.904 120.300 0.529 0.000 2.359 180 Y HA 0.381 4.931 4.550 -0.000 0.000 0.330 180 Y C -1.030 175.058 175.900 0.312 0.000 1.143 180 Y CA -0.328 58.028 58.100 0.426 0.000 1.318 180 Y CB 0.496 39.255 38.460 0.499 0.000 1.234 180 Y HN 0.461 nan 8.280 nan 0.000 0.522 181 L N 9.252 130.249 121.223 -0.377 0.000 2.319 181 L HA 0.418 4.758 4.340 -0.000 0.000 0.281 181 L C -2.316 174.256 176.870 -0.496 0.000 1.005 181 L CA -2.273 52.404 54.840 -0.271 0.000 0.828 181 L CB 1.551 43.563 42.059 -0.079 0.000 1.227 181 L HN 0.568 nan 8.230 nan 0.000 0.415 182 P HA -0.087 nan 4.420 nan 0.000 0.267 182 P C 0.658 177.925 177.300 -0.055 0.000 1.201 182 P CA -0.256 62.786 63.100 -0.098 0.000 0.775 182 P CB 0.747 32.446 31.700 -0.001 0.000 0.854 183 L N 3.363 124.606 121.223 0.033 0.000 2.079 183 L HA -0.231 4.108 4.340 -0.000 0.000 0.210 183 L C 2.125 178.918 176.870 -0.129 0.000 1.081 183 L CA 2.528 57.367 54.840 -0.002 0.000 0.752 183 L CB -1.492 40.597 42.059 0.050 0.000 0.896 183 L HN 0.448 nan 8.230 nan 0.000 0.433 184 S N -2.193 113.446 115.700 -0.102 0.000 2.382 184 S HA -0.175 4.295 4.470 -0.000 0.000 0.228 184 S C 1.996 176.502 174.600 -0.157 0.000 1.027 184 S CA 1.317 59.437 58.200 -0.133 0.000 0.991 184 S CB -0.894 62.261 63.200 -0.074 0.000 0.823 184 S HN 0.516 nan 8.310 nan 0.000 0.469 185 S N 2.261 117.884 115.700 -0.128 0.000 2.368 185 S HA 0.099 4.569 4.470 -0.000 0.000 0.225 185 S C 1.815 176.298 174.600 -0.195 0.000 1.030 185 S CA 1.417 59.542 58.200 -0.125 0.000 0.999 185 S CB -0.562 62.583 63.200 -0.092 0.000 0.844 185 S HN 0.546 nan 8.310 nan 0.000 0.459 186 I N 1.427 121.833 120.570 -0.273 0.000 2.315 186 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 186 I C 1.922 177.743 176.117 -0.493 0.000 1.117 186 I CA 1.024 62.062 61.300 -0.436 0.000 1.404 186 I CB -0.421 37.244 38.000 -0.558 0.000 1.071 186 I HN 0.230 nan 8.210 nan 0.000 0.419 187 L N 0.142 121.080 121.223 -0.475 0.000 2.156 187 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 187 L C 2.013 178.679 176.870 -0.340 0.000 1.095 187 L CA 0.989 55.444 54.840 -0.641 0.000 0.770 187 L CB -0.676 40.810 42.059 -0.955 0.000 0.914 187 L HN 0.221 nan 8.230 nan 0.000 0.439 188 D N -0.309 119.951 120.400 -0.234 0.000 2.117 188 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 188 D C 2.204 178.435 176.300 -0.115 0.000 0.982 188 D CA 1.494 55.416 54.000 -0.130 0.000 0.828 188 D CB -0.219 40.531 40.800 -0.084 0.000 0.967 188 D HN 0.179 nan 8.370 nan 0.000 0.464 189 T N 1.038 115.526 114.554 -0.110 0.000 2.788 189 T HA -0.067 4.283 4.350 -0.000 0.000 0.268 189 T C 2.173 176.819 174.700 -0.090 0.000 1.044 189 T CA 0.518 62.614 62.100 -0.007 0.000 1.139 189 T CB -0.210 68.620 68.868 -0.064 0.000 0.867 189 T HN 0.127 nan 8.240 nan 0.000 0.454 190 L N 0.789 121.884 121.223 -0.213 0.000 2.093 190 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 190 L C 2.496 179.251 176.870 -0.192 0.000 1.085 190 L CA 1.093 55.824 54.840 -0.182 0.000 0.755 190 L CB -0.541 41.450 42.059 -0.114 0.000 0.904 190 L HN 0.154 nan 8.230 nan 0.000 0.435 191 D N -0.217 120.053 120.400 -0.216 0.000 2.104 191 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 191 D C 2.271 177.985 176.300 -0.978 0.000 0.994 191 D CA 1.316 55.021 54.000 -0.492 0.000 0.830 191 D CB -0.201 40.400 40.800 -0.331 0.000 0.959 191 D HN 0.133 nan 8.370 nan 0.000 0.452 192 V N 0.777 120.287 119.914 -0.673 0.000 2.548 192 V HA -0.173 3.947 4.120 -0.000 0.000 0.249 192 V C 2.486 178.227 176.094 -0.589 0.000 1.055 192 V CA 1.013 62.869 62.300 -0.741 0.000 1.065 192 V CB -0.439 30.721 31.823 -1.106 0.000 0.681 192 V HN 0.171 nan 8.190 nan 0.000 0.462 193 M N 0.244 119.674 119.600 -0.283 0.000 2.149 193 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 193 M C 2.348 178.594 176.300 -0.090 0.000 1.064 193 M CA 2.066 57.349 55.300 -0.029 0.000 1.102 193 M CB -0.496 32.136 32.600 0.053 0.000 1.369 193 M HN 0.425 nan 8.290 nan 0.000 0.408 194 A N -0.452 122.231 122.820 -0.229 0.000 1.930 194 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 194 A C 1.719 179.265 177.584 -0.062 0.000 1.175 194 A CA 1.287 53.224 52.037 -0.167 0.000 0.627 194 A CB -0.868 17.985 19.000 -0.246 0.000 0.815 194 A HN 0.454 nan 8.150 nan 0.000 0.443 195 Y N 0.606 120.877 120.300 -0.050 0.000 2.224 195 Y HA -0.112 4.438 4.550 -0.000 0.000 0.289 195 Y C 2.048 177.953 175.900 0.007 0.000 1.146 195 Y CA 0.908 59.019 58.100 0.018 0.000 1.182 195 Y CB -0.683 37.799 38.460 0.038 0.000 0.983 195 Y HN 0.389 nan 8.280 nan 0.000 0.524 196 N N 0.447 119.223 118.700 0.126 0.000 2.398 196 N HA -0.024 4.716 4.740 -0.000 0.000 0.188 196 N C -0.180 175.332 175.510 0.003 0.000 1.122 196 N CA 0.224 53.335 53.050 0.101 0.000 0.866 196 N CB 0.065 38.700 38.487 0.247 0.000 0.970 196 N HN 0.250 nan 8.380 nan 0.000 0.462 197 K N 0.497 120.873 120.400 -0.041 0.000 3.162 197 K HA -0.160 4.160 4.320 -0.000 0.000 0.268 197 K C -1.211 175.445 176.600 0.095 0.000 1.062 197 K CA 0.266 56.514 56.287 -0.065 0.000 0.769 197 K CB -1.217 31.039 32.500 -0.405 0.000 1.274 197 K HN 0.067 nan 8.250 nan 0.000 0.478 198 L N 1.460 122.739 121.223 0.093 0.000 2.295 198 L HA 0.248 4.588 4.340 -0.000 0.000 0.285 198 L C 1.092 178.004 176.870 0.070 0.000 1.035 198 L CA -0.031 54.873 54.840 0.108 0.000 0.806 198 L CB 1.312 43.447 42.059 0.126 0.000 1.214 198 L HN 0.268 nan 8.230 nan 0.000 0.426 199 N N 1.413 120.141 118.700 0.046 0.000 2.235 199 N HA 0.137 4.877 4.740 -0.000 0.000 0.231 199 N C -0.972 174.510 175.510 -0.048 0.000 1.177 199 N CA -0.082 52.967 53.050 -0.002 0.000 0.874 199 N CB 0.645 39.131 38.487 -0.003 0.000 1.097 199 N HN 0.181 nan 8.380 nan 0.000 0.518 200 V N 1.456 121.342 119.914 -0.047 0.000 2.524 200 V HA 0.387 4.507 4.120 -0.000 0.000 0.297 200 V C -1.558 174.588 176.094 0.087 0.000 1.035 200 V CA -0.923 61.340 62.300 -0.061 0.000 0.867 200 V CB 1.553 33.164 31.823 -0.352 0.000 1.004 200 V HN 0.146 nan 8.190 nan 0.000 0.426 201 F N 4.931 124.867 119.950 -0.024 0.000 2.313 201 F HA 0.427 4.954 4.527 -0.000 0.000 0.369 201 F C 0.341 176.156 175.800 0.025 0.000 1.109 201 F CA -0.599 57.391 58.000 -0.017 0.000 1.132 201 F CB 0.308 39.284 39.000 -0.040 0.000 1.291 201 F HN 0.658 nan 8.300 nan 0.000 0.496 202 H N 7.035 125.861 119.070 -0.406 0.000 3.118 202 H HA -0.000 4.556 4.556 -0.000 0.000 0.266 202 H C -0.811 174.106 175.328 -0.686 0.000 1.465 202 H CA -0.164 55.615 56.048 -0.449 0.000 1.460 202 H CB 0.082 29.665 29.762 -0.298 0.000 1.661 202 H HN 0.689 nan 8.280 nan 0.000 0.516 203 W N 6.772 127.335 121.300 -1.229 0.000 2.437 203 W HA 0.066 4.726 4.660 -0.000 0.000 0.312 203 W C -0.264 175.812 176.519 -0.739 0.000 1.242 203 W CA -0.496 56.203 57.345 -1.076 0.000 1.340 203 W CB -0.517 28.385 29.460 -0.930 0.000 1.327 203 W HN 0.593 nan 8.180 nan 0.000 0.476 204 H N 7.425 126.385 119.070 -0.183 0.000 2.702 204 H HA 0.086 4.642 4.556 -0.000 0.000 0.252 204 H C 0.747 176.001 175.328 -0.123 0.000 1.493 204 H CA -0.227 55.694 56.048 -0.211 0.000 1.273 204 H CB 0.337 30.055 29.762 -0.074 0.000 1.537 204 H HN 0.353 nan 8.280 nan 0.000 0.547 205 L N 4.108 124.939 121.223 -0.654 0.000 1.976 205 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 205 L C 1.124 177.770 176.870 -0.372 0.000 1.071 205 L CA 1.295 55.780 54.840 -0.590 0.000 0.746 205 L CB -0.586 40.832 42.059 -1.067 0.000 0.890 205 L HN 0.371 nan 8.230 nan 0.000 0.432 206 V N -4.591 114.997 119.914 -0.543 0.000 3.019 206 V HA 0.629 4.749 4.120 -0.000 0.000 0.317 206 V C -0.321 175.656 176.094 -0.195 0.000 1.094 206 V CA -0.651 61.456 62.300 -0.323 0.000 1.000 206 V CB 2.373 33.889 31.823 -0.511 0.000 1.060 206 V HN 0.239 nan 8.190 nan 0.000 0.443 207 D N -0.124 120.325 120.400 0.082 0.000 2.295 207 D HA 0.142 4.782 4.640 -0.000 0.000 0.088 207 D C 0.188 176.662 176.300 0.289 0.000 1.406 207 D CA 0.482 54.618 54.000 0.226 0.000 1.347 207 D CB 0.895 41.859 40.800 0.274 0.000 2.470 207 D HN 0.571 nan 8.370 nan 0.000 0.195 208 D N -0.252 120.284 120.400 0.226 0.000 3.161 208 D HA 0.186 4.826 4.640 -0.000 0.000 0.287 208 D C -1.480 174.884 176.300 0.106 0.000 1.343 208 D CA 0.723 54.828 54.000 0.175 0.000 1.070 208 D CB -0.519 40.373 40.800 0.152 0.000 1.188 208 D HN 0.201 nan 8.370 nan 0.000 0.409 209 P HA 0.194 nan 4.420 nan 0.000 0.249 209 P C -0.446 176.724 177.300 -0.217 0.000 1.229 209 P CA 0.568 63.653 63.100 -0.024 0.000 0.788 209 P CB 0.689 32.403 31.700 0.024 0.000 1.072 210 S N -0.650 114.945 115.700 -0.175 0.000 2.579 210 S HA 0.580 5.050 4.470 -0.000 0.000 0.272 210 S C -1.527 173.079 174.600 0.010 0.000 1.141 210 S CA -0.308 57.725 58.200 -0.279 0.000 0.843 210 S CB 1.397 64.268 63.200 -0.548 0.000 1.122 210 S HN -0.051 nan 8.310 nan 0.000 0.468 211 F N 3.149 123.034 119.950 -0.108 0.000 2.971 211 F HA 0.421 4.948 4.527 -0.000 0.000 0.373 211 F C -2.638 173.187 175.800 0.041 0.000 1.288 211 F CA -1.759 56.221 58.000 -0.033 0.000 1.204 211 F CB 1.538 40.467 39.000 -0.118 0.000 1.852 211 F HN 0.304 nan 8.300 nan 0.000 0.624 212 P HA -0.088 nan 4.420 nan 0.000 0.224 212 P C -0.058 177.467 177.300 0.375 0.000 1.157 212 P CA 0.785 64.053 63.100 0.280 0.000 0.799 212 P CB -0.086 31.859 31.700 0.408 0.000 0.809 213 Y N 2.228 122.662 120.300 0.224 0.000 2.632 213 Y HA 0.025 4.575 4.550 -0.000 0.000 0.329 213 Y C 0.681 176.776 175.900 0.324 0.000 1.174 213 Y CA -0.436 57.808 58.100 0.240 0.000 1.469 213 Y CB -0.004 38.515 38.460 0.099 0.000 1.242 213 Y HN -0.103 nan 8.280 nan 0.000 0.540 214 E N 5.002 124.970 120.200 -0.386 0.000 2.130 214 E HA 0.249 4.599 4.350 -0.000 0.000 0.284 214 E C -1.060 175.237 176.600 -0.505 0.000 1.018 214 E CA -0.421 55.817 56.400 -0.270 0.000 0.817 214 E CB 0.730 30.347 29.700 -0.138 0.000 1.078 214 E HN 0.597 nan 8.360 nan 0.000 0.396 215 S N 3.762 119.392 115.700 -0.117 0.000 2.509 215 S HA 0.276 4.746 4.470 -0.000 0.000 0.297 215 S C 0.414 174.993 174.600 -0.033 0.000 1.118 215 S CA -0.776 57.387 58.200 -0.062 0.000 1.074 215 S CB 0.431 63.744 63.200 0.189 0.000 1.038 215 S HN 0.579 nan 8.310 nan 0.000 0.498 216 F N 2.167 122.084 119.950 -0.054 0.000 2.387 216 F HA 0.159 4.686 4.527 -0.000 0.000 0.294 216 F C 2.266 178.005 175.800 -0.101 0.000 1.093 216 F CA 0.793 58.749 58.000 -0.073 0.000 1.420 216 F CB -1.380 37.568 39.000 -0.088 0.000 1.086 216 F HN 0.593 nan 8.300 nan 0.000 0.531 217 T N -2.171 112.034 114.554 -0.581 0.000 2.915 217 T HA -0.010 4.340 4.350 -0.000 0.000 0.269 217 T C 0.203 174.479 174.700 -0.706 0.000 1.071 217 T CA 0.770 62.538 62.100 -0.554 0.000 1.132 217 T CB -0.769 67.734 68.868 -0.608 0.000 0.878 217 T HN 0.220 nan 8.240 nan 0.000 0.479 218 F N 2.245 122.161 119.950 -0.057 0.000 2.872 218 F HA 0.377 4.904 4.527 -0.000 0.000 0.365 218 F C -2.562 173.226 175.800 -0.019 0.000 1.296 218 F CA -2.517 55.494 58.000 0.019 0.000 1.199 218 F CB 1.990 41.067 39.000 0.127 0.000 1.687 218 F HN -0.049 nan 8.300 nan 0.000 0.604 219 P HA 0.141 nan 4.420 nan 0.000 0.235 219 P C 0.130 177.437 177.300 0.012 0.000 1.725 219 P CA 0.449 63.571 63.100 0.037 0.000 0.894 219 P CB 0.596 32.310 31.700 0.024 0.000 1.704 220 E N -0.271 119.931 120.200 0.003 0.000 2.441 220 E HA 0.043 4.393 4.350 -0.000 0.000 0.207 220 E C 1.716 178.225 176.600 -0.152 0.000 0.803 220 E CA 0.465 56.836 56.400 -0.048 0.000 1.240 220 E CB -0.405 29.287 29.700 -0.015 0.000 1.233 220 E HN 0.164 nan 8.360 nan 0.000 0.590 221 L N -0.112 120.954 121.223 -0.261 0.000 2.275 221 L HA 0.087 4.427 4.340 -0.000 0.000 0.215 221 L C 2.166 178.645 176.870 -0.652 0.000 1.119 221 L CA 1.465 55.962 54.840 -0.573 0.000 0.790 221 L CB -0.966 40.535 42.059 -0.931 0.000 0.919 221 L HN 0.047 nan 8.230 nan 0.000 0.443 222 M N 1.304 120.691 119.600 -0.355 0.000 2.325 222 M HA -0.015 4.465 4.480 -0.000 0.000 0.265 222 M C 2.436 178.716 176.300 -0.032 0.000 1.094 222 M CA 1.443 56.702 55.300 -0.069 0.000 1.161 222 M CB -0.262 32.393 32.600 0.092 0.000 1.358 222 M HN 0.560 nan 8.290 nan 0.000 0.446 223 R N -0.088 120.379 120.500 -0.055 0.000 2.193 223 R HA -0.012 4.328 4.340 -0.000 0.000 0.213 223 R C 0.935 177.206 176.300 -0.048 0.000 1.055 223 R CA 0.879 56.958 56.100 -0.036 0.000 0.995 223 R CB -0.289 29.994 30.300 -0.028 0.000 0.893 223 R HN 0.302 nan 8.270 nan 0.000 0.459 224 