REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2gk1_1_G 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 0.000 176.876 176.870 0.010 0.000 1.165 23 L CA 0.000 54.808 54.840 -0.054 0.000 0.813 23 L CB 0.000 41.880 42.059 -0.299 0.000 0.961 24 W N 8.185 129.256 121.300 -0.381 0.000 2.900 24 W HA 0.614 5.273 4.660 -0.000 0.000 0.336 24 W C -2.732 173.453 176.519 -0.557 0.000 1.064 24 W CA -1.367 55.698 57.345 -0.467 0.000 1.237 24 W CB 2.658 31.689 29.460 -0.714 0.000 1.391 24 W HN 0.367 nan 8.180 nan 0.000 0.468 25 P HA 0.034 nan 4.420 nan 0.000 0.276 25 P C -0.211 176.869 177.300 -0.366 0.000 1.261 25 P CA -0.099 62.585 63.100 -0.693 0.000 0.800 25 P CB 1.196 32.601 31.700 -0.492 0.000 1.066 26 W N 2.214 123.248 121.300 -0.444 0.000 2.304 26 W HA 0.190 4.850 4.660 -0.000 0.000 0.313 26 W C -2.469 174.019 176.519 -0.052 0.000 1.323 26 W CA -1.851 55.359 57.345 -0.225 0.000 1.223 26 W CB 0.372 29.747 29.460 -0.142 0.000 1.237 26 W HN 0.291 nan 8.180 nan 0.000 0.535 27 P HA -0.095 nan 4.420 nan 0.000 0.269 27 P C 0.810 177.970 177.300 -0.233 0.000 1.209 27 P CA 0.368 63.264 63.100 -0.338 0.000 0.776 27 P CB 0.757 32.200 31.700 -0.429 0.000 0.876 28 Q N 1.477 121.147 119.800 -0.217 0.000 2.014 28 Q HA -0.116 4.224 4.340 -0.000 0.000 0.207 28 Q C 0.078 176.044 176.000 -0.057 0.000 0.993 28 Q CA 1.757 57.413 55.803 -0.244 0.000 0.850 28 Q CB -0.378 27.946 28.738 -0.689 0.000 0.916 28 Q HN 0.591 nan 8.270 nan 0.000 0.417 29 N N -0.332 118.340 118.700 -0.047 0.000 2.569 29 N HA 0.246 4.986 4.740 -0.000 0.000 0.254 29 N C -1.567 173.985 175.510 0.069 0.000 1.004 29 N CA -0.122 52.955 53.050 0.045 0.000 0.904 29 N CB 1.014 39.533 38.487 0.053 0.000 1.165 29 N HN 0.016 nan 8.380 nan 0.000 0.513 30 F N 2.411 122.313 119.950 -0.080 0.000 2.434 30 F HA 0.244 4.771 4.527 -0.000 0.000 0.367 30 F C 0.011 175.824 175.800 0.022 0.000 1.093 30 F CA -0.694 57.230 58.000 -0.125 0.000 1.085 30 F CB 0.916 39.635 39.000 -0.468 0.000 1.322 30 F HN 0.283 nan 8.300 nan 0.000 0.452 31 Q N 4.334 123.887 119.800 -0.411 0.000 2.267 31 Q HA 0.335 4.675 4.340 -0.000 0.000 0.255 31 Q C -0.487 175.105 176.000 -0.680 0.000 0.923 31 Q CA -0.112 55.462 55.803 -0.380 0.000 0.925 31 Q CB 1.465 30.101 28.738 -0.170 0.000 1.195 31 Q HN 0.712 nan 8.270 nan 0.000 0.417 32 T N 1.552 115.819 114.554 -0.480 0.000 2.926 32 T HA 0.737 5.087 4.350 -0.000 0.000 0.289 32 T C -1.259 173.357 174.700 -0.141 0.000 1.054 32 T CA -0.349 61.517 62.100 -0.390 0.000 1.015 32 T CB 1.732 70.482 68.868 -0.196 0.000 1.167 32 T HN 0.582 nan 8.240 nan 0.000 0.526 33 S N -0.096 115.562 115.700 -0.071 0.000 2.636 33 S HA 0.372 4.842 4.470 -0.000 0.000 0.266 33 S C -0.753 173.829 174.600 -0.030 0.000 1.147 33 S CA -0.498 57.678 58.200 -0.039 0.000 0.815 33 S CB 1.443 64.622 63.200 -0.035 0.000 1.119 33 S HN 0.731 nan 8.310 nan 0.000 0.470 34 D N 0.942 121.317 120.400 -0.042 0.000 2.354 34 D HA 0.158 4.798 4.640 -0.000 0.000 0.209 34 D C 0.012 176.268 176.300 -0.074 0.000 1.015 34 D CA 0.511 54.478 54.000 -0.056 0.000 0.867 34 D CB 0.178 40.944 40.800 -0.056 0.000 0.933 34 D HN 0.451 nan 8.370 nan 0.000 0.520 35 Q N 1.224 120.971 119.800 -0.088 0.000 2.274 35 Q HA 0.114 4.454 4.340 -0.000 0.000 0.280 35 Q C 0.359 176.190 176.000 -0.281 0.000 1.047 35 Q CA 0.502 56.210 55.803 -0.159 0.000 0.907 35 Q CB 0.748 29.407 28.738 -0.132 0.000 1.171 35 Q HN 0.204 nan 8.270 nan 0.000 0.381 36 R N 1.385 121.680 120.500 -0.342 0.000 2.892 36 R HA 0.672 5.012 4.340 -0.000 0.000 0.265 36 R C -1.159 174.869 176.300 -0.454 0.000 1.025 36 R CA -0.882 55.034 56.100 -0.306 0.000 0.982 36 R CB 1.308 31.512 30.300 -0.159 0.000 1.185 36 R HN 0.473 nan 8.270 nan 0.000 0.484 37 Y N -0.436 120.029 120.300 0.275 0.000 2.545 37 Y HA 0.463 5.013 4.550 -0.000 0.000 0.348 37 Y C -0.345 175.692 175.900 0.228 0.000 1.002 37 Y CA -1.408 56.834 58.100 0.236 0.000 1.039 37 Y CB 2.469 41.041 38.460 0.187 0.000 1.271 37 Y HN 0.208 nan 8.280 nan 0.000 0.467 38 V N 3.690 123.732 119.914 0.214 0.000 2.567 38 V HA 0.402 4.522 4.120 -0.000 0.000 0.289 38 V C -0.086 175.848 176.094 -0.266 0.000 1.049 38 V CA -0.740 61.434 62.300 -0.210 0.000 0.969 38 V CB 1.116 32.759 31.823 -0.299 0.000 0.995 38 V HN 0.566 nan 8.190 nan 0.000 0.471 39 L N 3.463 124.411 121.223 -0.458 0.000 2.313 39 L HA 0.586 4.926 4.340 -0.000 0.000 0.268 39 L C -1.282 175.176 176.870 -0.687 0.000 1.010 39 L CA -0.754 53.863 54.840 -0.373 0.000 0.814 39 L CB 1.794 43.693 42.059 -0.266 0.000 1.304 39 L HN 0.560 nan 8.230 nan 0.000 0.441 40 Y N 0.606 120.740 120.300 -0.276 0.000 2.705 40 Y HA 0.250 4.800 4.550 -0.000 0.000 0.355 40 Y C -1.761 173.784 175.900 -0.591 0.000 1.039 40 Y CA -1.649 56.257 58.100 -0.324 0.000 1.233 40 Y CB 0.690 39.053 38.460 -0.162 0.000 1.103 40 Y HN 0.375 nan 8.280 nan 0.000 0.624 41 P HA -0.283 nan 4.420 nan 0.000 0.225 41 P C 0.596 177.481 177.300 -0.691 0.000 1.154 41 P CA 1.898 64.148 63.100 -1.415 0.000 0.885 41 P CB 0.459 31.635 31.700 -0.874 0.000 0.785 42 N N -2.809 115.699 118.700 -0.321 0.000 2.414 42 N HA -0.011 4.729 4.740 -0.000 0.000 0.177 42 N C 0.888 176.336 175.510 -0.104 0.000 1.062 42 N CA 0.388 53.346 53.050 -0.153 0.000 0.890 42 N CB -0.734 37.696 38.487 -0.094 0.000 1.070 42 N HN 0.047 nan 8.380 nan 0.000 0.454 43 N N -0.146 118.499 118.700 -0.091 0.000 2.378 43 N HA 0.142 4.882 4.740 -0.000 0.000 0.243 43 N C -1.378 174.103 175.510 -0.048 0.000 1.137 43 N CA -0.179 52.818 53.050 -0.087 0.000 0.862 43 N CB -0.137 38.261 38.487 -0.147 0.000 1.116 43 N HN 0.004 nan 8.380 nan 0.000 0.499 44 F N 1.518 121.330 119.950 -0.230 0.000 2.467 44 F HA 0.379 4.906 4.527 -0.000 0.000 0.336 44 F C -0.626 175.003 175.800 -0.285 0.000 1.123 44 F CA -0.679 57.168 58.000 -0.256 0.000 0.964 44 F CB 1.033 39.848 39.000 -0.310 0.000 1.136 44 F HN 0.107 nan 8.300 nan 0.000 0.447 45 Q N 4.908 124.216 119.800 -0.821 0.000 2.389 45 Q HA 0.476 4.816 4.340 -0.000 0.000 0.277 45 Q C -2.030 173.388 176.000 -0.970 0.000 1.082 45 Q CA -0.854 54.547 55.803 -0.670 0.000 0.810 45 Q CB 2.355 30.876 28.738 -0.361 0.000 1.374 45 Q HN 0.548 nan 8.270 nan 0.000 0.422 46 F N 1.823 121.454 119.950 -0.532 0.000 2.411 46 F HA 0.314 4.841 4.527 -0.000 0.000 0.355 46 F C 0.139 175.370 175.800 -0.948 0.000 1.117 46 F CA -0.409 57.126 58.000 -0.775 0.000 1.139 46 F CB 1.371 39.784 39.000 -0.977 0.000 1.120 46 F HN 0.529 nan 8.300 nan 0.000 0.493 47 Q N 1.906 121.346 119.800 -0.599 0.000 2.394 47 Q HA 0.564 4.904 4.340 -0.000 0.000 0.273 47 Q C -1.538 174.211 176.000 -0.417 0.000 1.089 47 Q CA -1.094 54.417 55.803 -0.486 0.000 0.812 47 Q CB 1.796 30.375 28.738 -0.265 0.000 1.353 47 Q HN 0.541 nan 8.270 nan 0.000 0.438 48 Y N 0.264 120.472 120.300 -0.153 0.000 2.240 48 Y HA 0.294 4.844 4.550 -0.000 0.000 0.341 48 Y C 0.197 176.062 175.900 -0.059 0.000 1.326 48 Y CA -0.119 57.947 58.100 -0.057 0.000 1.569 48 Y CB 0.558 39.015 38.460 -0.006 0.000 1.426 48 Y HN 0.725 nan 8.280 nan 0.000 0.587 49 D N -1.490 118.998 120.400 0.147 0.000 2.326 49 D HA 0.293 4.933 4.640 -0.000 0.000 0.248 49 D C 0.700 177.031 176.300 0.052 0.000 1.001 49 D CA -0.447 53.590 54.000 0.062 0.000 0.961 49 D CB 1.673 42.494 40.800 0.035 0.000 1.183 49 D HN 0.295 nan 8.370 nan 0.000 0.502 50 V N -0.585 119.342 119.914 0.021 0.000 2.759 50 V HA -0.056 4.064 4.120 -0.000 0.000 0.256 50 V C 1.082 177.178 176.094 0.004 0.000 1.080 50 V CA 1.720 64.024 62.300 0.006 0.000 1.101 50 V CB -0.738 31.083 31.823 -0.003 0.000 0.698 50 V HN 0.456 nan 8.190 nan 0.000 0.477 51 S N -0.113 115.594 115.700 0.011 0.000 2.582 51 S HA 0.286 4.756 4.470 -0.000 0.000 0.234 51 S C 0.784 175.395 174.600 0.017 0.000 0.961 51 S CA 0.319 58.524 58.200 0.009 0.000 0.953 51 S CB -0.127 63.078 63.200 0.009 0.000 0.800 51 S HN 0.662 nan 8.310 nan 0.000 0.471 52 S N 0.956 116.673 115.700 0.029 0.000 2.584 52 S HA 0.678 5.148 4.470 -0.000 0.000 0.273 52 S C 1.190 175.796 174.600 0.009 0.000 1.311 52 S CA -0.132 58.095 58.200 0.044 0.000 1.034 52 S CB 1.237 64.503 63.200 0.111 0.000 0.939 52 S HN 0.405 nan 8.310 nan 0.000 0.513 53 A N 4.207 127.029 122.820 0.004 0.000 1.861 53 A HA 0.527 4.847 4.320 -0.000 0.000 0.212 53 A C 1.250 178.804 177.584 -0.051 0.000 1.199 53 A CA 0.836 52.859 52.037 -0.024 0.000 0.613 53 A CB -1.094 17.892 19.000 -0.024 0.000 0.846 53 A HN 1.260 nan 8.150 nan 0.000 0.446 54 A N -0.484 122.308 122.820 -0.046 0.000 2.328 54 A HA 0.611 4.931 4.320 -0.000 0.000 0.284 54 A C -0.165 177.313 177.584 -0.176 0.000 1.160 54 A CA -0.176 51.808 52.037 -0.088 0.000 0.818 54 A CB 0.694 19.656 19.000 -0.064 0.000 1.087 54 A HN 0.455 nan 8.150 nan 0.000 0.504 55 Q N 1.070 120.644 119.800 -0.377 0.000 2.892 55 Q HA 0.570 4.910 4.340 -0.000 0.000 0.307 55 Q C -2.862 172.588 176.000 -0.916 0.000 1.039 55 Q CA -1.926 53.443 55.803 -0.724 0.000 0.792 55 Q CB 1.587 30.119 28.738 -0.343 0.000 1.504 55 Q HN 0.421 nan 8.270 nan 0.000 0.487 56 P HA 0.122 nan 4.420 nan 0.000 0.260 56 P C -0.190 176.996 177.300 -0.190 0.000 1.172 56 P CA 1.743 64.629 63.100 -0.357 0.000 0.760 56 P CB 0.264 31.885 31.700 -0.131 0.000 0.773 57 G N 2.218 110.967 108.800 -0.085 0.000 2.168 57 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.197 57 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.197 57 G C 0.227 175.092 174.900 -0.059 0.000 0.997 57 G CA -0.223 44.843 45.100 -0.056 0.000 0.658 57 G HN 0.724 nan 8.290 nan 0.000 0.513 58 c N 3.455 122.017 118.600 -0.064 0.000 2.210 58 c HA 0.612 5.182 4.570 -0.000 0.000 0.377 58 c C 2.475 176.558 174.090 -0.012 0.000 1.037 58 c CA 0.603 56.906 56.329 -0.043 0.000 1.405 58 c CB -1.607 40.894 42.510 -0.016 0.000 1.802 58 c HN 1.014 nan 8.230 nan 0.000 0.495 59 S N 3.642 119.331 115.700 -0.019 0.000 2.390 59 S HA -0.213 4.257 4.470 -0.000 0.000 0.234 59 S C 1.653 176.234 174.600 -0.031 0.000 1.063 59 S CA 2.313 60.509 58.200 -0.007 0.000 1.108 59 S CB -0.848 62.355 63.200 0.006 0.000 0.975 59 S HN 0.663 nan 8.310 nan 0.000 0.442 60 V N 3.007 122.890 119.914 -0.052 0.000 2.214 60 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 60 V C 2.675 178.656 176.094 -0.189 0.000 1.051 60 V CA 2.292 64.547 62.300 -0.073 0.000 1.003 60 V CB -1.084 30.692 31.823 -0.078 0.000 0.635 60 V HN 0.512 nan 8.190 nan 0.000 0.447 61 L N -0.232 120.827 121.223 -0.274 0.000 2.079 61 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 61 L C 2.402 178.871 176.870 -0.669 0.000 1.081 61 L CA 1.649 56.095 54.840 -0.656 0.000 0.752 61 L CB -1.098 40.678 42.059 -0.473 0.000 0.896 61 L HN 0.396 nan 8.230 nan 0.000 0.433 62 D N 0.381 120.710 120.400 -0.118 0.000 2.156 62 D HA -0.203 4.437 4.640 -0.000 0.000 0.190 62 D C 2.130 178.439 176.300 0.015 0.000 0.998 62 D CA 1.434 55.488 54.000 0.090 0.000 0.842 62 D CB -0.212 40.642 40.800 0.090 0.000 0.974 62 D HN 0.283 nan 8.370 nan 0.000 0.447 63 E N 0.554 120.731 120.200 -0.038 0.000 2.110 63 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 63 E C 2.072 178.637 176.600 -0.058 0.000 0.988 63 E CA 0.890 57.274 56.400 -0.027 0.000 0.804 63 E CB -0.400 29.276 29.700 -0.040 0.000 0.745 63 E HN 0.270 nan 8.360 nan 0.000 0.458 64 A N 1.064 123.777 122.820 -0.178 0.000 1.877 64 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 64 A C 2.015 179.502 177.584 -0.161 0.000 1.186 64 A CA 1.182 53.116 52.037 -0.171 0.000 0.620 64 A CB -0.818 17.965 19.000 -0.362 0.000 0.822 64 A HN 0.131 nan 8.150 nan 0.000 0.443 65 F N 0.481 120.301 119.950 -0.217 0.000 2.120 65 F HA -0.221 4.306 4.527 -0.000 0.000 0.300 65 F C 2.763 178.536 175.800 -0.045 0.000 1.095 65 F CA 1.522 59.283 58.000 -0.398 0.000 1.249 65 F CB -0.748 38.135 39.000 -0.195 0.000 0.995 65 F HN 0.270 nan 8.300 nan 0.000 0.480 66 Q N -0.207 119.725 119.800 0.220 0.000 2.123 66 Q HA -0.148 4.192 4.340 -0.000 0.000 0.199 66 Q C 2.425 178.511 176.000 0.144 0.000 0.966 66 Q CA 1.016 56.937 55.803 0.197 0.000 0.845 66 Q CB -0.442 28.380 28.738 0.140 0.000 0.907 66 Q HN 0.426 nan 8.270 nan 0.000 0.439 67 R N -0.222 120.333 120.500 0.092 0.000 2.073 67 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 67 R C 1.733 178.028 176.300 -0.009 0.000 1.134 67 R CA 1.333 57.443 56.100 0.016 0.000 0.952 67 R CB -0.075 30.205 30.300 -0.033 0.000 0.850 67 R HN 0.215 nan 8.270 nan 0.000 0.433 68 Y N 0.074 120.368 120.300 -0.010 0.000 2.475 68 Y HA -0.038 4.512 4.550 -0.000 0.000 0.289 68 Y C 2.346 178.341 175.900 0.159 0.000 1.121 68 Y CA 1.130 59.244 58.100 0.023 0.000 1.257 68 Y CB 0.124 38.539 38.460 -0.074 0.000 1.026 68 Y HN 0.170 nan 8.280 nan 0.000 0.555 69 R N 0.188 120.951 120.500 0.437 0.000 2.090 69 R HA -0.142 4.198 4.340 -0.000 0.000 0.228 69 R C 1.585 178.021 176.300 0.227 0.000 1.110 69 R CA 1.980 58.386 56.100 0.510 0.000 0.973 69 R CB -0.646 30.033 30.300 0.633 0.000 0.869 69 R HN 0.173 nan 8.270 nan 0.000 0.440 70 D N 0.066 120.554 120.400 0.147 0.000 2.224 70 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 70 D C 1.662 177.942 176.300 -0.033 0.000 0.965 70 D CA 0.545 54.581 54.000 0.061 0.000 0.852 70 D CB 0.137 40.967 40.800 0.049 0.000 0.947 70 D HN 0.230 nan 8.370 nan 0.000 0.494 71 L N -0.025 121.151 121.223 -0.078 0.000 2.056 71 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 71 L C 2.115 178.845 176.870 -0.232 0.000 1.078 71 L CA 1.003 55.745 54.840 -0.164 0.000 0.749 71 L CB -0.504 41.417 42.059 -0.230 0.000 0.901 71 L HN 0.204 nan 8.230 nan 0.000 0.433 72 L N -1.849 119.145 121.223 -0.381 0.000 2.095 72 L HA -0.018 4.322 4.340 -0.000 0.000 0.204 72 L C 0.584 176.944 176.870 -0.849 0.000 1.080 72 L CA 1.404 55.745 54.840 -0.832 0.000 0.759 72 L CB -0.710 40.402 42.059 -1.578 0.000 0.914 72 L HN 0.151 nan 8.230 nan 0.000 0.439 73 F N -0.825 119.076 119.950 -0.081 0.000 2.577 73 F HA 0.577 5.104 4.527 -0.000 0.000 0.342 73 F C 0.775 176.542 175.800 -0.055 0.000 1.479 73 F CA -0.924 56.989 58.000 -0.144 0.000 1.110 73 F CB -0.254 38.597 39.000 -0.248 0.000 1.306 73 F HN -0.132 nan 8.300 nan 0.000 0.554 90 L N -0.282 121.085 121.223 0.239 0.000 2.591 90 L HA 0.877 5.217 4.340 -0.000 0.000 0.257 90 L C -1.896 175.076 176.870 0.169 0.000 0.935 90 L CA -0.854 54.131 54.840 0.242 0.000 0.873 90 L CB 1.975 44.234 42.059 0.335 0.000 1.397 90 L HN 0.249 nan 8.230 nan 0.000 0.414 91 E N 1.507 121.833 120.200 0.210 0.000 2.218 91 E HA 0.408 4.758 4.350 -0.000 0.000 0.263 91 E C -0.719 176.058 176.600 0.295 0.000 0.879 91 E CA -0.508 55.997 56.400 0.176 0.000 0.762 91 E CB 2.716 32.524 29.700 0.180 0.000 1.166 91 E HN 0.666 nan 8.360 nan 0.000 0.415 92 K N 0.838 121.317 120.400 0.131 0.000 2.367 92 K HA 0.202 4.522 4.320 -0.000 0.000 0.195 92 K C 0.151 176.491 176.600 -0.433 0.000 1.060 92 K CA 0.180 56.491 56.287 0.040 0.000 1.022 92 K CB 0.509 32.971 32.500 -0.063 0.000 0.894 92 K HN 0.174 nan 8.250 nan 0.000 0.540 93 N N -0.297 118.152 118.700 -0.418 0.000 2.265 93 N HA 0.297 5.037 4.740 -0.000 0.000 0.300 93 N C -1.825 173.375 175.510 -0.515 0.000 1.148 93 N CA -0.647 52.030 53.050 -0.622 0.000 0.772 93 N CB 2.489 40.754 38.487 -0.369 0.000 1.434 93 N HN -0.212 nan 8.380 nan 0.000 0.481 94 V N 2.989 122.544 119.914 -0.599 0.000 2.409 94 V HA 0.492 4.612 4.120 -0.000 0.000 0.290 94 V C -1.130 174.800 176.094 -0.274 0.000 1.017 94 V CA -0.656 61.429 62.300 -0.359 0.000 0.841 94 V CB 0.451 32.033 31.823 -0.402 0.000 1.003 94 V HN 0.458 nan 8.190 nan 0.000 0.426 95 L N 7.055 128.170 121.223 -0.180 0.000 2.305 95 L HA 0.693 5.033 4.340 -0.000 0.000 0.281 95 L C -0.506 176.313 176.870 -0.084 0.000 1.085 95 L CA -0.552 54.207 54.840 -0.134 0.000 0.813 95 L CB 1.407 43.413 42.059 -0.088 0.000 1.157 95 L HN 0.368 nan 8.230 nan 0.000 0.436 96 V N 4.175 124.046 119.914 -0.072 0.000 2.482 96 V HA 0.356 4.476 4.120 -0.000 0.000 0.295 96 V C -0.470 175.655 176.094 0.052 0.000 1.026 96 V CA -0.617 61.675 62.300 -0.012 0.000 0.856 96 V CB 2.221 34.041 31.823 -0.006 0.000 1.001 96 V HN 0.516 nan 8.190 nan 0.000 0.424 97 V N 4.550 124.498 119.914 0.056 0.000 2.350 97 V HA 0.634 4.754 4.120 -0.000 0.000 0.285 97 V C 0.019 176.151 176.094 0.063 0.000 1.014 97 V CA 0.183 62.525 62.300 0.070 0.000 0.831 97 V CB 1.918 33.771 31.823 0.049 0.000 1.000 97 V HN 0.858 nan 8.190 nan 0.000 0.433 98 S N 3.940 119.679 115.700 0.065 0.000 2.525 98 S HA 0.455 4.925 4.470 -0.000 0.000 0.278 98 S C 0.830 175.443 174.600 0.022 0.000 1.234 98 S CA -0.092 58.129 58.200 0.036 0.000 1.058 98 S CB 1.639 64.846 63.200 0.011 0.000 0.983 98 S HN 1.085 nan 8.310 nan 0.000 0.495 99 V N 4.080 124.005 119.914 0.018 0.000 2.326 99 V HA 0.242 4.362 4.120 -0.000 0.000 0.238 99 V C 0.773 176.865 176.094 -0.002 0.000 1.038 99 V CA 0.528 62.835 62.300 0.011 0.000 1.032 99 V