K N 0.282 120.632 120.400 -0.083 0.000 2.455 224 K HA 0.211 4.531 4.320 -0.000 0.000 0.206 224 K C 0.673 177.216 176.600 -0.095 0.000 1.027 224 K CA 0.234 56.472 56.287 -0.083 0.000 1.113 224 K CB 1.593 34.036 32.500 -0.095 0.000 0.850 224 K HN 0.402 nan 8.250 nan 0.000 0.503 225 G N 0.643 109.390 108.800 -0.088 0.000 2.687 225 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.201 225 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.201 225 G C 0.345 175.239 174.900 -0.010 0.000 1.211 225 G CA -0.140 44.926 45.100 -0.057 0.000 0.637 225 G HN 0.250 nan 8.290 nan 0.000 0.900 226 S N 0.099 115.809 115.700 0.016 0.000 2.579 226 S HA 0.216 4.685 4.470 -0.000 0.000 0.275 226 S C 1.041 175.614 174.600 -0.046 0.000 1.345 226 S CA -0.408 57.782 58.200 -0.016 0.000 1.031 226 S CB 0.773 63.997 63.200 0.040 0.000 0.892 226 S HN 0.196 nan 8.310 nan 0.000 0.529 227 Y N 1.939 122.192 120.300 -0.077 0.000 2.139 227 Y HA -0.098 4.452 4.550 -0.000 0.000 0.282 227 Y C 1.433 177.206 175.900 -0.212 0.000 1.179 227 Y CA 1.713 59.693 58.100 -0.200 0.000 1.161 227 Y CB -0.525 37.685 38.460 -0.415 0.000 0.970 227 Y HN 0.856 nan 8.280 nan 0.000 0.511 228 N N -1.067 117.621 118.700 -0.021 0.000 2.425 228 N HA 0.182 4.922 4.740 -0.000 0.000 0.289 228 N C -2.438 173.075 175.510 0.005 0.000 1.074 228 N CA -1.563 51.485 53.050 -0.005 0.000 0.905 228 N CB 1.828 40.340 38.487 0.040 0.000 1.586 228 N HN -0.352 nan 8.380 nan 0.000 0.490 229 P HA -0.124 nan 4.420 nan 0.000 0.226 229 P C 0.789 178.080 177.300 -0.014 0.000 1.146 229 P CA 1.184 64.280 63.100 -0.007 0.000 0.773 229 P CB 0.284 31.979 31.700 -0.008 0.000 0.772 230 V N -4.432 115.473 119.914 -0.015 0.000 3.165 230 V HA 0.079 4.199 4.120 -0.000 0.000 0.231 230 V C 2.262 178.317 176.094 -0.065 0.000 1.365 230 V CA 0.970 63.252 62.300 -0.029 0.000 1.286 230 V CB -0.990 30.824 31.823 -0.015 0.000 1.081 230 V HN 0.079 nan 8.190 nan 0.000 0.477 231 T N -1.604 112.923 114.554 -0.045 0.000 3.055 231 T HA 0.040 4.390 4.350 -0.000 0.000 0.265 231 T C 0.773 175.180 174.700 -0.490 0.000 1.111 231 T CA 1.524 63.541 62.100 -0.139 0.000 1.118 231 T CB -0.580 68.266 68.868 -0.038 0.000 0.909 231 T HN 0.663 nan 8.240 nan 0.000 0.501 232 H N 0.713 119.453 119.070 -0.550 0.000 2.429 232 H HA 0.519 5.075 4.556 -0.000 0.000 0.237 232 H C -0.737 174.015 175.328 -0.960 0.000 1.378 232 H CA -0.882 54.403 56.048 -1.272 0.000 1.170 232 H CB -0.052 29.303 29.762 -0.678 0.000 1.671 232 H HN 0.252 nan 8.280 nan 0.000 0.541 233 I N 0.477 120.707 120.570 -0.567 0.000 2.785 233 I HA 0.224 4.394 4.170 -0.000 0.000 0.302 233 I C -0.527 175.534 176.117 -0.092 0.000 1.069 233 I CA -0.993 60.197 61.300 -0.184 0.000 1.045 233 I CB 1.712 39.673 38.000 -0.066 0.000 1.236 233 I HN 0.276 nan 8.210 nan 0.000 0.429 234 Y N 2.648 123.117 120.300 0.281 0.000 2.587 234 Y HA 0.311 4.861 4.550 -0.000 0.000 0.328 234 Y C 0.903 176.859 175.900 0.092 0.000 0.980 234 Y CA -0.598 57.665 58.100 0.271 0.000 1.272 234 Y CB 1.402 40.091 38.460 0.383 0.000 1.094 234 Y HN 0.461 nan 8.280 nan 0.000 0.503 235 T N 1.148 115.822 114.554 0.200 0.000 2.813 235 T HA 0.109 4.459 4.350 -0.000 0.000 0.297 235 T C 1.462 176.198 174.700 0.061 0.000 1.036 235 T CA 0.253 62.399 62.100 0.076 0.000 1.044 235 T CB 1.183 70.089 68.868 0.064 0.000 0.993 235 T HN 0.814 nan 8.240 nan 0.000 0.535 236 A N 0.691 123.510 122.820 -0.002 0.000 2.019 236 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 236 A C 2.236 179.836 177.584 0.027 0.000 1.164 236 A CA 1.655 53.691 52.037 -0.002 0.000 0.644 236 A CB -0.648 18.343 19.000 -0.014 0.000 0.805 236 A HN 0.734 nan 8.150 nan 0.000 0.449 237 Q N 0.310 120.134 119.800 0.040 0.000 2.096 237 Q HA -0.121 4.219 4.340 -0.000 0.000 0.197 237 Q C 1.241 177.294 176.000 0.088 0.000 0.964 237 Q CA 1.906 57.738 55.803 0.048 0.000 0.838 237 Q CB -0.258 28.503 28.738 0.038 0.000 0.906 237 Q HN 0.581 nan 8.270 nan 0.000 0.444 238 D N -0.647 119.835 120.400 0.137 0.000 2.097 238 D HA -0.132 4.508 4.640 -0.000 0.000 0.195 238 D C 1.860 178.304 176.300 0.239 0.000 0.989 238 D CA 1.490 55.612 54.000 0.204 0.000 0.827 238 D CB -0.213 40.786 40.800 0.331 0.000 0.966 238 D HN 0.181 nan 8.370 nan 0.000 0.456 239 V N 1.747 121.810 119.914 0.248 0.000 2.427 239 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 239 V C 2.346 178.527 176.094 0.145 0.000 1.051 239 V CA 1.835 64.293 62.300 0.263 0.000 1.048 239 V CB -0.606 31.300 31.823 0.138 0.000 0.666 239 V HN 0.360 nan 8.190 nan 0.000 0.456 240 K N 0.320 120.764 120.400 0.073 0.000 2.288 240 K HA -0.119 4.201 4.320 -0.000 0.000 0.201 240 K C 1.688 178.338 176.600 0.083 0.000 1.048 240 K CA 1.557 57.871 56.287 0.045 0.000 0.956 240 K CB -0.167 32.344 32.500 0.017 0.000 0.746 240 K HN 0.492 nan 8.250 nan 0.000 0.461 241 E N 1.061 121.321 120.200 0.100 0.000 2.122 241 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 241 E C 2.035 178.707 176.600 0.119 0.000 0.977 241 E CA 0.684 57.145 56.400 0.102 0.000 0.820 241 E CB 0.111 29.855 29.700 0.074 0.000 0.770 241 E HN 0.073 nan 8.360 nan 0.000 0.462 242 V N 1.779 121.762 119.914 0.115 0.000 2.392 242 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 242 V C 2.201 178.394 176.094 0.166 0.000 1.059 242 V CA 1.537 63.888 62.300 0.084 0.000 1.051 242 V CB -0.388 31.514 31.823 0.131 0.000 0.658 242 V HN 0.262 nan 8.190 nan 0.000 0.455 243 I N -0.121 120.572 120.570 0.205 0.000 2.202 243 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 243 I C 2.612 178.820 176.117 0.152 0.000 1.091 243 I CA 1.758 63.177 61.300 0.197 0.000 1.368 243 I CB -0.352 37.746 38.000 0.163 0.000 1.058 243 I HN 0.321 nan 8.210 nan 0.000 0.410 244 E N 0.647 120.928 120.200 0.135 0.000 2.072 244 E HA -0.261 4.089 4.350 -0.000 0.000 0.191 244 E C 2.124 178.794 176.600 0.115 0.000 0.985 244 E CA 1.422 57.891 56.400 0.113 0.000 0.801 244 E CB -0.444 29.312 29.700 0.094 0.000 0.750 244 E HN 0.461 nan 8.360 nan 0.000 0.452 245 Y N 0.168 120.472 120.300 0.006 0.000 2.181 245 Y HA -0.188 4.362 4.550 -0.000 0.000 0.288 245 Y C 2.131 178.008 175.900 -0.039 0.000 1.146 245 Y CA 2.066 60.148 58.100 -0.030 0.000 1.164 245 Y CB -0.450 37.971 38.460 -0.065 0.000 0.982 245 Y HN 0.163 nan 8.280 nan 0.000 0.515 246 A N 0.088 123.000 122.820 0.153 0.000 1.929 246 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 246 A C 2.317 179.926 177.584 0.041 0.000 1.176 246 A CA 1.422 53.500 52.037 0.068 0.000 0.628 246 A CB -0.696 18.351 19.000 0.077 0.000 0.816 246 A HN 0.498 nan 8.150 nan 0.000 0.444 247 R N -0.201 120.343 120.500 0.073 0.000 2.096 247 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 247 R C 1.623 178.026 176.300 0.171 0.000 1.127 247 R CA 1.393 57.557 56.100 0.107 0.000 0.968 247 R CB -0.379 30.001 30.300 0.134 0.000 0.861 247 R HN 0.522 nan 8.270 nan 0.000 0.440 248 L N -0.007 121.253 121.223 0.062 0.000 2.456 248 L HA -0.062 4.278 4.340 -0.000 0.000 0.224 248 L C 1.518 178.392 176.870 0.007 0.000 1.148 248 L CA 1.027 55.874 54.840 0.011 0.000 0.825 248 L CB -0.020 41.969 42.059 -0.117 0.000 0.937 248 L HN 0.107 nan 8.230 nan 0.000 0.450 249 R N -0.582 119.926 120.500 0.012 0.000 2.577 249 R HA 0.236 4.576 4.340 -0.000 0.000 0.344 249 R C 0.860 177.211 176.300 0.085 0.000 1.037 249 R CA 0.342 56.447 56.100 0.008 0.000 1.102 249 R CB 0.894 31.132 30.300 -0.103 0.000 1.313 249 R HN 0.181 nan 8.270 nan 0.000 0.561 250 G N 1.898 110.804 108.800 0.176 0.000 2.323 250 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.292 250 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.292 250 G C -0.048 174.779 174.900 -0.123 0.000 1.040 250 G CA 0.156 45.268 45.100 0.021 0.000 0.942 250 G HN 0.300 nan 8.290 nan 0.000 0.506 251 I N -0.099 120.421 120.570 -0.084 0.000 2.382 251 I HA 0.361 4.531 4.170 -0.000 0.000 0.286 251 I C 0.757 176.864 176.117 -0.017 0.000 1.002 251 I CA -0.941 60.334 61.300 -0.040 0.000 1.135 251 I CB 1.419 39.422 38.000 0.006 0.000 1.288 251 I HN 0.032 nan 8.210 nan 0.000 0.448 252 R N 4.630 125.118 120.500 -0.021 0.000 2.389 252 R HA 0.405 4.745 4.340 -0.000 0.000 0.295 252 R C -0.777 175.608 176.300 0.141 0.000 1.075 252 R CA -0.480 55.644 56.100 0.040 0.000 1.005 252 R CB 1.194 31.510 30.300 0.026 0.000 0.987 252 R HN 0.348 nan 8.270 nan 0.000 0.452 253 V N 5.739 125.777 119.914 0.206 0.000 2.406 253 V HA 0.227 4.347 4.120 -0.000 0.000 0.272 253 V C -0.042 176.158 176.094 0.177 0.000 1.043 253 V CA -0.471 62.004 62.300 0.292 0.000 0.915 253 V CB 1.132 33.222 31.823 0.444 0.000 0.988 253 V HN 0.580 nan 8.190 nan 0.000 0.466 254 L N 5.336 126.572 121.223 0.021 0.000 2.316 254 L HA 0.815 5.155 4.340 -0.000 0.000 0.280 254 L C 0.332 176.974 176.870 -0.381 0.000 1.006 254 L CA -0.343 54.440 54.840 -0.096 0.000 0.836 254 L CB 1.145 43.208 42.059 0.006 0.000 1.221 254 L HN 0.726 nan 8.230 nan 0.000 0.418 255 A N 4.425 126.900 122.820 -0.576 0.000 2.316 255 A HA 0.489 4.809 4.320 -0.000 0.000 0.284 255 A C -0.439 176.761 177.584 -0.640 0.000 1.115 255 A CA -0.376 51.102 52.037 -0.931 0.000 0.812 255 A CB 0.824 18.747 19.000 -1.795 0.000 1.064 255 A HN 0.760 nan 8.150 nan 0.000 0.489 256 E N 1.742 121.483 120.200 -0.766 0.000 2.255 256 E HA 0.486 4.836 4.350 -0.000 0.000 0.256 256 E C -1.973 174.340 176.600 -0.478 0.000 0.887 256 E CA -0.301 55.887 56.400 -0.354 0.000 0.782 256 E CB 0.718 30.318 29.700 -0.166 0.000 1.214 256 E HN 0.492 nan 8.360 nan 0.000 0.417 257 F N 4.362 124.389 119.950 0.129 0.000 2.334 257 F HA 0.156 4.683 4.527 -0.000 0.000 0.343 257 F C 0.308 176.363 175.800 0.424 0.000 1.136 257 F CA -1.042 57.129 58.000 0.285 0.000 1.237 257 F CB 0.505 39.729 39.000 0.374 0.000 1.525 257 F HN 0.340 nan 8.300 nan 0.000 0.528 258 D N 1.142 121.822 120.400 0.466 0.000 2.424 258 D HA 0.280 4.920 4.640 -0.000 0.000 0.244 258 D C -0.051 176.387 176.300 0.229 0.000 1.134 258 D CA 0.027 54.288 54.000 0.435 0.000 0.881 258 D CB 1.562 42.685 40.800 0.539 0.000 1.191 258 D HN 0.424 nan 8.370 nan 0.000 0.445 259 T N -2.105 112.578 114.554 0.214 0.000 2.843 259 T HA 0.453 4.803 4.350 -0.000 0.000 0.302 259 T C -2.450 172.373 174.700 0.205 0.000 1.232 259 T CA -1.260 60.893 62.100 0.088 0.000 1.009 259 T CB 2.078 71.024 68.868 0.130 0.000 1.254 259 T HN 0.192 nan 8.240 nan 0.000 0.504 260 P HA 0.225 nan 4.420 nan 0.000 0.251 260 P C 0.887 178.075 177.300 -0.187 0.000 1.223 260 P CA 0.199 63.136 63.100 -0.271 0.000 0.796 260 P CB -0.218 31.101 31.700 -0.636 0.000 1.068 261 G N -0.541 108.194 108.800 -0.109 0.000 2.572 261 G HA2 0.150 4.110 3.960 -0.000 0.000 0.261 261 G HA3 0.150 4.110 3.960 -0.000 0.000 0.261 261 G C -0.788 174.090 174.900 -0.036 0.000 1.197 261 G CA -0.281 44.731 45.100 -0.146 0.000 0.870 261 G HN 0.254 nan 8.290 nan 0.000 0.548 262 H N -1.295 117.718 119.070 -0.096 0.000 2.680 262 H HA -0.195 4.361 4.556 -0.000 0.000 0.328 262 H C 0.974 176.292 175.328 -0.017 0.000 1.139 262 H CA 1.110 57.140 56.048 -0.030 0.000 1.124 262 H CB -1.199 28.574 29.762 0.019 0.000 1.584 262 H HN 0.730 nan 8.280 nan 0.000 0.410 263 T N -2.761 111.793 114.554 -0.000 0.000 3.475 263 T HA 0.142 4.492 4.350 -0.000 0.000 0.310 263 T C 0.829 175.596 174.700 0.111 0.000 0.963 263 T CA -0.462 61.592 62.100 -0.078 0.000 0.985 263 T CB 0.010 68.559 68.868 -0.531 0.000 1.198 263 T HN 0.366 nan 8.240 nan 0.000 0.508 264 L N 2.658 123.947 121.223 0.109 0.000 2.798 264 L HA 0.193 4.533 4.340 -0.000 0.000 0.254 264 L C 1.563 178.507 176.870 0.122 0.000 1.176 264 L CA 0.637 55.528 54.840 0.084 0.000 0.991 264 L CB -0.145 41.948 42.059 0.056 0.000 1.225 264 L HN 0.610 nan 8.230 nan 0.000 0.420 265 S N -4.149 111.712 115.700 0.268 0.000 2.628 265 S HA 0.016 4.486 4.470 -0.000 0.000 0.246 265 S C 0.830 175.547 174.600 0.195 0.000 1.062 265 S CA -0.628 57.718 58.200 0.242 0.000 1.028 265 S CB -0.310 63.088 63.200 0.331 0.000 0.985 265 S HN 0.442 nan 8.310 nan 0.000 0.551 266 W N 3.359 124.634 121.300 -0.041 0.000 3.047 266 W HA 0.495 5.155 4.660 -0.000 0.000 0.250 266 W C 2.090 178.409 176.519 -0.333 0.000 1.314 266 W CA -0.250 56.970 57.345 -0.208 0.000 1.540 266 W CB -0.883 28.511 29.460 -0.111 0.000 1.127 266 W HN 0.449 nan 8.180 nan 0.000 0.679 267 G N 2.289 111.045 108.800 -0.072 0.000 2.770 267 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.212 