CB -0.966 30.868 31.823 0.017 0.000 0.675 99 V HN 0.545 nan 8.190 nan 0.000 0.467 100 V N 2.039 121.949 119.914 -0.006 0.000 2.811 100 V HA 0.202 4.322 4.120 -0.000 0.000 0.302 100 V C 1.544 177.615 176.094 -0.038 0.000 1.063 100 V CA 1.111 63.402 62.300 -0.015 0.000 1.088 100 V CB 0.608 32.427 31.823 -0.006 0.000 0.982 100 V HN 0.653 nan 8.190 nan 0.000 0.485 101 T N 2.931 117.462 114.554 -0.039 0.000 3.046 101 T HA 0.128 4.478 4.350 -0.000 0.000 0.242 101 T C -1.646 173.011 174.700 -0.072 0.000 1.018 101 T CA 0.015 62.082 62.100 -0.054 0.000 1.131 101 T CB -0.743 68.102 68.868 -0.038 0.000 0.904 101 T HN 0.558 nan 8.240 nan 0.000 0.459 102 P HA 0.037 nan 4.420 nan 0.000 0.090 102 P C 0.850 178.116 177.300 -0.057 0.000 0.629 102 P CA 1.184 64.265 63.100 -0.031 0.000 1.141 102 P CB -1.162 30.539 31.700 0.002 0.000 1.625 103 G N 1.848 110.613 108.800 -0.059 0.000 2.707 103 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.279 103 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.279 103 G C 0.551 175.374 174.900 -0.129 0.000 1.345 103 G CA -0.105 44.955 45.100 -0.067 0.000 0.912 103 G HN 0.478 nan 8.290 nan 0.000 0.563 104 c N -0.098 118.439 118.600 -0.104 0.000 3.365 104 c HA 0.377 4.947 4.570 -0.000 0.000 0.266 104 c C 1.711 175.784 174.090 -0.029 0.000 1.631 104 c CA 0.001 56.244 56.329 -0.144 0.000 1.789 104 c CB -1.314 41.115 42.510 -0.134 0.000 3.088 104 c HN 0.684 nan 8.230 nan 0.000 0.547 105 N N 0.754 119.463 118.700 0.015 0.000 2.510 105 N HA -0.001 4.739 4.740 -0.000 0.000 0.186 105 N C 0.108 175.691 175.510 0.123 0.000 1.051 105 N CA 0.118 53.206 53.050 0.064 0.000 0.877 105 N CB 0.272 38.783 38.487 0.040 0.000 1.183 105 N HN 0.542 nan 8.380 nan 0.000 0.443 106 Q N 2.284 122.168 119.800 0.140 0.000 2.327 106 Q HA 0.254 4.594 4.340 -0.000 0.000 0.254 106 Q C 0.039 176.237 176.000 0.330 0.000 0.952 106 Q CA -0.266 55.654 55.803 0.194 0.000 0.884 106 Q CB 0.394 29.232 28.738 0.166 0.000 1.224 106 Q HN 0.087 nan 8.270 nan 0.000 0.422 107 L N 0.093 121.469 121.223 0.255 0.000 2.439 107 L HA 0.512 4.852 4.340 -0.000 0.000 0.269 107 L C -2.119 174.860 176.870 0.183 0.000 1.179 107 L CA -2.029 52.936 54.840 0.209 0.000 0.828 107 L CB -0.856 41.284 42.059 0.135 0.000 1.106 107 L HN 0.597 nan 8.230 nan 0.000 0.467 108 P HA 0.241 nan 4.420 nan 0.000 0.272 108 P C -0.393 176.862 177.300 -0.075 0.000 1.223 108 P CA 0.021 62.922 63.100 -0.332 0.000 0.784 108 P CB 1.028 32.109 31.700 -1.031 0.000 0.923 109 T N -1.463 113.095 114.554 0.007 0.000 2.887 109 T HA 0.252 4.602 4.350 -0.000 0.000 0.292 109 T C 0.930 175.665 174.700 0.058 0.000 1.087 109 T CA -0.826 61.319 62.100 0.076 0.000 1.009 109 T CB 0.943 69.884 68.868 0.122 0.000 1.203 109 T HN 0.142 nan 8.240 nan 0.000 0.518 110 L N 0.614 121.890 121.223 0.087 0.000 2.129 110 L HA -0.025 4.315 4.340 -0.000 0.000 0.212 110 L C 2.243 179.152 176.870 0.064 0.000 1.087 110 L CA 1.979 56.861 54.840 0.069 0.000 0.757 110 L CB -0.750 41.345 42.059 0.060 0.000 0.896 110 L HN 0.810 nan 8.230 nan 0.000 0.434 111 E N -0.628 119.608 120.200 0.059 0.000 2.274 111 E HA 0.001 4.351 4.350 -0.000 0.000 0.194 111 E C 0.984 177.636 176.600 0.088 0.000 0.996 111 E CA 0.334 56.766 56.400 0.052 0.000 0.840 111 E CB -0.091 29.624 29.700 0.025 0.000 0.772 111 E HN 0.370 nan 8.360 nan 0.000 0.491 112 S N 0.219 115.995 115.700 0.127 0.000 2.558 112 S HA 0.067 4.537 4.470 -0.000 0.000 0.288 112 S C 0.064 174.779 174.600 0.192 0.000 1.318 112 S CA -0.382 57.946 58.200 0.213 0.000 1.056 112 S CB 0.722 64.110 63.200 0.314 0.000 0.853 112 S HN -0.053 nan 8.310 nan 0.000 0.505 113 V N 3.049 123.087 119.914 0.208 0.000 2.644 113 V HA 0.295 4.415 4.120 -0.000 0.000 0.295 113 V C 0.688 176.924 176.094 0.237 0.000 1.053 113 V CA -0.296 62.102 62.300 0.163 0.000 0.987 113 V CB 1.551 33.437 31.823 0.105 0.000 1.006 113 V HN 0.959 nan 8.190 nan 0.000 0.472 114 E N 1.288 121.620 120.200 0.221 0.000 2.758 114 E HA 0.217 4.567 4.350 -0.000 0.000 0.215 114 E C -0.506 176.307 176.600 0.354 0.000 0.985 114 E CA -0.291 56.305 56.400 0.327 0.000 1.102 114 E CB 0.360 30.288 29.700 0.380 0.000 1.042 114 E HN 0.662 nan 8.360 nan 0.000 0.480 115 N N 1.511 120.350 118.700 0.232 0.000 2.475 115 N HA 0.136 4.876 4.740 -0.000 0.000 0.267 115 N C -0.826 174.845 175.510 0.268 0.000 1.169 115 N CA 0.211 53.379 53.050 0.196 0.000 0.947 115 N CB 0.248 38.769 38.487 0.057 0.000 1.061 115 N HN 0.186 nan 8.380 nan 0.000 0.466 116 Y N -1.664 118.758 120.300 0.203 0.000 2.669 116 Y HA 0.802 5.352 4.550 -0.000 0.000 0.335 116 Y C -0.725 175.269 175.900 0.157 0.000 1.116 116 Y CA -1.219 56.976 58.100 0.159 0.000 1.081 116 Y CB 1.086 39.639 38.460 0.156 0.000 1.297 116 Y HN 0.381 nan 8.280 nan 0.000 0.484 117 T N 0.873 115.649 114.554 0.370 0.000 2.916 117 T HA 0.590 4.940 4.350 -0.000 0.000 0.298 117 T C -1.927 173.006 174.700 0.388 0.000 1.031 117 T CA -0.591 61.669 62.100 0.268 0.000 0.993 117 T CB 1.766 70.725 68.868 0.151 0.000 1.045 117 T HN 0.862 nan 8.240 nan 0.000 0.454 118 L N 2.723 124.169 121.223 0.370 0.000 2.342 118 L HA 0.658 4.998 4.340 -0.000 0.000 0.276 118 L C -0.641 176.376 176.870 0.245 0.000 0.997 118 L CA 0.003 55.034 54.840 0.318 0.000 0.838 118 L CB 1.486 43.778 42.059 0.388 0.000 1.224 118 L HN 0.974 nan 8.230 nan 0.000 0.416 119 T N 6.061 120.730 114.554 0.193 0.000 2.792 119 T HA 0.675 5.025 4.350 -0.000 0.000 0.280 119 T C -0.274 174.529 174.700 0.172 0.000 0.990 119 T CA -0.188 62.008 62.100 0.159 0.000 0.960 119 T CB 1.137 70.073 68.868 0.112 0.000 0.939 119 T HN 0.395 nan 8.240 nan 0.000 0.439 120 I N 4.702 125.390 120.570 0.197 0.000 2.500 120 I HA 0.417 4.587 4.170 -0.000 0.000 0.286 120 I C -0.384 175.881 176.117 0.247 0.000 1.063 120 I CA -0.669 60.766 61.300 0.226 0.000 1.062 120 I CB 1.216 39.419 38.000 0.339 0.000 1.223 120 I HN 0.735 nan 8.210 nan 0.000 0.435 121 N N 3.118 121.912 118.700 0.156 0.000 3.316 121 N HA 0.308 5.048 4.740 -0.000 0.000 0.300 121 N C -0.521 174.972 175.510 -0.028 0.000 1.567 121 N CA -0.685 52.483 53.050 0.197 0.000 0.821 121 N CB 0.862 39.438 38.487 0.149 0.000 1.748 121 N HN 0.202 nan 8.380 nan 0.000 0.603 122 D N 0.500 120.950 120.400 0.084 0.000 2.117 122 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 122 D C 0.794 177.064 176.300 -0.051 0.000 0.987 122 D CA 1.556 55.546 54.000 -0.017 0.000 0.829 122 D CB -0.191 40.676 40.800 0.111 0.000 0.961 122 D HN 0.447 nan 8.370 nan 0.000 0.460 123 D N 0.101 120.498 120.400 -0.004 0.000 2.144 123 D HA -0.048 4.592 4.640 -0.000 0.000 0.200 123 D C 0.992 177.277 176.300 -0.024 0.000 0.978 123 D CA 0.914 54.910 54.000 -0.006 0.000 0.833 123 D CB 0.048 40.856 40.800 0.014 0.000 0.961 123 D HN 0.508 nan 8.370 nan 0.000 0.470 124 Q N -1.396 118.388 119.800 -0.027 0.000 2.590 124 Q HA 0.490 4.830 4.340 -0.000 0.000 0.295 124 Q C -1.377 174.612 176.000 -0.018 0.000 0.973 124 Q CA -1.038 54.751 55.803 -0.023 0.000 0.768 124 Q CB 2.188 30.927 28.738 0.003 0.000 1.479 124 Q HN 0.064 nan 8.270 nan 0.000 0.419 125 C N 1.935 121.230 119.300 -0.010 0.000 2.949 125 C HA 0.613 5.073 4.460 -0.000 0.000 0.306 125 C C -1.386 173.609 174.990 0.008 0.000 1.045 125 C CA -0.281 58.751 59.018 0.024 0.000 1.414 125 C CB -0.333 27.415 27.740 0.013 0.000 1.854 125 C HN 0.763 nan 8.230 nan 0.000 0.487 126 L N 5.701 126.950 121.223 0.042 0.000 2.372 126 L HA 0.495 4.835 4.340 -0.000 0.000 0.273 126 L C -0.652 176.257 176.870 0.065 0.000 0.989 126 L CA -0.505 54.355 54.840 0.034 0.000 0.841 126 L CB 1.688 43.770 42.059 0.038 0.000 1.225 126 L HN 0.739 nan 8.230 nan 0.000 0.414 127 L N 6.138 127.383 121.223 0.037 0.000 2.328 127 L HA 0.265 4.605 4.340 -0.000 0.000 0.280 127 L C -0.604 176.311 176.870 0.075 0.000 1.111 127 L CA -0.546 54.330 54.840 0.061 0.000 0.909 127 L CB 0.826 42.877 42.059 -0.013 0.000 1.277 127 L HN 0.488 nan 8.230 nan 0.000 0.433 128 L N 5.212 126.506 121.223 0.118 0.000 2.268 128 L HA 0.429 4.769 4.340 -0.000 0.000 0.289 128 L C 0.015 176.977 176.870 0.153 0.000 1.064 128 L CA 0.244 55.150 54.840 0.109 0.000 0.824 128 L CB 0.983 43.097 42.059 0.092 0.000 1.202 128 L HN 0.571 nan 8.230 nan 0.000 0.433 129 S N 1.942 117.719 115.700 0.129 0.000 2.568 129 S HA 0.545 5.015 4.470 -0.000 0.000 0.302 129 S C 0.594 175.257 174.600 0.105 0.000 1.082 129 S CA -0.571 57.725 58.200 0.161 0.000 1.009 129 S CB 1.833 65.117 63.200 0.139 0.000 1.069 129 S HN 0.643 nan 8.310 nan 0.000 0.500 130 E N 2.068 122.335 120.200 0.113 0.000 1.998 130 E HA 0.063 4.413 4.350 -0.000 0.000 0.195 130 E C 0.539 177.163 176.600 0.040 0.000 0.994 130 E CA 1.618 58.059 56.400 0.069 0.000 0.835 130 E CB -0.496 29.246 29.700 0.069 0.000 0.786 130 E HN 0.843 nan 8.360 nan 0.000 0.467 131 T N -0.374 114.208 114.554 0.046 0.000 2.897 131 T HA 0.153 4.503 4.350 -0.000 0.000 0.278 131 T C 1.151 175.785 174.700 -0.110 0.000 0.981 131 T CA -0.132 61.946 62.100 -0.037 0.000 0.973 131 T CB 1.365 70.231 68.868 -0.003 0.000 1.092 131 T HN 0.034 nan 8.240 nan 0.000 0.543 132 V N -0.300 119.412 119.914 -0.337 0.000 2.594 132 V HA -0.095 4.025 4.120 -0.000 0.000 0.253 132 V C 1.251 177.134 176.094 -0.352 0.000 1.069 132 V CA 1.511 63.539 62.300 -0.453 0.000 1.082 132 V CB -0.655 30.730 31.823 -0.729 0.000 0.680 132 V HN 0.880 nan 8.190 nan 0.000 0.469 133 W N -0.344 120.977 121.300 0.035 0.000 2.800 133 W HA 0.222 4.882 4.660 -0.000 0.000 0.249 133 W C 2.239 178.809 176.519 0.086 0.000 1.294 133 W CA 0.195 57.569 57.345 0.049 0.000 1.402 133 W CB -0.462 29.043 29.460 0.075 0.000 1.126 133 W HN 0.292 nan 8.180 nan 0.000 0.652 134 G N 0.697 109.637 108.800 0.233 0.000 2.396 134 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.214 134 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.214 134 G C 1.688 176.649 174.900 0.103 0.000 1.166 134 G CA 0.987 46.238 45.100 0.252 0.000 0.793 134 G HN 0.240 nan 8.290 nan 0.000 0.533 135 A N 0.855 123.676 122.820 0.001 0.000 1.877 135 A HA 0.077 4.397 4.320 -0.000 0.000 0.216 135 A C 2.412 179.865 177.584 -0.217 0.000 1.186 135 A CA 1.245 53.214 52.037 -0.114 0.000 0.620 135 A CB -0.597 18.340 19.000 -0.104 0.000 0.822 135 A HN 0.321 nan 8.150 nan 0.000 0.443 136 L N -0.744 120.383 121.223 -0.159 0.000 2.010 136 L HA -0.333 4.007 4.340 -0.000 0.000 0.219 136 L C 2.963 179.700 176.870 -0.221 0.000 1.077 136 L CA 1.801 56.531 54.840 -0.183 0.000 0.773 136 L CB -0.570 41.495 42.059 0.010 0.000 0.892 136 L HN 0.369 nan 8.230 nan 0.000 0.436 137 R N -0.099 120.315 120.500 -0.144 0.000 2.080 137 R HA -0.125 4.215 4.340 -0.000 0.000 0.236 137 R C 2.259 178.252 176.300 -0.512 0.000 1.137 137 R CA 1.573 57.544 56.100 -0.216 0.000 0.943 137 R CB -1.691 28.633 30.300 0.039 0.000 0.846 137 R HN 0.462 nan 8.270 nan 0.000 0.431 138 G N 1.439 109.712 108.800 -0.879 0.000 2.475 138 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 138 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 138 G C 1.678 176.347 174.900 -0.384 0.000 1.125 138 G CA 0.579 45.104 45.100 -0.959 0.000 0.755 138 G HN 0.184 nan 8.290 nan 0.000 0.565 139 L N -0.191 120.795 121.223 -0.395 0.000 1.994 139 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 139 L C 2.812 179.536 176.870 -0.243 0.000 1.071 139 L CA 1.567 56.151 54.840 -0.427 0.000 0.745 139 L CB -0.433 41.049 42.059 -0.962 0.000 0.892 139 L HN 0.220 nan 8.230 nan 0.000 0.431 140 E N 0.110 120.184 120.200 -0.211 0.000 2.070 140 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 140 E C 2.001 178.635 176.600 0.057 0.000 1.004 140 E CA 2.287 58.767 56.400 0.134 0.000 0.805 140 E CB -0.314 29.450 29.700 0.108 0.000 0.744 140 E HN 0.302 nan 8.360 nan 0.000 0.451 141 T N 0.079 114.604 114.554 -0.048 0.000 2.708 141 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 141 T C 1.498 176.243 174.700 0.074 0.000 1.037 141 T CA 1.330 63.415 62.100 -0.025 0.000 1.146 141 T CB -0.601 68.264 68.868 -0.005 0.000 0.865 141 T HN 0.282 nan 8.240 nan 0.000 0.435 142 F N 2.572 122.520 119.950 -0.003 0.000 2.095 142 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 142 F C 2.688 178.556 175.800 0.112 0.000 1.104 142 F CA 1.755 59.807 58.000 0.087 0.000 1.232 142 F CB -0.663 38.410 39.000 0.121 0.000 0.987 142 F HN 0.223 nan 8.300 nan 0.000 0.475 143 S N -0.213 115.598 115.700 0.184 0.000 2.383 143 S HA -0.298 4.172 4.470 -0.000 0.000 0.229 143 S C 1.806 176.394 174.600 -0.021 0.000 1.030 143 S CA 1.589 59.841 58.200 0.086 0.000 1.002 143 S CB -0.934 62.404 63.200 0.231 0.000 0.829 143 S HN 0.697 nan 8.310 nan 0.000 0.467 144 Q N 0.093 119.899 119.800 0.010 0.000 2.472 144 Q HA 0.267 4.607 4.340 -0.000 0.000 0.208 144 Q C 1.789 177.803 176.000 0.023 0.000 0.958 144 Q CA 0.490 56.308 55.803 0.024 0.000 0.932 144 Q CB -0.144 28.599 28.738 0.008 0.000 1.007 144 Q HN 0.569 nan 8.270 nan 0.000 0.508 145 L N 0.003 121.206 121.223 -0.034 0.000 2.554 145 L HA 0.116 4.456 4.340 -0.000 0.000 0.225 145 L C 0.319 177.262 176.870 0.120 0.000 1.104 145 L CA -0.106 54.750 54.840 0.027 0.000 0.866 145 L CB 0.782 42.856 42.059 0.024 0.000 1.047 145 L HN -0.044 nan 8.230 nan 0.000 0.468 146 V N 1.438 121.321 119.914 -0.052 0.000 2.637 146 V HA 0.030 4.150 4.120 -0.000 0.000 0.296 146 V C -0.381 175.866 176.094 0.256 0.000 1.046 146 V CA -0.049 62.252 62.300 0.001 0.000 1.066 146 V CB 0.400 32.118 31.823 -0.174 0.000 0.968 146 V HN 0.324 nan 8.190 nan 0.000 0.483 147 W N 3.808 125.159 121.300 0.085 0.000 3.479 147 W HA 0.561 5.221 4.660 -0.000 0.000 0.304 147 W C -1.488 175.082 176.519 0.085 0.000 1.243 147 W CA -1.335 56.061 57.345 0.084 0.000 1.202 147 W CB 1.442 30.950 29.460 0.080 0.000 1.346 147 W HN 0.601 nan 8.180 nan 0.000 0.539 148 K N 1.954 122.378 120.400 0.040 0.000 2.274 148 K HA 0.541 4.861 4.320 -0.000 0.000 0.262 148 K C 0.336 176.952 176.600 0.026 0.000 0.961 148 K CA -0.414 55.710 56.287 -0.271 0.000 0.833 148 K CB 2.194 34.302 32.500 -0.653 0.000 1.102 148 K HN 0.443 nan 8.250 nan 0.000 0.436 149 S N 1.944 117.668 115.700 0.040 0.000 2.626 149 S HA 0.187 4.657 4.470 -0.000 0.000 0.257 149 S C 1.517 176.175 174.600 0.097 0.000 1.288 149 S CA -0.159 58.185 58.200 0.239 0.000 0.980 149 S CB 0.956 64.340 63.200 0.307 0.000 0.975 149 S HN 0.731 nan 8.310 nan 0.000 0.577 150 A N 0.388 123.276 122.820 0.113 0.000 1.997 150 A HA -0.154 4.166 4.320 -0.000 0.000 0.221 150 A C 1.911 179.506 177.584 0.019 0.000 1.172 150 A CA 2.075 54.147 52.037 0.058 0.000 0.645 150 A CB -1.138 17.899 19.000 0.062 0.000 0.813 150 A HN 0.903 nan 8.150 nan 0.000 0.454 151 E N -2.129 118.080 120.200 0.015 0.000 2.371 151 E HA 0.316 4.666 4.350 -0.000 0.000 0.194 151 E C 1.281 177.837 176.600 -0.073 0.000 1.012 151 E CA 0.762 57.153 56.400 -0.016 0.000 0.860 151 E CB 0.006 29.707 29.700 0.001 0.000 0.811 151 E HN 0.801 nan 8.360 nan 0.000 0.502 152 G N 0.403 109.126 108.800 -0.128 0.000 2.168 152 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.197 152 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.197 152 G C 0.233 174.869 174.900 -0.440 0.000 0.997 152 G CA 0.019 44.958 45.100 -0.269 0.000 0.658 152 G HN 0.204 nan 8.290 nan 0.000 0.513 153 T N 1.961 116.306 114.554 -0.349 0.000 2.769 153 T HA 0.449 4.799 4.350 -0.000 0.000 0.293 153 T C 0.263 174.496 174.700 -0.779 0.000 0.931 153 T CA 0.089 61.875 62.100 -0.524 0.000 1.139 153 T CB 0.424 68.986 68.868 -0.509 0.000 0.881 153 T HN 0.195 nan 8.240 nan 0.000 0.532 154 F N 3.654 123.228 119.950 -0.627 0.000 2.506 154 F HA 0.411 4.938 4.527 -0.000 0.000 0.371 154 F C 0.283 175.568 175.800 -0.858 0.000 1.078 154 F CA -0.252 57.410 58.000 -0.563 0.000 1.195 154 F CB 0.028 38.829 39.000 -0.331 0.000 1.099 154 F HN 0.450 nan 8.300 nan 0.000 0.548 155 F N 3.135 122.731 119.950 -0.590 0.000 2.654 155 F HA 0.760 5.287 4.527 -0.000 0.000 0.334 155 F C -0.626 174.885 175.800 -0.482 0.000 1.078 155 F CA -1.350 56.198 58.000 -0.754 0.000 0.986 155 F CB 1.828 39.892 39.000 -1.559 0.000 1.362 155 F HN 0.149 nan 8.300 nan 0.000 0.498 156 I N 1.350 122.034 120.570 0.190 0.000 2.731 156 I HA 0.327 4.496 4.170 -0.000 0.000 0.289 156 I C -1.785 174.585 176.117 0.421 0.000 1.399 156 I CA -0.290 61.215 61.300 0.342 0.000 1.048 156 I CB 1.638 39.791 38.000 0.256 0.000 1.345 156 I HN 0.515 nan 8.210 nan 0.000 0.425 157 N N 5.284 124.235 118.700 0.417 0.000 2.443 157 N HA 0.383 5.123 4.740 -0.000 0.000 0.295 157 N C -1.103 174.542 175.510 0.226 0.000 1.076 157 N CA -0.864 52.332 53.050 0.243 0.000 0.919 157 N CB 1.211 39.818 38.487 0.200 0.000 1.176 157 N HN 0.439 nan 8.380 nan 0.000 0.487 158 K N 0.705 121.173 120.400 0.113 0.000 2.364 158 K HA -0.107 4.213 4.320 -0.000 0.000 0.265 158 K C -0.683 175.997 176.600 0.132 0.000 1.189 158 K CA 0.731 57.128 56.287 0.183 0.000 1.224 158 K CB -0.376 32.165 32.500 0.069 0.000 0.813 158 K HN 0.525 nan 8.250 nan 0.000 0.490 159 T N 3.439 118.101 114.554 0.181 0.000 2.881 159 T HA 0.267 4.617 4.350 -0.000 0.000 0.290 159 T C -1.829 172.929 174.700 0.096 0.000 1.000 159 T CA -0.866 61.299 62.100 0.109 0.000 0.978 159 T CB 1.322 70.357 68.868 0.277 0.000 0.997 159 T HN 0.646 nan 8.240 nan 0.000 0.443 160 E N 4.917 125.106 120.200 -0.020 0.000 2.191 160 E HA 0.655 5.005 4.350 -0.000 0.000 0.263 160 E C -1.408 175.203 176.600 0.018 0.000 0.881 160 E CA -0.631 55.784 56.400 0.024 0.000 0.757 160 E CB 0.641 30.342 29.700 0.002 0.000 1.147 160 E HN 0.681 nan 8.360 nan 0.000 0.414 161 I N 3.375 124.018 120.570 0.123 0.000 2.686 161 I HA 0.384 4.554 4.170 -0.000 0.000 0.295 161 I C -0.565 175.603 176.117 0.085 0.000 1.114 161 I CA -0.806 60.583 61.300 0.148 0.000 1.038 161 I CB 2.364 40.530 38.000 0.277 0.000 1.238 161 I HN 0.494 nan 8.210 nan 0.000 0.420 162 E N 3.791 124.008 120.200 0.028 0.000 2.675 162 E HA 0.379 4.729 4.350 -0.000 0.000 0.236 162 E C -1.559 175.012 176.600 -0.048 0.000 1.059 162 E CA -0.640 55.763 56.400 0.005 0.000 0.775 162 E CB 1.901 31.641 29.700 0.067 0.000 1.356 162 E HN 0.399 nan 8.360 nan 0.000 0.403 163 D N 2.329 122.550 120.400 -0.299 0.000 2.326 163 D HA 0.673 5.313 4.640 -0.000 0.000 0.248 163 D C -0.929 175.272 176.300 -0.166 0.000 1.001 163 D CA -0.413 53.364 54.000 -0.371 0.000 0.961 163 D CB 1.034 41.559 40.800 -0.460 0.000 1.183 163 D HN 0.312 nan 8.370 nan 0.000 0.502 164 F N -2.007 117.803 119.950 -0.233 0.000 2.793 164 F HA 0.446 4.973 4.527 -0.000 0.000 0.316 164 F C -3.082 172.085 175.800 -1.055 0.000 1.147 164 F CA -1.719 56.028 58.000 -0.422 0.000 0.930 164 F CB 0.627 39.458 39.000 -0.283 0.000 1.277 164 F HN 0.013 nan 8.300 nan 0.000 0.443 165 P HA 0.334 nan 4.420 nan 0.000 0.290 165 P C -0.088 176.904 177.300 -0.514 0.000 1.276 165 P CA -0.406 61.921 63.100 -1.287 0.000 0.808 165 P CB 2.155 33.325 31.700 -0.885 0.000 0.966 166 R N 1.660 121.835 120.500 -0.542 0.000 2.148 166 R HA 0.051 4.391 4.340 -0.000 0.000 0.223 166 R C -0.288 175.619 176.300 -0.655 0.000 1.088 166 R CA 1.102 56.879 56.100 -0.537 0.000 0.985 166 R CB -0.044 29.858 30.300 -0.663 0.000 0.880 166 R HN 0.384 nan 8.270 nan 0.000 0.451 167 F N -0.439 119.488 119.950 -0.037 0.000 2.547 167 F HA 0.364 4.891 4.527 -0.000 0.000 0.316 167 F C -1.590 174.237 175.800 0.044 0.000 1.121 167 F CA -3.018 55.005 58.000 0.039 0.000 0.911 167 F CB 2.117 41.181 39.000 0.105 0.000 1.179 167 F HN -0.185 nan 8.300 nan 0.000 0.443 168 P HA -0.159 nan 4.420 nan 0.000 0.220 168 P C 0.269 177.682 177.300 0.188 0.000 1.152 168 P CA 1.378 64.583 63.100 0.175 0.000 0.812 168 P CB 0.352 32.134 31.700 0.137 0.000 0.792 169 H N 1.489 120.638 119.070 0.131 0.000 2.741 169 H HA 0.328 4.884 4.556 -0.000 0.000 0.282 169 H C -0.397 175.001 175.328 0.116 0.000 1.122 169 H CA -0.367 55.731 56.048 0.083 0.000 1.293 169 H CB 0.062 29.830 29.762 0.009 0.000 1.415 169 H HN -0.046 nan 8.280 nan 0.000 0.472 170 R N 3.651 124.192 120.500 0.068 0.000 2.402 170 R HA 0.341 4.681 4.340 -0.000 0.000 0.290 170 R C 0.068 176.403 176.300 0.058 0.000 1.321 170 R CA -0.569 55.619 56.100 0.146 0.000 1.283 170 R CB 1.397 31.825 30.300 0.214 0.000 1.111 170 R HN 0.578 nan 8.270 nan 0.000 0.578 171 G N 1.250 110.113 108.800 0.105 0.000 2.597 171 G HA2 0.624 4.584 3.960 -0.000 0.000 0.317 171 G HA3 0.624 4.584 3.960 -0.000 0.000 0.317 171 G C -1.341 173.642 174.900 0.138 0.000 1.230 171 G CA -0.466 44.693 45.100 0.098 0.000 0.996 171 G HN 0.252 nan 8.290 nan 0.000 0.490 172 L N 0.791 122.102 121.223 0.147 0.000 2.470 172 L HA 0.525 4.865 4.340 -0.000 0.000 0.268 172 L C -1.358 175.548 176.870 0.060 0.000 0.964 172 L CA -0.731 54.159 54.840 0.084 0.000 0.839 172 L CB 1.791 43.904 42.059 0.089 0.000 1.276 172 L HN 0.562 nan 8.230 nan 0.000 0.403 173 L N 4.923 126.067 121.223 -0.131 0.000 2.265 173 L HA 0.460 4.800 4.340 -0.000 0.000 0.288 173 L C -1.300 175.340 176.870 -0.382 0.000 1.058 173 L CA -0.318 54.295 54.840 -0.378 0.000 0.809 173 L CB 1.207 42.791 42.059 -0.793 0.000 1.179 173 L HN 0.551 nan 8.230 nan 0.000 0.429 174 L N 4.682 125.746 121.223 -0.266 0.000 2.334 174 L HA 0.493 4.833 4.340 -0.000 0.000 0.273 174 L C -0.542 176.221 176.870 -0.177 0.000 1.013 174 L CA -0.074 54.657 54.840 -0.182 0.000 0.816 174 L CB 1.668 43.738 42.059 0.017 0.000 1.278 174 L HN 0.543 nan 8.230 nan 0.000 0.431 175 D N 0.154 120.494 120.400 -0.101 0.000 2.434 175 D HA 0.157 4.797 4.640 -0.000 0.000 0.275 175 D C 0.614 177.021 176.300 0.178 0.000 1.172 175 D CA -0.124 53.907 54.000 0.052 0.000 0.916 175 D CB 0.767 41.584 40.800 0.028 0.000 1.041 175 D HN 0.601 nan 8.370 nan 0.000 0.501 176 T N -1.287 113.420 114.554 0.254 0.000 3.284 176 T HA 0.016 4.365 4.350 -0.000 0.000 0.252 176 T C 1.387 176.322 174.700 0.391 0.000 1.144 176 T CA 0.207 62.518 62.100 0.353 0.000 1.021 176 T CB 0.353 69.548 68.868 0.544 0.000 0.984 176 T HN 0.089 nan 8.240 nan 0.000 0.545 177 S N 0.729 116.606 115.700 0.296 0.000 2.517 177 S HA 0.166 4.636 4.470 -0.000 0.000 0.228 177 S C 2.048 176.786 174.600 0.229 0.000 1.060 177 S CA -0.224 58.112 58.200 0.226 0.000 0.937 177 S CB -0.017 63.268 63.200 0.142 0.000 0.840 177 S HN 0.332 nan 8.310 nan 0.000 0.546 178 R N 0.369 120.996 120.500 0.212 0.000 2.148 178 R HA 0.215 4.555 4.340 -0.000 0.000 0.227 178 R C -0.049 176.252 176.300 0.001 0.000 1.103 178 R CA 0.976 57.145 56.100 0.115 0.000 0.983 178 R CB -0.197 30.136 30.300 0.055 0.000 0.874 178 R HN 0.491 nan 8.270 nan 0.000 0.451 179 H N -2.772 116.488 119.070 0.317 0.000 2.865 179 H HA 0.185 4.741 4.556 -0.000 0.000 0.362 179 H C -1.649 173.900 175.328 0.368 0.000 1.114 179 H CA -1.000 55.237 56.048 0.316 0.000 1.208 179 H CB 1.290 31.149 29.762 0.162 0.000 1.727 179 H HN -0.056 nan 8.280 nan 0.000 0.534 180 Y N 3.421 123.972 120.300 0.418 0.000 2.465 180 Y HA 0.253 4.803 4.550 -0.000 0.000 0.331 180 Y C -0.955 175.057 175.900 0.186 0.000 1.102 180 Y CA -0.280 57.998 58.100 0.296 0.000 1.358 180 Y CB 0.270 38.862 38.460 0.219 0.000 1.213 180 Y HN 0.468 nan 8.280 nan 0.000 0.525 181 L N 10.084 131.121 121.223 -0.310 0.000 2.277 181 L HA 0.398 4.738 4.340 -0.000 0.000 0.284 181 L C -2.173 174.411 176.870 -0.477 0.000 1.028 181 L CA -2.203 52.479 54.840 -0.263 0.000 0.835 181 L CB 1.066 43.086 42.059 -0.066 0.000 1.215 181 L HN 0.579 nan 8.230 nan 0.000 0.425 182 P HA -0.140 nan 4.420 nan 0.000 0.266 182 P C 0.655 177.898 177.300 -0.095 0.000 1.180 182 P CA -0.090 62.883 63.100 -0.212 0.000 0.765 182 P CB 0.668 32.327 31.700 -0.068 0.000 0.806 183 L N 3.912 125.143 121.223 0.014 0.000 2.042 183 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 183 L C 2.145 178.947 176.870 -0.113 0.000 1.076 183 L CA 2.594 57.446 54.840 0.021 0.000 0.749 183 L CB -1.624 40.488 42.059 0.088 0.000 0.893 183 L HN 0.455 nan 8.230 nan 0.000 0.432 184 S N -1.741 113.900 115.700 -0.097 0.000 2.383 184 S HA -0.210 4.260 4.470 -0.000 0.000 0.229 184 S C 1.950 176.461 174.600 -0.148 0.000 1.030 184 S CA 1.460 59.581 58.200 -0.132 0.000 1.002 184 S CB -1.092 62.063 63.200 -0.076 0.000 0.829 184 S HN 0.555 nan 8.310 nan 0.000 0.467 185 S N 2.168 117.796 115.700 -0.119 0.000 2.399 185 S HA 0.096 4.566 4.470 -0.000 0.000 0.231 185 S C 1.761 176.263 174.600 -0.162 0.000 1.022 185 S CA 1.328 59.460 58.200 -0.112 0.000 0.983 185 S CB -0.541 62.604 63.200 -0.091 0.000 0.803 185 S HN 0.554 nan 8.310 nan 0.000 0.480 186 I N 1.311 121.744 120.570 -0.228 0.000 2.333 186 I HA -0.108 4.062 4.170 -0.000 0.000 0.246 186 I C 1.941 177.794 176.117 -0.439 0.000 1.106 186 I CA 0.894 61.978 61.300 -0.359 0.000 1.411 186 I CB -0.420 37.324 38.000 -0.426 0.000 1.082 186 I HN 0.203 nan 8.210 nan 0.000 0.420 187 L N 0.240 121.190 121.223 -0.454 0.000 2.083 187 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 187 L C 2.103 178.792 176.870 -0.302 0.000 1.083 187 L CA 1.121 55.565 54.840 -0.660 0.000 0.752 187 L CB -0.852 40.582 42.059 -1.042 0.000 0.899 187 L HN 0.208 nan 8.230 nan 0.000 0.433 188 D N -0.109 120.166 120.400 -0.209 0.000 2.104 188 D HA -0.162 4.478 4.640 -0.000 0.000 0.194 188 D C 2.242 178.482 176.300 -0.101 0.000 0.994 188 D CA 1.870 55.806 54.000 -0.106 0.000 0.830 188 D CB -0.371 40.387 40.800 -0.070 0.000 0.959 188 D HN 0.248 nan 8.370 nan 0.000 0.452 189 T N 0.946 115.448 114.554 -0.086 0.000 2.833 189 T HA -0.063 4.287 4.350 -0.000 0.000 0.269 189 T C 2.199 176.850 174.700 -0.082 0.000 1.054 189 T CA 0.489 62.602 62.100 0.022 0.000 1.135 189 T CB -0.213 68.661 68.868 0.009 0.000 0.869 189 T HN 0.115 nan 8.240 nan 0.000 0.466 190 L N 0.811 121.912 121.223 -0.204 0.000 2.093 190 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 190 L C 2.551 179.312 176.870 -0.182 0.000 1.085 190 L CA 1.099 55.827 54.840 -0.186 0.000 0.755 190 L CB -0.537 41.451 42.059 -0.118 0.000 0.904 190 L HN 0.197 nan 8.230 nan 0.000 0.435 191 D N -0.025 120.269 120.400 -0.177 0.000 2.087 191 D HA -0.168 4.472 4.640 -0.000 0.000 0.192 191 D C 2.262 178.066 176.300 -0.827 0.000 0.993 191 D CA 1.709 55.450 54.000 -0.431 0.000 0.828 191 D CB -0.165 40.459 40.800 -0.292 0.000 0.968 191 D HN 0.160 nan 8.370 nan 0.000 0.448 192 V N 1.318 120.855 119.914 -0.628 0.000 2.490 192 V HA -0.241 3.879 4.120 -0.000 0.000 0.250 192 V C 2.558 178.292 176.094 -0.601 0.000 1.061 192 V CA 1.230 63.088 62.300 -0.737 0.000 1.064 192 V CB -0.518 30.616 31.823 -1.149 0.000 0.670 192 V HN 0.189 nan 8.190 nan 0.000 0.461 193 M N 0.053 119.460 119.600 -0.322 0.000 2.213 193 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 193 M C 2.332 178.561 176.300 -0.118 0.000 1.062 193 M CA 1.945 57.203 55.300 -0.070 0.000 1.105 193 M CB -0.478 32.131 32.600 0.014 0.000 1.385 193 M HN 0.428 nan 8.290 nan 0.000 0.417 194 A N -0.526 122.134 122.820 -0.267 0.000 1.969 194 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 194 A C 1.676 179.210 177.584 -0.084 0.000 1.169 194 A CA 1.271 53.187 52.037 -0.202 0.000 0.635 194 A CB -0.770 18.059 19.000 -0.285 0.000 0.810 194 A HN 0.446 nan 8.150 nan 0.000 0.445 195 Y N 0.539 120.800 120.300 -0.065 0.000 2.242 195 Y HA -0.067 4.483 4.550 -0.000 0.000 0.291 195 Y C 1.997 177.882 175.900 -0.026 0.000 1.137 195 Y CA 0.781 58.876 58.100 -0.007 0.000 1.181 195 Y CB -0.591 37.891 38.460 0.036 0.000 0.989 195 Y HN 0.356 nan 8.280 nan 0.000 0.527 196 N N 0.798 119.575 118.700 0.129 0.000 2.449 196 N HA -0.047 4.693 4.740 -0.000 0.000 0.191 196 N C -0.160 175.358 175.510 0.013 0.000 1.161 196 N CA 0.319 53.439 53.050 0.116 0.000 0.863 196 N CB 0.020 38.662 38.487 0.259 0.000 0.980 196 N HN 0.297 nan 8.380 nan 0.000 0.458 197 K N 0.306 120.669 120.400 -0.061 0.000 3.125 197 K HA -0.174 4.146 4.320 -0.000 0.000 0.268 197 K C -1.011 175.629 176.600 0.067 0.000 1.078 197 K CA 0.393 56.609 56.287 -0.119 0.000 0.775 197 K CB -1.374 30.793 32.500 -0.555 0.000 1.253 197 K HN 0.070 nan 8.250 nan 0.000 0.486 198 L N 1.808 123.079 121.223 0.081 0.000 2.282 198 L HA 0.214 4.554 4.340 -0.000 0.000 0.288 198 L C 1.135 178.041 176.870 0.060 0.000 1.033 198 L CA -0.003 54.905 54.840 0.114 0.000 0.807 198 L CB 1.341 43.490 42.059 0.151 0.000 1.209 198 L HN 0.266 nan 8.230 nan 0.000 0.423 199 N N 1.935 120.661 118.700 0.043 0.000 2.177 199 N HA 0.096 4.836 4.740 -0.000 0.000 0.218 199 N C -0.814 174.648 175.510 -0.081 0.000 1.182 199 N CA -0.054 52.981 53.050 -0.025 0.000 0.882 199 N CB 0.633 39.111 38.487 -0.015 0.000 1.052 199 N HN 0.168 nan 8.380 nan 0.000 0.519 200 V N 1.674 121.541 119.914 -0.078 0.000 2.525 200 V HA 0.389 4.509 4.120 -0.000 0.000 0.299 200 V C -1.415 174.740 176.094 0.101 0.000 1.034 200 V CA -0.962 61.282 62.300 -0.094 0.000 0.863 200 V CB 1.494 33.049 31.823 -0.447 0.000 0.999 200 V HN 0.124 nan 8.190 nan 0.000 0.423 201 F N 4.854 124.789 119.950 -0.025 0.000 2.390 201 F HA 0.452 4.979 4.527 -0.000 0.000 0.361 201 F C 0.154 175.998 175.800 0.072 0.000 1.124 201 F CA -0.808 57.196 58.000 0.007 0.000 1.149 201 F CB 0.371 39.359 39.000 -0.020 0.000 1.160 201 F HN 0.667 nan 8.300 nan 0.000 0.501 202 H N 6.846 125.770 119.070 -0.242 0.000 2.761 202 H HA 0.130 4.686 4.556 -0.000 0.000 0.284 202 H C -1.064 173.904 175.328 -0.600 0.000 1.105 202 H CA -0.624 55.226 56.048 -0.330 0.000 1.352 202 H CB 0.298 29.967 29.762 -0.154 0.000 1.423 202 H HN 0.672 nan 8.280 nan 0.000 0.464 203 W N 7.194 128.127 121.300 -0.611 0.000 2.316 203 W HA 0.113 4.773 4.660 -0.000 0.000 0.308 203 W C -0.558 175.794 176.519 -0.277 0.000 1.106 203 W CA -0.604 56.350 57.345 -0.651 0.000 1.262 203 W CB 0.139 29.148 29.460 -0.751 0.000 1.233 203 W HN 0.679 nan 8.180 nan 0.000 0.447 204 H N 7.149 126.263 119.070 0.073 0.000 2.498 204 H HA 0.063 4.619 4.556 -0.000 0.000 0.239 204 H C 1.173 176.432 175.328 -0.114 0.000 1.586 204 H CA -0.153 55.854 56.048 -0.070 0.000 1.164 204 H CB 0.174 29.855 29.762 -0.136 0.000 1.597 204 H HN 0.342 nan 8.280 nan 0.000 0.516 205 L N 1.395 122.293 121.223 -0.541 0.000 1.991 205 L HA -0.238 4.102 4.340 -0.000 0.000 0.221 205 L C 1.185 177.816 176.870 -0.398 0.000 1.079 205 L CA 1.692 56.135 54.840 -0.661 0.000 0.778 205 L CB -0.704 40.523 42.059 -1.387 0.000 0.893 205 L HN 0.280 nan 8.230 nan 0.000 0.437 206 V N -4.300 115.268 119.914 -0.577 0.000 2.815 206 V HA 0.741 4.861 4.120 -0.000 0.000 0.314 206 V C -0.656 175.344 176.094 -0.156 0.000 1.064 206 V CA -0.839 61.254 62.300 -0.344 0.000 0.952 206 V CB 2.276 33.756 31.823 -0.572 0.000 1.020 206 V HN 0.226 nan 8.190 nan 0.000 0.439 207 D N 0.772 121.208 120.400 0.060 0.000 2.851 207 D HA 0.192 4.832 4.640 -0.000 0.000 0.339 207 D C 0.067 176.490 176.300 0.206 0.000 1.347 207 D CA -0.224 53.881 54.000 0.175 0.000 0.888 207 D CB 2.271 43.195 40.800 0.208 0.000 1.431 207 D HN 0.552 nan 8.370 nan 0.000 0.509 208 D N 0.241 120.743 120.400 0.170 0.000 2.126 208 D HA -0.119 4.521 4.640 -0.000 0.000 0.190 208 D C -1.030 175.306 176.300 0.060 0.000 1.001 208 D CA 1.677 55.732 54.000 0.092 0.000 0.841 208 D CB -1.005 39.798 40.800 0.004 0.000 0.949 208 D HN 0.336 nan 8.370 nan 0.000 0.446 209 P HA 0.046 nan 4.420 nan 0.000 0.231 209 P C 0.158 177.288 177.300 -0.284 0.000 1.168 209 P CA 0.690 63.763 63.100 -0.046 0.000 0.779 209 P CB 0.655 32.382 31.700 0.044 0.000 0.844 210 S N -1.259 114.308 115.700 -0.221 0.000 2.550 210 S HA 0.579 5.049 4.470 -0.000 0.000 0.270 210 S C -2.053 172.536 174.600 -0.018 0.000 1.145 210 S CA -0.581 57.425 58.200 -0.322 0.000 0.852 210 S CB 0.772 63.618 63.200 -0.590 0.000 1.119 210 S HN -0.128 nan 8.310 nan 0.000 0.465 211 F N 5.589 125.465 119.950 -0.122 0.000 2.550 211 F HA 0.498 5.025 4.527 -0.000 0.000 0.348 211 F C -1.970 173.850 175.800 0.034 0.000 1.219 211 F CA -1.940 56.026 58.000 -0.056 0.000 1.203 211 F CB 1.953 40.860 39.000 -0.154 0.000 1.436 211 F HN 0.409 nan 8.300 nan 0.000 0.541 212 P HA -0.124 nan 4.420 nan 0.000 0.231 212 P C 0.098 177.625 177.300 0.378 0.000 1.168 212 P CA 0.648 63.910 63.100 0.270 0.000 0.779 212 P CB -0.087 31.872 31.700 0.432 0.000 0.844 213 Y N 2.124 122.532 120.300 0.181 0.000 2.442 213 Y HA 0.120 4.670 4.550 -0.000 0.000 0.330 213 Y C 0.740 176.857 175.900 0.361 0.000 1.129 213 Y CA -0.422 57.814 58.100 0.227 0.000 1.365 213 Y CB 0.322 38.819 38.460 0.061 0.000 1.233 213 Y HN -0.155 nan 8.280 nan 0.000 0.529 214 E N 5.022 125.033 120.200 -0.314 0.000 1.998 214 E HA 0.111 4.461 4.350 -0.000 0.000 0.257 214 E C -0.743 175.649 176.600 -0.347 0.000 1.038 214 E CA -0.265 56.022 56.400 -0.189 0.000 0.869 214 E CB 0.273 29.915 29.700 -0.097 0.000 1.135 214 E HN 0.603 nan 8.360 nan 0.000 0.430 215 S N 3.664 119.343 115.700 -0.035 0.000 2.510 215 S HA 0.019 4.489 4.470 -0.000 0.000 0.279 215 S C 0.834 175.465 174.600 0.052 0.000 1.284 215 S CA -0.488 57.764 58.200 0.087 0.000 1.059 215 S CB 0.152 63.623 63.200 0.452 0.000 0.901 215 S HN 0.542 nan 8.310 nan 0.000 0.491 216 F N 3.735 123.684 119.950 -0.001 0.000 2.270 216 F HA 0.115 4.642 4.527 -0.000 0.000 0.295 216 F C 2.291 178.063 175.800 -0.046 0.000 1.087 216 F CA 1.069 59.048 58.000 -0.034 0.000 1.365 216 F CB -1.698 37.266 39.000 -0.061 0.000 1.056 216 F HN 0.604 nan 8.300 nan 0.000 0.506 217 T N -2.210 112.170 114.554 -0.289 0.000 2.867 217 T HA -0.069 4.281 4.350 -0.000 0.000 0.268 217 T C 0.371 174.826 174.700 -0.409 0.000 1.057 217 T CA 0.888 62.840 62.100 -0.246 0.000 1.136 217 T CB -0.942 67.751 68.868 -0.292 0.000 0.874 217 T HN 0.212 nan 8.240 nan 0.000 0.466 218 F N 1.634 121.568 119.950 -0.026 0.000 2.660 218 F HA 0.430 4.957 4.527 -0.000 0.000 0.352 218 F C -2.173 173.619 175.800 -0.013 0.000 