267 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.212 267 G C -1.674 173.067 174.900 -0.265 0.000 1.357 267 G CA 0.197 45.152 45.100 -0.242 0.000 0.837 267 G HN -0.115 nan 8.290 nan 0.000 0.610 268 P HA 0.138 nan 4.420 nan 0.000 0.256 268 P C 0.635 177.817 177.300 -0.196 0.000 1.173 268 P CA 1.681 64.666 63.100 -0.192 0.000 0.768 268 P CB 0.512 32.128 31.700 -0.141 0.000 0.758 269 G N 3.759 112.452 108.800 -0.178 0.000 3.131 269 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.198 269 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.198 269 G C -0.451 174.351 174.900 -0.163 0.000 1.435 269 G CA -0.026 44.974 45.100 -0.166 0.000 1.016 269 G HN 0.581 nan 8.290 nan 0.000 0.499 270 I N 4.291 124.703 120.570 -0.262 0.000 2.502 270 I HA 0.622 4.792 4.170 -0.000 0.000 0.276 270 I C -2.434 173.483 176.117 -0.332 0.000 1.057 270 I CA -3.234 57.873 61.300 -0.322 0.000 1.163 270 I CB 1.374 39.002 38.000 -0.620 0.000 1.288 270 I HN 0.021 nan 8.210 nan 0.000 0.479 271 P HA 0.391 nan 4.420 nan 0.000 0.274 271 P C 0.583 177.775 177.300 -0.180 0.000 1.237 271 P CA 0.292 63.273 63.100 -0.198 0.000 0.793 271 P CB 0.652 32.276 31.700 -0.126 0.000 0.977 272 G N 0.260 108.970 108.800 -0.150 0.000 2.160 272 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.251 272 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.251 272 G C 0.356 175.173 174.900 -0.138 0.000 1.008 272 G CA 0.315 45.355 45.100 -0.100 0.000 0.724 272 G HN 0.558 nan 8.290 nan 0.000 0.514 273 L N -0.708 120.392 121.223 -0.204 0.000 2.470 273 L HA 0.569 4.909 4.340 -0.000 0.000 0.219 273 L C 1.077 177.855 176.870 -0.152 0.000 1.071 273 L CA 0.792 55.495 54.840 -0.229 0.000 0.850 273 L CB 0.231 42.068 42.059 -0.372 0.000 1.040 273 L HN 0.271 nan 8.230 nan 0.000 0.475 274 L N 0.732 121.881 121.223 -0.123 0.000 2.313 274 L HA 0.364 4.704 4.340 -0.000 0.000 0.283 274 L C 0.067 177.022 176.870 0.141 0.000 1.013 274 L CA -0.781 54.050 54.840 -0.014 0.000 0.816 274 L CB 1.365 43.390 42.059 -0.057 0.000 1.236 274 L HN 0.106 nan 8.230 nan 0.000 0.419 275 T N 0.897 115.549 114.554 0.164 0.000 2.822 275 T HA 0.145 4.495 4.350 -0.000 0.000 0.288 275 T C -2.468 172.404 174.700 0.287 0.000 0.991 275 T CA -1.088 61.125 62.100 0.189 0.000 1.176 275 T CB -0.008 68.962 68.868 0.170 0.000 0.951 275 T HN 0.249 nan 8.240 nan 0.000 0.526 276 P HA 0.326 nan 4.420 nan 0.000 0.282 276 P C -0.174 177.113 177.300 -0.022 0.000 1.262 276 P CA -0.813 62.289 63.100 0.003 0.000 0.773 276 P CB 0.297 32.014 31.700 0.028 0.000 0.879 277 c N 3.519 122.000 118.600 -0.200 0.000 2.605 277 c HA 0.229 4.799 4.570 -0.000 0.000 0.404 277 c C 0.064 174.050 174.090 -0.174 0.000 1.284 277 c CA 0.177 56.459 56.329 -0.077 0.000 2.199 277 c CB -1.113 41.327 42.510 -0.117 0.000 2.647 277 c HN 0.513 nan 8.230 nan 0.000 0.604 278 Y N 1.286 121.555 120.300 -0.052 0.000 2.681 278 Y HA 0.205 4.755 4.550 -0.000 0.000 0.347 278 Y C 1.573 177.454 175.900 -0.031 0.000 1.029 278 Y CA -0.279 57.796 58.100 -0.040 0.000 1.279 278 Y CB 0.845 39.296 38.460 -0.015 0.000 1.096 278 Y HN 0.886 nan 8.280 nan 0.000 0.580 279 S N 0.087 115.807 115.700 0.033 0.000 2.374 279 S HA -0.136 4.334 4.470 -0.000 0.000 0.227 279 S C 1.417 176.046 174.600 0.048 0.000 1.037 279 S CA 1.709 59.921 58.200 0.020 0.000 1.024 279 S CB -0.097 63.091 63.200 -0.020 0.000 0.861 279 S HN 0.776 nan 8.310 nan 0.000 0.456 280 G N -0.397 108.446 108.800 0.073 0.000 2.736 280 G HA2 0.311 4.271 3.960 -0.000 0.000 0.152 280 G HA3 0.311 4.271 3.960 -0.000 0.000 0.152 280 G C 1.101 176.065 174.900 0.106 0.000 1.537 280 G CA 0.578 45.720 45.100 0.071 0.000 0.861 280 G HN 0.417 nan 8.290 nan 0.000 0.736 281 S N -0.244 115.515 115.700 0.098 0.000 2.444 281 S HA 0.267 4.736 4.470 -0.000 0.000 0.223 281 S C 0.500 175.225 174.600 0.208 0.000 1.054 281 S CA 0.565 58.835 58.200 0.117 0.000 0.947 281 S CB -0.112 63.128 63.200 0.066 0.000 0.850 281 S HN 0.260 nan 8.310 nan 0.000 0.527 282 E N 1.857 122.130 120.200 0.122 0.000 2.250 282 E HA 0.446 4.796 4.350 -0.000 0.000 0.265 282 E C -2.718 173.769 176.600 -0.189 0.000 1.033 282 E CA -2.918 53.512 56.400 0.050 0.000 0.888 282 E CB -0.061 29.630 29.700 -0.015 0.000 1.151 282 E HN 0.195 nan 8.360 nan 0.000 0.412 283 P HA -0.038 nan 4.420 nan 0.000 0.262 283 P C 0.625 177.631 177.300 -0.490 0.000 1.182 283 P CA 0.458 62.995 63.100 -0.939 0.000 0.761 283 P CB 0.478 31.770 31.700 -0.679 0.000 0.795 284 S N 3.283 118.715 115.700 -0.447 0.000 2.603 284 S HA 0.042 4.512 4.470 -0.000 0.000 0.229 284 S C 1.747 176.177 174.600 -0.284 0.000 0.972 284 S CA 1.071 59.108 58.200 -0.272 0.000 0.935 284 S CB -1.289 61.792 63.200 -0.198 0.000 0.769 284 S HN 0.767 nan 8.310 nan 0.000 0.536 285 G N 0.546 109.114 108.800 -0.386 0.000 2.328 285 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.256 285 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.256 285 G C 0.442 175.048 174.900 -0.491 0.000 1.014 285 G CA 0.954 45.839 45.100 -0.360 0.000 0.620 285 G HN 1.065 nan 8.290 nan 0.000 0.530 286 T N -1.341 112.930 114.554 -0.472 0.000 2.912 286 T HA 0.754 5.104 4.350 -0.000 0.000 0.280 286 T C -0.220 174.086 174.700 -0.656 0.000 0.989 286 T CA -0.575 61.294 62.100 -0.386 0.000 0.995 286 T CB 1.942 70.710 68.868 -0.167 0.000 1.077 286 T HN 0.477 nan 8.240 nan 0.000 0.531 287 F N -1.073 118.857 119.950 -0.034 0.000 2.588 287 F HA 0.725 5.252 4.527 -0.000 0.000 0.314 287 F C 0.840 176.630 175.800 -0.017 0.000 1.069 287 F CA -0.770 57.219 58.000 -0.018 0.000 0.931 287 F CB 2.191 41.178 39.000 -0.020 0.000 1.260 287 F HN 1.013 nan 8.300 nan 0.000 0.465 288 G N 0.379 109.300 108.800 0.202 0.000 3.039 288 G HA2 0.663 4.623 3.960 -0.000 0.000 0.159 288 G HA3 0.663 4.623 3.960 -0.000 0.000 0.159 288 G C -2.861 172.094 174.900 0.091 0.000 1.284 288 G CA -1.600 43.557 45.100 0.095 0.000 0.996 288 G HN 0.317 nan 8.290 nan 0.000 0.592 289 P HA 0.222 nan 4.420 nan 0.000 0.272 289 P C -0.011 177.380 177.300 0.152 0.000 1.254 289 P CA -0.531 62.590 63.100 0.036 0.000 0.795 289 P CB 0.369 32.015 31.700 -0.090 0.000 1.022 290 V N 1.604 121.508 119.914 -0.015 0.000 2.617 290 V HA -0.063 4.057 4.120 -0.000 0.000 0.304 290 V C 1.044 177.098 176.094 -0.067 0.000 1.040 290 V CA 0.299 62.531 62.300 -0.112 0.000 1.149 290 V CB -0.671 30.975 31.823 -0.294 0.000 0.914 290 V HN 0.517 nan 8.190 nan 0.000 0.487 291 N N 8.073 126.710 118.700 -0.104 0.000 2.406 291 N HA 0.123 4.863 4.740 -0.000 0.000 0.265 291 N C -1.704 173.674 175.510 -0.221 0.000 1.203 291 N CA -1.657 51.283 53.050 -0.183 0.000 0.945 291 N CB 1.213 39.624 38.487 -0.126 0.000 1.165 291 N HN 0.388 nan 8.380 nan 0.000 0.485 292 P HA 0.122 nan 4.420 nan 0.000 0.263 292 P C 0.391 177.744 177.300 0.089 0.000 1.448 292 P CA 0.075 63.171 63.100 -0.008 0.000 0.983 292 P CB 0.524 32.280 31.700 0.094 0.000 1.481 293 S N -1.076 114.501 115.700 -0.204 0.000 2.511 293 S HA 0.241 4.711 4.470 -0.000 0.000 0.214 293 S C 0.754 175.115 174.600 -0.398 0.000 0.997 293 S CA -0.226 57.638 58.200 -0.560 0.000 0.908 293 S CB -0.285 62.560 63.200 -0.592 0.000 0.803 293 S HN -0.036 nan 8.310 nan 0.000 0.504 294 L N 0.670 121.824 121.223 -0.115 0.000 2.585 294 L HA 0.580 4.920 4.340 -0.000 0.000 0.260 294 L C 0.820 177.779 176.870 0.149 0.000 1.085 294 L CA -0.802 54.022 54.840 -0.027 0.000 0.913 294 L CB 0.374 42.410 42.059 -0.039 0.000 1.638 294 L HN -0.052 nan 8.230 nan 0.000 0.531 295 N N -0.723 118.056 118.700 0.132 0.000 2.166 295 N HA 0.008 4.748 4.740 -0.000 0.000 0.213 295 N C 0.873 176.479 175.510 0.160 0.000 1.222 295 N CA 0.165 53.342 53.050 0.212 0.000 0.900 295 N CB 0.183 38.770 38.487 0.167 0.000 1.055 295 N HN 0.510 nan 8.380 nan 0.000 0.515 296 N N 0.145 118.897 118.700 0.087 0.000 2.520 296 N HA -0.050 4.689 4.740 -0.000 0.000 0.185 296 N C 0.510 176.055 175.510 0.059 0.000 1.068 296 N CA 0.936 54.028 53.050 0.069 0.000 0.911 296 N CB 0.399 38.890 38.487 0.005 0.000 0.961 296 N HN 0.027 nan 8.380 nan 0.000 0.446 297 T N -0.774 113.790 114.554 0.017 0.000 2.925 297 T HA 0.017 4.367 4.350 -0.000 0.000 0.245 297 T C 0.929 175.613 174.700 -0.027 0.000 1.025 297 T CA 0.652 62.713 62.100 -0.064 0.000 1.149 297 T CB -0.294 68.396 68.868 -0.297 0.000 0.866 297 T HN 0.242 nan 8.240 nan 0.000 0.437 298 Y N 1.220 121.607 120.300 0.144 0.000 2.578 298 Y HA 0.200 4.750 4.550 -0.000 0.000 0.297 298 Y C 2.281 178.248 175.900 0.111 0.000 1.176 298 Y CA 0.248 58.400 58.100 0.087 0.000 1.315 298 Y CB -0.045 38.433 38.460 0.030 0.000 1.031 298 Y HN 0.192 nan 8.280 nan 0.000 0.524 299 E N -0.489 119.869 120.200 0.263 0.000 2.244 299 E HA -0.044 4.306 4.350 -0.000 0.000 0.196 299 E C 1.705 178.475 176.600 0.284 0.000 0.939 299 E CA 0.248 56.795 56.400 0.245 0.000 0.884 299 E CB -0.454 29.379 29.700 0.221 0.000 0.850 299 E HN 0.287 nan 8.360 nan 0.000 0.481 300 F N 0.315 120.337 119.950 0.119 0.000 2.146 300 F HA -0.044 4.483 4.527 -0.000 0.000 0.298 300 F C 1.932 177.782 175.800 0.084 0.000 1.096 300 F CA 1.452 59.464 58.000 0.019 0.000 1.275 300 F CB -0.135 38.737 39.000 -0.214 0.000 1.008 300 F HN 0.103 nan 8.300 nan 0.000 0.480 301 M N -0.136 119.494 119.600 0.049 0.000 2.254 301 M HA -0.079 4.401 4.480 -0.000 0.000 0.265 301 M C 2.497 178.953 176.300 0.259 0.000 1.066 301 M CA 1.426 56.794 55.300 0.114 0.000 1.123 301 M CB -0.610 32.117 32.600 0.211 0.000 1.388 301 M HN 0.234 nan 8.290 nan 0.000 0.425 302 S N -1.318 114.512 115.700 0.217 0.000 2.402 302 S HA -0.112 4.358 4.470 -0.000 0.000 0.229 302 S C 1.731 176.498 174.600 0.278 0.000 1.021 302 S CA 1.882 60.238 58.200 0.261 0.000 0.974 302 S CB -0.221 63.106 63.200 0.212 0.000 0.800 302 S HN 0.591 nan 8.310 nan 0.000 0.484 303 T N 0.759 115.442 114.554 0.215 0.000 2.939 303 T HA 0.126 4.476 4.350 -0.000 0.000 0.254 303 T C 1.276 176.029 174.700 0.087 0.000 1.041 303 T CA 0.729 62.937 62.100 0.179 0.000 1.142 303 T CB -0.416 68.632 68.868 0.300 0.000 0.874 303 T HN 0.465 nan 8.240 nan 0.000 0.452 304 F N 1.436 121.301 119.950 -0.142 0.000 2.095 304 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 304 F C 1.483 177.041 175.800 -0.403 0.000 1.104 304 F CA 1.212 58.984 58.000 -0.379 0.000 1.232 304 F CB -0.441 38.103 39.000 -0.760 0.000 0.987 304 F HN 0.103 nan 8.300 nan 0.000 0.475 305 F N -0.420 119.474 119.950 -0.093 0.000 2.604 305 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 305 F C 2.172 177.805 175.800 -0.278 0.000 1.131 305 F CA 0.265 58.186 58.000 -0.132 0.000 1.457 305 F CB -0.358 38.703 39.000 0.103 0.000 1.095 305 F HN 0.052 nan 8.300 nan 0.000 0.574 306 L N 0.497 121.579 121.223 -0.234 0.000 2.156 306 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 306 L C 2.174 178.822 176.870 -0.370 0.000 1.095 306 L CA 1.889 56.392 54.840 -0.562 0.000 0.770 306 L CB -0.617 41.220 42.059 -0.371 0.000 0.914 306 L HN 0.291 nan 8.230 nan 0.000 0.439 307 E N -0.508 119.473 120.200 -0.365 0.000 2.051 307 E HA -0.146 4.204 4.350 -0.000 0.000 0.189 307 E C 2.127 178.573 176.600 -0.258 0.000 0.979 307 E CA 1.266 57.461 56.400 -0.342 0.000 0.803 307 E CB 0.123 29.423 29.700 -0.667 0.000 0.761 307 E HN 0.316 nan 8.360 nan 0.000 0.451 308 V N 1.818 121.496 119.914 -0.393 0.000 2.332 308 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 308 V C 2.615 178.759 176.094 0.083 0.000 1.055 308 V CA 2.123 64.323 62.300 -0.166 0.000 1.038 308 V CB -0.787 30.830 31.823 -0.344 0.000 0.651 308 V HN 0.457 nan 8.190 nan 0.000 0.450 309 S N -0.561 115.134 115.700 -0.007 0.000 2.474 309 S HA -0.131 4.339 4.470 -0.000 0.000 0.235 309 S C 1.890 176.497 174.600 0.013 0.000 0.997 309 S CA 1.423 59.639 58.200 0.025 0.000 0.949 309 S CB -0.257 62.917 63.200 -0.044 0.000 0.766 309 S HN 0.549 nan 8.310 nan 0.000 0.517 310 S N 1.044 116.731 115.700 -0.021 0.000 2.421 310 S HA 0.141 4.611 4.470 -0.000 0.000 0.224 310 S C 1.905 176.506 174.600 0.002 0.000 1.035 310 S CA 0.688 58.886 58.200 -0.004 0.000 0.953 310 S CB -0.293 62.911 63.200 0.006 0.000 0.810 310 S HN 0.406 nan 8.310 nan 0.000 0.497 311 V N 1.018 120.919 119.914 -0.022 0.000 2.283 311 V HA 0.010 4.130 4.120 -0.000 0.000 0.243 311 V C 0.378 176.316 176.094 -0.259 0.000 1.039 311 V CA 1.191 63.389 62.300 -0.170 0.000 1.016 311 V CB -0.560 31.085 31.823 -0.298 0.000 0.650 311 V HN 0.380 nan 8.190 nan 0.000 0.449 312 F N 1.899 121.877 119.950 0.047 0.000 2.390 312 F HA 0.350 4.877 4.527 -0.000 0.000 0.361 312 F C -1.222 174.615 175.800 0.062 0.000 1.124 312 F CA -2.133 55.907 58.000 0.066 0.000 1.149 312 F CB 0.520 39.553 39.000 0.055 0.000 1.160 312 F HN 0.094 nan 8.300 nan 0.000 0.501 313 P HA -0.055 nan 4.420 nan 0.000 0.249 313 P C -0.072 177.329 177.300 0.169 0.000 1.229 313 P CA 0.301 63.491 63.100 0.150 0.000 0.788 313 P CB 0.110 31.882 31.700 0.120 0.000 1.072 314 D N -0.457 120.069 120.400 0.209 0.000 2.389 314 D HA -0.022 4.618 4.640 -0.000 0.000 0.247 314 D C 0.845 177.256 176.300 0.186 0.000 1.128 314 D CA -0.395 53.734 54.000 0.215 0.000 0.884 314 D CB 0.203 41.144 40.800 0.234 0.000 1.194 314 D HN -0.133 nan 8.370 nan 0.000 0.441 315 F N 3.193 123.157 119.950 0.023 0.000 2.192 315 F HA -0.095 4.432 4.527 -0.000 0.000 0.301 315 F C -0.042 175.574 175.800 -0.307 0.000 1.079 315 F CA 1.255 59.145 58.000 -0.183 0.000 1.303 315 F CB 0.004 38.795 39.000 -0.348 0.000 1.024 315 F HN 0.364 nan 8.300 nan 0.000 0.494 316 Y N 0.369 120.774 120.300 0.175 0.000 2.387 316 Y HA 0.593 5.143 4.550 -0.000 0.000 0.330 316 Y C -0.407 175.527 175.900 0.057 0.000 1.133 316 Y CA -1.087 57.063 58.100 0.085 0.000 1.152 316 Y CB 1.174 39.725 38.460 0.152 0.000 1.215 316 Y HN -0.319 nan 8.280 nan 0.000 0.466 317 L N 2.406 123.754 121.223 0.208 0.000 2.431 317 L HA 0.308 4.648 4.340 -0.000 0.000 0.266 317 L C -0.632 176.348 176.870 0.182 0.000 0.978 317 L CA -0.882 54.053 54.840 0.158 0.000 0.822 317 L CB 1.957 44.119 42.059 0.171 0.000 1.310 317 L HN 0.645 nan 8.230 nan 0.000 0.409 318 H N 4.756 123.852 119.070 0.043 0.000 3.014 318 H HA 0.198 4.754 4.556 -0.000 0.000 0.266 318 H C 0.843 176.252 175.328 0.135 0.000 1.455 318 H CA -0.108 55.964 56.048 0.041 0.000 1.402 318 H CB 0.696 30.427 29.762 -0.051 0.000 1.626 318 H HN 0.603 nan 8.280 nan 0.000 0.520 319 L N 3.620 124.888 121.223 0.074 0.000 2.651 319 L HA -0.148 4.192 4.340 -0.000 0.000 0.236 319 L C 1.817 178.810 176.870 0.204 0.000 1.173 319 L CA 0.768 55.685 54.840 0.130 0.000 0.843 319 L CB -0.673 41.350 42.059 -0.060 0.000 0.964 319 L HN 0.852 nan 8.230 nan 0.000 0.454 320 G N 0.332 109.239 108.800 0.178 0.000 2.561 320 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.289 320 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.289 320 G C 0.633 175.773 174.900 0.401 0.000 1.169 320 G CA 0.041 45.440 45.100 0.499 0.000 0.980 320 G HN 1.056 nan 8.290 nan 0.000 0.550 321 G N -0.623 108.449 108.800 0.453 0.000 2.546 321 G HA2 0.262 4.222 3.960 -0.000 0.000 0.285 321 G HA3 0.262 4.222 3.960 -0.000 0.000 0.285 321 G C 0.035 175.183 174.900 0.414 0.000 1.105 321 G CA 1.141 46.451 45.100 0.350 0.000 1.189 321 G HN 1.905 nan 8.290 nan 0.000 0.534 322 D N -0.747 119.845 120.400 0.320 0.000 3.213 322 D HA 0.355 4.995 4.640 -0.000 0.000 0.229 322 D C 0.898 177.250 176.300 0.087 0.000 1.179 322 D CA -0.030 54.061 54.000 0.153 0.000 1.218 322 D CB -0.237 40.273 40.800 -0.483 0.000 0.950 322 D HN 0.629 nan 8.370 nan 0.000 0.232 323 E N 0.685 120.876 120.200 -0.014 0.000 2.220 323 E HA 0.396 4.745 4.350 -0.000 0.000 0.272 323 E C -0.665 175.826 176.600 -0.183 0.000 1.099 323 E CA -0.588 55.785 56.400 -0.044 0.000 0.907 323 E CB 0.804 30.485 29.700 -0.032 0.000 1.022 323 E HN 0.157 nan 8.360 nan 0.000 0.428 324 V N 3.357 123.108 119.914 -0.273 0.000 2.680 324 V HA 0.276 4.396 4.120 -0.000 0.000 0.309 324 V C -0.369 175.224 176.094 -0.835 0.000 1.052 324 V CA -1.027 60.979 62.300 -0.490 0.000 0.908 324 V CB 1.794 33.365 31.823 -0.420 0.000 1.001 324 V HN 0.838 nan 8.190 nan 0.000 0.431 325 D N 2.630 122.505 120.400 -0.874 0.000 2.375 325 D HA 0.370 5.010 4.640 -0.000 0.000 0.247 325 D C -0.757 174.901 176.300 -1.070 0.000 1.061 325 D CA -0.684 52.739 54.000 -0.962 0.000 0.834 325 D CB 1.913 42.393 40.800 -0.535 0.000 1.247 325 D HN 0.314 nan 8.370 nan 0.000 0.489 326 F N 1.281 120.921 119.950 -0.517 0.000 2.987 326 F HA 0.245 4.772 4.527 -0.000 0.000 0.302 326 F C 1.711 177.238 175.800 -0.455 0.000 1.221 326 F CA -0.691 56.937 58.000 -0.619 0.000 1.307 326 F CB 0.358 39.106 39.000 -0.421 0.000 1.108 326 F HN 0.223 nan 8.300 nan 0.000 0.521 327 T N -1.552 112.847 114.554 -0.260 0.000 2.814 327 T HA -0.162 4.188 4.350 -0.000 0.000 0.254 327 T C 2.058 176.712 174.700 -0.076 0.000 1.037 327 T CA 1.151 63.153 62.100 -0.162 0.000 1.143 327 T CB -0.457 68.325 68.868 -0.144 0.000 0.866 327 T HN 0.615 nan 8.240 nan 0.000 0.431 328 c N 0.397 118.978 118.600 -0.031 0.000 2.419 328 c HA -0.056 4.514 4.570 -0.000 0.000 0.283 328 c C 2.186 176.438 174.090 0.270 0.000 1.373 328 c CA 0.194 56.583 56.329 0.101 0.000 1.781 328 c CB -1.723 40.856 42.510 0.115 0.000 1.886 328 c HN 0.641 nan 8.230 nan 0.000 0.520 329 W N 0.939 122.184 121.300 -0.091 0.000 2.476 329 W HA 0.125 4.785 4.660 -0.000 0.000 0.281 329 W C 2.462 178.861 176.519 -0.201 0.000 1.230 329 W CA 1.072 58.372 57.345 -0.076 0.000 1.287 329 W CB -0.931 28.503 29.460 -0.043 0.000 1.108 329 W HN 0.237 nan 8.180 nan 0.000 0.567 330 K N 1.044 121.308 120.400 -0.226 0.000 2.103 330 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 330 K C 2.110 178.736 176.600 0.044 0.000 1.052 330 K CA 2.091 58.237 56.287 -0.236 0.000 0.945 330 K CB -0.523 31.808 32.500 -0.282 0.000 0.722 330 K HN -0.000 nan 8.250 nan 0.000 0.443 331 S N -0.430 115.302 115.700 0.054 0.000 2.489 331 S HA 0.016 4.486 4.470 -0.000 0.000 0.228 331 S C 0.674 175.343 174.600 0.114 0.000 0.995 331 S CA -0.109 58.148 58.200 0.094 0.000 0.934 331 S CB -0.416 62.845 63.200 0.102 0.000 0.771 331 S HN 0.241 nan 8.310 nan 0.000 0.522 332 N N 3.123 121.897 118.700 0.123 0.000 2.406 332 N HA 0.349 5.088 4.740 -0.000 0.000 0.251 332 N C -2.205 173.278 175.510 -0.045 0.000 1.069 332 N CA -2.306 50.772 53.050 0.046 0.000 0.947 332 N CB 1.496 40.065 38.487 0.136 0.000 1.111 332 N HN 0.020 nan 8.380 nan 0.000 0.497 333 P HA -0.078 nan 4.420 nan 0.000 0.221 333 P C 0.967 178.213 177.300 -0.089 0.000 1.150 333 P CA 0.568 63.582 63.100 -0.144 0.000 0.800 333 P CB 0.413 31.966 31.700 -0.244 0.000 0.787 334 E N 0.134 120.262 120.200 -0.121 0.000 2.153 334 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 334 E C 1.672 178.280 176.600 0.013 0.000 0.988 334 E CA 1.121 57.494 56.400 -0.046 0.000 0.811 334 E CB -0.225 29.452 29.700 -0.039 0.000 0.746 334 E HN 0.113 nan 8.360 nan 0.000 0.466 335 I N 0.801 121.388 120.570 0.027 0.000 2.339 335 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 335 I C 2.656 178.878 176.117 0.175 0.000 1.096 335 I CA 0.840 62.190 61.300 0.083 0.000 1.408 335 I CB -1.250 36.784 38.000 0.058 0.000 1.092 335 I HN 0.223 nan 8.210 nan 0.000 0.423 336 Q N 0.623 120.514 119.800 0.151 0.000 2.135 336 Q HA -0.274 4.066 4.340 -0.000 0.000 0.204 336 Q C 1.791 177.832 176.000 0.069 0.000 0.981 336 Q CA 1.940 57.821 55.803 0.130 0.000 0.856 336 Q CB 0.019 28.830 28.738 0.121 0.000 0.902 336 Q HN 0.330 nan 8.270 nan 0.000 0.425 337 D N -0.660 119.779 120.400 0.065 0.000 2.219 337 D HA -0.143 4.497 4.640 -0.000 0.000 0.205 337 D C 1.293 177.635 176.300 0.070 0.000 0.970 337 D CA 0.577 54.603 54.000 0.043 0.000 0.851 337 D CB -0.106 40.715 40.800 0.035 0.000 0.943 337 D HN 0.317 nan 8.370 nan 0.000 0.488 338 F N 0.285 120.219 119.950 -0.026 0.000 2.456 338 F HA 0.035 4.562 4.527 -0.000 0.000 0.298 338 F C 1.966 177.753 175.800 -0.021 0.000 1.104 338 F CA 0.604 58.588 58.000 -0.026 0.000 1.435 338 F CB -0.056 38.943 39.000 -0.002 0.000 1.078 338 F HN -0.129 nan 8.300 nan 0.000 0.546 339 M N -0.025 119.557 119.600 -0.030 0.000 2.229 339 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 339 M C 2.028 178.168 176.300 -0.267 0.000 1.063 339 M CA 1.455 56.706 55.300 -0.081 0.000 1.114 339 M CB -0.985 31.575 32.600 -0.067 0.000 1.387 339 M HN 0.176 nan 8.290 nan 0.000 0.420 340 R N -0.381 119.986 120.500 -0.221 0.000 2.200 340 R HA -0.017 4.323 4.340 -0.000 0.000 0.208 340 R C 2.212 178.328 176.300 -0.307 0.000 1.033 340 R CA 0.413 56.377 56.100 -0.226 0.000 1.000 340 R CB 0.063 30.282 30.300 -0.135 0.000 0.906 340 R HN 0.234 nan 8.270 nan 0.000 0.462 341 K N 1.023 121.192 120.400 -0.384 0.000 1.984 341 K HA -0.059 4.261 4.320 -0.000 0.000 0.209 341 K C 1.786 178.050 176.600 -0.561 0.000 1.046 341 K CA 1.231 57.270 56.287 -0.413 0.000 0.934 341 K CB -0.011 32.252 32.500 -0.395 0.000 0.717 341 K HN -0.008 nan 8.250 nan 0.000 0.438 342 K N -0.486 119.366 120.400 -0.912 0.000 2.365 342 K HA 0.020 4.340 4.320 -0.000 0.000 0.197 342 K C 0.563 176.547 176.600 -1.027 0.000 1.042 342 K CA 0.707 56.369 56.287 -1.042 0.000 0.987 342 K CB 0.264 31.876 32.500 -1.479 0.000 0.779 342 K HN 0.478 nan 8.250 nan 0.000 0.484 343 G N 1.659 109.929 108.800 -0.883 0.000 2.325 343 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.248 343 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.248 343 G C 0.176 174.756 174.900 -0.534 0.000 1.108 343 G CA -0.300 44.454 45.100 -0.577 0.000 0.881 343 G HN 0.166 nan 8.290 nan 0.000 0.494 344 F N 0.233 120.024 119.950 -0.264 0.000 2.656 344 F HA 0.406 4.933 4.527 -0.000 0.000 0.291 344 F C 2.326 177.979 175.800 -0.245 0.000 1.122 344 F CA 0.911 58.762 58.000 -0.249 0.000 1.427 344 F CB -0.303 38.525 39.000 -0.288 0.000 1.125 344 F HN 0.970 nan 8.300 nan 0.000 0.583 345 G N 1.419 110.161 108.800 -0.096 0.000 2.601 345 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.306 345 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.306 345 G C 0.840 175.639 174.900 -0.169 0.000 1.172 345 G CA 0.554 45.585 45.100 -0.115 0.000 0.966 345 G HN 0.375 nan 8.290 nan 0.000 0.542 346 E N 1.249 121.357 120.200 -0.153 0.000 2.651 346 E HA 0.309 4.659 4.350 -0.000 0.000 0.208 346 E C -0.413 176.058 176.600 -0.215 0.000 0.997 346 E CA 0.265 56.555 56.400 -0.184 0.000 1.020 346 E CB 0.663 30.364 29.700 0.001 0.000 1.052 346 E HN 0.402 nan 8.360 nan 0.000 0.465 347 D N 0.380 120.624 120.400 -0.262 0.000 2.443 347 D HA 0.187 4.827 4.640 -0.000 0.000 0.221 347 D C -0.459 175.635 176.300 -0.344 0.000 1.097 347 D CA -0.698 53.194 54.000 -0.180 0.000 0.865 347 D CB 0.051 40.799 40.800 -0.086 0.000 1.034 347 D HN -0.049 nan 8.370 nan 0.000 0.511 348 F N 2.229 122.046 119.950 -0.222 0.000 2.773 348 F HA 0.105 4.632 4.527 -0.000 0.000 0.304 348 F C 2.151 177.402 175.800 -0.916 0.000 1.129 348 F CA 0.063 57.799 58.000 -0.440 0.000 1.378 348 F CB 0.180 38.961 39.000 -0.365 0.000 1.095 348 F HN 0.399 nan 8.300 nan 0.000 0.565 349 K N 0.094 120.209 120.400 -0.475 0.000 2.211 349 K HA -0.079 4.241 4.320 -0.000 0.000 0.201 349 K C 1.812 178.312 176.600 -0.168 0.000 1.052 349 K CA 0.703 56.779 56.287 -0.352 0.000 0.973 349 K CB -0.399 32.042 32.500 -0.098 0.000 0.766 349 K HN 0.284 nan 8.250 nan 0.000 0.466 350 Q N 0.765 120.456 119.800 -0.182 0.000 2.311 350 Q HA -0.029 4.311 4.340 -0.000 0.000 0.203 350 Q C 1.985 177.787 176.000 -0.330 0.000 0.954 350 Q CA 0.318 56.032 55.803 -0.148 0.000 0.885 350 Q CB 0.117 28.820 28.738 -0.060 0.000 0.963 350 Q HN 0.343 nan 8.270 nan 0.000 0.471 351 L N 1.348 122.262 121.223 -0.516 0.000 2.056 351 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 351 L C 1.944 178.845 176.870 0.052 0.000 1.078 351 L CA 2.369 56.873 54.840 -0.560 0.000 0.749 351 L CB -0.358 41.460 42.059 -0.401 0.000 0.901 351 L HN 0.278 nan 8.230 nan 0.000 0.433 352 E N -1.565 118.767 120.200 0.221 0.000 2.427 352 E HA -0.068 4.282 4.350 -0.000 0.000 0.196 352 E C 1.728 178.518 176.600 0.317 0.000 1.028 352 E CA 1.167 57.828 56.400 0.435 0.000 0.864 352 E CB -0.459 29.515 29.700 0.457 0.000 0.813 352 E HN 0.410 nan 8.360 nan 0.000 0.514 353 S N 0.022 115.833 115.700 0.184 0.000 2.371 353 S HA -0.015 4.455 4.470 -0.000 0.000 0.224 353 S C 1.329 176.044 174.600 0.192 0.000 1.029 353 S CA 0.736 59.029 58.200 0.155 0.000 0.978 353 S CB -0.504 62.750 63.200 0.090 0.000 0.833 353 S HN 0.443 nan 8.310 nan 0.000 0.466 354 F N 1.672 121.668 119.950 0.076 0.000 2.161 354 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 354 F C 2.036 177.939 175.800 0.173 0.000 1.089 354 F CA 1.291 59.352 58.000 0.102 0.000 1.282 354 F CB -0.616 38.454 39.000 0.116 0.000 1.010 354 F HN 0.265 nan 8.300 nan 0.000 