1.257 218 F CA -2.576 55.431 58.000 0.013 0.000 1.200 218 F CB 2.048 41.072 39.000 0.041 0.000 1.473 218 F HN -0.054 nan 8.300 nan 0.000 0.561 219 P HA -0.143 nan 4.420 nan 0.000 0.217 219 P C 1.397 178.702 177.300 0.009 0.000 1.151 219 P CA 1.232 64.361 63.100 0.048 0.000 0.828 219 P CB 0.351 32.069 31.700 0.030 0.000 0.788 220 E N -0.490 119.717 120.200 0.012 0.000 2.396 220 E HA -0.121 4.229 4.350 -0.000 0.000 0.200 220 E C 1.930 178.451 176.600 -0.131 0.000 1.023 220 E CA 0.641 57.021 56.400 -0.033 0.000 0.857 220 E CB -0.619 29.078 29.700 -0.005 0.000 0.775 220 E HN 0.358 nan 8.360 nan 0.000 0.525 221 L N 0.154 121.246 121.223 -0.217 0.000 2.017 221 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 221 L C 2.632 179.217 176.870 -0.475 0.000 1.073 221 L CA 1.008 55.474 54.840 -0.625 0.000 0.745 221 L CB -0.357 41.106 42.059 -0.993 0.000 0.894 221 L HN 0.195 nan 8.230 nan 0.000 0.432 222 M N -0.061 119.453 119.600 -0.143 0.000 2.099 222 M HA -0.182 4.298 4.480 -0.000 0.000 0.262 222 M C 2.428 178.725 176.300 -0.006 0.000 1.067 222 M CA 1.800 57.125 55.300 0.041 0.000 1.124 222 M CB -0.446 32.195 32.600 0.069 0.000 1.353 222 M HN 0.118 nan 8.290 nan 0.000 0.410 223 R N 0.127 120.606 120.500 -0.036 0.000 2.081 223 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 223 R C 1.357 177.633 176.300 -0.041 0.000 1.131 223 R CA 1.501 57.583 56.100 -0.031 0.000 0.960 223 R CB -0.087 30.196 30.300 -0.028 0.000 0.856 223 R HN 0.340 nan 8.270 nan 0.000 0.436 224 K N -1.038 119.322 120.400 -0.067 0.000 2.455 224 K HA 0.183 4.503 4.320 -0.000 0.000 0.206 224 K C 0.840 177.395 176.600 -0.074 0.000 1.027 224 K CA 0.056 56.306 56.287 -0.063 0.000 1.113 224 K CB 1.704 34.166 32.500 -0.064 0.000 0.850 224 K HN 0.245 nan 8.250 nan 0.000 0.503 225 G N 0.337 109.091 108.800 -0.078 0.000 2.727 225 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.207 225 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.207 225 G C 0.394 175.298 174.900 0.007 0.000 1.060 225 G CA -0.155 44.919 45.100 -0.044 0.000 0.814 225 G HN 0.251 nan 8.290 nan 0.000 0.576 226 S N -0.463 115.243 115.700 0.010 0.000 2.632 226 S HA 0.372 4.842 4.470 -0.000 0.000 0.267 226 S C 0.935 175.494 174.600 -0.069 0.000 1.276 226 S CA -0.540 57.645 58.200 -0.025 0.000 0.998 226 S CB 0.990 64.204 63.200 0.023 0.000 0.953 226 S HN 0.119 nan 8.310 nan 0.000 0.547 227 Y N 1.507 121.786 120.300 -0.034 0.000 2.128 227 Y HA 0.021 4.571 4.550 -0.000 0.000 0.284 227 Y C 1.424 177.192 175.900 -0.220 0.000 1.154 227 Y CA 1.697 59.719 58.100 -0.130 0.000 1.149 227 Y CB -0.441 37.911 38.460 -0.181 0.000 0.976 227 Y HN 0.818 nan 8.280 nan 0.000 0.505 228 N N -1.451 117.185 118.700 -0.107 0.000 2.287 228 N HA 0.251 4.991 4.740 -0.000 0.000 0.289 228 N C -2.660 172.806 175.510 -0.073 0.000 1.066 228 N CA -1.803 51.170 53.050 -0.129 0.000 0.841 228 N CB 2.109 40.454 38.487 -0.237 0.000 1.599 228 N HN -0.357 nan 8.380 nan 0.000 0.476 229 P HA 0.050 nan 4.420 nan 0.000 0.245 229 P C 0.254 177.537 177.300 -0.029 0.000 1.212 229 P CA 0.294 63.377 63.100 -0.029 0.000 0.774 229 P CB 0.500 32.188 31.700 -0.019 0.000 0.999 230 V N -0.640 119.255 119.914 -0.031 0.000 2.784 230 V HA -0.076 4.044 4.120 -0.000 0.000 0.231 230 V C 2.515 178.594 176.094 -0.024 0.000 1.128 230 V CA 2.001 64.290 62.300 -0.017 0.000 1.178 230 V CB -1.377 30.443 31.823 -0.004 0.000 0.943 230 V HN 0.115 nan 8.190 nan 0.000 0.500 231 T N -0.613 113.949 114.554 0.013 0.000 2.668 231 T HA -0.177 4.173 4.350 -0.000 0.000 0.262 231 T C 1.183 175.744 174.700 -0.231 0.000 1.045 231 T CA 1.426 63.536 62.100 0.017 0.000 1.152 231 T CB -0.613 68.349 68.868 0.157 0.000 0.864 231 T HN 0.494 nan 8.240 nan 0.000 0.419 232 H N 1.842 120.550 119.070 -0.603 0.000 2.983 232 H HA 0.496 5.052 4.556 -0.000 0.000 0.222 232 H C -0.489 174.101 175.328 -1.231 0.000 1.828 232 H CA -1.034 54.134 56.048 -1.466 0.000 1.309 232 H CB -1.058 28.297 29.762 -0.678 0.000 1.644 232 H HN 0.271 nan 8.280 nan 0.000 0.561 233 I N 0.680 120.799 120.570 -0.751 0.000 2.769 233 I HA 0.179 4.349 4.170 -0.000 0.000 0.298 233 I C -0.571 175.504 176.117 -0.070 0.000 1.128 233 I CA -1.233 59.939 61.300 -0.214 0.000 1.031 233 I CB 1.755 39.710 38.000 -0.075 0.000 1.235 233 I HN 0.216 nan 8.210 nan 0.000 0.423 234 Y N 3.326 123.811 120.300 0.309 0.000 2.587 234 Y HA 0.321 4.871 4.550 -0.000 0.000 0.328 234 Y C 0.894 176.865 175.900 0.118 0.000 0.980 234 Y CA -0.703 57.577 58.100 0.299 0.000 1.272 234 Y CB 1.213 39.925 38.460 0.419 0.000 1.094 234 Y HN 0.445 nan 8.280 nan 0.000 0.503 235 T N 0.513 115.208 114.554 0.235 0.000 2.802 235 T HA 0.116 4.466 4.350 -0.000 0.000 0.305 235 T C 1.453 176.219 174.700 0.109 0.000 1.053 235 T CA 0.098 62.265 62.100 0.111 0.000 1.058 235 T CB 1.275 70.202 68.868 0.098 0.000 0.988 235 T HN 0.790 nan 8.240 nan 0.000 0.539 236 A N 0.486 123.333 122.820 0.045 0.000 2.067 236 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 236 A C 2.279 179.904 177.584 0.068 0.000 1.158 236 A CA 1.364 53.435 52.037 0.057 0.000 0.661 236 A CB -0.669 18.363 19.000 0.054 0.000 0.801 236 A HN 0.722 nan 8.150 nan 0.000 0.452 237 Q N 0.610 120.452 119.800 0.070 0.000 2.049 237 Q HA -0.138 4.202 4.340 -0.000 0.000 0.198 237 Q C 1.230 177.296 176.000 0.110 0.000 0.971 237 Q CA 2.132 57.978 55.803 0.072 0.000 0.833 237 Q CB -0.395 28.377 28.738 0.057 0.000 0.896 237 Q HN 0.588 nan 8.270 nan 0.000 0.434 238 D N -0.702 119.793 120.400 0.159 0.000 2.104 238 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 238 D C 1.897 178.349 176.300 0.253 0.000 0.994 238 D CA 1.493 55.627 54.000 0.223 0.000 0.830 238 D CB -0.329 40.680 40.800 0.348 0.000 0.959 238 D HN 0.147 nan 8.370 nan 0.000 0.452 239 V N 1.689 121.765 119.914 0.271 0.000 2.295 239 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 239 V C 2.403 178.585 176.094 0.147 0.000 1.049 239 V CA 2.118 64.581 62.300 0.272 0.000 1.024 239 V CB -0.599 31.333 31.823 0.182 0.000 0.648 239 V HN 0.371 nan 8.190 nan 0.000 0.447 240 K N 0.275 120.722 120.400 0.078 0.000 2.097 240 K HA -0.222 4.097 4.320 -0.000 0.000 0.206 240 K C 1.831 178.487 176.600 0.093 0.000 1.049 240 K CA 2.053 58.372 56.287 0.052 0.000 0.933 240 K CB -0.388 32.131 32.500 0.033 0.000 0.717 240 K HN 0.502 nan 8.250 nan 0.000 0.442 241 E N 1.105 121.370 120.200 0.108 0.000 2.106 241 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 241 E C 2.129 178.810 176.600 0.135 0.000 0.984 241 E CA 1.123 57.591 56.400 0.113 0.000 0.806 241 E CB -0.063 29.691 29.700 0.090 0.000 0.750 241 E HN 0.114 nan 8.360 nan 0.000 0.458 242 V N 1.563 121.561 119.914 0.139 0.000 2.252 242 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 242 V C 2.243 178.451 176.094 0.189 0.000 1.056 242 V CA 1.835 64.212 62.300 0.127 0.000 1.022 242 V CB -0.446 31.501 31.823 0.208 0.000 0.641 242 V HN 0.256 nan 8.190 nan 0.000 0.445 243 I N -0.113 120.589 120.570 0.220 0.000 2.127 243 I HA -0.261 3.909 4.170 -0.000 0.000 0.241 243 I C 2.614 178.823 176.117 0.153 0.000 1.075 243 I CA 2.039 63.462 61.300 0.206 0.000 1.334 243 I CB -0.437 37.665 38.000 0.170 0.000 1.040 243 I HN 0.328 nan 8.210 nan 0.000 0.405 244 E N 0.375 120.659 120.200 0.139 0.000 2.106 244 E HA -0.260 4.090 4.350 -0.000 0.000 0.192 244 E C 2.114 178.781 176.600 0.113 0.000 0.984 244 E CA 1.358 57.828 56.400 0.116 0.000 0.806 244 E CB -0.459 29.303 29.700 0.104 0.000 0.750 244 E HN 0.475 nan 8.360 nan 0.000 0.458 245 Y N 0.325 120.631 120.300 0.011 0.000 2.114 245 Y HA -0.262 4.288 4.550 -0.000 0.000 0.282 245 Y C 2.159 178.032 175.900 -0.046 0.000 1.165 245 Y CA 2.334 60.418 58.100 -0.027 0.000 1.148 245 Y CB -0.646 37.779 38.460 -0.058 0.000 0.972 245 Y HN 0.154 nan 8.280 nan 0.000 0.504 246 A N 0.192 123.083 122.820 0.118 0.000 1.873 246 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 246 A C 2.358 179.919 177.584 -0.039 0.000 1.186 246 A CA 1.619 53.669 52.037 0.020 0.000 0.616 246 A CB -0.852 18.188 19.000 0.066 0.000 0.823 246 A HN 0.510 nan 8.150 nan 0.000 0.442 247 R N -0.200 120.301 120.500 0.002 0.000 2.119 247 R HA -0.165 4.175 4.340 -0.000 0.000 0.246 247 R C 1.959 178.278 176.300 0.032 0.000 1.146 247 R CA 1.837 57.927 56.100 -0.017 0.000 0.962 247 R CB -0.534 29.813 30.300 0.077 0.000 0.863 247 R HN 0.544 nan 8.270 nan 0.000 0.442 248 L N -0.086 121.148 121.223 0.020 0.000 2.129 248 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 248 L C 2.020 178.894 176.870 0.008 0.000 1.087 248 L CA 1.439 56.286 54.840 0.011 0.000 0.757 248 L CB -0.161 41.827 42.059 -0.118 0.000 0.896 248 L HN 0.117 nan 8.230 nan 0.000 0.434 249 R N -0.460 119.997 120.500 -0.071 0.000 2.393 249 R HA 0.209 4.549 4.340 -0.000 0.000 0.244 249 R C 1.017 177.290 176.300 -0.045 0.000 0.920 249 R CA 0.581 56.642 56.100 -0.066 0.000 1.076 249 R CB 0.416 30.621 30.300 -0.158 0.000 1.119 249 R HN 0.280 nan 8.270 nan 0.000 0.524 250 G N 0.929 109.652 108.800 -0.129 0.000 2.160 250 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 250 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 250 G C -0.081 174.591 174.900 -0.381 0.000 1.022 250 G CA -0.131 44.694 45.100 -0.459 0.000 0.741 250 G HN 0.262 nan 8.290 nan 0.000 0.508 251 I N 0.781 121.208 120.570 -0.238 0.000 2.321 251 I HA 0.403 4.573 4.170 -0.000 0.000 0.291 251 I C 0.960 177.021 176.117 -0.092 0.000 0.998 251 I CA -0.947 60.276 61.300 -0.129 0.000 1.227 251 I CB 0.980 38.950 38.000 -0.051 0.000 1.368 251 I HN 0.072 nan 8.210 nan 0.000 0.466 252 R N 4.650 125.103 120.500 -0.077 0.000 2.539 252 R HA 0.450 4.789 4.340 -0.000 0.000 0.275 252 R C -0.819 175.553 176.300 0.120 0.000 1.077 252 R CA -0.643 55.463 56.100 0.010 0.000 1.097 252 R CB 0.713 31.015 30.300 0.003 0.000 1.018 252 R HN 0.334 nan 8.270 nan 0.000 0.483 253 V N 4.179 124.213 119.914 0.200 0.000 2.383 253 V HA 0.169 4.289 4.120 -0.000 0.000 0.275 253 V C -0.431 175.749 176.094 0.144 0.000 1.036 253 V CA -0.670 61.797 62.300 0.279 0.000 0.889 253 V CB 1.162 33.273 31.823 0.481 0.000 0.985 253 V HN 0.448 nan 8.190 nan 0.000 0.459 254 L N 5.618 126.844 121.223 0.005 0.000 2.265 254 L HA 0.773 5.113 4.340 -0.000 0.000 0.289 254 L C 0.370 177.091 176.870 -0.249 0.000 1.033 254 L CA 0.022 54.800 54.840 -0.104 0.000 0.814 254 L CB 0.967 42.934 42.059 -0.154 0.000 1.203 254 L HN 0.723 nan 8.230 nan 0.000 0.423 255 A N 4.910 127.523 122.820 -0.344 0.000 2.260 255 A HA 0.571 4.891 4.320 -0.000 0.000 0.314 255 A C -0.415 177.007 177.584 -0.270 0.000 1.257 255 A CA -0.506 51.178 52.037 -0.589 0.000 0.871 255 A CB 0.419 18.568 19.000 -1.417 0.000 1.166 255 A HN 0.729 nan 8.150 nan 0.000 0.522 256 E N 2.329 122.348 120.200 -0.303 0.000 2.176 256 E HA 0.574 4.924 4.350 -0.000 0.000 0.267 256 E C -1.879 174.521 176.600 -0.334 0.000 0.893 256 E CA -0.380 55.985 56.400 -0.057 0.000 0.761 256 E CB 0.861 30.648 29.700 0.144 0.000 1.133 256 E HN 0.529 nan 8.360 nan 0.000 0.409 257 F N 3.235 123.264 119.950 0.131 0.000 2.552 257 F HA 0.180 4.707 4.527 -0.000 0.000 0.369 257 F C 0.021 176.075 175.800 0.423 0.000 1.112 257 F CA -1.007 57.150 58.000 0.262 0.000 1.129 257 F CB 1.122 40.338 39.000 0.360 0.000 1.360 257 F HN 0.358 nan 8.300 nan 0.000 0.473 258 D N 2.995 123.608 120.400 0.355 0.000 2.401 258 D HA 0.226 4.866 4.640 -0.000 0.000 0.254 258 D C -0.169 176.230 176.300 0.166 0.000 1.192 258 D CA 0.581 54.760 54.000 0.298 0.000 0.885 258 D CB 0.801 41.728 40.800 0.212 0.000 1.147 258 D HN 0.535 nan 8.370 nan 0.000 0.478 259 T N 1.383 116.054 114.554 0.195 0.000 2.916 259 T HA 0.477 4.827 4.350 -0.000 0.000 0.305 259 T C -2.266 172.586 174.700 0.252 0.000 1.119 259 T CA -1.306 60.844 62.100 0.084 0.000 1.008 259 T CB 2.278 71.235 68.868 0.148 0.000 1.129 259 T HN 0.065 nan 8.240 nan 0.000 0.480 260 P HA 0.177 nan 4.420 nan 0.000 0.226 260 P C 1.042 178.219 177.300 -0.206 0.000 1.161 260 P CA 0.437 63.416 63.100 -0.201 0.000 0.804 260 P CB -0.230 31.227 31.700 -0.405 0.000 0.829 261 G N -0.223 108.502 108.800 -0.124 0.000 2.651 261 G HA2 0.053 4.013 3.960 -0.000 0.000 0.260 261 G HA3 0.053 4.013 3.960 -0.000 0.000 0.260 261 G C -0.181 174.702 174.900 -0.027 0.000 1.216 261 G CA -0.137 44.873 45.100 -0.149 0.000 0.913 261 G HN 0.345 nan 8.290 nan 0.000 0.535 262 H N -1.309 117.667 119.070 -0.158 0.000 2.756 262 H HA -0.179 4.377 4.556 -0.000 0.000 0.315 262 H C 0.895 176.178 175.328 -0.074 0.000 1.210 262 H CA 1.167 57.162 56.048 -0.088 0.000 1.150 262 H CB -1.951 27.792 29.762 -0.032 0.000 1.463 262 H HN 0.691 nan 8.280 nan 0.000 0.427 263 T N -3.118 111.378 114.554 -0.096 0.000 3.337 263 T HA 0.300 4.650 4.350 -0.000 0.000 0.299 263 T C 1.625 176.356 174.700 0.051 0.000 0.998 263 T CA -0.311 61.658 62.100 -0.218 0.000 0.948 263 T CB 0.228 68.647 68.868 -0.749 0.000 1.170 263 T HN 0.202 nan 8.240 nan 0.000 0.508 264 L N 1.913 123.179 121.223 0.072 0.000 2.079 264 L HA -0.124 4.215 4.340 -0.000 0.000 0.210 264 L C 2.819 179.772 176.870 0.137 0.000 1.081 264 L CA 1.839 56.724 54.840 0.076 0.000 0.752 264 L CB -0.324 41.761 42.059 0.043 0.000 0.896 264 L HN 0.530 nan 8.230 nan 0.000 0.433 265 S N -1.952 113.895 115.700 0.244 0.000 2.481 265 S HA -0.150 4.320 4.470 -0.000 0.000 0.231 265 S C 1.387 176.108 174.600 0.201 0.000 0.996 265 S CA 0.281 58.609 58.200 0.212 0.000 0.942 265 S CB -0.566 62.770 63.200 0.227 0.000 0.768 265 S HN 0.448 nan 8.310 nan 0.000 0.520 266 W N 2.695 123.988 121.300 -0.011 0.000 2.436 266 W HA 0.329 4.989 4.660 -0.000 0.000 0.284 266 W C 2.535 178.887 176.519 -0.278 0.000 1.225 266 W CA -0.224 57.016 57.345 -0.176 0.000 1.271 266 W CB -1.350 28.033 29.460 -0.129 0.000 1.114 266 W HN 0.373 nan 8.180 nan 0.000 0.559 267 G N 2.250 111.046 108.800 -0.007 0.000 2.839 267 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.221 267 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.221 267 G C -1.568 173.191 174.900 -0.234 0.000 1.271 267 G CA 0.869 45.842 45.100 -0.211 0.000 0.789 267 G HN 0.041 nan 8.290 nan 0.000 0.659 268 P HA 0.293 nan 4.420 nan 0.000 0.271 268 P C 0.638 177.848 177.300 -0.151 0.000 1.216 268 P CA 1.153 64.172 63.100 -0.134 0.000 0.771 268 P CB 1.137 32.793 31.700 -0.074 0.000 0.864 269 G N 3.226 111.945 108.800 -0.134 0.000 2.561 269 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.203 269 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.203 269 G C -0.302 174.533 174.900 -0.109 0.000 1.101 269 G CA 0.131 45.153 45.100 -0.131 0.000 0.711 269 G HN 0.634 nan 8.290 nan 0.000 0.511 270 I N 4.517 124.972 120.570 -0.192 0.000 2.555 270 I HA 0.576 4.746 4.170 -0.000 0.000 0.275 270 I C -2.209 173.754 176.117 -0.256 0.000 1.082 270 I CA -3.376 57.788 61.300 -0.227 0.000 1.167 270 I CB 1.197 38.903 38.000 -0.491 0.000 1.312 270 I HN 0.065 nan 8.210 nan 0.000 0.493 271 P HA 0.220 nan 4.420 nan 0.000 0.269 271 P C 0.699 177.892 177.300 -0.178 0.000 1.209 271 P CA 0.654 63.652 63.100 -0.170 0.000 0.776 271 P CB 0.626 32.270 31.700 -0.093 0.000 0.876 272 G N 1.248 109.928 108.800 -0.200 0.000 2.198 272 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 272 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 272 G C 0.330 175.115 174.900 -0.193 0.000 1.025 272 G CA 0.329 45.334 45.100 -0.158 0.000 0.769 272 G HN 0.562 nan 8.290 nan 0.000 0.507 273 L N -0.725 120.333 121.223 -0.276 0.000 2.269 273 L HA 0.546 4.886 4.340 -0.000 0.000 0.200 273 L C 1.582 178.304 176.870 -0.246 0.000 1.069 273 L CA 0.776 55.433 54.840 -0.305 0.000 0.804 273 L CB -0.042 41.744 42.059 -0.454 0.000 0.987 273 L HN 0.308 nan 8.230 nan 0.000 0.468 274 L N 0.450 121.509 121.223 -0.274 0.000 2.436 274 L HA 0.198 4.537 4.340 -0.000 0.000 0.265 274 L C 0.139 176.972 176.870 -0.062 0.000 1.168 274 L CA -0.354 54.371 54.840 -0.192 0.000 0.815 274 L CB 0.708 42.610 42.059 -0.262 0.000 1.109 274 L HN -0.006 nan 8.230 nan 0.000 0.462 275 T N 3.834 118.444 114.554 0.092 0.000 2.737 275 T HA 0.187 4.537 4.350 -0.000 0.000 0.296 275 T C -2.297 172.611 174.700 0.346 0.000 0.922 275 T CA -0.926 61.298 62.100 0.207 0.000 1.079 275 T CB 0.554 69.607 68.868 0.308 0.000 0.892 275 T HN 0.348 nan 8.240 nan 0.000 0.514 276 P HA 0.169 nan 4.420 nan 0.000 0.267 276 P C -0.386 177.075 177.300 0.268 0.000 1.209 276 P CA -0.393 62.925 63.100 0.363 0.000 0.763 276 P CB 0.099 31.988 31.700 0.315 0.000 0.816 277 c N 4.341 122.997 118.600 0.093 0.000 2.459 277 c HA 0.453 5.023 4.570 -0.000 0.000 0.374 277 c C 0.209 174.346 174.090 0.078 0.000 1.241 277 c CA -0.167 56.242 56.329 0.134 0.000 2.352 277 c CB -0.688 41.832 42.510 0.017 0.000 2.490 277 c HN 0.488 nan 8.230 nan 0.000 0.583 278 Y N 0.338 120.629 120.300 -0.014 0.000 2.446 278 Y HA 0.345 