0.485 355 Y N 0.718 121.090 120.300 0.120 0.000 2.114 355 Y HA -0.207 4.343 4.550 -0.000 0.000 0.284 355 Y C 2.199 178.117 175.900 0.029 0.000 1.143 355 Y CA 2.326 60.516 58.100 0.150 0.000 1.135 355 Y CB -0.564 38.053 38.460 0.262 0.000 0.980 355 Y HN 0.107 nan 8.280 nan 0.000 0.499 356 I N 0.140 120.790 120.570 0.133 0.000 2.315 356 I HA -0.314 3.856 4.170 -0.000 0.000 0.248 356 I C 2.297 178.314 176.117 -0.168 0.000 1.117 356 I CA 1.464 62.753 61.300 -0.019 0.000 1.404 356 I CB -0.526 37.535 38.000 0.101 0.000 1.071 356 I HN 0.352 nan 8.210 nan 0.000 0.419 357 Q N 0.243 119.958 119.800 -0.142 0.000 2.079 357 Q HA -0.153 4.187 4.340 -0.000 0.000 0.200 357 Q C 2.224 178.054 176.000 -0.284 0.000 0.974 357 Q CA 2.063 57.756 55.803 -0.183 0.000 0.840 357 Q CB -0.224 28.455 28.738 -0.100 0.000 0.898 357 Q HN 0.469 nan 8.270 nan 0.000 0.430 358 T N 1.252 115.555 114.554 -0.418 0.000 2.867 358 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 358 T C 1.704 176.199 174.700 -0.342 0.000 1.057 358 T CA 0.671 62.488 62.100 -0.471 0.000 1.136 358 T CB -0.065 68.321 68.868 -0.804 0.000 0.874 358 T HN 0.199 nan 8.240 nan 0.000 0.466 359 L N 0.533 121.525 121.223 -0.384 0.000 2.240 359 L HA 0.113 4.453 4.340 -0.000 0.000 0.211 359 L C 2.130 178.767 176.870 -0.389 0.000 1.106 359 L CA 0.527 55.125 54.840 -0.403 0.000 0.793 359 L CB -0.179 41.550 42.059 -0.551 0.000 0.927 359 L HN 0.188 nan 8.230 nan 0.000 0.446 360 L N -0.025 120.974 121.223 -0.374 0.000 2.027 360 L HA -0.187 4.152 4.340 -0.000 0.000 0.206 360 L C 2.103 178.753 176.870 -0.366 0.000 1.074 360 L CA 1.860 56.434 54.840 -0.443 0.000 0.745 360 L CB -1.098 40.692 42.059 -0.448 0.000 0.898 360 L HN 0.351 nan 8.230 nan 0.000 0.433 361 D N -0.122 120.112 120.400 -0.277 0.000 2.123 361 D HA -0.221 4.419 4.640 -0.000 0.000 0.196 361 D C 2.282 178.445 176.300 -0.228 0.000 0.992 361 D CA 1.291 55.168 54.000 -0.205 0.000 0.833 361 D CB -0.139 40.558 40.800 -0.172 0.000 0.954 361 D HN 0.383 nan 8.370 nan 0.000 0.455 362 I N 0.787 121.198 120.570 -0.265 0.000 2.127 362 I HA -0.246 3.924 4.170 -0.000 0.000 0.241 362 I C 2.515 178.355 176.117 -0.462 0.000 1.075 362 I CA 0.816 61.902 61.300 -0.356 0.000 1.334 362 I CB -0.385 37.480 38.000 -0.226 0.000 1.040 362 I HN -0.108 nan 8.210 nan 0.000 0.405 363 V N 0.469 120.245 119.914 -0.229 0.000 2.407 363 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 363 V C 2.531 178.623 176.094 -0.003 0.000 1.055 363 V CA 2.153 64.438 62.300 -0.024 0.000 1.049 363 V CB -0.674 31.124 31.823 -0.041 0.000 0.662 363 V HN 0.395 nan 8.190 nan 0.000 0.455 364 S N 1.047 116.735 115.700 -0.019 0.000 2.370 364 S HA -0.198 4.272 4.470 -0.000 0.000 0.226 364 S C 2.151 176.725 174.600 -0.043 0.000 1.033 364 S CA 1.682 59.926 58.200 0.074 0.000 1.011 364 S CB -0.444 62.809 63.200 0.089 0.000 0.852 364 S HN 0.827 nan 8.310 nan 0.000 0.457 365 S N 0.415 116.007 115.700 -0.181 0.000 2.481 365 S HA -0.009 4.461 4.470 -0.000 0.000 0.231 365 S C 1.286 175.786 174.600 -0.166 0.000 0.996 365 S CA 0.450 58.523 58.200 -0.212 0.000 0.942 365 S CB -0.719 62.291 63.200 -0.315 0.000 0.768 365 S HN 0.671 nan 8.310 nan 0.000 0.520 366 Y N 1.764 122.060 120.300 -0.007 0.000 2.490 366 Y HA 0.352 4.902 4.550 -0.000 0.000 0.281 366 Y C 1.709 177.582 175.900 -0.046 0.000 1.174 366 Y CA -0.217 57.876 58.100 -0.012 0.000 1.295 366 Y CB -0.092 38.369 38.460 0.002 0.000 1.062 366 Y HN 0.441 nan 8.280 nan 0.000 0.522 367 G N 1.160 109.983 108.800 0.039 0.000 2.248 367 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.263 367 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.263 367 G C -0.393 174.319 174.900 -0.313 0.000 1.082 367 G CA -0.331 44.732 45.100 -0.062 0.000 0.863 367 G HN 0.116 nan 8.290 nan 0.000 0.495 368 K N -0.186 120.005 120.400 -0.349 0.000 2.371 368 K HA 0.669 4.989 4.320 -0.000 0.000 0.251 368 K C 0.794 176.979 176.600 -0.691 0.000 0.934 368 K CA -0.051 55.867 56.287 -0.616 0.000 0.798 368 K CB 2.063 34.443 32.500 -0.199 0.000 1.204 368 K HN 0.376 nan 8.250 nan 0.000 0.427 369 G N 1.122 109.260 108.800 -1.103 0.000 2.580 369 G HA2 0.459 4.419 3.960 -0.000 0.000 0.278 369 G HA3 0.459 4.419 3.960 -0.000 0.000 0.278 369 G C -1.068 173.668 174.900 -0.274 0.000 1.212 369 G CA -0.254 44.410 45.100 -0.726 0.000 0.939 369 G HN 0.531 nan 8.290 nan 0.000 0.513 370 Y N -2.319 118.112 120.300 0.219 0.000 2.441 370 Y HA 0.581 5.131 4.550 -0.000 0.000 0.334 370 Y C -0.761 175.174 175.900 0.057 0.000 1.061 370 Y CA -1.511 56.649 58.100 0.099 0.000 1.032 370 Y CB 1.375 39.826 38.460 -0.016 0.000 1.266 370 Y HN 0.337 nan 8.280 nan 0.000 0.441 371 V N 4.134 124.103 119.914 0.092 0.000 2.459 371 V HA 0.710 4.830 4.120 -0.000 0.000 0.295 371 V C -0.427 175.396 176.094 -0.451 0.000 1.029 371 V CA -0.758 61.480 62.300 -0.102 0.000 0.874 371 V CB 1.528 33.328 31.823 -0.039 0.000 0.985 371 V HN 0.736 nan 8.190 nan 0.000 0.438 372 V N 2.736 122.454 119.914 -0.327 0.000 2.914 372 V HA 0.507 4.627 4.120 -0.000 0.000 0.314 372 V C -0.381 175.640 176.094 -0.120 0.000 1.084 372 V CA -0.970 61.135 62.300 -0.326 0.000 0.963 372 V CB 2.061 33.845 31.823 -0.066 0.000 1.025 372 V HN 0.918 nan 8.190 nan 0.000 0.432 373 W N 0.531 121.927 121.300 0.160 0.000 1.595 373 W HA 0.177 4.837 4.660 -0.000 0.000 0.396 373 W C 1.898 178.606 176.519 0.314 0.000 1.873 373 W CA 0.052 57.599 57.345 0.336 0.000 2.073 373 W CB 0.040 29.707 29.460 0.346 0.000 1.513 373 W HN 0.578 nan 8.180 nan 0.000 0.809 374 Q N -0.273 119.987 119.800 0.766 0.000 1.969 374 Q HA -0.190 4.150 4.340 -0.000 0.000 0.198 374 Q C 1.943 178.161 176.000 0.363 0.000 0.978 374 Q CA 1.633 57.690 55.803 0.423 0.000 0.830 374 Q CB -0.456 28.407 28.738 0.209 0.000 0.896 374 Q HN 0.385 nan 8.270 nan 0.000 0.431 375 E N 0.289 120.709 120.200 0.368 0.000 2.246 375 E HA -0.282 4.068 4.350 -0.000 0.000 0.232 375 E C 1.930 178.667 176.600 0.228 0.000 1.087 375 E CA 2.010 58.568 56.400 0.263 0.000 0.964 375 E CB -0.721 29.130 29.700 0.251 0.000 0.827 375 E HN 0.122 nan 8.360 nan 0.000 0.476 376 V N -0.012 120.046 119.914 0.240 0.000 2.278 376 V HA -0.291 3.829 4.120 -0.000 0.000 0.251 376 V C 2.000 178.185 176.094 0.151 0.000 1.062 376 V CA 2.219 64.622 62.300 0.172 0.000 1.038 376 V CB -0.523 31.385 31.823 0.142 0.000 0.646 376 V HN 0.297 nan 8.190 nan 0.000 0.447 377 F N 1.041 121.023 119.950 0.053 0.000 2.187 377 F HA -0.092 4.435 4.527 -0.000 0.000 0.295 377 F C 2.116 177.946 175.800 0.050 0.000 1.091 377 F CA 1.730 59.746 58.000 0.027 0.000 1.308 377 F CB -0.265 38.752 39.000 0.028 0.000 1.030 377 F HN 0.194 nan 8.300 nan 0.000 0.487 378 D N 0.277 120.823 120.400 0.243 0.000 2.123 378 D HA -0.212 4.428 4.640 -0.000 0.000 0.196 378 D C 0.655 176.964 176.300 0.015 0.000 0.992 378 D CA 1.632 55.714 54.000 0.137 0.000 0.833 378 D CB -0.749 40.142 40.800 0.151 0.000 0.954 378 D HN 0.544 nan 8.370 nan 0.000 0.455 379 N N 0.754 119.474 118.700 0.035 0.000 3.324 379 N HA 0.042 4.782 4.740 -0.000 0.000 0.302 379 N C -0.423 175.068 175.510 -0.032 0.000 1.360 379 N CA -0.350 52.709 53.050 0.015 0.000 1.190 379 N CB 0.430 38.959 38.487 0.071 0.000 1.462 379 N HN -0.076 nan 8.380 nan 0.000 0.532 380 K N 1.107 121.426 120.400 -0.134 0.000 2.326 380 K HA -0.162 4.158 4.320 -0.000 0.000 0.245 380 K C -0.764 175.785 176.600 -0.085 0.000 1.229 380 K CA 0.254 56.426 56.287 -0.192 0.000 1.238 380 K CB -0.006 32.340 32.500 -0.258 0.000 0.730 380 K HN 0.226 nan 8.250 nan 0.000 0.524 381 V N 4.937 124.813 119.914 -0.063 0.000 2.617 381 V HA 0.124 4.244 4.120 -0.000 0.000 0.298 381 V C 0.097 176.166 176.094 -0.041 0.000 1.048 381 V CA -0.826 61.459 62.300 -0.024 0.000 0.964 381 V CB 1.599 33.422 31.823 0.000 0.000 1.004 381 V HN 0.628 nan 8.190 nan 0.000 0.466 382 K N 4.203 124.592 120.400 -0.018 0.000 2.036 382 K HA 0.044 4.364 4.320 -0.000 0.000 0.246 382 K C -0.284 176.293 176.600 -0.038 0.000 1.189 382 K CA 0.490 56.771 56.287 -0.010 0.000 1.255 382 K CB -0.802 31.701 32.500 0.005 0.000 0.909 382 K HN 0.407 nan 8.250 nan 0.000 0.382 383 I N 2.944 123.479 120.570 -0.058 0.000 2.331 383 I HA 0.095 4.265 4.170 -0.000 0.000 0.292 383 I C -0.421 175.683 176.117 -0.021 0.000 0.998 383 I CA -0.812 60.405 61.300 -0.138 0.000 1.267 383 I CB 1.066 38.855 38.000 -0.351 0.000 1.386 383 I HN 0.484 nan 8.210 nan 0.000 0.476 384 Q N 9.086 128.921 119.800 0.059 0.000 2.327 384 Q HA 0.289 4.629 4.340 -0.000 0.000 0.254 384 Q C -2.027 174.194 176.000 0.369 0.000 0.952 384 Q CA -1.484 54.444 55.803 0.209 0.000 0.884 384 Q CB -0.033 28.842 28.738 0.228 0.000 1.224 384 Q HN 0.377 nan 8.270 nan 0.000 0.422 385 P HA -0.083 nan 4.420 nan 0.000 0.311 385 P C -0.645 176.864 177.300 0.349 0.000 1.543 385 P CA 0.950 64.328 63.100 0.463 0.000 0.766 385 P CB 0.205 32.042 31.700 0.229 0.000 1.711 386 D N -3.495 117.119 120.400 0.357 0.000 2.345 386 D HA 0.019 4.659 4.640 -0.000 0.000 0.290 386 D C 0.319 176.750 176.300 0.219 0.000 1.107 386 D CA 0.499 54.645 54.000 0.243 0.000 0.836 386 D CB 0.204 41.097 40.800 0.155 0.000 1.406 386 D HN 0.023 nan 8.370 nan 0.000 0.532 387 T N 1.212 115.933 114.554 0.279 0.000 2.900 387 T HA 0.310 4.660 4.350 -0.000 0.000 0.307 387 T C 0.755 175.539 174.700 0.141 0.000 1.065 387 T CA 0.236 62.482 62.100 0.244 0.000 1.105 387 T CB 1.101 70.093 68.868 0.208 0.000 0.979 387 T HN -0.049 nan 8.240 nan 0.000 0.544 388 I N 3.071 123.688 120.570 0.077 0.000 2.382 388 I HA 0.301 4.471 4.170 -0.000 0.000 0.286 388 I C -0.271 175.823 176.117 -0.038 0.000 1.002 388 I CA -0.882 60.414 61.300 -0.006 0.000 1.135 388 I CB 1.163 39.093 38.000 -0.117 0.000 1.288 388 I HN 0.346 nan 8.210 nan 0.000 0.448 389 I N 5.691 126.239 120.570 -0.038 0.000 2.428 389 I HA 0.208 4.378 4.170 -0.000 0.000 0.289 389 I C 0.153 176.249 176.117 -0.035 0.000 1.019 389 I CA -0.159 61.116 61.300 -0.042 0.000 1.351 389 I CB 1.195 39.126 38.000 -0.116 0.000 1.412 389 I HN 0.687 nan 8.210 nan 0.000 0.513 390 Q N 5.472 125.292 119.800 0.034 0.000 2.394 390 Q HA 0.391 4.730 4.340 -0.000 0.000 0.259 390 Q C -1.410 174.768 176.000 0.296 0.000 1.021 390 Q CA -0.517 55.336 55.803 0.084 0.000 0.805 390 Q CB 1.540 30.245 28.738 -0.054 0.000 1.226 390 Q HN 0.504 nan 8.270 nan 0.000 0.476 391 V N 6.580 126.606 119.914 0.188 0.000 2.470 391 V HA 0.071 4.191 4.120 -0.000 0.000 0.276 391 V C 0.579 176.855 176.094 0.304 0.000 1.040 391 V CA 0.212 62.617 62.300 0.175 0.000 1.008 391 V CB 0.050 31.892 31.823 0.032 0.000 0.990 391 V HN 0.936 nan 8.190 nan 0.000 0.477 392 W N 4.437 125.858 121.300 0.201 0.000 3.231 392 W HA 0.325 4.985 4.660 -0.000 0.000 0.234 392 W C 0.564 177.025 176.519 -0.096 0.000 1.099 392 W CA -0.571 56.880 57.345 0.176 0.000 1.467 392 W CB 0.221 29.941 29.460 0.432 0.000 0.800 392 W HN 0.336 nan 8.180 nan 0.000 0.739 393 R N 3.402 123.265 120.500 -1.061 0.000 2.298 393 R HA 0.046 4.386 4.340 -0.000 0.000 0.310 393 R C 1.691 177.714 176.300 -0.461 0.000 1.068 393 R CA 0.474 55.931 56.100 -1.071 0.000 0.957 393 R CB 1.314 30.789 30.300 -1.374 0.000 1.003 393 R HN 0.218 nan 8.270 nan 0.000 0.454 394 E N 2.671 122.680 120.200 -0.319 0.000 2.006 394 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 394 E C -0.108 176.492 176.600 0.000 0.000 0.993 394 E CA 1.374 57.736 56.400 -0.064 0.000 0.808 394 E CB 0.078 29.741 29.700 -0.061 0.000 0.764 394 E HN 0.660 nan 8.360 nan 0.000 0.449 395 D N -0.984 119.364 120.400 -0.087 0.000 2.783 395 D HA 0.121 4.761 4.640 -0.000 0.000 0.306 395 D C 0.689 176.931 176.300 -0.096 0.000 1.633 395 D CA -0.346 53.608 54.000 -0.077 0.000 0.796 395 D CB -0.514 40.258 40.800 -0.048 0.000 1.230 395 D HN 0.174 nan 8.370 nan 0.000 0.441 396 I N 1.368 121.855 120.570 -0.139 0.000 2.277 396 I HA 0.020 4.190 4.170 -0.000 0.000 0.243 396 I C -0.236 175.824 176.117 -0.097 0.000 1.094 396 I CA 0.777 62.005 61.300 -0.120 0.000 1.393 396 I CB -1.252 36.658 38.000 -0.150 0.000 1.078 396 I HN 0.121 nan 8.210 nan 0.000 0.417 397 P HA 0.200 nan 4.420 nan 0.000 0.220 397 P C 0.208 177.476 177.300 -0.054 0.000 1.154 397 P CA 0.816 63.875 63.100 -0.068 0.000 0.837 397 P CB 1.136 32.797 31.700 -0.066 0.000 0.815 398 V N -0.100 119.771 119.914 -0.072 0.000 3.062 398 V HA 0.132 4.252 4.120 -0.000 0.000 0.261 398 V C -1.560 174.486 176.094 -0.080 0.000 1.772 398 V CA -1.146 61.116 62.300 -0.063 0.000 0.967 398 V CB 1.718 33.514 31.823 -0.044 0.000 1.331 398 V HN 0.303 nan 8.190 nan 0.000 0.459 399 N N 3.827 122.471 118.700 -0.093 0.000 2.293 399 N HA -0.065 4.675 4.740 -0.000 0.000 0.253 399 N C 1.005 176.417 175.510 -0.163 0.000 1.248 399 N CA 1.083 54.050 53.050 -0.138 0.000 0.845 399 N CB 0.647 39.017 38.487 -0.195 0.000 1.073 399 N HN 0.969 nan 8.380 nan 0.000 0.464 400 Y N 2.927 123.144 120.300 -0.138 0.000 2.315 400 Y HA -0.124 4.426 4.550 -0.000 0.000 0.288 400 Y C 2.033 177.844 175.900 -0.149 0.000 1.154 400 Y CA 0.760 58.766 58.100 -0.157 0.000 1.229 400 Y CB -0.197 38.160 38.460 -0.172 0.000 0.980 400 Y HN 0.362 nan 8.280 nan 0.000 0.540 401 M N 0.465 119.745 119.600 -0.532 0.000 2.254 401 M HA -0.073 4.407 4.480 -0.000 0.000 0.265 401 M C 1.982 178.136 176.300 -0.244 0.000 1.066 401 M CA 1.187 56.290 55.300 -0.330 0.000 1.123 401 M CB -0.688 31.712 32.600 -0.332 0.000 1.388 401 M HN 0.234 nan 8.290 nan 0.000 0.425 402 K N 0.546 120.822 120.400 -0.207 0.000 2.167 402 K HA -0.053 4.267 4.320 -0.000 0.000 0.203 402 K C 1.822 178.326 176.600 -0.160 0.000 1.052 402 K CA 0.827 57.026 56.287 -0.147 0.000 0.956 402 K CB 0.008 32.448 32.500 -0.099 0.000 0.735 402 K HN 0.268 nan 8.250 nan 0.000 0.451 403 E N 0.854 120.962 120.200 -0.153 0.000 2.051 403 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 403 E C 2.142 178.595 176.600 -0.244 0.000 0.991 403 E CA 0.834 57.151 56.400 -0.139 0.000 0.799 403 E CB -0.143 29.500 29.700 -0.096 0.000 0.748 403 E HN 0.263 nan 8.360 nan 0.000 0.449 404 L N 0.782 121.809 121.223 -0.328 0.000 2.079 404 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 404 L C 2.648 179.108 176.870 -0.683 0.000 1.081 404 L CA 1.290 55.832 54.840 -0.495 0.000 0.752 404 L CB -0.390 41.315 42.059 -0.590 0.000 0.896 404 L HN 0.193 nan 8.230 nan 0.000 0.433 405 E N 0.353 120.131 120.200 -0.704 0.000 2.031 405 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 405 E C 2.350 178.838 176.600 -0.186 0.000 0.994 405 E CA 0.990 57.109 56.400 -0.467 0.000 0.800 405 E CB 0.092 29.663 29.700 -0.216 0.000 0.752 405 E HN 0.265 nan 8.360 nan 0.000 0.447 406 L N 0.942 122.098 121.223 -0.112 0.000 2.042 406 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 406 L C 2.626 179.512 176.870 0.027 0.000 1.076 406 L CA 1.197 56.066 54.840 0.047 0.000 0.749 406 L CB -1.151 41.013 42.059 0.175 0.000 0.893 406 L HN 0.209 nan 8.230 nan 0.000 0.432 407 V N 0.004 119.737 119.914 -0.303 0.000 2.295 407 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 407 V C 2.691 178.720 176.094 -0.108 0.000 1.049 407 V CA 2.191 64.194 62.300 -0.495 0.000 1.024 407 V CB -1.038 30.440 31.823 -0.576 0.000 0.648 407 V HN 0.632 nan 8.190 nan 0.000 0.447 408 T N -1.801 112.688 114.554 -0.108 0.000 2.904 408 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 408 T C 1.849 176.550 174.700 0.002 0.000 1.059 408 T CA 1.449 63.535 62.100 -0.024 0.000 1.137 408 T CB -0.222 68.657 68.868 0.019 0.000 0.879 408 T HN 0.436 nan 8.240 nan 0.000 0.467 409 K N 1.450 121.861 120.400 0.017 0.000 2.097 409 K HA 0.145 4.465 4.320 -0.000 0.000 0.205 409 K C 2.511 179.129 176.600 0.030 0.000 1.050 409 K CA 0.985 57.295 56.287 0.039 0.000 0.938 409 K CB -0.506 32.030 32.500 0.059 0.000 0.718 409 K HN 0.399 nan 8.250 nan 0.000 0.442 410 A N 0.201 123.073 122.820 0.087 0.000 2.067 410 A HA 0.073 4.393 4.320 -0.000 0.000 0.219 410 A C 1.345 178.734 177.584 -0.325 0.000 1.158 410 A CA 1.265 53.345 52.037 0.072 0.000 0.661 410 A CB -0.484 18.828 19.000 0.520 0.000 0.801 410 A HN 0.567 nan 8.150 nan 0.000 0.452 411 G N -2.582 106.036 108.800 -0.304 0.000 2.141 411 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.195 411 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.195 411 G C -0.260 174.317 174.900 -0.540 0.000 1.012 411 G CA -0.054 44.802 45.100 -0.407 0.000 0.696 411 G HN 0.339 nan 8.290 nan 0.000 0.508 412 F N 0.485 120.470 119.950 0.058 0.000 2.508 412 F HA 0.644 5.171 4.527 -0.000 0.000 0.325 412 F C 1.098 176.895 175.800 -0.004 0.000 1.090 412 F CA -1.310 56.717 58.000 0.044 0.000 0.945 412 F CB 1.116 40.159 39.000 0.071 0.000 1.156 412 F HN -0.056 nan 8.300 nan 0.000 0.463 413 R N 1.647 122.262 120.500 0.191 0.000 2.502 413 R HA 0.424 4.763 4.340 -0.000 0.000 0.292 413 R C -0.184 176.133 176.300 0.028 0.000 0.998 413 R CA -0.093 56.055 56.100 0.079 0.000 1.056 413 R CB 0.228 30.552 30.300 0.040 0.000 0.939 413 R HN 0.740 nan 8.270 nan 0.000 0.411 414 A N 3.447 126.268 122.820 0.001 0.000 2.306 414 A HA 0.574 4.894 4.320 -0.000 0.000 0.330 414 A C -1.006 176.541 177.584 -0.062 0.000 1.146 414 A CA -0.619 51.392 52.037 -0.044 0.000 0.827 414 A CB 1.106 20.071 19.000 -0.057 0.000 1.178 414 A HN 0.504 nan 8.150 nan 0.000 0.490 415 L N 1.916 123.097 121.223 -0.070 0.000 2.446 415 L HA 0.519 4.859 4.340 -0.000 0.000 0.268 415 L C -1.177 175.691 176.870 -0.003 0.000 0.975 415 L CA -0.366 54.433 54.840 -0.068 0.000 0.848 415 L CB 1.569 43.549 42.059 -0.132 0.000 1.225 415 L HN 0.706 nan 8.230 nan 0.000 0.410 416 L N 3.600 124.830 121.223 0.011 0.000 2.334 416 L HA 0.693 5.033 4.340 -0.000 0.000 0.277 416 L C 0.579 177.514 176.870 0.109 0.000 1.075 416 L CA 1.023 55.871 54.840 0.013 0.000 0.804 416 L CB 1.659 43.680 42.059 -0.064 0.000 1.174 416 L HN 0.722 nan 8.230 nan 0.000 0.438 417 S N 1.842 117.588 115.700 0.076 0.000 2.775 417 S HA 0.251 4.721 4.470 -0.000 0.000 0.227 417 S C 1.035 175.760 174.600 0.208 0.000 0.845 417 S CA 0.315 58.671 58.200 0.261 0.000 1.407 417 S CB -0.391 63.027 63.200 0.364 0.000 1.259 417 S HN 0.896 nan 8.310 nan 0.000 0.612 418 A N 3.211 125.950 122.820 -0.135 0.000 1.855 418 A HA 0.172 4.492 4.320 -0.000 0.000 0.215 418 A C -0.083 177.227 177.584 -0.458 0.000 1.191 418 A CA 1.669 53.508 52.037 -0.330 0.000 0.613 418 A CB -1.368 17.297 19.000 -0.559 0.000 0.829 418 A HN 0.578 nan 8.150 nan 0.000 0.442 419 P HA -0.048 nan 4.420 nan 0.000 0.231 419 P C -0.065 177.313 177.300 0.130 0.000 1.168 419 P CA 0.454 63.289 63.100 -0.442 0.000 0.779 419 P CB -0.098 31.201 31.700 -0.668 0.000 0.844 420 W N 0.301 121.764 121.300 0.272 0.000 1.809 420 W HA 0.229 4.889 4.660 -0.000 0.000 0.399 420 W C -0.413 176.274 176.519 0.280 0.000 0.636 420 W CA -0.647 56.862 57.345 0.273 0.000 2.178 420 W CB -1.207 28.318 29.460 0.110 0.000 1.632 420 W HN -0.042 nan 8.180 nan 0.000 0.470 421 Y N 1.576 122.078 120.300 0.336 0.000 2.751 421 Y HA 0.111 4.661 4.550 -0.000 0.000 0.333 421 Y C 1.480 177.491 175.900 0.185 0.000 1.122 421 Y CA -0.770 57.484 58.100 0.257 0.000 1.367 421 Y CB 0.153 38.797 38.460 0.306 0.000 1.242 421 Y HN -0.073 nan 8.280 nan 0.000 0.505 422 L N 1.956 123.187 121.223 0.014 0.000 2.349 422 L HA -0.255 4.085 4.340 -0.000 0.000 0.220 422 L C 1.763 178.662 176.870 0.049 0.000 1.130 422 L CA 1.266 56.049 54.840 -0.094 0.000 0.791 422 L CB -0.576 41.315 42.059 -0.281 0.000 0.918 422 L HN 0.648 nan 8.230 nan 0.000 0.444 423 N N 0.578 119.340 118.700 0.103 0.000 2.270 423 N HA -0.184 4.556 4.740 -0.000 0.000 0.181 423 N C 1.067 176.707 175.510 0.217 0.000 1.016 423 N CA 0.350 53.498 53.050 0.164 0.000 0.870 423 N CB -0.401 38.225 38.487 0.231 0.000 0.979 423 N HN 0.065 nan 8.380 nan 0.000 0.431 424 R N 1.926 122.602 120.500 0.294 0.000 2.488 424 R HA 0.203 4.543 4.340 -0.000 0.000 0.306 424 R C 0.129 176.567 176.300 0.230 0.000 1.271 424 R CA -0.122 56.133 56.100 0.259 0.000 1.022 424 R CB -0.797 29.686 30.300 0.304 0.000 1.054 424 R HN 0.486 nan 8.270 nan 0.000 0.500 425 I N -0.678 119.982 120.570 0.150 0.000 2.713 425 I HA 0.622 4.792 4.170 -0.000 0.000 0.300 425 I C -0.105 176.078 176.117 0.109 0.000 1.009 425 I CA -0.546 60.835 61.300 0.136 0.000 1.305 425 I CB 1.854 39.909 38.000 0.091 0.000 1.430 425 I HN 0.475 nan 8.210 nan 0.000 0.546 426 S N 2.464 118.234 115.700 0.116 0.000 2.567 426 S HA 0.343 4.813 4.470 -0.000 0.000 0.270 426 S C -0.959 173.723 174.600 0.136 0.000 1.152 426 S CA -0.866 57.400 58.200 0.111 0.000 0.835 426 S CB 0.736 63.986 63.200 0.084 0.000 1.115 426 S HN 0.784 nan 8.310 nan 0.000 0.459 427 Y N 2.167 122.486 120.300 0.031 0.000 2.457 427 Y HA 0.451 5.001 4.550 -0.000 0.000 0.341 427 Y C 0.965 176.886 175.900 0.035 0.000 1.240 427 Y CA 2.051 60.171 58.100 0.033 0.000 1.437 427 Y CB -0.126 38.346 38.460 0.021 0.000 1.328 427 Y HN 1.812 nan 8.280 nan 0.000 0.588 428 G N 4.208 112.530 108.800 -0.796 0.000 2.828 428 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.463 428 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.463 428 G C -2.816 171.976 174.900 -0.180 0.000 1.394 428 G CA -0.741 44.036 45.100 -0.538 0.000 0.862 428 G HN 0.693 nan 8.290 nan 0.000 0.540 429 P HA 0.237 nan 4.420 nan 0.000 0.241 429 P C 0.330 177.557 177.300 -0.120 0.000 1.760 429 P CA 0.306 63.435 63.100 0.048 0.000 1.081 429 P CB -0.013 31.710 31.700 0.039 0.000 1.975 430 D N 0.282 120.677 120.400 -0.007 0.000 2.378 430 D HA -0.166 4.474 4.640 -0.000 0.000 0.227 430 D C 1.406 177.643 176.300 -0.105 0.000 1.012 430 D CA 0.150 54.084 54.000 -0.110 0.000 0.905 430 D CB -0.787 39.979 40.800 -0.057 0.000 0.895 430 D HN 0.465 nan 8.370 nan 0.000 0.532 431 W N 1.790 123.175 121.300 0.142 0.000 2.465 431 W HA -0.004 4.656 4.660 -0.000 0.000 0.268 431 W C 0.978 177.665 176.519 0.281 0.000 1.242 431 W CA 0.228 57.785 57.345 0.353 0.000 1.248 431 W CB -0.511 29.103 29.460 0.256 0.000 1.118 431 W HN -0.045 nan 8.180 nan 0.000 0.587 432 K N 0.658 120.605 120.400 -0.756 0.000 2.148 432 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 432 K C 1.576 178.081 176.600 -0.157 0.000 1.050 432 K CA 1.762 57.623 56.287 -0.711 0.000 0.942 432 K CB -0.251 31.751 32.500 -0.831 0.000 0.724 432 K HN -0.070 nan 8.250 nan 0.000 0.446 433 D N 0.523 120.794 120.400 -0.214 0.000 2.117 433 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 433 D C 1.685 178.017 176.300 0.052 0.000 0.987 433 D CA 1.128 55.030 54.000 -0.163 0.000 0.829 433 D CB -0.161 40.424 40.800 -0.358 0.000 0.961 433 D HN 0.091 nan 8.370 nan 0.000 0.460 434 F N -0.478 119.689 119.950 0.362 0.000 2.293 434 F HA -0.096 4.430 4.527 -0.000 0.000 0.300 434 F C 2.234 178.408 175.800 0.623 0.000 1.086 434 F CA 0.344 58.700 58.000 0.593 0.000 1.375 434 F CB -0.826 38.468 39.000 0.490 0.000 1.045 434 F HN 0.022 nan 8.300 nan 0.000 0.516 435 Y N 0.017 120.631 120.300 0.522 0.000 2.243 435 Y HA -0.064 4.486 4.550 -0.000 0.000 0.293 435 Y C 2.248 178.363 175.900 0.358 0.000 1.124 435 Y CA 1.019 59.392 58.100 0.455 0.000 1.159 435 Y CB -0.376 38.373 38.460 0.481 0.000 1.008 435 Y HN -0.164 nan 8.280 nan 0.000 0.527 436 V N -0.174 119.939 119.914 0.332 0.000 2.759 436 V HA -0.163 3.957 4.120 -0.000 0.000 0.256 436 V C 0.898 177.104 176.094 0.186 0.000 1.080 436 V CA 0.493 62.911 62.300 0.197 0.000 1.101 436 V CB -0.755 31.160 31.823 0.155 0.000 0.698 436 V HN 0.043 nan 8.190 nan 0.000 0.477 437 V N 1.969 122.054 119.914 0.284 0.000 2.539 437 V HA -0.026 4.094 4.120 -0.000 0.000 0.300 437 V C 0.355 176.614 176.094 0.275 0.000 1.019 437 V CA 0.460 62.924 62.300 0.272 0.000 1.160 437 V CB 0.355 32.351 31.823 0.289 0.000 0.901 437 V HN 0.567 nan 8.190 nan 0.000 0.481 438 E N 8.248 128.567 120.200 0.198 0.000 2.114 438 E HA 0.394 4.744 4.350 -0.000 0.000 0.266 438 E C -1.956 174.769 176.600 0.208 0.000 0.896 438 E CA -2.285 54.233 56.400 0.196 0.000 0.750 438 E CB 1.842 31.619 29.700 0.128 0.000 1.121 438 E HN 0.290 nan 8.360 nan 0.000 0.413 439 P HA -0.168 nan 4.420 nan 0.000 0.214 439 P C 0.547 178.039 177.300 0.318 0.000 1.163 439 P CA 1.311 64.566 63.100 0.258 0.000 0.889 439 P CB 0.145 32.007 31.700 0.271 0.000 0.790 440 L N -1.442 119.919 121.223 0.229 0.000 2.682 440 L HA 0.186 4.526 4.340 -0.000 0.000 0.240 440 L C 1.005 177.720 176.870 -0.258 0.000 1.178 440 L CA -0.372 54.432 54.840 -0.060 0.000 0.970 440 L CB -0.794 41.215 42.059 -0.083 0.000 1.179 440 L HN -0.108 nan 8.230 nan 0.000 0.435 441 A N 1.314 124.148 122.820 0.023 0.000 3.029 441 A HA 0.382 4.702 4.320 -0.000 0.000 0.251 441 A C -0.127 177.510 177.584 0.088 0.000 1.749 441 A CA -0.158 51.885 52.037 0.011 0.000 1.386 441 A CB -1.100 17.933 19.000 0.056 0.000 1.043 441 A HN 0.424 nan 8.150 nan 0.000 0.638 442 F N -2.440 117.506 119.950 -0.006 0.000 2.686 442 F HA 0.622 5.149 4.527 -0.000 0.000 0.311 442 F C -0.534 175.263 175.800 -0.007 0.000 1.128 442 F CA -1.380 56.607 58.000 -0.022 0.000 0.946 442 F CB 0.992 39.973 39.000 -0.031 0.000 1.336 442 F HN 0.098 nan 8.300 nan 0.000 0.457 443 E N 0.795 121.133 120.200 0.230 0.000 2.223 443 E HA 0.560 4.910 4.350 -0.000 0.000 0.282 443 E C -0.325 176.408 176.600 0.220 0.000 1.046 443 E CA -0.151 56.324 56.400 0.124 0.000 0.857 443 E CB 0.765 30.521 29.700 0.093 0.000 1.055 443 E HN 1.068 nan 8.360 nan 0.000 0.409 444 G N 2.174 111.029 108.800 0.091 0.000 2.411 444 G HA2 0.125 4.085 3.960 -0.000 0.000 0.295 444 G HA3 0.125 4.085 3.960 -0.000 0.000 0.295 444 G C -0.753 174.171 174.900 0.040 0.000 1.542 444 G CA -0.555 44.624 45.100 0.132 0.000 0.814 444 G HN 0.420 nan 8.290 nan 0.000 0.557 445 T N 0.745 115.332 114.554 0.055 0.000 2.898 445 T HA 0.441 4.791 4.350 -0.000 0.000 0.301 445 T C -0.646 174.065 174.700 0.018 0.000 1.049 445 T CA -0.773 61.343 62.100 0.026 0.000 1.095 445 T CB 1.020 69.905 68.868 0.028 0.000 0.976 445 T HN 0.144 nan 8.240 nan 0.000 0.539 446 P HA -0.199 nan 4.420 nan 0.000 0.216 446 P C 1.528 178.838 177.300 0.017 0.000 1.167 446 P CA 1.505 64.603 63.100 -0.003 0.000 0.914 446 P CB 0.006 31.702 31.700 -0.006 0.000 0.793 447 E N 0.144 120.356 120.200 0.020 0.000 2.268 447 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 447 E C 2.041 178.667 176.600 0.045 0.000 0.995 447 E CA 1.041 57.457 56.400 0.026 0.000 0.836 447 E CB -0.962 28.747 29.700 0.016 0.000 0.763 447 E HN 0.444 nan 8.360 nan 0.000 0.491 448 Q N 1.343 121.178 119.800 0.060 0.000 2.172 448 Q HA -0.069 4.271 4.340 -0.000 0.000 0.200 448 Q C 1.772 177.862 176.000 0.151 0.000 0.964 448 Q CA 0.955 56.813 55.803 0.092 0.000 0.855 448 Q CB 0.125 28.928 28.738 0.108 0.000 0.918 448 Q HN 0.186 nan 8.270 nan 0.000 0.444 449 K N -0.224 120.264 120.400 0.146 0.000 2.365 449 K HA 0.021 4.341 4.320 -0.000 0.000 0.199 449 K C 1.808 178.511 176.600 0.170 0.000 1.045 449 K CA 0.592 56.993 56.287 0.190 0.000 0.962 449 K CB 0.120 32.638 32.500 0.030 0.000 0.759 449 K HN 0.191 nan 8.250 nan 0.000 0.469 450 A N 1.219 124.106 122.820 0.112 0.000 2.067 450 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 450 A C 1.922 179.577 177.584 0.118 0.000 1.158 450 A CA 0.901 52.997 52.037 0.098 0.000 0.661 450 A CB -0.435 18.597 19.000 0.055 0.000 0.801 450 A HN 0.174 nan 8.150 nan 0.000 0.452 451 L N -0.134 121.159 121.223 0.116 0.000 2.275 451 L HA -0.049 4.291 4.340 -0.000 0.000 0.215 451 L C 0.287 177.226 176.870 0.114 0.000 1.119 451 L CA 0.028 54.927 54.840 0.098 0.000 0.790 451 L CB -0.324 41.780 42.059 0.074 0.000 0.919 451 L HN 0.097 nan 8.230 nan 0.000 0.443 452 V N 2.645 122.664 119.914 0.175 0.000 2.421 452 V HA -0.054 4.065 4.120 -0.000 0.000 0.271 452 V C 1.266 177.504 176.094 0.239 0.000 1.031 452 V CA 0.309 62.717 62.300 0.180 0.000 1.032 452 V CB 0.591 32.575 31.823 0.268 0.000 1.009 452 V HN 0.260 nan 8.190 nan 0.000 0.477 453 I N 2.052 122.698 120.570 0.127 0.000 3.883 453 I HA 0.670 4.840 4.170 -0.000 0.000 0.326 453 I C 0.868 177.097 176.117 0.187 0.000 1.283 453 I CA 0.409 61.821 61.300 0.185 0.000 1.161 453 I CB 0.003 38.043 38.000 0.066 0.000 1.012 453 I HN 0.693 nan 8.210 nan 0.000 0.421 454 G N 0.504 109.246 108.800 -0.097 0.000 2.270 454 G HA2 0.356 4.316 3.960 -0.000 0.000 0.268 454 G HA3 0.356 4.316 3.960 -0.000 0.000 0.268 454 G C -0.770 174.077 174.900 -0.087 0.000 1.312 454 G CA -0.404 44.537 45.100 -0.265 0.000 1.050 454 G HN 0.624 nan 8.290 nan 0.000 0.474 455 G N -1.367 107.495 108.800 0.104 0.000 2.721 455 G HA2 0.748 4.708 3.960 -0.000 0.000 0.296 455 G HA3 0.748 4.708 3.960 -0.000 0.000 0.296 455 G C -1.603 173.440 174.900 0.239 0.000 1.383 455 G CA -0.116 45.142 45.100 0.264 0.000 0.788 455 G HN 0.734 nan 8.290 nan 0.000 0.500 456 E N -1.019 119.337 120.200 0.260 0.000 2.331 456 E HA 0.563 4.913 4.350 -0.000 0.000 0.275 456 E C -0.507 176.173 176.600 0.133 0.000 0.895 456 E CA -0.900 55.565 56.400 0.109 0.000 0.753 456 E CB 2.606 32.303 29.700 -0.004 0.000 1.216 456 E HN 0.729 nan 8.360 nan 0.000 0.434 457 A N 1.380 124.187 122.820 -0.023 0.000 2.316 457 A HA 0.509 4.829 4.320 -0.000 0.000 0.284 457 A C -0.521 176.953 177.584 -0.182 0.000 1.115 457 A CA -0.364 51.627 52.037 -0.078 0.000 0.812 457 A CB 0.391 19.254 19.000 -0.228 0.000 1.064 457 A HN 0.672 nan 8.150 nan 0.000 0.489 458 C N 2.797 121.954 119.300 -0.238 0.000 2.379 458 C HA 0.634 5.094 4.460 -0.000 0.000 0.323 458 C C 0.036 174.701 174.990 -0.542 0.000 1.262 458 C CA -0.499 58.191 59.018 -0.546 0.000 1.581 458 C CB 0.791 28.040 27.740 -0.820 0.000 2.221 458 C HN 0.815 nan 8.230 nan 0.000 0.497 459 M N 2.914 122.148 119.600 -0.611 0.000 2.488 459 M HA 0.189 4.669 4.480 -0.000 0.000 0.204 459 M C -1.136 174.960 176.300 -0.339 0.000 0.969 459 M CA -0.348 54.728 55.300 -0.374 0.000 0.720 459 M CB 0.133 32.573 32.600 -0.267 0.000 1.427 459 M HN 0.778 nan 8.290 nan 0.000 0.427 460 W N 0.474 121.681 121.300 -0.156 0.000 2.308 460 W HA 0.323 4.983 4.660 -0.000 0.000 0.324 460 W C 1.459 177.987 176.519 0.014 0.000 1.387 460 W CA -0.241 57.044 57.345 -0.101 0.000 1.250 460 W CB 0.317 29.681 29.460 -0.160 0.000 1.257 460 W HN 0.731 nan 8.180 nan 0.000 0.554 461 G N 2.398 111.360 108.800 0.271 0.000 3.424 461 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.263 461 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.263 461 G C 0.890 175.982 174.900 0.321 0.000 1.310 461 G CA -0.232 45.024 45.100 0.260 0.000 1.089 461 G HN 0.495 nan 8.290 nan 0.000 0.534 462 E N -0.112 120.204 120.200 0.195 0.000 2.106 462 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 462 E C 0.559 177.012 176.600 -0.245 0.000 0.984 462 E CA 1.143 57.498 56.400 -0.076 0.000 0.806 462 E CB -0.075 29.452 29.700 -0.289 0.000 0.750 462 E HN 0.688 nan 8.360 nan 0.000 0.458 463 Y N -1.479 118.936 120.300 0.191 0.000 2.682 463 Y HA 0.374 4.924 4.550 -0.000 0.000 0.251 463 Y C -0.547 175.345 175.900 -0.013 0.000 1.172 463 Y CA -0.448 57.712 58.100 0.100 0.000 1.186 463 Y CB 1.103 39.617 38.460 0.090 0.000 1.216 463 Y HN -0.256 nan 8.280 nan 0.000 0.540 464 V N 1.977 121.916 119.914 0.041 0.000 2.623 464 V HA 0.414 4.534 4.120 -0.000 0.000 0.304 464 V C -0.981 175.018 176.094 -0.159 0.000 1.054 464 V CA -0.749 61.521 62.300 -0.049 0.000 0.882 464 V CB 2.073 33.913 31.823 0.028 0.000 1.002 464 V HN 0.285 nan 8.190 nan 0.000 0.424 465 D N 2.780 123.063 120.400 -0.195 0.000 2.798 465 D HA 0.202 4.842 4.640 -0.000 0.000 0.308 465 D C 0.689 176.969 176.300 -0.035 0.000 1.187 465 D CA -0.802 53.144 54.000 -0.090 0.000 1.033 465 D CB 0.591 41.317 40.800 -0.123 0.000 1.445 465 D HN 0.178 nan 8.370 nan 0.000 0.550 466 N N -1.010 117.695 118.700 0.008 0.000 2.493 466 N HA -0.166 4.574 4.740 -0.000 0.000 0.191 466 N C 1.270 176.781 175.510 0.002 0.000 1.041 466 N CA 1.653 54.706 53.050 0.005 0.000 0.904 466 N CB -0.303 38.197 38.487 0.022 0.000 0.948 466 N HN 0.476 nan 8.380 nan 0.000 0.446 467 T N -1.297 113.254 114.554 -0.005 0.000 3.067 467 T HA 0.033 4.383 4.350 -0.000 0.000 0.257 467 T C 0.600 175.298 174.700 -0.004 0.000 1.105 467 T CA 1.097 63.198 62.100 0.002 0.000 1.104 467 T CB -0.121 68.749 68.868 0.003 0.000 0.925 467 T HN 0.549 nan 8.240 nan 0.000 0.498 468 N N -0.044 118.646 118.700 -0.017 0.000 2.110 468 N HA 0.090 4.830 4.740 -0.000 0.000 0.230 468 N C 1.026 176.518 175.510 -0.031 0.000 1.353 468 N CA -0.177 52.862 53.050 -0.017 0.000 0.807 468 N CB -0.705 37.778 38.487 -0.006 0.000 1.244 468 N HN 0.250 nan 8.380 nan 0.000 0.504 469 L N 1.079 122.280 121.223 -0.036 0.000 1.961 469 L HA 0.011 4.351 4.340 -0.000 0.000 0.210 469 L C 1.733 178.563 176.870 -0.066 0.000 1.072 469 L CA 1.704 56.511 54.840 -0.054 0.000 0.749 469 L CB -0.729 41.303 42.059 -0.045 0.000 0.889 469 L HN -0.016 nan 8.230 nan 0.000 0.432 470 V N 1.195 121.093 119.914 -0.026 0.000 2.231 470 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 470 V C -0.112 175.981 176.094 -0.002 0.000 1.054 470 V CA 2.433 64.751 62.300 0.030 0.000 1.015 470 V CB -2.461 29.376 31.823 0.024 0.000 0.638 470 V HN 0.427 nan 8.190 nan 0.000 0.444 471 P HA -0.221 nan 4.420 nan 0.000 0.215 471 P C 1.678 178.942 177.300 -0.060 0.000 1.157 471 P CA 1.758 64.818 63.100 -0.067 0.000 0.868 471 P CB -0.164 31.496 31.700 -0.066 0.000 0.788 472 R N -0.547 119.913 120.500 -0.067 0.000 2.148 472 R HA -0.013 4.327 4.340 -0.000 0.000 0.227 472 R C 2.492 178.698 176.300 -0.156 0.000 1.103 472 R CA 0.611 56.669 56.100 -0.070 0.000 0.983 472 R CB -0.666 29.607 30.300 -0.045 0.000 0.874 472 R HN 0.162 nan 8.270 nan 0.000 0.451 473 L N -0.459 120.604 121.223 -0.267 0.000 2.049 473 L HA 0.015 4.355 4.340 -0.000 0.000 0.203 473 L C -0.029 176.416 176.870 -0.709 0.000 1.074 473 L CA 0.871 55.355 54.840 -0.594 0.000 0.749 473 L CB 0.064 41.642 42.059 -0.801 0.000 0.907 473 L HN 0.122 nan 8.230 nan 0.000 0.439 474 W N -0.616 120.623 121.300 -0.102 0.000 2.570 474 W HA 0.355 5.015 4.660 -0.000 0.000 0.337 474 W C -1.811 174.612 176.519 -0.160 0.000 1.067 474 W CA -1.618 55.651 57.345 -0.126 0.000 1.229 474 W CB 0.224 29.598 29.460 -0.144 0.000 1.355 474 W HN -0.124 nan 8.180 nan 0.000 0.555 475 P HA 0.157 nan 4.420 nan 0.000 0.259 475 P C 0.789 178.099 177.300 0.016 0.000 1.530 475 P CA -0.014 63.147 63.100 0.101 0.000 1.022 475 P CB 0.306 31.912 31.700 -0.158 0.000 1.514 476 R N 0.553 121.051 120.500 -0.002 0.000 2.096 476 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 476 R C 2.002 178.303 176.300 0.001 0.000 1.127 476 R CA 1.648 57.791 56.100 0.070 0.000 0.968 476 R CB -0.854 29.502 30.300 0.094 0.000 0.861 476 R HN 0.166 nan 8.270 nan 0.000 0.440 477 A N 0.607 123.321 122.820 -0.177 0.000 2.168 477 A HA 0.009 4.329 4.320 -0.000 0.000 0.215 477 A C 2.160 179.812 177.584 0.113 0.000 1.152 477 A CA 1.212 53.099 52.037 -0.250 0.000 0.716 477 A CB -0.503 18.072 19.000 -0.709 0.000 0.794 477 A HN 0.447 nan 8.150 nan 0.000 0.465 478 G N -0.431 108.560 108.800 0.317 0.000 2.421 478 G HA2 0.076 4.036 3.960 -0.000 0.000 0.217 478 G HA3 0.076 4.036 3.960 -0.000 0.000 0.217 478 G C 1.644 176.979 174.900 0.724 0.000 1.143 478 G CA 1.056 46.469 45.100 0.522 0.000 0.784 478 G HN 0.666 nan 8.290 nan 0.000 0.541 479 A N 0.429 123.583 122.820 0.557 0.000 1.902 479 A HA 0.033 4.353 4.320 -0.000 0.000 0.217 479 A C 2.582 180.442 177.584 0.461 0.000 1.181 479 A CA 1.892 54.407 52.037 0.796 0.000 0.623 479 A CB -0.638 18.874 19.000 0.853 0.000 0.818 479 A HN 0.259 nan 8.150 nan 0.000 0.443 480 V N -0.105 119.850 119.914 0.069 0.000 2.427 480 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 480 V C 3.024 179.001 176.094 -0.196 0.000 1.051 480 V CA 1.782 63.820 62.300 -0.437 0.000 1.048 480 V CB -1.392 29.959 31.823 -0.788 0.000 0.666 480 V HN 0.616 nan 8.190 nan 0.000 0.456 481 A N 0.150 123.004 122.820 0.058 0.000 1.883 481 A HA -0.316 4.004 4.320 -0.000 0.000 0.217 481 A C 2.305 179.956 177.584 0.112 0.000 1.186 481 A CA 2.275 54.393 52.037 0.135 0.000 0.624 481 A CB -0.546 18.619 19.000 0.275 0.000 0.822 481 A HN 0.649 nan 8.150 nan 0.000 0.444 482 E N -0.768 119.480 120.200 0.081 0.000 2.072 482 E HA -0.242 4.107 4.350 -0.000 0.000 0.191 482 E C 2.197 178.821 176.600 0.039 0.000 0.985 482 E CA 1.285 57.622 56.400 -0.105 0.000 0.801 482 E CB -0.104 29.311 29.700 -0.475 0.000 0.750 482 E HN 0.392 nan 8.360 nan 0.000 0.452 483 R N 0.589 121.116 120.500 0.045 0.000 2.120 483 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 483 R C 2.014 178.438 176.300 0.207 0.000 1.123 483 R CA 1.329 57.463 56.100 0.056 0.000 0.975 483 R CB -0.444 29.900 30.300 0.073 0.000 0.866 483 R HN 0.324 nan 8.270 nan 0.000 0.446 484 L N -1.410 119.927 121.223 0.191 0.000 2.270 484 L HA -0.017 4.323 4.340 -0.000 0.000 0.210 484 L C 2.200 179.304 176.870 0.389 0.000 1.104 484 L CA 0.591 55.648 54.840 0.362 0.000 0.804 484 L CB -0.408 41.770 42.059 0.198 0.000 0.937 484 L HN 0.341 nan 8.230 nan 0.000 0.450 485 W N 0.577 121.931 121.300 0.089 0.000 2.601 485 W HA 0.128 4.788 4.660 -0.000 0.000 0.292 485 W C 1.105 177.601 176.519 -0.039 0.000 1.153 485 W CA 0.203 57.565 57.345 0.028 0.000 1.448 485 W CB -0.088 29.363 