4.895 4.550 -0.000 0.000 0.345 278 Y C 1.404 177.293 175.900 -0.018 0.000 0.984 278 Y CA -0.399 57.693 58.100 -0.012 0.000 1.058 278 Y CB 1.838 40.305 38.460 0.013 0.000 1.220 278 Y HN 0.793 nan 8.280 nan 0.000 0.455 279 S N 0.254 115.997 115.700 0.072 0.000 2.395 279 S HA 0.159 4.629 4.470 -0.000 0.000 0.225 279 S C 1.340 175.984 174.600 0.073 0.000 1.027 279 S CA 1.194 59.418 58.200 0.040 0.000 0.965 279 S CB -0.020 63.176 63.200 -0.007 0.000 0.812 279 S HN 1.056 nan 8.310 nan 0.000 0.482 280 G N -1.032 107.841 108.800 0.122 0.000 4.276 280 G HA2 0.177 4.137 3.960 -0.000 0.000 0.178 280 G HA3 0.177 4.137 3.960 -0.000 0.000 0.178 280 G C 0.788 175.765 174.900 0.128 0.000 0.785 280 G CA 0.665 45.828 45.100 0.104 0.000 0.853 280 G HN 0.530 nan 8.290 nan 0.000 0.428 281 S N -1.033 114.773 115.700 0.176 0.000 3.364 281 S HA 0.475 4.945 4.470 -0.000 0.000 0.257 281 S C 0.582 175.363 174.600 0.302 0.000 1.098 281 S CA 1.785 60.096 58.200 0.186 0.000 0.888 281 S CB 0.133 63.392 63.200 0.098 0.000 0.925 281 S HN 1.106 nan 8.310 nan 0.000 0.442 282 E N 2.726 123.018 120.200 0.154 0.000 2.212 282 E HA 0.715 5.065 4.350 -0.000 0.000 0.270 282 E C -3.112 173.239 176.600 -0.416 0.000 0.956 282 E CA -2.491 53.897 56.400 -0.021 0.000 0.825 282 E CB 0.185 29.860 29.700 -0.042 0.000 1.167 282 E HN 0.405 nan 8.360 nan 0.000 0.400 283 P HA 0.117 nan 4.420 nan 0.000 0.266 283 P C -0.097 176.907 177.300 -0.492 0.000 1.195 283 P CA 0.089 62.594 63.100 -0.990 0.000 0.768 283 P CB 1.050 32.375 31.700 -0.624 0.000 0.838 284 S N 1.011 116.455 115.700 -0.427 0.000 2.575 284 S HA 0.297 4.767 4.470 -0.000 0.000 0.237 284 S C 1.608 176.029 174.600 -0.299 0.000 0.975 284 S CA 0.202 58.235 58.200 -0.278 0.000 0.960 284 S CB -0.238 62.844 63.200 -0.196 0.000 0.822 284 S HN 0.829 nan 8.310 nan 0.000 0.472 285 G N 2.428 110.997 108.800 -0.384 0.000 2.674 285 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.236 285 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.236 285 G C 0.557 175.004 174.900 -0.754 0.000 1.178 285 G CA 0.831 45.651 45.100 -0.467 0.000 0.721 285 G HN 0.809 nan 8.290 nan 0.000 0.515 286 T N 0.482 114.725 114.554 -0.519 0.000 2.870 286 T HA 0.567 4.917 4.350 -0.000 0.000 0.300 286 T C 0.096 174.504 174.700 -0.487 0.000 0.989 286 T CA -0.271 61.563 62.100 -0.443 0.000 1.139 286 T CB 0.931 69.667 68.868 -0.221 0.000 0.920 286 T HN 0.364 nan 8.240 nan 0.000 0.537 287 F N 1.479 121.396 119.950 -0.055 0.000 2.403 287 F HA 0.720 5.247 4.527 -0.000 0.000 0.326 287 F C 1.116 176.872 175.800 -0.074 0.000 1.081 287 F CA -0.559 57.411 58.000 -0.049 0.000 1.041 287 F CB 1.283 40.255 39.000 -0.047 0.000 1.234 287 F HN 0.940 nan 8.300 nan 0.000 0.503 288 G N 0.170 109.053 108.800 0.138 0.000 3.122 288 G HA2 0.636 4.596 3.960 -0.000 0.000 0.180 288 G HA3 0.636 4.596 3.960 -0.000 0.000 0.180 288 G C -2.929 171.926 174.900 -0.075 0.000 1.279 288 G CA -1.549 43.532 45.100 -0.032 0.000 0.987 288 G HN 0.330 nan 8.290 nan 0.000 0.589 289 P HA 0.255 nan 4.420 nan 0.000 0.272 289 P C 0.082 177.372 177.300 -0.015 0.000 1.240 289 P CA -0.522 62.444 63.100 -0.223 0.000 0.791 289 P CB 0.574 31.972 31.700 -0.504 0.000 0.978 290 V N 1.987 121.831 119.914 -0.116 0.000 2.678 290 V HA -0.143 3.977 4.120 -0.000 0.000 0.304 290 V C 1.092 177.181 176.094 -0.008 0.000 1.086 290 V CA 0.649 62.853 62.300 -0.161 0.000 1.246 290 V CB -0.879 30.722 31.823 -0.369 0.000 0.861 290 V HN 0.554 nan 8.190 nan 0.000 0.491 291 N N 8.363 127.025 118.700 -0.064 0.000 2.406 291 N HA 0.135 4.875 4.740 -0.000 0.000 0.265 291 N C -1.332 174.063 175.510 -0.192 0.000 1.203 291 N CA -1.784 51.208 53.050 -0.096 0.000 0.945 291 N CB 1.169 39.597 38.487 -0.098 0.000 1.165 291 N HN 0.391 nan 8.380 nan 0.000 0.485 292 P HA 0.058 nan 4.420 nan 0.000 0.255 292 P C 0.486 177.912 177.300 0.210 0.000 1.248 292 P CA 0.311 63.383 63.100 -0.046 0.000 0.807 292 P CB 0.253 31.863 31.700 -0.150 0.000 1.150 293 S N -0.918 114.757 115.700 -0.041 0.000 2.441 293 S HA 0.089 4.559 4.470 -0.000 0.000 0.224 293 S C 0.989 175.566 174.600 -0.037 0.000 1.043 293 S CA -0.085 58.050 58.200 -0.107 0.000 0.948 293 S CB -0.999 61.850 63.200 -0.586 0.000 0.810 293 S HN 0.029 nan 8.310 nan 0.000 0.504 294 L N 2.852 124.046 121.223 -0.047 0.000 2.439 294 L HA 0.230 4.570 4.340 -0.000 0.000 0.269 294 L C 1.974 179.004 176.870 0.265 0.000 1.179 294 L CA -0.319 54.552 54.840 0.051 0.000 0.828 294 L CB 0.346 42.393 42.059 -0.020 0.000 1.106 294 L HN 0.250 nan 8.230 nan 0.000 0.467 295 N N 2.165 121.022 118.700 0.262 0.000 2.106 295 N HA -0.219 4.521 4.740 -0.000 0.000 0.188 295 N C 1.350 177.020 175.510 0.267 0.000 1.029 295 N CA 1.615 54.852 53.050 0.311 0.000 0.848 295 N CB -0.099 38.521 38.487 0.221 0.000 1.007 295 N HN 0.766 nan 8.380 nan 0.000 0.423 296 N N -0.008 118.795 118.700 0.172 0.000 2.133 296 N HA -0.182 4.558 4.740 -0.000 0.000 0.193 296 N C 1.057 176.651 175.510 0.141 0.000 1.012 296 N CA 1.879 55.016 53.050 0.144 0.000 0.871 296 N CB -0.099 38.438 38.487 0.083 0.000 1.011 296 N HN 0.224 nan 8.380 nan 0.000 0.435 297 T N -0.199 114.391 114.554 0.060 0.000 2.674 297 T HA -0.139 4.211 4.350 -0.000 0.000 0.265 297 T C 1.270 175.991 174.700 0.034 0.000 1.039 297 T CA 1.494 63.569 62.100 -0.043 0.000 1.150 297 T CB -0.507 68.216 68.868 -0.240 0.000 0.864 297 T HN 0.385 nan 8.240 nan 0.000 0.427 298 Y N 0.923 121.331 120.300 0.181 0.000 2.571 298 Y HA 0.095 4.645 4.550 -0.000 0.000 0.294 298 Y C 2.435 178.425 175.900 0.149 0.000 1.141 298 Y CA 0.301 58.483 58.100 0.138 0.000 1.308 298 Y CB -0.147 38.358 38.460 0.075 0.000 1.002 298 Y HN 0.130 nan 8.280 nan 0.000 0.551 299 E N -0.345 120.038 120.200 0.304 0.000 2.086 299 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 299 E C 1.839 178.619 176.600 0.300 0.000 0.975 299 E CA 0.548 57.110 56.400 0.270 0.000 0.813 299 E CB -0.568 29.279 29.700 0.245 0.000 0.768 299 E HN 0.389 nan 8.360 nan 0.000 0.457 300 F N 0.685 120.721 119.950 0.143 0.000 2.091 300 F HA -0.269 4.258 4.527 -0.000 0.000 0.299 300 F C 1.879 177.733 175.800 0.090 0.000 1.103 300 F CA 1.545 59.561 58.000 0.027 0.000 1.228 300 F CB -0.092 38.807 39.000 -0.167 0.000 0.984 300 F HN 0.014 nan 8.300 nan 0.000 0.477 301 M N -0.434 119.318 119.600 0.253 0.000 2.159 301 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 301 M C 2.553 179.046 176.300 0.323 0.000 1.063 301 M CA 1.615 57.107 55.300 0.319 0.000 1.110 301 M CB -1.696 31.078 32.600 0.292 0.000 1.374 301 M HN 0.338 nan 8.290 nan 0.000 0.411 302 S N -0.228 115.622 115.700 0.250 0.000 2.423 302 S HA -0.082 4.388 4.470 -0.000 0.000 0.231 302 S C 1.731 176.501 174.600 0.284 0.000 1.014 302 S CA 1.668 60.032 58.200 0.275 0.000 0.965 302 S CB -0.074 63.255 63.200 0.215 0.000 0.785 302 S HN 0.530 nan 8.310 nan 0.000 0.495 303 T N 0.397 115.079 114.554 0.213 0.000 3.051 303 T HA 0.191 4.541 4.350 -0.000 0.000 0.255 303 T C 1.126 175.889 174.700 0.106 0.000 1.085 303 T CA 0.300 62.511 62.100 0.184 0.000 1.109 303 T CB -0.194 68.853 68.868 0.298 0.000 0.921 303 T HN 0.484 nan 8.240 nan 0.000 0.488 304 F N 0.878 120.722 119.950 -0.176 0.000 2.179 304 F HA 0.274 4.801 4.527 -0.000 0.000 0.292 304 F C 1.267 176.828 175.800 -0.399 0.000 1.089 304 F CA 0.380 58.136 58.000 -0.407 0.000 1.295 304 F CB -0.189 38.311 39.000 -0.834 0.000 1.041 304 F HN 0.059 nan 8.300 nan 0.000 0.487 305 F N -0.103 119.737 119.950 -0.184 0.000 2.748 305 F HA 0.025 4.552 4.527 -0.000 0.000 0.299 305 F C 2.047 177.697 175.800 -0.249 0.000 1.154 305 F CA 0.435 58.310 58.000 -0.209 0.000 1.446 305 F CB -0.393 38.635 39.000 0.046 0.000 1.112 305 F HN 0.016 nan 8.300 nan 0.000 0.584 306 L N -0.059 121.036 121.223 -0.213 0.000 2.072 306 L HA -0.168 4.172 4.340 -0.000 0.000 0.205 306 L C 2.513 179.103 176.870 -0.466 0.000 1.079 306 L CA 1.464 55.898 54.840 -0.678 0.000 0.752 306 L CB -0.273 41.499 42.059 -0.478 0.000 0.906 306 L HN 0.162 nan 8.230 nan 0.000 0.436 307 E N -0.645 119.299 120.200 -0.427 0.000 2.047 307 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 307 E C 2.086 178.461 176.600 -0.376 0.000 0.987 307 E CA 1.658 57.791 56.400 -0.444 0.000 0.799 307 E CB 0.057 29.316 29.700 -0.735 0.000 0.752 307 E HN 0.369 nan 8.360 nan 0.000 0.449 308 V N 1.517 121.116 119.914 -0.526 0.000 2.332 308 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 308 V C 2.391 178.467 176.094 -0.030 0.000 1.055 308 V CA 1.957 64.044 62.300 -0.355 0.000 1.038 308 V CB -0.640 30.739 31.823 -0.740 0.000 0.651 308 V HN 0.412 nan 8.190 nan 0.000 0.450 309 S N -1.196 114.459 115.700 -0.076 0.000 2.720 309 S HA 0.027 4.497 4.470 -0.000 0.000 0.222 309 S C 1.502 176.078 174.600 -0.040 0.000 0.958 309 S CA 0.853 59.049 58.200 -0.007 0.000 0.943 309 S CB 0.105 63.311 63.200 0.010 0.000 0.779 309 S HN 0.504 nan 8.310 nan 0.000 0.526 310 S N 0.366 116.031 115.700 -0.058 0.000 2.731 310 S HA 0.169 4.639 4.470 -0.000 0.000 0.244 310 S C 1.670 176.263 174.600 -0.011 0.000 1.084 310 S CA 0.444 58.622 58.200 -0.036 0.000 0.877 310 S CB -0.024 63.143 63.200 -0.055 0.000 0.798 310 S HN 0.418 nan 8.310 nan 0.000 0.496 311 V N 0.959 120.848 119.914 -0.042 0.000 2.453 311 V HA 0.072 4.192 4.120 -0.000 0.000 0.247 311 V C 0.238 176.156 176.094 -0.292 0.000 1.048 311 V CA 1.175 63.375 62.300 -0.166 0.000 1.049 311 V CB -0.757 30.909 31.823 -0.260 0.000 0.672 311 V HN 0.349 nan 8.190 nan 0.000 0.457 312 F N 1.927 121.899 119.950 0.037 0.000 2.361 312 F HA 0.448 4.975 4.527 -0.000 0.000 0.364 312 F C -1.652 174.185 175.800 0.063 0.000 1.120 312 F CA -2.271 55.771 58.000 0.069 0.000 1.102 312 F CB 1.151 40.192 39.000 0.068 0.000 1.183 312 F HN -0.006 nan 8.300 nan 0.000 0.476 313 P HA 0.029 nan 4.420 nan 0.000 0.257 313 P C -0.270 177.133 177.300 0.172 0.000 1.325 313 P CA 0.087 63.279 63.100 0.153 0.000 0.850 313 P CB 0.044 31.817 31.700 0.121 0.000 1.324 314 D N -0.703 119.825 120.400 0.213 0.000 2.341 314 D HA 0.024 4.664 4.640 -0.000 0.000 0.245 314 D C 0.753 177.173 176.300 0.200 0.000 1.106 314 D CA -0.452 53.681 54.000 0.221 0.000 0.905 314 D CB 0.407 41.347 40.800 0.234 0.000 1.202 314 D HN -0.135 nan 8.370 nan 0.000 0.426 315 F N 2.026 122.017 119.950 0.069 0.000 2.216 315 F HA -0.001 4.526 4.527 -0.000 0.000 0.300 315 F C -0.023 175.622 175.800 -0.259 0.000 1.085 315 F CA 1.112 59.041 58.000 -0.119 0.000 1.326 315 F CB 0.047 38.919 39.000 -0.213 0.000 1.027 315 F HN 0.338 nan 8.300 nan 0.000 0.497 316 Y N 0.307 120.754 120.300 0.245 0.000 2.387 316 Y HA 0.551 5.101 4.550 -0.000 0.000 0.336 316 Y C -0.268 175.683 175.900 0.084 0.000 1.067 316 Y CA -1.034 57.157 58.100 0.153 0.000 1.114 316 Y CB 1.217 39.772 38.460 0.158 0.000 1.208 316 Y HN -0.300 nan 8.280 nan 0.000 0.458 317 L N 2.239 123.598 121.223 0.226 0.000 2.303 317 L HA 0.469 4.809 4.340 -0.000 0.000 0.266 317 L C -0.577 176.377 176.870 0.140 0.000 1.011 317 L CA -1.069 53.862 54.840 0.152 0.000 0.818 317 L CB 1.643 43.806 42.059 0.173 0.000 1.326 317 L HN 0.575 nan 8.230 nan 0.000 0.435 318 H N 1.420 120.502 119.070 0.019 0.000 2.458 318 H HA 0.390 4.946 4.556 -0.000 0.000 0.330 318 H C -0.092 175.320 175.328 0.139 0.000 1.111 318 H CA -0.158 55.891 56.048 0.000 0.000 1.245 318 H CB 1.884 31.552 29.762 -0.157 0.000 1.456 318 H HN 0.488 nan 8.280 nan 0.000 0.488 319 L N 3.207 124.557 121.223 0.211 0.000 2.701 319 L HA 0.213 4.553 4.340 -0.000 0.000 0.238 319 L C 1.611 178.717 176.870 0.393 0.000 1.106 319 L CA 0.555 55.547 54.840 0.254 0.000 0.898 319 L CB 0.481 42.541 42.059 0.002 0.000 1.188 319 L HN 0.947 nan 8.230 nan 0.000 0.508 320 G N 0.719 109.885 108.800 0.609 0.000 2.972 320 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.265 320 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.265 320 G C 0.793 176.083 174.900 0.650 0.000 1.506 320 G CA -0.103 45.458 45.100 0.769 0.000 1.016 320 G HN 0.794 nan 8.290 nan 0.000 0.563 321 G N 0.781 109.834 108.800 0.421 0.000 2.246 321 G HA2 0.138 4.098 3.960 -0.000 0.000 0.273 321 G HA3 0.138 4.098 3.960 -0.000 0.000 0.273 321 G C 0.055 175.153 174.900 0.330 0.000 1.055 321 G CA 1.630 46.932 45.100 0.336 0.000 0.851 321 G HN 2.055 nan 8.290 nan 0.000 0.500 322 D N -0.960 119.596 120.400 0.260 0.000 2.350 322 D HA 0.444 5.084 4.640 -0.000 0.000 0.238 322 D C 0.532 176.881 176.300 0.081 0.000 0.989 322 D CA -0.440 53.668 54.000 0.181 0.000 0.921 322 D CB 0.742 41.496 40.800 -0.077 0.000 1.297 322 D HN 0.287 nan 8.370 nan 0.000 0.490 323 E N -0.489 119.758 120.200 0.079 0.000 2.365 323 E HA -0.159 4.191 4.350 -0.000 0.000 0.237 323 E C -0.370 176.093 176.600 -0.228 0.000 1.238 323 E CA 0.169 56.541 56.400 -0.046 0.000 0.718 323 E CB -1.063 28.622 29.700 -0.025 0.000 1.218 323 E HN 0.291 nan 8.360 nan 0.000 0.387 324 V N 1.289 121.023 119.914 -0.299 0.000 2.479 324 V HA 0.021 4.141 4.120 -0.000 0.000 0.281 324 V C 0.465 175.998 176.094 -0.935 0.000 1.031 324 V CA 0.193 62.167 62.300 -0.542 0.000 1.038 324 V CB 1.074 32.634 31.823 -0.439 0.000 0.981 324 V HN 0.167 nan 8.190 nan 0.000 0.478 325 D N 3.883 123.787 120.400 -0.827 0.000 2.380 325 D HA 0.326 4.966 4.640 -0.000 0.000 0.230 325 D C 0.467 176.249 176.300 -0.863 0.000 1.154 325 D CA -0.361 53.179 54.000 -0.767 0.000 0.859 325 D CB 0.682 41.188 40.800 -0.490 0.000 1.045 325 D HN 0.356 nan 8.370 nan 0.000 0.495 326 F N 1.368 121.023 119.950 -0.491 0.000 2.748 326 F HA 0.013 4.540 4.527 -0.000 0.000 0.299 326 F C 2.347 177.813 175.800 -0.556 0.000 1.154 326 F CA 0.331 57.999 58.000 -0.553 0.000 1.446 326 F CB -0.639 38.125 39.000 -0.392 0.000 1.112 326 F HN 0.333 nan 8.300 nan 0.000 0.584 327 T N -1.906 112.480 114.554 -0.279 0.000 2.904 327 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 327 T C 2.197 176.814 174.700 -0.137 0.000 1.059 327 T CA 1.261 63.238 62.100 -0.206 0.000 1.137 327 T CB -0.814 67.963 68.868 -0.152 0.000 0.879 327 T HN 0.530 nan 8.240 nan 0.000 0.467 328 c N 0.245 118.754 118.600 -0.153 0.000 2.450 328 c HA 0.023 4.593 4.570 -0.000 0.000 0.279 328 c C 2.307 176.484 174.090 0.144 0.000 1.335 328 c CA -0.107 56.204 56.329 -0.030 0.000 1.749 328 c CB -1.569 40.899 42.510 -0.069 0.000 1.963 328 c HN 0.638 nan 8.230 nan 0.000 0.501 329 W N 1.330 122.613 121.300 -0.029 0.000 2.358 329 W HA -0.009 4.651 4.660 -0.000 0.000 0.303 329 W C 2.603 179.193 176.519 0.118 0.000 1.208 329 W CA 1.229 58.618 57.345 0.074 0.000 1.274 329 W CB -1.174 28.407 29.460 0.201 0.000 1.138 329 W HN 0.402 nan 8.180 nan 0.000 0.515 330 K N 0.664 121.128 120.400 0.107 0.000 2.057 330 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 330 K C 2.299 178.983 176.600 0.140 0.000 1.050 330 K CA 1.996 58.349 56.287 0.110 0.000 0.935 330 K CB -0.250 32.136 32.500 -0.190 0.000 0.715 330 K HN 0.089 nan 8.250 nan 0.000 0.439 331 S N 0.716 116.470 115.700 0.091 0.000 2.383 331 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 331 S C 0.965 175.584 174.600 0.031 0.000 1.026 331 S CA 0.362 58.615 58.200 0.088 0.000 0.981 331 S CB -0.483 62.786 63.200 0.116 0.000 0.818 331 S HN 0.265 nan 8.310 nan 0.000 0.472 332 N N 3.204 121.923 118.700 0.031 0.000 2.438 332 N HA 0.120 4.860 4.740 -0.000 0.000 0.267 332 N C -2.095 173.288 175.510 -0.211 0.000 1.222 332 N CA -1.208 51.721 53.050 -0.201 0.000 0.930 332 N CB 1.358 39.857 38.487 0.020 0.000 1.083 332 N HN 0.126 nan 8.380 nan 0.000 0.476 333 P HA -0.066 nan 4.420 nan 0.000 0.220 333 P C 1.076 178.318 177.300 -0.096 0.000 1.152 333 P CA 0.592 63.575 63.100 -0.195 0.000 0.812 333 P CB 0.353 31.913 31.700 -0.234 0.000 0.792 334 E N 0.317 120.440 120.200 -0.129 0.000 2.051 334 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 334 E C 1.919 178.512 176.600 -0.011 0.000 0.991 334 E CA 1.177 57.554 56.400 -0.037 0.000 0.799 334 E CB -0.527 29.124 29.700 -0.082 0.000 0.748 334 E HN 0.209 nan 8.360 nan 0.000 0.449 335 I N 1.025 121.553 120.570 -0.071 0.000 2.315 335 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 335 I C 2.683 178.833 176.117 0.055 0.000 1.117 335 I CA 0.755 62.023 61.300 -0.055 0.000 1.404 335 I CB -0.290 37.676 38.000 -0.057 0.000 1.071 335 I HN 0.080 nan 8.210 nan 0.000 0.419 336 Q N 0.332 120.171 119.800 0.065 0.000 2.181 336 Q HA -0.284 4.056 4.340 -0.000 0.000 0.205 336 Q C 1.660 177.694 176.000 0.057 0.000 0.980 336 Q CA 1.965 57.808 55.803 0.065 0.000 0.862 336 Q CB -0.359 28.414 28.738 0.058 0.000 0.905 336 Q HN 0.544 nan 8.270 nan 0.000 0.429 337 D N -0.617 119.844 120.400 0.103 0.000 2.103 337 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 337 D C 1.481 177.843 176.300 0.104 0.000 0.978 337 D CA 0.758 54.820 54.000 0.103 0.000 0.829 337 D CB -0.075 40.815 40.800 0.150 0.000 0.981 337 D HN 0.069 