29.460 -0.015 0.000 1.113 485 W HN -0.094 nan 8.180 nan 0.000 0.548 486 S N 1.856 117.745 115.700 0.316 0.000 2.606 486 S HA -0.033 4.437 4.470 -0.000 0.000 0.257 486 S C 0.194 174.822 174.600 0.045 0.000 1.327 486 S CA -0.494 57.823 58.200 0.196 0.000 0.984 486 S CB 0.205 63.516 63.200 0.184 0.000 0.941 486 S HN 0.155 nan 8.310 nan 0.000 0.576 487 N N 1.035 119.759 118.700 0.041 0.000 2.482 487 N HA 0.006 4.746 4.740 -0.000 0.000 0.260 487 N C 1.093 176.625 175.510 0.038 0.000 1.236 487 N CA 0.009 53.064 53.050 0.010 0.000 0.938 487 N CB 0.511 39.017 38.487 0.030 0.000 1.128 487 N HN 0.638 nan 8.380 nan 0.000 0.448 488 K N 2.555 122.968 120.400 0.021 0.000 2.113 488 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 488 K C 1.576 178.203 176.600 0.046 0.000 1.047 488 K CA 1.250 57.560 56.287 0.039 0.000 0.928 488 K CB 0.017 32.532 32.500 0.025 0.000 0.716 488 K HN 0.582 nan 8.250 nan 0.000 0.446 489 L N 0.394 121.647 121.223 0.050 0.000 2.240 489 L HA -0.028 4.312 4.340 -0.000 0.000 0.211 489 L C 0.744 177.661 176.870 0.078 0.000 1.106 489 L CA 0.449 55.322 54.840 0.057 0.000 0.793 489 L CB -0.191 41.898 42.059 0.050 0.000 0.927 489 L HN 0.015 nan 8.230 nan 0.000 0.446 490 T N 0.776 115.392 114.554 0.103 0.000 2.933 490 T HA 0.089 4.439 4.350 -0.000 0.000 0.263 490 T C 0.878 175.674 174.700 0.161 0.000 0.925 490 T CA 0.363 62.552 62.100 0.148 0.000 1.156 490 T CB -0.126 68.867 68.868 0.209 0.000 0.916 490 T HN 0.388 nan 8.240 nan 0.000 0.601 491 S N 0.665 116.488 115.700 0.205 0.000 3.067 491 S HA 0.118 4.588 4.470 -0.000 0.000 0.253 491 S C -0.263 174.579 174.600 0.403 0.000 0.942 491 S CA -0.747 57.619 58.200 0.276 0.000 1.197 491 S CB 0.215 63.486 63.200 0.119 0.000 1.143 491 S HN 0.567 nan 8.310 nan 0.000 0.638 492 D N 1.695 122.300 120.400 0.342 0.000 2.371 492 D HA 0.221 4.861 4.640 -0.000 0.000 0.256 492 D C 0.905 177.391 176.300 0.311 0.000 1.193 492 D CA -0.235 53.928 54.000 0.272 0.000 0.881 492 D CB 0.958 41.874 40.800 0.193 0.000 1.143 492 D HN 0.074 nan 8.370 nan 0.000 0.473 493 L N 3.479 124.842 121.223 0.234 0.000 2.056 493 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 493 L C 2.646 179.654 176.870 0.230 0.000 1.078 493 L CA 1.384 56.331 54.840 0.177 0.000 0.749 493 L CB -0.901 41.200 42.059 0.071 0.000 0.901 493 L HN 0.464 nan 8.230 nan 0.000 0.433 494 T N -0.800 113.874 114.554 0.200 0.000 2.746 494 T HA -0.243 4.107 4.350 -0.000 0.000 0.267 494 T C 1.776 176.646 174.700 0.282 0.000 1.039 494 T CA 1.612 63.844 62.100 0.219 0.000 1.142 494 T CB -0.510 68.448 68.868 0.151 0.000 0.866 494 T HN 0.257 nan 8.240 nan 0.000 0.444 495 F N 1.579 121.580 119.950 0.086 0.000 2.186 495 F HA 0.040 4.567 4.527 -0.000 0.000 0.299 495 F C 2.411 178.252 175.800 0.068 0.000 1.090 495 F CA 0.766 58.778 58.000 0.020 0.000 1.307 495 F CB -0.214 38.739 39.000 -0.080 0.000 1.019 495 F HN 0.144 nan 8.300 nan 0.000 0.489 496 A N 0.036 122.906 122.820 0.083 0.000 1.858 496 A HA -0.261 4.059 4.320 -0.000 0.000 0.216 496 A C 1.996 179.628 177.584 0.080 0.000 1.190 496 A CA 1.694 53.776 52.037 0.074 0.000 0.617 496 A CB -1.714 17.256 19.000 -0.051 0.000 0.827 496 A HN 0.639 nan 8.150 nan 0.000 0.443 497 Y N 0.940 121.316 120.300 0.125 0.000 2.081 497 Y HA -0.274 4.276 4.550 -0.000 0.000 0.280 497 Y C 2.214 178.064 175.900 -0.084 0.000 1.163 497 Y CA 2.407 60.524 58.100 0.029 0.000 1.135 497 Y CB -0.521 38.073 38.460 0.224 0.000 0.970 497 Y HN 0.502 nan 8.280 nan 0.000 0.498 498 E N -0.049 120.118 120.200 -0.054 0.000 2.086 498 E HA -0.312 4.038 4.350 -0.000 0.000 0.205 498 E C 2.193 178.623 176.600 -0.283 0.000 1.027 498 E CA 2.211 58.516 56.400 -0.160 0.000 0.830 498 E CB -0.284 29.415 29.700 -0.002 0.000 0.751 498 E HN 0.659 nan 8.360 nan 0.000 0.456 499 R N 0.253 120.595 120.500 -0.263 0.000 2.280 499 R HA 0.057 4.397 4.340 -0.000 0.000 0.195 499 R C 2.122 178.345 176.300 -0.130 0.000 0.935 499 R CA 0.219 56.226 56.100 -0.154 0.000 1.033 499 R CB -0.094 30.112 30.300 -0.156 0.000 0.964 499 R HN 0.105 nan 8.270 nan 0.000 0.489 500 L N 2.011 123.004 121.223 -0.383 0.000 2.131 500 L HA -0.012 4.328 4.340 -0.000 0.000 0.206 500 L C 2.152 178.662 176.870 -0.600 0.000 1.087 500 L CA 1.884 56.255 54.840 -0.782 0.000 0.767 500 L CB -0.164 41.120 42.059 -1.292 0.000 0.917 500 L HN 0.325 nan 8.230 nan 0.000 0.441 501 S N -2.150 113.180 115.700 -0.618 0.000 2.406 501 S HA -0.244 4.225 4.470 -0.000 0.000 0.228 501 S C 2.081 176.473 174.600 -0.346 0.000 1.020 501 S CA 1.038 58.914 58.200 -0.540 0.000 0.965 501 S CB -0.938 61.812 63.200 -0.751 0.000 0.798 501 S HN 0.703 nan 8.310 nan 0.000 0.488 502 H N 0.708 119.576 119.070 -0.337 0.000 2.389 502 H HA 0.054 4.610 4.556 -0.000 0.000 0.299 502 H C 1.654 176.890 175.328 -0.154 0.000 1.081 502 H CA 1.656 57.574 56.048 -0.218 0.000 1.345 502 H CB -0.496 29.174 29.762 -0.153 0.000 1.393 502 H HN 0.505 nan 8.280 nan 0.000 0.520 503 F N 0.566 120.342 119.950 -0.291 0.000 2.325 503 F HA -0.040 4.487 4.527 -0.000 0.000 0.299 503 F C 2.715 178.283 175.800 -0.388 0.000 1.090 503 F CA 0.753 58.555 58.000 -0.330 0.000 1.392 503 F CB -0.106 38.697 39.000 -0.329 0.000 1.053 503 F HN 0.055 nan 8.300 nan 0.000 0.521 504 R N -0.027 120.186 120.500 -0.478 0.000 2.070 504 R HA -0.189 4.150 4.340 -0.000 0.000 0.233 504 R C 2.244 178.268 176.300 -0.461 0.000 1.137 504 R CA 2.130 57.930 56.100 -0.500 0.000 0.945 504 R CB -1.180 28.893 30.300 -0.378 0.000 0.845 504 R HN 0.393 nan 8.270 nan 0.000 0.430 505 c N 0.894 119.253 118.600 -0.401 0.000 2.411 505 c HA -0.082 4.488 4.570 -0.000 0.000 0.279 505 c C 2.528 176.392 174.090 -0.377 0.000 1.288 505 c CA 1.059 57.178 56.329 -0.349 0.000 1.764 505 c CB -0.833 41.470 42.510 -0.345 0.000 1.974 505 c HN 0.608 nan 8.230 nan 0.000 0.498 506 E N 1.026 120.936 120.200 -0.484 0.000 2.072 506 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 506 E C 1.977 178.270 176.600 -0.511 0.000 0.985 506 E CA 1.220 57.341 56.400 -0.465 0.000 0.801 506 E CB -0.479 28.955 29.700 -0.443 0.000 0.750 506 E HN 0.590 nan 8.360 nan 0.000 0.452 507 L N -0.170 120.643 121.223 -0.684 0.000 2.042 507 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 507 L C 2.314 178.956 176.870 -0.381 0.000 1.076 507 L CA 0.711 55.167 54.840 -0.640 0.000 0.749 507 L CB -0.460 41.157 42.059 -0.737 0.000 0.893 507 L HN 0.215 nan 8.230 nan 0.000 0.432 508 L N -0.431 120.609 121.223 -0.304 0.000 2.083 508 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 508 L C 2.689 179.517 176.870 -0.070 0.000 1.083 508 L CA 1.600 56.363 54.840 -0.130 0.000 0.752 508 L CB -0.721 41.285 42.059 -0.087 0.000 0.899 508 L HN 0.166 nan 8.230 nan 0.000 0.433 509 R N -0.226 120.183 120.500 -0.151 0.000 2.148 509 R HA -0.081 4.259 4.340 -0.000 0.000 0.227 509 R C 1.864 178.088 176.300 -0.128 0.000 1.103 509 R CA 0.947 56.973 56.100 -0.124 0.000 0.983 509 R CB 0.013 30.222 30.300 -0.152 0.000 0.874 509 R HN 0.303 nan 8.270 nan 0.000 0.451 510 R N -0.939 119.445 120.500 -0.194 0.000 2.320 510 R HA 0.095 4.435 4.340 -0.000 0.000 0.211 510 R C 0.842 177.085 176.300 -0.095 0.000 0.931 510 R CA 0.547 56.531 56.100 -0.193 0.000 1.071 510 R CB 0.560 30.643 30.300 -0.362 0.000 1.025 510 R HN 0.463 nan 8.270 nan 0.000 0.495 511 G N 0.552 109.333 108.800 -0.031 0.000 2.176 511 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.253 511 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.253 511 G C 0.196 175.157 174.900 0.101 0.000 0.979 511 G CA -0.042 45.111 45.100 0.087 0.000 0.641 511 G HN 0.149 nan 8.290 nan 0.000 0.530 512 V N 1.355 121.232 119.914 -0.062 0.000 2.508 512 V HA 0.283 4.403 4.120 -0.000 0.000 0.281 512 V C 1.180 177.081 176.094 -0.322 0.000 1.041 512 V CA 0.504 62.707 62.300 -0.162 0.000 1.016 512 V CB 1.701 33.373 31.823 -0.251 0.000 0.984 512 V HN 0.444 nan 8.190 nan 0.000 0.478 513 Q N 3.740 123.281 119.800 -0.431 0.000 3.179 513 Q HA 0.351 4.691 4.340 -0.000 0.000 0.328 513 Q C 0.329 176.071 176.000 -0.430 0.000 1.336 513 Q CA -0.412 54.897 55.803 -0.825 0.000 0.939 513 Q CB -0.001 28.310 28.738 -0.713 0.000 1.658 513 Q HN 0.913 nan 8.270 nan 0.000 0.486 514 A N 2.438 125.057 122.820 -0.335 0.000 2.363 514 A HA 0.226 4.546 4.320 -0.000 0.000 0.270 514 A C -0.016 177.455 177.584 -0.188 0.000 1.121 514 A CA -0.636 51.295 52.037 -0.177 0.000 0.800 514 A CB 0.428 19.324 19.000 -0.174 0.000 1.052 514 A HN 0.757 nan 8.150 nan 0.000 0.493 515 Q N 2.738 122.468 119.800 -0.118 0.000 2.417 515 Q HA 0.469 4.809 4.340 -0.000 0.000 0.241 515 Q C -2.463 173.479 176.000 -0.096 0.000 1.008 515 Q CA -1.651 54.096 55.803 -0.093 0.000 0.901 515 Q CB 0.267 28.975 28.738 -0.050 0.000 1.259 515 Q HN 0.467 nan 8.270 nan 0.000 0.489 516 P HA 0.054 nan 4.420 nan 0.000 0.278 516 P C -0.031 177.247 177.300 -0.036 0.000 1.238 516 P CA -0.188 62.876 63.100 -0.060 0.000 0.794 516 P CB 0.948 32.637 31.700 -0.018 0.000 0.955 517 L N 0.545 121.740 121.223 -0.048 0.000 2.240 517 L HA 0.089 4.429 4.340 -0.000 0.000 0.211 517 L C 1.381 178.337 176.870 0.143 0.000 1.106 517 L CA 1.205 56.059 54.840 0.024 0.000 0.793 517 L CB -0.396 41.621 42.059 -0.069 0.000 0.927 517 L HN 0.530 nan 8.230 nan 0.000 0.446 518 N N -1.812 116.963 118.700 0.125 0.000 3.441 518 N HA 0.095 4.835 4.740 -0.000 0.000 0.313 518 N C -1.280 174.290 175.510 0.099 0.000 1.526 518 N CA -0.260 52.860 53.050 0.117 0.000 0.871 518 N CB 1.042 39.620 38.487 0.152 0.000 1.779 518 N HN -0.223 nan 8.380 nan 0.000 0.529 519 V N -0.512 119.457 119.914 0.092 0.000 2.872 519 V HA 0.760 4.880 4.120 -0.000 0.000 0.307 519 V C 1.011 177.181 176.094 0.127 0.000 1.072 519 V CA 0.934 63.291 62.300 0.096 0.000 1.148 519 V CB 0.066 31.937 31.823 0.081 0.000 0.954 519 V HN 1.008 nan 8.190 nan 0.000 0.490 520 G N 3.199 112.086 108.800 0.145 0.000 2.373 520 G HA2 0.496 4.456 3.960 -0.000 0.000 0.250 520 G HA3 0.496 4.456 3.960 -0.000 0.000 0.250 520 G C -1.168 173.910 174.900 0.298 0.000 1.304 520 G CA -0.203 45.025 45.100 0.214 0.000 0.948 520 G HN 2.255 nan 8.290 nan 0.000 0.474 521 F N -1.878 118.073 119.950 0.003 0.000 2.719 521 F HA 0.717 5.244 4.527 -0.000 0.000 0.309 521 F C -0.997 174.788 175.800 -0.026 0.000 1.138 521 F CA -1.741 56.254 58.000 -0.008 0.000 0.943 521 F CB 0.814 39.814 39.000 0.000 0.000 1.304 521 F HN 0.731 nan 8.300 nan 0.000 0.445 522 c N 3.246 121.784 118.600 -0.103 0.000 2.301 522 c HA 0.388 4.958 4.570 -0.000 0.000 0.323 522 c C 1.590 175.692 174.090 0.021 0.000 1.265 522 c CA -0.424 55.777 56.329 -0.213 0.000 1.503 522 c CB 0.906 43.330 42.510 -0.143 0.000 2.195 522 c HN 0.982 nan 8.230 nan 0.000 0.477 523 E N 1.898 122.109 120.200 0.017 0.000 2.164 523 E HA -0.220 4.130 4.350 -0.000 0.000 0.206 523 E C 0.791 177.454 176.600 0.106 0.000 1.032 523 E CA 1.778 58.296 56.400 0.197 0.000 0.832 523 E CB 0.114 29.886 29.700 0.121 0.000 0.742 523 E HN 0.871 nan 8.360 nan 0.000 0.460 524 Q N 1.633 121.451 119.800 0.030 0.000 2.655 524 Q HA 0.297 4.637 4.340 -0.000 0.000 0.228 524 Q C -0.362 175.649 176.000 0.019 0.000 1.186 524 Q CA -0.250 55.560 55.803 0.012 0.000 1.004 524 Q CB 0.803 29.529 28.738 -0.019 0.000 1.242 524 Q HN -0.151 nan 8.270 nan 0.000 0.558 525 E N 1.226 121.454 120.200 0.047 0.000 2.404 525 E HA 0.061 4.411 4.350 -0.000 0.000 0.261 525 E C -0.833 175.810 176.600 0.072 0.000 1.074 525 E CA -0.306 56.135 56.400 0.069 0.000 0.917 525 E CB 0.533 30.279 29.700 0.077 0.000 0.965 525 E HN 0.571 nan 8.360 nan 0.000 0.433 526 F N 2.544 122.472 119.950 -0.035 0.000 2.495 526 F HA 0.061 4.588 4.527 -0.000 0.000 0.365 526 F C 0.332 176.118 175.800 -0.025 0.000 1.090 526 F CA 0.051 58.027 58.000 -0.041 0.000 1.235 526 F CB 0.377 39.347 39.000 -0.050 0.000 1.119 526 F HN 0.295 nan 8.300 nan 0.000 0.562 527 E N 5.772 125.523 120.200 -0.748 0.000 2.415 527 E HA 0.332 4.682 4.350 -0.000 0.000 0.302 527 E C -1.714 174.526 176.600 -0.600 0.000 0.907 527 E CA -1.087 54.996 56.400 -0.528 0.000 0.798 527 E CB 1.624 31.193 29.700 -0.218 0.000 1.315 527 E HN 0.500 nan 8.360 nan 0.000 0.396 528 Q N 0.000 119.493 119.800 -0.512 0.000 2.315 528 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 528 Q CA 0.000 55.614 55.803 -0.315 0.000 1.022 528 Q CB 0.000 28.546 28.738 -0.320 0.000 1.108 528 Q HN 0.000 nan 8.270 nan 0.000 0.481