nan 8.370 nan 0.000 0.464 338 F N 0.260 120.171 119.950 -0.065 0.000 2.216 338 F HA -0.004 4.523 4.527 -0.000 0.000 0.300 338 F C 2.300 178.045 175.800 -0.092 0.000 1.085 338 F CA 0.872 58.825 58.000 -0.078 0.000 1.326 338 F CB -0.417 38.542 39.000 -0.068 0.000 1.027 338 F HN 0.058 nan 8.300 nan 0.000 0.497 339 M N -0.991 118.666 119.600 0.094 0.000 2.394 339 M HA -0.113 4.367 4.480 -0.000 0.000 0.264 339 M C 1.964 178.241 176.300 -0.037 0.000 1.073 339 M CA 1.243 56.585 55.300 0.070 0.000 1.111 339 M CB -0.270 32.310 32.600 -0.033 0.000 1.401 339 M HN -0.001 nan 8.290 nan 0.000 0.448 340 R N 0.044 120.504 120.500 -0.067 0.000 2.193 340 R HA -0.012 4.328 4.340 -0.000 0.000 0.213 340 R C 2.009 178.209 176.300 -0.167 0.000 1.055 340 R CA 0.551 56.586 56.100 -0.107 0.000 0.995 340 R CB -0.007 30.246 30.300 -0.077 0.000 0.893 340 R HN 0.245 nan 8.270 nan 0.000 0.459 341 K N 0.883 121.161 120.400 -0.202 0.000 2.062 341 K HA -0.040 4.280 4.320 -0.000 0.000 0.205 341 K C 1.586 178.006 176.600 -0.299 0.000 1.051 341 K CA 1.060 57.192 56.287 -0.258 0.000 0.941 341 K CB 0.089 32.381 32.500 -0.346 0.000 0.719 341 K HN 0.059 nan 8.250 nan 0.000 0.440 342 K N -0.133 120.038 120.400 -0.381 0.000 2.426 342 K HA 0.092 4.412 4.320 -0.000 0.000 0.193 342 K C 0.633 176.778 176.600 -0.759 0.000 1.028 342 K CA 0.571 56.508 56.287 -0.584 0.000 1.047 342 K CB 0.069 32.120 32.500 -0.749 0.000 0.821 342 K HN 0.325 nan 8.250 nan 0.000 0.513 343 G N 2.065 110.540 108.800 -0.542 0.000 2.368 343 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.290 343 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.290 343 G C 0.101 174.727 174.900 -0.457 0.000 1.098 343 G CA -0.174 44.681 45.100 -0.408 0.000 1.073 343 G HN 0.180 nan 8.290 nan 0.000 0.511 344 F N -0.025 119.830 119.950 -0.159 0.000 2.343 344 F HA 0.435 4.962 4.527 -0.000 0.000 0.286 344 F C 2.345 178.048 175.800 -0.161 0.000 1.057 344 F CA 1.625 59.525 58.000 -0.167 0.000 1.365 344 F CB -0.346 38.524 39.000 -0.217 0.000 1.114 344 F HN 1.055 nan 8.300 nan 0.000 0.545 345 G N 0.483 109.286 108.800 0.005 0.000 3.355 345 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.247 345 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.247 345 G C 0.939 175.786 174.900 -0.089 0.000 1.818 345 G CA 0.313 45.387 45.100 -0.044 0.000 1.309 345 G HN 0.299 nan 8.290 nan 0.000 0.546 346 E N 0.758 120.905 120.200 -0.088 0.000 2.536 346 E HA 0.202 4.552 4.350 -0.000 0.000 0.220 346 E C -0.447 176.098 176.600 -0.091 0.000 0.876 346 E CA 0.306 56.664 56.400 -0.070 0.000 1.190 346 E CB 0.664 30.377 29.700 0.022 0.000 1.191 346 E HN 0.408 nan 8.360 nan 0.000 0.557 347 D N 0.355 120.672 120.400 -0.138 0.000 2.232 347 D HA 0.223 4.863 4.640 -0.000 0.000 0.242 347 D C -0.345 175.788 176.300 -0.279 0.000 1.093 347 D CA -0.529 53.414 54.000 -0.095 0.000 0.845 347 D CB 0.686 41.446 40.800 -0.066 0.000 1.124 347 D HN -0.019 nan 8.370 nan 0.000 0.467 348 F N 1.957 121.701 119.950 -0.344 0.000 2.727 348 F HA 0.169 4.696 4.527 -0.000 0.000 0.302 348 F C 2.177 177.625 175.800 -0.587 0.000 1.097 348 F CA -0.282 57.483 58.000 -0.392 0.000 1.330 348 F CB 0.468 39.304 39.000 -0.272 0.000 1.084 348 F HN 0.169 nan 8.300 nan 0.000 0.578 349 K N 0.738 120.891 120.400 -0.412 0.000 2.057 349 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 349 K C 1.996 178.546 176.600 -0.084 0.000 1.050 349 K CA 1.567 57.726 56.287 -0.214 0.000 0.935 349 K CB -0.145 32.280 32.500 -0.125 0.000 0.715 349 K HN 0.435 nan 8.250 nan 0.000 0.439 350 Q N 0.465 120.157 119.800 -0.181 0.000 2.425 350 Q HA -0.004 4.336 4.340 -0.000 0.000 0.204 350 Q C 1.865 177.500 176.000 -0.608 0.000 0.933 350 Q CA 0.368 56.023 55.803 -0.246 0.000 0.939 350 Q CB 0.020 28.678 28.738 -0.133 0.000 1.044 350 Q HN 0.130 nan 8.270 nan 0.000 0.513 351 L N 1.117 121.983 121.223 -0.596 0.000 2.131 351 L HA -0.020 4.320 4.340 -0.000 0.000 0.206 351 L C 2.245 179.062 176.870 -0.087 0.000 1.087 351 L CA 1.800 56.302 54.840 -0.563 0.000 0.767 351 L CB -0.298 41.481 42.059 -0.468 0.000 0.917 351 L HN 0.269 nan 8.230 nan 0.000 0.441 352 E N -0.988 119.328 120.200 0.193 0.000 2.051 352 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 352 E C 2.220 179.004 176.600 0.306 0.000 0.991 352 E CA 1.277 57.946 56.400 0.449 0.000 0.799 352 E CB -0.128 29.931 29.700 0.598 0.000 0.748 352 E HN 0.571 nan 8.360 nan 0.000 0.449 353 S N -0.187 115.610 115.700 0.162 0.000 2.374 353 S HA -0.218 4.252 4.470 -0.000 0.000 0.227 353 S C 1.777 176.462 174.600 0.142 0.000 1.037 353 S CA 1.426 59.700 58.200 0.124 0.000 1.024 353 S CB -0.551 62.692 63.200 0.071 0.000 0.861 353 S HN 0.451 nan 8.310 nan 0.000 0.456 354 F N 1.064 121.013 119.950 -0.003 0.000 2.126 354 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 354 F C 2.017 177.899 175.800 0.138 0.000 1.096 354 F CA 1.876 59.909 58.000 0.055 0.000 1.255 354 F CB -0.922 38.102 39.000 0.041 0.000 0.997 354 F HN 0.428 nan 8.300 nan 0.000 0.479 355 Y N 0.800 121.159 120.300 0.098 0.000 2.181 355 Y HA -0.187 4.363 4.550 -0.000 0.000 0.288 355 Y C 1.983 177.901 175.900 0.031 0.000 1.146 355 Y CA 2.220 60.396 58.100 0.126 0.000 1.164 355 Y CB -0.547 38.022 38.460 0.181 0.000 0.982 355 Y HN 0.147 nan 8.280 nan 0.000 0.515 356 I N -0.106 120.428 120.570 -0.059 0.000 2.277 356 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 356 I C 2.443 178.416 176.117 -0.241 0.000 1.094 356 I CA 1.163 62.349 61.300 -0.190 0.000 1.393 356 I CB -0.762 37.239 38.000 0.001 0.000 1.078 356 I HN 0.178 nan 8.210 nan 0.000 0.417 357 Q N 0.711 120.417 119.800 -0.157 0.000 2.096 357 Q HA -0.231 4.109 4.340 -0.000 0.000 0.208 357 Q C 2.310 178.162 176.000 -0.246 0.000 0.993 357 Q CA 2.625 58.332 55.803 -0.160 0.000 0.862 357 Q CB -0.422 28.262 28.738 -0.089 0.000 0.915 357 Q HN 0.565 nan 8.270 nan 0.000 0.416 358 T N 1.516 115.862 114.554 -0.346 0.000 2.674 358 T HA -0.168 4.181 4.350 -0.000 0.000 0.265 358 T C 1.794 176.314 174.700 -0.301 0.000 1.039 358 T CA 1.289 63.173 62.100 -0.360 0.000 1.150 358 T CB -0.428 68.131 68.868 -0.515 0.000 0.864 358 T HN 0.201 nan 8.240 nan 0.000 0.427 359 L N 1.046 122.045 121.223 -0.372 0.000 2.079 359 L HA -0.026 4.314 4.340 -0.000 0.000 0.210 359 L C 2.153 178.754 176.870 -0.449 0.000 1.081 359 L CA 1.528 56.108 54.840 -0.435 0.000 0.752 359 L CB -0.713 40.980 42.059 -0.609 0.000 0.896 359 L HN 0.252 nan 8.230 nan 0.000 0.433 360 L N -0.586 120.366 121.223 -0.452 0.000 2.042 360 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 360 L C 2.191 178.831 176.870 -0.383 0.000 1.076 360 L CA 1.542 56.041 54.840 -0.567 0.000 0.749 360 L CB -0.947 40.839 42.059 -0.455 0.000 0.893 360 L HN 0.333 nan 8.230 nan 0.000 0.432 361 D N 0.047 120.288 120.400 -0.264 0.000 2.183 361 D HA -0.078 4.562 4.640 -0.000 0.000 0.203 361 D C 2.293 178.439 176.300 -0.257 0.000 0.969 361 D CA 0.987 54.870 54.000 -0.195 0.000 0.842 361 D CB 0.001 40.708 40.800 -0.155 0.000 0.957 361 D HN 0.350 nan 8.370 nan 0.000 0.484 362 I N 0.751 121.146 120.570 -0.292 0.000 2.179 362 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 362 I C 2.328 178.126 176.117 -0.532 0.000 1.088 362 I CA 0.836 61.916 61.300 -0.367 0.000 1.357 362 I CB -0.131 37.743 38.000 -0.210 0.000 1.051 362 I HN -0.110 nan 8.210 nan 0.000 0.409 363 V N -0.806 118.911 119.914 -0.328 0.000 2.488 363 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 363 V C 2.465 178.500 176.094 -0.100 0.000 1.046 363 V CA 1.731 63.938 62.300 -0.156 0.000 1.053 363 V CB -0.380 31.349 31.823 -0.157 0.000 0.679 363 V HN 0.400 nan 8.190 nan 0.000 0.458 364 S N 1.145 116.789 115.700 -0.093 0.000 2.399 364 S HA -0.185 4.285 4.470 -0.000 0.000 0.231 364 S C 2.283 176.834 174.600 -0.081 0.000 1.022 364 S CA 1.895 60.108 58.200 0.023 0.000 0.983 364 S CB -0.349 62.899 63.200 0.081 0.000 0.803 364 S HN 0.821 nan 8.310 nan 0.000 0.480 365 S N -0.180 115.393 115.700 -0.212 0.000 2.423 365 S HA -0.045 4.425 4.470 -0.000 0.000 0.231 365 S C 1.336 175.850 174.600 -0.144 0.000 1.014 365 S CA 0.640 58.708 58.200 -0.221 0.000 0.965 365 S CB -0.960 62.048 63.200 -0.319 0.000 0.785 365 S HN 0.766 nan 8.310 nan 0.000 0.495 366 Y N 2.301 122.583 120.300 -0.030 0.000 2.477 366 Y HA 0.341 4.891 4.550 -0.000 0.000 0.303 366 Y C 1.767 177.617 175.900 -0.084 0.000 1.202 366 Y CA -0.278 57.799 58.100 -0.039 0.000 1.282 366 Y CB -0.622 37.822 38.460 -0.026 0.000 1.071 366 Y HN 0.444 nan 8.280 nan 0.000 0.510 367 G N 0.904 109.703 108.800 -0.002 0.000 2.221 367 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.265 367 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.265 367 G C -0.085 174.595 174.900 -0.367 0.000 1.041 367 G CA -0.165 44.866 45.100 -0.115 0.000 0.807 367 G HN 0.198 nan 8.290 nan 0.000 0.502 368 K N -0.148 120.056 120.400 -0.327 0.000 2.203 368 K HA 0.670 4.990 4.320 -0.000 0.000 0.251 368 K C 0.776 177.064 176.600 -0.520 0.000 0.944 368 K CA 0.028 55.992 56.287 -0.539 0.000 0.829 368 K CB 1.982 34.383 32.500 -0.166 0.000 1.125 368 K HN 0.292 nan 8.250 nan 0.000 0.430 369 G N 0.840 109.137 108.800 -0.838 0.000 2.511 369 G HA2 0.592 4.552 3.960 -0.000 0.000 0.316 369 G HA3 0.592 4.552 3.960 -0.000 0.000 0.316 369 G C -1.283 173.551 174.900 -0.109 0.000 1.210 369 G CA -0.392 44.373 45.100 -0.560 0.000 0.969 369 G HN 0.513 nan 8.290 nan 0.000 0.492 370 Y N -2.294 118.174 120.300 0.281 0.000 2.513 370 Y HA 0.600 5.150 4.550 -0.000 0.000 0.340 370 Y C -0.656 175.296 175.900 0.086 0.000 1.055 370 Y CA -1.569 56.627 58.100 0.161 0.000 1.020 370 Y CB 1.161 39.625 38.460 0.006 0.000 1.301 370 Y HN 0.370 nan 8.280 nan 0.000 0.453 371 V N 3.321 123.241 119.914 0.009 0.000 2.547 371 V HA 0.769 4.889 4.120 -0.000 0.000 0.299 371 V C -0.633 175.026 176.094 -0.725 0.000 1.040 371 V CA -0.858 61.232 62.300 -0.349 0.000 0.913 371 V CB 1.559 33.121 31.823 -0.436 0.000 0.992 371 V HN 0.776 nan 8.190 nan 0.000 0.449 372 V N 3.661 123.233 119.914 -0.570 0.000 2.971 372 V HA 0.571 4.691 4.120 -0.000 0.000 0.309 372 V C -1.285 174.732 176.094 -0.129 0.000 1.130 372 V CA -0.802 61.267 62.300 -0.385 0.000 0.964 372 V CB 2.195 33.984 31.823 -0.055 0.000 1.029 372 V HN 0.926 nan 8.190 nan 0.000 0.427 373 W N 2.691 124.177 121.300 0.309 0.000 2.034 373 W HA 0.248 4.908 4.660 -0.000 0.000 0.357 373 W C 1.678 178.392 176.519 0.325 0.000 1.326 373 W CA 0.659 58.248 57.345 0.407 0.000 1.318 373 W CB 0.408 30.129 29.460 0.435 0.000 1.193 373 W HN 0.749 nan 8.180 nan 0.000 0.620 374 Q N -0.473 119.730 119.800 0.671 0.000 2.436 374 Q HA -0.149 4.191 4.340 -0.000 0.000 0.209 374 Q C 1.186 177.372 176.000 0.309 0.000 0.965 374 Q CA 1.547 57.556 55.803 0.344 0.000 0.910 374 Q CB -0.152 28.685 28.738 0.164 0.000 0.980 374 Q HN 0.560 nan 8.270 nan 0.000 0.491 375 E N 0.722 121.152 120.200 0.383 0.000 2.150 375 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 375 E C 1.859 178.608 176.600 0.248 0.000 0.985 375 E CA 1.203 57.774 56.400 0.286 0.000 0.814 375 E CB 0.033 29.916 29.700 0.305 0.000 0.752 375 E HN 0.212 nan 8.360 nan 0.000 0.466 376 V N 0.397 120.468 119.914 0.261 0.000 2.261 376 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 376 V C 1.926 178.104 176.094 0.140 0.000 1.047 376 V CA 1.913 64.330 62.300 0.195 0.000 1.015 376 V CB -0.481 31.446 31.823 0.173 0.000 0.642 376 V HN 0.299 nan 8.190 nan 0.000 0.446 377 F N 1.217 121.159 119.950 -0.014 0.000 2.134 377 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 377 F C 2.205 177.996 175.800 -0.015 0.000 1.097 377 F CA 1.992 59.938 58.000 -0.089 0.000 1.264 377 F CB -0.275 38.621 39.000 -0.172 0.000 1.001 377 F HN 0.205 nan 8.300 nan 0.000 0.479 378 D N 0.239 120.722 120.400 0.138 0.000 2.097 378 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 378 D C 0.988 177.277 176.300 -0.017 0.000 0.989 378 D CA 1.160 55.191 54.000 0.052 0.000 0.827 378 D CB -0.641 40.227 40.800 0.114 0.000 0.966 378 D HN 0.254 nan 8.370 nan 0.000 0.456 379 N N 1.743 120.471 118.700 0.047 0.000 2.683 379 N HA -0.047 4.693 4.740 -0.000 0.000 0.256 379 N C -0.220 175.285 175.510 -0.009 0.000 1.270 379 N CA 0.020 53.103 53.050 0.055 0.000 0.954 379 N CB -0.204 38.379 38.487 0.161 0.000 1.289 379 N HN -0.096 nan 8.380 nan 0.000 0.508 380 K N 0.558 120.892 120.400 -0.110 0.000 3.072 380 K HA -0.123 4.197 4.320 -0.000 0.000 0.240 380 K C -0.623 175.943 176.600 -0.056 0.000 1.210 380 K CA 0.307 56.495 56.287 -0.166 0.000 1.234 380 K CB -1.021 31.355 32.500 -0.207 0.000 1.244 380 K HN 0.024 nan 8.250 nan 0.000 0.500 381 V N 3.421 123.323 119.914 -0.021 0.000 2.686 381 V HA 0.108 4.228 4.120 -0.000 0.000 0.295 381 V C 0.653 176.772 176.094 0.041 0.000 1.057 381 V CA -0.682 61.639 62.300 0.034 0.000 1.012 381 V CB 1.355 33.220 31.823 0.071 0.000 1.006 381 V HN 0.530 nan 8.190 nan 0.000 0.477 382 K N 4.128 124.566 120.400 0.063 0.000 2.436 382 K HA 0.327 4.647 4.320 -0.000 0.000 0.282 382 K C -0.713 175.942 176.600 0.093 0.000 1.044 382 K CA 0.470 56.806 56.287 0.083 0.000 1.028 382 K CB 0.015 32.564 32.500 0.082 0.000 0.919 382 K HN 0.616 nan 8.250 nan 0.000 0.474 383 I N 2.905 123.564 120.570 0.148 0.000 2.686 383 I HA 0.223 4.393 4.170 -0.000 0.000 0.295 383 I C -1.064 175.232 176.117 0.300 0.000 1.114 383 I CA -1.030 60.386 61.300 0.195 0.000 1.038 383 I CB 1.872 39.950 38.000 0.129 0.000 1.238 383 I HN 0.563 nan 8.210 nan 0.000 0.420 384 Q N 8.166 128.155 119.800 0.314 0.000 2.364 384 Q HA 0.285 4.625 4.340 -0.000 0.000 0.267 384 Q C -1.848 174.367 176.000 0.359 0.000 0.999 384 Q CA -1.269 54.715 55.803 0.301 0.000 0.886 384 Q CB 1.008 29.944 28.738 0.329 0.000 1.243 384 Q HN 0.373 nan 8.270 nan 0.000 0.415 385 P HA -0.137 nan 4.420 nan 0.000 0.222 385 P C -0.292 177.076 177.300 0.114 0.000 1.147 385 P CA 1.045 64.198 63.100 0.088 0.000 0.790 385 P CB 0.485 32.183 31.700 -0.003 0.000 0.780 386 D N -0.943 119.537 120.400 0.134 0.000 2.348 386 D HA 0.012 4.652 4.640 -0.000 0.000 0.211 386 D C 0.549 176.913 176.300 0.106 0.000 0.998 386 D CA 0.472 54.526 54.000 0.091 0.000 0.873 386 D CB -0.404 40.420 40.800 0.040 0.000 0.925 386 D HN 0.136 nan 8.370 nan 0.000 0.524 387 T N 0.847 115.509 114.554 0.181 0.000 2.855 387 T HA 0.182 4.532 4.350 -0.000 0.000 0.322 387 T C 0.845 175.621 174.700 0.127 0.000 1.088 387 T CA 0.139 62.328 62.100 0.149 0.000 1.104 387 T CB 0.896 69.928 68.868 0.272 0.000 0.996 387 T HN -0.037 nan 8.240 nan 0.000 0.549 388 I N 1.763 122.343 120.570 0.016 0.000 2.465 388 I HA 0.395 4.564 4.170 -0.000 0.000 0.291 388 I C -0.556 175.482 176.117 -0.131 0.000 1.014 388 I CA -1.096 60.156 61.300 -0.080 0.000 1.093 388 I CB 1.529 39.410 38.000 -0.198 0.000 1.267 388 I HN 0.308 nan 8.210 nan 0.000 0.431 389 I N 5.090 125.572 120.570 -0.147 0.000 2.321 389 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 389 I C -0.014 176.034 176.117 -0.115 0.000 0.998 389 I CA -0.279 60.931 61.300 -0.150 0.000 1.227 389 I CB 1.265 39.102 38.000 -0.272 0.000 1.368 389 I HN 0.720 nan 8.210 nan 0.000 0.466 390 Q N 5.534 125.308 119.800 -0.043 0.000 2.421 390 Q HA 0.364 4.704 4.340 -0.000 0.000 0.242 390 Q C -1.012 175.164 176.000 0.294 0.000 1.024 390 Q CA -0.467 55.353 55.803 0.027 0.000 0.891 390 Q CB 1.220 29.843 28.738 -0.192 0.000 1.222 390 Q HN 0.488 nan 8.270 nan 0.000 0.483 391 V N 6.215 126.224 119.914 0.159 0.000 2.470 391 V HA 0.063 4.183 4.120 -0.000 0.000 0.276 391 V C 0.612 176.851 176.094 0.242 0.000 1.040 391 V CA 0.220 62.600 62.300 0.134 0.000 1.008 391 V CB 0.066 31.881 31.823 -0.013 0.000 0.990 391 V HN 0.925 nan 8.190 nan 0.000 0.477 392 W N 4.543 125.918 121.300 0.124 0.000 2.520 392 W HA 0.337 4.996 4.660 -0.000 0.000 0.272 392 W C 0.220 176.650 176.519 -0.148 0.000 0.984 392 W CA -0.641 56.714 57.345 0.017 0.000 1.314 392 W CB 0.325 29.961 29.460 0.295 0.000 0.945 392 W HN 0.334 nan 8.180 nan 0.000 0.596 393 R N 2.546 122.628 120.500 -0.696 0.000 2.254 393 R HA 0.201 4.541 4.340 -0.000 0.000 0.318 393 R C 0.770 176.913 176.300 -0.262 0.000 1.031 393 R CA -0.131 55.557 56.100 -0.686 0.000 0.905 393 R CB 1.833 31.584 30.300 -0.916 0.000 1.050 393 R HN 0.061 nan 8.270 nan 0.000 0.456 394 E N 1.297 121.409 120.200 -0.146 0.000 2.046 394 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 394 E C 0.374 177.020 176.600 0.076 0.000 0.982 394 E CA 1.062 57.498 56.400 0.060 0.000 0.800 394 E CB 0.279 30.003 29.700 0.041 0.000 0.756 394 E HN 0.543 nan 8.360 nan 0.000 0.449 395 D N -0.262 120.126 120.400 -0.019 0.000 3.105 395 D HA 0.098 4.738 4.640 -0.000 0.000 0.291 395 D C 0.365 176.629 176.300 -0.061 0.000 1.218 395 D CA -0.145 53.840 54.000 -0.026 0.000 1.029 395 D CB 0.212 41.006 40.800 -0.010 0.000 1.207 395 D HN -0.017 nan 8.370 nan 0.000 0.437 396 I N 2.965 123.484 120.570 -0.085 0.000 2.428 396 I HA 0.140 4.310 4.170 -0.000 0.000 0.289 396 I C -1.829 174.200 176.117 -0.147 0.000 1.019 396 I CA -2.000 59.246 61.300 -0.090 0.000 1.351 396 I CB 1.785 39.744 38.000 -0.069 0.000 1.412 396 I HN -0.188 nan 8.210 nan 0.000 0.513 397 P HA 0.024 nan 4.420 nan 0.000 0.221 397 P C 0.054 177.329 177.300 -0.042 0.000 1.155 397 P CA 0.707 63.776 63.100 -0.052 0.000 0.812 397 P CB 0.585 32.269 31.700 -0.027 0.000 0.801 398 V N 0.635 120.518 119.914 -0.051 0.000 3.114 398 V HA 0.260 4.380 4.120 -0.000 0.000 0.308 398 V C -0.628 175.427 176.094 -0.066 0.000 1.168 398 V CA -1.386 60.886 62.300 -0.047 0.000 1.015 398 V CB 2.195 34.000 31.823 -0.029 0.000 1.050 398 V HN 0.113 nan 8.190 nan 0.000 0.433 399 N N 3.168 121.821 118.700 -0.078 0.000 2.294 399 N HA -0.101 4.639 4.740 -0.000 0.000 0.248 399 N C 0.938 176.360 175.510 -0.147 0.000 1.242 399 N CA 0.948 53.926 53.050 -0.119 0.000 0.848 399 N CB 0.591 38.979 38.487 -0.166 0.000 1.084 399 N HN 0.865 nan 8.380 nan 0.000 0.457 400 Y N 2.665 122.890 120.300 -0.125 0.000 2.274 400 Y HA -0.097 4.453 4.550 -0.000 0.000 0.290 400 Y C 2.076 177.883 175.900 -0.156 0.000 1.145 400 Y CA 0.862 58.868 58.100 -0.156 0.000 1.203 400 Y CB -0.193 38.159 38.460 -0.180 0.000 0.984 400 Y HN 0.384 nan 8.280 nan 0.000 0.533 401 M N 0.518 119.807 119.600 -0.518 0.000 2.349 401 M HA -0.062 4.418 4.480 -0.000 0.000 0.266 401 M C 1.968 178.132 176.300 -0.226 0.000 1.076 401 M CA 1.159 56.281 55.300 -0.298 0.000 1.126 401 M CB -0.662 31.753 32.600 -0.308 0.000 1.392 401 M HN 0.291 nan 8.290 nan 0.000 0.440 402 K N 0.465 120.743 120.400 -0.203 0.000 2.186 402 K HA -0.058 4.262 4.320 -0.000 0.000 0.202 402 K C 1.775 178.285 176.600 -0.150 0.000 1.052 402 K CA 0.701 56.904 56.287 -0.140 0.000 0.965 402 K CB 0.153 32.596 32.500 -0.095 0.000 0.746 402 K HN 0.247 nan 8.250 nan 0.000 0.457 403 E N 1.071 121.186 120.200 -0.142 0.000 2.058 403 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 403 E C 2.190 178.647 176.600 -0.238 0.000 0.997 403 E CA 0.916 57.240 56.400 -0.126 0.000 0.801 403 E CB -0.213 29.430 29.700 -0.095 0.000 0.746 403 E HN 0.249 nan 8.360 nan 0.000 0.450 404 L N 0.822 121.842 121.223 -0.339 0.000 2.012 404 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 404 L C 2.706 179.108 176.870 -0.780 0.000 1.073 404 L CA 1.639 56.145 54.840 -0.556 0.000 0.748 404 L CB -0.422 41.240 42.059 -0.662 0.000 0.891 404 L HN 0.192 nan 8.230 nan 0.000 0.431 405 E N 0.122 119.833 120.200 -0.815 0.000 2.058 405 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 405 E C 2.236 178.733 176.600 -0.172 0.000 0.997 405 E CA 1.280 57.395 56.400 -0.475 0.000 0.801 405 E CB 0.018 29.639 29.700 -0.132 0.000 0.746 405 E HN 0.231 nan 8.360 nan 0.000 0.450 406 L N 0.336 121.490 121.223 -0.115 0.000 2.083 406 L HA -0.148 4.191 4.340 -0.000 0.000 0.209 406 L C 2.393 179.294 176.870 0.053 0.000 1.083 406 L CA 1.056 55.922 54.840 0.042 0.000 0.752 406 L CB -0.669 41.465 42.059 0.125 0.000 0.899 406 L HN 0.124 nan 8.230 nan 0.000 0.433 407 V N -0.965 118.812 119.914 -0.227 0.000 2.407 407 V HA -0.205 3.914 4.120 -0.000 0.000 0.245 407 V C 2.532 178.551 176.094 -0.125 0.000 1.041 407 V CA 1.817 63.832 62.300 -0.475 0.000 1.040 407 V CB -1.056 30.357 31.823 -0.683 0.000 0.671 407 V HN 0.642 nan 8.190 nan 0.000 0.455 408 T N -1.245 113.234 114.554 -0.125 0.000 2.777 408 T HA -0.244 4.106 4.350 -0.000 0.000 0.266 408 T C 1.873 176.599 174.700 0.044 0.000 1.040 408 T CA 1.635 63.725 62.100 -0.018 0.000 1.141 408 T CB -0.269 68.610 68.868 0.018 0.000 0.868 408 T HN 0.419 nan 8.240 nan 0.000 0.444 409 K N 1.619 122.052 120.400 0.055 0.000 2.063 409 K HA 0.013 4.333 4.320 -0.000 0.000 0.208 409 K C 2.631 179.282 176.600 0.085 0.000 1.048 409 K CA 1.220 57.555 56.287 0.081 0.000 0.928 409 K CB -0.669 31.884 32.500 0.089 0.000 0.713 409 K HN 0.393 nan 8.250 nan 0.000 0.442 410 A N -0.119 122.793 122.820 0.153 0.000 1.940 410 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 410 A C 1.737 179.294 177.584 -0.044 0.000 1.176 410 A CA 2.026 54.182 52.037 0.200 0.000 0.631 410 A CB -0.652 18.715 19.000 0.610 0.000 0.814 410 A HN 0.662 nan 8.150 nan 0.000 0.446 411 G N -3.610 105.145 108.800 -0.076 0.000 2.205 411 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.180 411 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.180 411 G C 0.098 174.843 174.900 -0.258 0.000 1.004 411 G CA -0.078 44.901 45.100 -0.201 0.000 0.670 411 G HN 0.348 nan 8.290 nan 0.000 0.496 412 F N 1.095 121.044 119.950 -0.001 0.000 2.368 412 F HA 0.727 5.254 4.527 -0.000 0.000 0.308 412 F C 1.420 177.178 175.800 -0.069 0.000 1.198 412 F CA -0.397 57.585 58.000 -0.030 0.000 1.130 412 F CB 0.496 39.465 39.000 -0.051 0.000 1.300 412 F HN -0.112 nan 8.300 nan 0.000 0.537 413 R N 0.341 120.920 120.500 0.133 0.000 2.540 413 R HA 0.783 5.123 4.340 -0.000 0.000 0.287 413 R C -1.043 175.225 176.300 -0.052 0.000 0.980 413 R CA -0.912 55.198 56.100 0.016 0.000 0.966 413 R CB 1.563 31.852 30.300 -0.018 0.000 1.106 413 R HN 0.720 nan 8.270 nan 0.000 0.480 414 A N 2.913 125.682 122.820 -0.085 0.000 2.414 414 A HA 0.624 4.944 4.320 -0.000 0.000 0.306 414 A C -1.386 176.106 177.584 -0.153 0.000 1.054 414 A CA -0.737 51.222 52.037 -0.130 0.000 0.724 414 A CB 1.191 20.107 19.000 -0.140 0.000 1.267 414 A HN 0.343 nan 8.150 nan 0.000 0.418 415 L N 1.801 122.927 121.223 -0.161 0.000 2.346 415 L HA 0.564 4.904 4.340 -0.000 0.000 0.274 415 L C -0.555 176.279 176.870 -0.060 0.000 1.007 415 L CA -0.655 54.097 54.840 -0.147 0.000 0.818 415 L CB 1.054 42.986 42.059 -0.212 0.000 1.284 415 L HN 0.707 nan 8.230 nan 0.000 0.424 416 L N 1.652 122.855 121.223 -0.033 0.000 2.275 416 L HA 0.463 4.803 4.340 -0.000 0.000 0.288 416 L C 0.664 177.558 176.870 0.040 0.000 1.046 416 L CA 0.889 55.689 54.840 -0.066 0.000 0.805 416 L CB 1.436 43.357 42.059 -0.229 0.000 1.193 416 L HN 0.708 nan 8.230 nan 0.000 0.426 417 S N 2.598 118.321 115.700 0.038 0.000 2.687 417 S HA 0.250 4.720 4.470 -0.000 0.000 0.247 417 S C 1.490 175.967 174.600 -0.206 0.000 1.050 417 S CA 0.251 58.543 58.200 0.154 0.000 1.063 417 S CB 0.666 64.159 63.200 0.487 0.000 1.039 417 S HN 0.784 nan 8.310 nan 0.000 0.580 418 A N 3.217 125.785 122.820 -0.420 0.000 1.858 418 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 418 A C -0.382 176.741 177.584 -0.768 0.000 1.190 418 A CA 1.496 53.127 52.037 -0.677 0.000 0.617 418 A CB -1.513 17.091 19.000 -0.660 0.000 0.827 418 A HN 0.434 nan 8.150 nan 0.000 0.443 419 P HA 0.014 nan 4.420 nan 0.000 0.251 419 P C -0.191 177.034 177.300 -0.125 0.000 1.223 419 P CA 0.302 63.071 63.100 -0.552 0.000 0.796 419 P CB 0.020 31.287 31.700 -0.721 0.000 1.068 420 W N -0.132 121.077 121.300 -0.152 0.000 2.637 420 W HA 0.275 4.935 4.660 -0.000 0.000 0.420 420 W C -0.332 176.137 176.519 -0.084 0.000 0.766 420 W CA -0.875 56.347 57.345 -0.205 0.000 2.499 420 W CB -0.764 28.636 29.460 -0.100 0.000 1.395 420 W HN -0.086 nan 8.180 nan 0.000 0.802 421 Y N 1.564 121.863 120.300 -0.002 0.000 2.627 421 Y HA 0.128 4.678 4.550 -0.000 0.000 0.347 421 Y C 1.417 177.292 175.900 -0.041 0.000 1.099 421 Y CA -0.677 57.451 58.100 0.046 0.000 1.408 421 Y CB -0.151 38.403 38.460 0.157 0.000 1.247 421 Y HN -0.051 nan 8.280 nan 0.000 0.506 422 L N 1.961 123.178 121.223 -0.010 0.000 2.201 422 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 422 L C 2.030 178.913 176.870 0.022 0.000 1.105 422 L CA 0.955 55.737 54.840 -0.097 0.000 0.775 422 L CB -0.076 41.866 42.059 -0.195 0.000 0.913 422 L HN 0.558 nan 8.230 nan 0.000 0.440 423 N N 1.063 119.785 118.700 0.037 0.000 2.364 423 N HA -0.238 4.502 4.740 -0.000 0.000 0.183 423 N C 1.268 176.888 175.510 0.183 0.000 1.022 423 N CA 0.647 53.756 53.050 0.099 0.000 0.883 423 N CB -0.340 38.208 38.487 0.102 0.000 0.965 423 N HN 0.259 nan 8.380 nan 0.000 0.438 424 R N 1.889 122.511 120.500 0.203 0.000 2.419 424 R HA 0.242 4.582 4.340 -0.000 0.000 0.305 424 R C 0.165 176.602 176.300 0.228 0.000 1.242 424 R CA -0.383 55.854 56.100 0.229 0.000 1.105 424 R CB -0.310 30.145 30.300 0.258 0.000 1.116 424 R HN 0.249 nan 8.270 nan 0.000 0.523 425 I N 1.062 121.739 120.570 0.178 0.000 2.720 425 I HA 0.401 4.571 4.170 -0.000 0.000 0.287 425 I C -0.338 175.862 176.117 0.138 0.000 1.090 425 I CA -0.512 60.881 61.300 0.154 0.000 1.384 425 I CB 1.548 39.610 38.000 0.102 0.000 1.420 425 I HN 0.540 nan 8.210 nan 0.000 0.575 426 S N 2.921 118.703 115.700 0.137 0.000 2.547 426 S HA 0.352 4.822 4.470 -0.000 0.000 0.270 426 S C -0.885 173.795 174.600 0.134 0.000 1.150 426 S CA -0.877 57.402 58.200 0.132 0.000 0.850 426 S CB 0.907 64.182 63.200 0.124 0.000 1.118 426 S HN 0.674 nan 8.310 nan 0.000 0.461 427 Y N 2.547 122.868 120.300 0.035 0.000 2.702 427 Y HA 0.377 4.927 4.550 -0.000 0.000 0.336 427 Y C 1.124 177.039 175.900 0.026 0.000 1.235 427 Y CA 2.286 60.403 58.100 0.028 0.000 1.492 427 Y CB -0.343 38.127 38.460 0.016 0.000 1.308 427 Y HN 1.680 nan 8.280 nan 0.000 0.589 428 G N 4.832 113.223 108.800 -0.682 0.000 2.698 428 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.233 428 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.233 428 G C -2.752 172.050 174.900 -0.165 0.000 1.352 428 G CA -0.638 44.179 45.100 -0.471 0.000 0.879 428 G HN 0.724 nan 8.290 nan 0.000 0.567 429 P HA 0.271 nan 4.420 nan 0.000 0.244 429 P C 0.096 177.236 177.300 -0.267 0.000 1.769 429 P CA 0.306 63.357 63.100 -0.082 0.000 1.102 429 P CB 0.105 31.733 31.700 -0.120 0.000 1.937 430 D N 0.579 120.880 120.400 -0.166 0.000 2.349 430 D HA -0.143 4.497 4.640 -0.000 0.000 0.224 430 D C 1.440 177.358 176.300 -0.637 0.000 1.029 430 D CA 0.003 53.800 54.000 -0.338 0.000 0.879 430 D CB -0.760 39.916 40.800 -0.206 0.000 0.906 430 D HN 0.462 nan 8.370 nan 0.000 0.528 431 W N 1.821 122.956 121.300 -0.275 0.000 2.392 431 W HA -0.033 4.627 4.660 -0.000 0.000 0.279 431 W C 0.813 177.320 176.519 -0.020 0.000 1.225 431 W CA 0.273 57.559 57.345 -0.098 0.000 1.233 431 W CB -0.479 29.043 29.460 0.103 0.000 1.122 431 W HN -0.042 nan 8.180 nan 0.000 0.561 432 K N 0.929 120.869 120.400 -0.767 0.000 2.288 432 K HA -0.099 4.221 4.320 -0.000 0.000 0.201 432 K C 1.260 177.774 176.600 -0.144 0.000 1.048 432 K CA 1.858 57.757 56.287 -0.647 0.000 0.956 432 K CB -0.168 31.803 32.500 -0.883 0.000 0.746 432 K HN 0.094 nan 8.250 nan 0.000 0.461 433 D N 0.350 120.608 120.400 -0.237 0.000 2.137 433 D HA -0.097 4.543 4.640 -0.000 0.000 0.202 433 D C 1.421 177.857 176.300 0.228 0.000 0.970 433 D CA 0.973 54.931 54.000 -0.071 0.000 0.837 433 D CB -0.099 40.583 40.800 -0.196 0.000 0.981 433 D HN 0.061 nan 8.370 nan 0.000 0.475 434 F N -0.209 119.989 119.950 0.413 0.000 2.216 434 F HA -0.077 4.450 4.527 -0.000 0.000 0.300 434 F C 2.140 178.335 175.800 0.659 0.000 1.085 434 F CA 0.291 58.676 58.000 0.642 0.000 1.326 434 F CB -1.189 38.107 39.000 0.493 0.000 1.027 434 F HN 0.035 nan 8.300 nan 0.000 0.497 435 Y N 0.002 120.632 120.300 0.550 0.000 2.220 435 Y HA -0.109 4.441 4.550 -0.000 0.000 0.291 435 Y C 2.543 178.679 175.900 0.393 0.000 1.129 435 Y CA 1.292 59.681 58.100 0.482 0.000 1.161 435 Y CB -0.575 38.207 38.460 0.537 0.000 0.997 435 Y HN -0.123 nan 8.280 nan 0.000 0.522 436 V N -0.184 119.937 119.914 0.346 0.000 2.548 436 V HA -0.065 4.054 4.120 -0.000 0.000 0.249 436 V C 0.816 177.026 176.094 0.193 0.000 1.055 436 V CA 0.495 62.915 62.300 0.201 0.000 1.065 436 V CB -0.458 31.472 31.823 0.178 0.000 0.681 436 V HN 0.071 nan 8.190 nan 0.000 0.462 437 V N 2.228 122.318 119.914 0.294 0.000 2.678 437 V HA -0.072 4.048 4.120 -0.000 0.000 0.304 437 V C 0.337 176.583 176.094 0.255 0.000 1.086 437 V CA 0.804 63.265 62.300 0.268 0.000 1.246 437 V CB 0.293 32.274 31.823 0.263 0.000 0.861 437 V HN 0.646 nan 8.190 nan 0.000 0.491 438 E N 8.212 128.523 120.200 0.184 0.000 2.114 438 E HA 0.398 4.748 4.350 -0.000 0.000 0.266 438 E C -1.922 174.792 176.600 0.189 0.000 0.896 438 E CA -2.418 54.090 56.400 0.180 0.000 0.750 438 E CB 1.821 31.593 29.700 0.120 0.000 1.121 438 E HN 0.296 nan 8.360 nan 0.000 0.413 439 P HA -0.120 nan 4.420 nan 0.000 0.215 439 P C 0.465 177.939 177.300 0.291 0.000 1.153 439 P CA 1.155 64.395 63.100 0.233 0.000 0.853 439 P CB 0.207 32.079 31.700 0.288 0.000 0.788 440 L N -1.522 119.836 121.223 0.226 0.000 2.688 440 L HA 0.268 4.608 4.340 -0.000 0.000 0.234 440 L C 0.794 177.578 176.870 -0.142 0.000 1.192 440 L CA -0.453 54.403 54.840 0.026 0.000 0.984 440 L CB -0.523 41.536 42.059 -0.000 0.000 1.232 440 L HN -0.124 nan 8.230 nan 0.000 0.465 441 A N 1.316 124.165 122.820 0.049 0.000 3.091 441 A HA 0.482 4.802 4.320 -0.000 0.000 0.264 441 A C -0.266 177.383 177.584 0.108 0.000 1.673 441 A CA -0.255 51.796 52.037 0.023 0.000 1.362 441 A CB -0.869 18.165 19.000 0.056 0.000 1.137 441 A HN 0.407 nan 8.150 nan 0.000 0.617 442 F N -2.119 117.827 119.950 -0.007 0.000 2.745 442 F HA 0.734 5.261 4.527 -0.000 0.000 0.316 442 F C -0.598 175.198 175.800 -0.007 0.000 1.155 442 F CA -1.468 56.519 58.000 -0.022 0.000 0.937 442 F CB 0.829 39.810 39.000 -0.032 0.000 1.361 442 F HN 0.048 nan 8.300 nan 0.000 0.472 443 E N 0.611 120.969 120.200 0.263 0.000 2.316 443 E HA 0.585 4.935 4.350 -0.000 0.000 0.275 443 E C 0.039 176.771 176.600 0.220 0.000 1.029 443 E CA 0.715 57.199 56.400 0.141 0.000 0.871 443 E CB 0.991 30.763 29.700 0.121 0.000 1.022 443 E HN 1.121 nan 8.360 nan 0.000 0.418 444 G N 1.918 110.755 108.800 0.061 0.000 2.337 444 G HA2 0.187 4.147 3.960 -0.000 0.000 0.298 444 G HA3 0.187 4.147 3.960 -0.000 0.000 0.298 444 G C -0.570 174.332 174.900 0.004 0.000 1.335 444 G CA -0.337 44.818 45.100 0.091 0.000 0.875 444 G HN 0.606 nan 8.290 nan 0.000 0.579 445 T N -0.898 113.676 114.554 0.032 0.000 2.847 445 T HA 0.602 4.952 4.350 -0.000 0.000 0.279 445 T C -1.619 173.078 174.700 -0.005 0.000 0.984 445 T CA -1.020 61.085 62.100 0.008 0.000 0.988 445 T CB 1.866 70.747 68.868 0.022 0.000 1.040 445 T HN 0.203 nan 8.240 nan 0.000 0.528 446 P HA -0.091 nan 4.420 nan 0.000 0.218 446 P C 1.478 178.785 177.300 0.012 0.000 1.149 446 P CA 0.867 63.961 63.100 -0.010 0.000 0.817 446 P CB 0.092 31.785 31.700 -0.011 0.000 0.785 447 E N -0.304 119.909 120.200 0.022 0.000 2.276 447 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 447 E C 1.962 178.592 176.600 0.051 0.000 0.983 447 E CA 0.503 56.921 56.400 0.030 0.000 0.861 447 E CB -0.925 28.786 29.700 0.019 0.000 0.817 447 E HN 0.314 nan 8.360 nan 0.000 0.485 448 Q N 1.343 121.183 119.800 0.066 0.000 2.167 448 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 448 Q C 1.733 177.837 176.000 0.173 0.000 0.970 448 Q CA 1.088 56.956 55.803 0.107 0.000 0.855 448 Q CB 0.120 28.933 28.738 0.126 0.000 0.911 448 Q HN 0.181 nan 8.270 nan 0.000 0.438 449 K N -0.431 120.058 120.400 0.148 0.000 2.296 449 K HA 0.024 4.344 4.320 -0.000 0.000 0.200 449 K C 1.867 178.570 176.600 0.171 0.000 1.048 449 K CA 0.627 57.022 56.287 0.180 0.000 0.966 449 K CB 0.101 32.592 32.500 -0.016 0.000 0.754 449 K HN 0.159 nan 8.250 nan 0.000 0.466 450 A N 1.196 124.085 122.820 0.115 0.000 2.015 450 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 450 A C 1.919 179.574 177.584 0.118 0.000 1.163 450 A CA 1.022 53.122 52.037 0.105 0.000 0.646 450 A CB -0.471 18.565 19.000 0.060 0.000 0.806 450 A HN 0.173 nan 8.150 nan 0.000 0.448 451 L N 0.023 121.310 121.223 0.107 0.000 2.362 451 L HA -0.047 4.293 4.340 -0.000 0.000 0.219 451 L C 0.225 177.142 176.870 0.079 0.000 1.134 451 L CA -0.069 54.818 54.840 0.078 0.000 0.807 451 L CB -0.352 41.741 42.059 0.056 0.000 0.927 451 L HN 0.101 nan 8.230 nan 0.000 0.447 452 V N 2.418 122.409 119.914 0.129 0.000 2.421 452 V HA -0.058 4.062 4.120 -0.000 0.000 0.271 452 V C 1.280 177.440 176.094 0.110 0.000 1.031 452 V CA 0.290 62.643 62.300 0.088 0.000 1.032 452 V CB 0.401 32.311 31.823 0.145 0.000 1.009 452 V HN 0.264 nan 8.190 nan 0.000 0.477 453 I N 1.904 122.478 120.570 0.006 0.000 3.883 453 I HA 0.628 4.798 4.170 -0.000 0.000 0.326 453 I C 1.079 177.213 176.117 0.028 0.000 1.283 453 I CA 0.569 61.920 61.300 0.086 0.000 1.161 453 I CB -0.142 37.876 38.000 0.031 0.000 1.012 453 I HN 0.714 nan 8.210 nan 0.000 0.421 454 G N 0.764 109.360 108.800 -0.340 0.000 2.181 454 G HA2 0.375 4.335 3.960 -0.000 0.000 0.098 454 G HA3 0.375 4.335 3.960 -0.000 0.000 0.098 454 G C -0.388 174.391 174.900 -0.202 0.000 1.237 454 G CA -0.236 44.577 45.100 -0.478 0.000 1.238 454 G HN 0.811 nan 8.290 nan 0.000 0.468 455 G N -1.079 107.777 108.800 0.093 0.000 2.349 455 G HA2 0.614 4.574 3.960 -0.000 0.000 0.294 455 G HA3 0.614 4.574 3.960 -0.000 0.000 0.294 455 G C -2.024 173.071 174.900 0.325 0.000 1.380 455 G CA 0.115 45.361 45.100 0.242 0.000 0.811 455 G HN 0.802 nan 8.290 nan 0.000 0.519 456 E N -0.709 119.705 120.200 0.356 0.000 2.308 456 E HA 0.578 4.928 4.350 -0.000 0.000 0.275 456 E C -0.108 176.662 176.600 0.285 0.000 0.890 456 E CA -0.834 55.737 56.400 0.285 0.000 0.754 456 E CB 2.539 32.415 29.700 0.294 0.000 1.207 456 E HN 0.835 nan 8.360 nan 0.000 0.426 457 A N 1.495 124.390 122.820 0.123 0.000 2.351 457 A HA 0.431 4.751 4.320 -0.000 0.000 0.257 457 A C -0.452 177.124 177.584 -0.014 0.000 1.087 457 A CA -0.283 51.789 52.037 0.058 0.000 0.798 457 A CB 0.403 19.332 19.000 -0.119 0.000 1.033 457 A HN 0.697 nan 8.150 nan 0.000 0.488 458 C N 3.044 122.325 119.300 -0.032 0.000 2.346 458 C HA 0.508 4.968 4.460 -0.000 0.000 0.326 458 C C -0.173 174.530 174.990 -0.478 0.000 1.224 458 C CA -0.552 58.254 59.018 -0.353 0.000 1.408 458 C CB 0.464 28.011 27.740 -0.322 0.000 2.089 458 C HN 0.811 nan 8.230 nan 0.000 0.456 459 M N 3.303 122.559 119.600 -0.574 0.000 2.080 459 M HA 0.270 4.750 4.480 -0.000 0.000 0.350 459 M C -0.915 175.075 176.300 -0.517 0.000 1.143 459 M CA -0.273 54.772 55.300 -0.425 0.000 1.064 459 M CB 0.262 32.681 32.600 -0.303 0.000 1.429 459 M HN 0.731 nan 8.290 nan 0.000 0.418 460 W N 1.747 122.882 121.300 -0.274 0.000 2.365 460 W HA 0.445 5.105 4.660 -0.000 0.000 0.316 460 W C 1.423 177.831 176.519 -0.185 0.000 1.164 460 W CA -0.611 56.556 57.345 -0.297 0.000 1.204 460 W CB 0.916 30.117 29.460 -0.432 0.000 1.213 460 W HN 0.836 nan 8.180 nan 0.000 0.539 461 G N 1.335 110.221 108.800 0.143 0.000 2.402 461 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.216 461 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.216 461 G C 1.140 176.132 174.900 0.154 0.000 1.162 461 G CA 1.250 46.444 45.100 0.156 0.000 0.777 461 G HN 0.564 nan 8.290 nan 0.000 0.539 462 E N 0.035 120.208 120.200 -0.045 0.000 2.755 462 E HA -0.313 4.037 4.350 -0.000 0.000 0.241 462 E C 1.713 178.237 176.600 -0.126 0.000 0.977 462 E CA 2.757 58.970 56.400 -0.311 0.000 1.398 462 E CB -0.782 28.407 29.700 -0.851 0.000 1.343 462 E HN 0.763 nan 8.360 nan 0.000 0.482 463 Y N -2.033 118.395 120.300 0.213 0.000 2.481 463 Y HA 0.409 4.959 4.550 -0.000 0.000 0.247 463 Y C 0.231 176.131 175.900 -0.000 0.000 1.151 463 Y CA -0.481 57.714 58.100 0.157 0.000 1.238 463 Y CB 0.390 38.899 38.460 0.080 0.000 1.179 463 Y HN -0.160 nan 8.280 nan 0.000 0.524 464 V N 1.918 121.896 119.914 0.106 0.000 2.966 464 V HA 0.579 4.699 4.120 -0.000 0.000 0.317 464 V C -0.295 175.683 176.094 -0.194 0.000 1.070 464 V CA -0.598 61.690 62.300 -0.021 0.000 1.008 464 V CB 1.695 33.535 31.823 0.028 0.000 1.070 464 V HN 0.380 nan 8.190 nan 0.000 0.457 465 D N -0.212 120.093 120.400 -0.158 0.000 3.235 465 D HA -0.019 4.621 4.640 -0.000 0.000 0.360 465 D C 0.214 176.469 176.300 -0.076 0.000 1.465 465 D CA -0.508 53.420 54.000 -0.120 0.000 0.874 465 D CB 0.276 40.937 40.800 -0.231 0.000 1.465 465 D HN 0.340 nan 8.370 nan 0.000 0.533 466 N N -1.110 117.557 118.700 -0.054 0.000 2.680 466 N HA -0.084 4.655 4.740 -0.000 0.000 0.197 466 N C 0.345 175.832 175.510 -0.039 0.000 1.288 466 N CA 0.831 53.855 53.050 -0.044 0.000 0.924 466 N CB 0.104 38.570 38.487 -0.036 0.000 1.025 466 N HN 0.355 nan 8.380 nan 0.000 0.447 467 T N -0.269 114.254 114.554 -0.053 0.000 3.018 467 T HA 0.049 4.399 4.350 -0.000 0.000 0.246 467 T C 0.793 175.468 174.700 -0.042 0.000 1.026 467 T CA 0.430 62.505 62.100 -0.042 0.000 1.081 467 T CB 0.146 68.986 68.868 -0.046 0.000 0.970 467 T HN 0.494 nan 8.240 nan 0.000 0.475 468 N N 0.552 119.221 118.700 -0.052 0.000 2.142 468 N HA 0.119 4.859 4.740 -0.000 0.000 0.233 468 N C 1.082 176.559 175.510 -0.054 0.000 1.335 468 N CA -0.143 52.878 53.050 -0.048 0.000 0.837 468 N CB -0.586 37.880 38.487 -0.036 0.000 1.238 468 N HN 0.244 nan 8.380 nan 0.000 0.501 469 L N 1.029 122.218 121.223 -0.058 0.000 1.961 469 L HA -0.003 4.337 4.340 -0.000 0.000 0.210 469 L C 1.794 178.612 176.870 -0.086 0.000 1.072 469 L CA 1.619 56.416 54.840 -0.073 0.000 0.749 469 L CB -0.628 41.392 42.059 -0.065 0.000 0.889 469 L HN -0.027 nan 8.230 nan 0.000 0.432 470 V N 1.100 120.994 119.914 -0.033 0.000 2.252 470 V HA -0.236 3.884 4.120 -0.000 0.000 0.249 470 V C -0.176 175.929 176.094 0.018 0.000 1.056 470 V CA 2.458 64.790 62.300 0.054 0.000 1.022 470 V CB -2.515 29.353 31.823 0.075 0.000 0.641 470 V HN 0.451 nan 8.190 nan 0.000 0.445 471 P HA -0.195 nan 4.420 nan 0.000 0.216 471 P C 1.685 178.942 177.300 -0.072 0.000 1.153 471 P CA 1.638 64.693 63.100 -0.076 0.000 0.848 471 P CB -0.103 31.535 31.700 -0.102 0.000 0.787 472 R N -0.433 120.017 120.500 -0.083 0.000 2.096 472 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 472 R C 2.559 178.766 176.300 -0.154 0.000 1.127 472 R CA 0.918 56.971 56.100 -0.078 0.000 0.968 472 R CB -0.766 29.500 30.300 -0.057 0.000 0.861 472 R HN 0.130 nan 8.270 nan 0.000 0.440 473 L N -0.682 120.358 121.223 -0.305 0.000 1.973 473 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 473 L C 0.322 176.831 176.870 -0.601 0.000 1.073 473 L CA 1.113 55.566 54.840 -0.646 0.000 0.746 473 L CB -0.151 41.227 42.059 -1.135 0.000 0.891 473 L HN 0.160 nan 8.230 nan 0.000 0.433 474 W N -0.784 120.467 121.300 -0.082 0.000 2.512 474 W HA 0.320 4.980 4.660 -0.000 0.000 0.335 474 W C -1.772 174.652 176.519 -0.158 0.000 1.088 474 W CA -1.722 55.551 57.345 -0.119 0.000 1.236 474 W CB -0.012 29.360 29.460 -0.145 0.000 1.307 474 W HN -0.134 nan 8.180 nan 0.000 0.567 475 P HA 0.145 nan 4.420 nan 0.000 0.249 475 P C 0.796 178.094 177.300 -0.004 0.000 1.583 475 P CA 0.054 63.174 63.100 0.033 0.000 0.988 475 P CB 0.247 31.799 31.700 -0.247 0.000 1.530 476 R N 0.477 120.999 120.500 0.037 0.000 2.075 476 R HA 0.008 4.348 4.340 -0.000 0.000 0.232 476 R C 2.094 178.485 176.300 0.152 0.000 1.126 476 R CA 1.528 57.722 56.100 0.157 0.000 0.963 476 R CB -0.847 29.588 30.300 0.226 0.000 0.858 476 R HN 0.163 nan 8.270 nan 0.000 0.435 477 A N 0.760 123.554 122.820 -0.043 0.000 2.125 477 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 477 A C 2.238 179.926 177.584 0.174 0.000 1.156 477 A CA 1.499 53.475 52.037 -0.101 0.000 0.671 477 A CB -0.738 17.942 19.000 -0.532 0.000 0.794 477 A HN 0.463 nan 8.150 nan 0.000 0.459 478 G N -0.465 108.516 108.800 0.301 0.000 2.422 478 G HA2 0.039 3.999 3.960 -0.000 0.000 0.218 478 G HA3 0.039 3.999 3.960 -0.000 0.000 0.218 478 G C 1.665 176.901 174.900 0.560 0.000 1.140 478 G CA 1.187 46.511 45.100 0.373 0.000 0.775 478 G HN 0.711 nan 8.290 nan 0.000 0.545 479 A N 0.428 123.527 122.820 0.465 0.000 1.877 479 A HA 0.040 4.360 4.320 -0.000 0.000 0.216 479 A C 2.596 180.498 177.584 0.529 0.000 1.186 479 A CA 1.895 54.374 52.037 0.737 0.000 0.620 479 A CB -0.695 18.787 19.000 0.804 0.000 0.822 479 A HN 0.277 nan 8.150 nan 0.000 0.443 480 V N 0.056 120.067 119.914 0.161 0.000 2.392 480 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 480 V C 3.016 179.052 176.094 -0.095 0.000 1.059 480 V CA 1.918 64.015 62.300 -0.339 0.000 1.051 480 V CB -1.476 29.953 31.823 -0.657 0.000 0.658 480 V HN 0.616 nan 8.190 nan 0.000 0.455 481 A N -0.021 122.896 122.820 0.162 0.000 1.908 481 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 481 A C 2.314 180.043 177.584 0.242 0.000 1.181 481 A CA 2.215 54.401 52.037 0.249 0.000 0.627 481 A CB -0.496 18.735 19.000 0.386 0.000 0.818 481 A HN 0.655 nan 8.150 nan 0.000 0.445 482 E N -0.866 119.490 120.200 0.260 0.000 2.072 482 E HA -0.222 4.128 4.350 -0.000 0.000 0.190 482 E C 2.227 178.895 176.600 0.114 0.000 0.982 482 E CA 1.080 57.485 56.400 0.008 0.000 0.803 482 E CB -0.106 29.360 29.700 -0.390 0.000 0.755 482 E HN 0.336 nan 8.360 nan 0.000 0.453 483 R N 0.661 121.239 120.500 0.130 0.000 2.117 483 R HA -0.111 4.229 4.340 -0.000 0.000 0.243 483 R C 2.035 178.474 176.300 0.233 0.000 1.143 483 R CA 1.485 57.648 56.100 0.104 0.000 0.968 483 R CB -0.584 29.792 30.300 0.127 0.000 0.863 483 R HN 0.329 nan 8.270 nan 0.000 0.444 484 L N -1.509 119.862 121.223 0.248 0.000 2.307 484 L HA 0.003 4.343 4.340 -0.000 0.000 0.211 484 L C 2.240 179.336 176.870 0.378 0.000 1.099 484 L CA 0.489 55.589 54.840 0.434 0.000 0.816 484 L CB -0.365 41.882 42.059 0.314 0.000 0.952 484 L HN 0.296 nan 8.230 nan 0.000 0.455 485 W N 0.482 121.838 121.300 0.094 0.000 2.633 485 W HA 0.142 4.802 4.660 -0.000 0.000 0.295 485 W C 0.945 177.417 176.519 -0.079 0.000 1.133 485 W CA 0.234 57.585 57.345 0.010 0.000 1.490 485 W CB -0.036 29.417 29.460 -0.012 0.000 1.127 485 W HN -0.093 nan 8.180 nan 0.000 0.538 486 S N 1.852 117.698 115.700 0.243 0.000 2.589 486 S HA -0.026 4.444 4.470 -0.000 0.000 0.265 486 S C 0.233 174.821 174.600 -0.019 0.000 1.342 486 S CA -0.552 57.724 58.200 0.126 0.000 1.005 486 S CB 0.350 63.637 63.200 0.146 0.000 0.909 486 S HN 0.161 nan 8.310 nan 0.000 0.555 487 N N 0.965 119.650 118.700 -0.025 0.000 2.344 487 N HA -0.035 4.705 4.740 -0.000 0.000 0.236 487 N C 1.100 176.603 175.510 -0.012 0.000 1.279 487 N CA 0.149 53.168 53.050 -0.052 0.000 0.882 487 N CB 0.320 38.800 38.487 -0.011 0.000 1.110 487 N HN 0.571 nan 8.380 nan 0.000 0.436 488 K N 1.825 122.211 120.400 -0.023 0.000 2.209 488 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 488 K C 1.767 178.379 176.600 0.021 0.000 1.048 488 K CA 0.988 57.277 56.287 0.003 0.000 0.940 488 K CB 0.084 32.581 32.500 -0.005 0.000 0.729 488 K HN 0.544 nan 8.250 nan 0.000 0.451 489 L N 0.133 121.373 121.223 0.028 0.000 2.162 489 L HA -0.030 4.310 4.340 -0.000 0.000 0.205 489 L C 0.730 177.637 176.870 0.061 0.000 1.086 489 L CA 0.442 55.306 54.840 0.040 0.000 0.778 489 L CB -0.184 41.898 42.059 0.038 0.000 0.928 489 L HN -0.034 nan 8.230 nan 0.000 0.446 490 T N 0.658 115.262 114.554 0.083 0.000 2.761 490 T HA 0.062 4.412 4.350 -0.000 0.000 0.262 490 T C 0.870 175.653 174.700 0.140 0.000 0.968 490 T CA 0.622 62.800 62.100 0.130 0.000 1.235 490 T CB -0.122 68.849 68.868 0.171 0.000 0.925 490 T HN 0.444 nan 8.240 nan 0.000 0.545 491 S N 0.398 116.218 115.700 0.200 0.000 2.760 491 S HA 0.112 4.582 4.470 -0.000 0.000 0.263 491 S C -0.196 174.638 174.600 0.390 0.000 1.007 491 S CA -0.706 57.649 58.200 0.258 0.000 1.358 491 S CB -0.100 63.162 63.200 0.102 0.000 1.228 491 S HN 0.553 nan 8.310 nan 0.000 0.684 492 D N 2.778 123.362 120.400 0.306 0.000 2.389 492 D HA 0.160 4.800 4.640 -0.000 0.000 0.263 492 D C 1.246 177.726 176.300 0.301 0.000 1.255 492 D CA -0.282 53.867 54.000 0.249 0.000 0.914 492 D CB 0.313 41.212 40.800 0.165 0.000 1.116 492 D HN -0.000 nan 8.370 nan 0.000 0.502 493 L N 3.472 124.842 121.223 0.245 0.000 2.191 493 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 493 L C 2.121 179.122 176.870 0.219 0.000 1.103 493 L CA 1.271 56.232 54.840 0.202 0.000 0.769 493 L CB -1.406 40.713 42.059 0.101 0.000 0.908 493 L HN 0.516 nan 8.230 nan 0.000 0.438 494 T N -0.970 113.701 114.554 0.196 0.000 2.812 494 T HA -0.192 4.158 4.350 -0.000 0.000 0.264 494 T C 1.757 176.628 174.700 0.285 0.000 1.042 494 T CA 0.932 63.157 62.100 0.208 0.000 1.140 494 T CB -0.405 68.547 68.868 0.141 0.000 0.870 494 T HN 0.202 nan 8.240 nan 0.000 0.445 495 F N 1.530 121.525 119.950 0.075 0.000 2.325 495 F HA 0.099 4.626 4.527 -0.000 0.000 0.299 495 F C 2.409 178.239 175.800 0.049 0.000 1.090 495 F CA 0.538 58.542 58.000 0.007 0.000 1.392 495 F CB -0.097 38.846 39.000 -0.094 0.000 1.053 495 F HN 0.144 nan 8.300 nan 0.000 0.521 496 A N -0.278 122.599 122.820 0.096 0.000 1.872 496 A HA -0.230 4.090 4.320 -0.000 0.000 0.214 496 A C 1.925 179.609 177.584 0.165 0.000 1.187 496 A CA 1.506 53.575 52.037 0.053 0.000 0.614 496 A CB -1.504 17.385 19.000 -0.185 0.000 0.826 496 A HN 0.611 nan 8.150 nan 0.000 0.442 497 Y N 0.889 121.309 120.300 0.200 0.000 2.145 497 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 497 Y C 2.244 178.143 175.900 -0.002 0.000 1.145 497 Y CA 2.303 60.489 58.100 0.144 0.000 1.148 497 Y CB -0.360 38.275 38.460 0.291 0.000 0.981 497 Y HN 0.465 nan 8.280 nan 0.000 0.507 498 E N -0.151 120.096 120.200 0.077 0.000 2.097 498 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 498 E C 2.288 178.789 176.600 -0.165 0.000 1.000 498 E CA 1.741 58.117 56.400 -0.041 0.000 0.804 498 E CB -0.151 29.582 29.700 0.054 0.000 0.740 498 E HN 0.525 nan 8.360 nan 0.000 0.454 499 R N -0.219 120.178 120.500 -0.171 0.000 2.100 499 R HA -0.020 4.320 4.340 -0.000 0.000 0.220 499 R C 2.357 178.630 176.300 -0.046 0.000 1.091 499 R CA 0.358 56.416 56.100 -0.069 0.000 0.986 499 R CB -0.152 30.111 30.300 -0.062 0.000 0.888 499 R HN 0.094 nan 8.270 nan 0.000 0.444 500 L N 1.032 122.073 121.223 -0.304 0.000 2.109 500 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 500 L C 2.165 178.680 176.870 -0.591 0.000 1.086 500 L CA 1.807 56.175 54.840 -0.785 0.000 0.760 500 L CB -0.328 40.933 42.059 -1.330 0.000 0.910 500 L HN 0.114 nan 8.230 nan 0.000 0.437 501 S N -2.427 112.907 115.700 -0.611 0.000 2.428 501 S HA -0.237 4.233 4.470 -0.000 0.000 0.230 501 S C 2.041 176.440 174.600 -0.336 0.000 1.014 501 S CA 1.045 58.915 58.200 -0.550 0.000 0.957 501 S CB -0.851 61.859 63.200 -0.818 0.000 0.784 501 S HN 0.695 nan 8.310 nan 0.000 0.499 502 H N 0.690 119.571 119.070 -0.314 0.000 2.363 502 H HA 0.111 4.667 4.556 -0.000 0.000 0.301 502 H C 1.685 176.924 175.328 -0.147 0.000 1.074 502 H CA 1.629 57.557 56.048 -0.199 0.000 1.354 502 H CB -0.480 29.201 29.762 -0.134 0.000 1.397 502 H HN 0.481 nan 8.280 nan 0.000 0.516 503 F N 0.767 120.557 119.950 -0.267 0.000 2.186 503 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 503 F C 2.731 178.300 175.800 -0.385 0.000 1.090 503 F CA 0.881 58.690 58.000 -0.318 0.000 1.307 503 F CB -0.108 38.699 39.000 -0.321 0.000 1.019 503 F HN 0.043 nan 8.300 nan 0.000 0.489 504 R N 0.445 120.631 120.500 -0.524 0.000 2.103 504 R HA -0.227 4.113 4.340 -0.000 0.000 0.242 504 R C 2.090 178.101 176.300 -0.482 0.000 1.142 504 R CA 2.199 57.972 56.100 -0.545 0.000 0.960 504 R CB -1.377 28.674 30.300 -0.416 0.000 0.858 504 R HN 0.437 nan 8.270 nan 0.000 0.439 505 c N 0.344 118.688 118.600 -0.427 0.000 2.435 505 c HA -0.015 4.555 4.570 -0.000 0.000 0.279 505 c C 2.523 176.381 174.090 -0.387 0.000 1.321 505 c CA 0.709 56.816 56.329 -0.370 0.000 1.752 505 c CB -0.644 41.643 42.510 -0.372 0.000 1.959 505 c HN 0.551 nan 8.230 nan 0.000 0.500 506 E N 1.137 121.054 120.200 -0.472 0.000 2.106 506 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 506 E C 1.999 178.297 176.600 -0.502 0.000 0.984 506 E CA 1.089 57.231 56.400 -0.430 0.000 0.806 506 E CB -0.425 29.069 29.700 -0.343 0.000 0.750 506 E HN 0.571 nan 8.360 nan 0.000 0.458 507 L N -0.281 120.525 121.223 -0.696 0.000 2.046 507 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 507 L C 2.253 178.909 176.870 -0.356 0.000 1.077 507 L CA 0.694 55.152 54.840 -0.637 0.000 0.747 507 L CB -0.413 41.183 42.059 -0.771 0.000 0.896 507 L HN 0.220 nan 8.230 nan 0.000 0.432 508 L N -0.402 120.655 121.223 -0.275 0.000 2.046 508 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 508 L C 2.710 179.530 176.870 -0.083 0.000 1.077 508 L CA 1.586 56.378 54.840 -0.081 0.000 0.747 508 L CB -0.647 41.387 42.059 -0.042 0.000 0.896 508 L HN 0.148 nan 8.230 nan 0.000 0.432 509 R N -0.418 119.980 120.500 -0.171 0.000 2.152 509 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 509 R C 1.920 178.123 176.300 -0.162 0.000 1.117 509 R CA 1.019 57.024 56.100 -0.159 0.000 0.981 509 R CB 0.004 30.196 30.300 -0.178 0.000 0.870 509 R HN 0.305 nan 8.270 nan 0.000 0.451 510 R N -1.218 119.155 120.500 -0.211 0.000 2.310 510 R HA 0.083 4.423 4.340 -0.000 0.000 0.202 510 R C 0.943 177.175 176.300 -0.112 0.000 0.933 510 R CA 0.615 56.589 56.100 -0.210 0.000 1.054 510 R CB 0.739 30.815 30.300 -0.372 0.000 0.985 510 R HN 0.511 nan 8.270 nan 0.000 0.489 511 G N 0.434 109.196 108.800 -0.063 0.000 2.284 511 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 511 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 511 G C 0.340 175.324 174.900 0.139 0.000 1.009 511 G CA -0.129 44.984 45.100 0.022 0.000 0.625 511 G HN 0.105 nan 8.290 nan 0.000 0.501 512 V N 1.582 121.502 119.914 0.010 0.000 2.928 512 V HA 0.165 4.285 4.120 -0.000 0.000 0.307 512 V C 1.442 177.496 176.094 -0.065 0.000 1.105 512 V CA 1.475 63.742 62.300 -0.054 0.000 1.223 512 V CB 1.538 33.227 31.823 -0.223 0.000 0.930 512 V HN 0.482 nan 8.190 nan 0.000 0.499 513 Q N 1.865 121.546 119.800 -0.197 0.000 2.211 513 Q HA 0.353 4.693 4.340 -0.000 0.000 0.231 513 Q C 0.636 176.397 176.000 -0.398 0.000 0.865 513 Q CA -0.251 55.197 55.803 -0.592 0.000 0.997 513 Q CB 0.350 28.799 28.738 -0.482 0.000 1.101 513 Q HN 0.953 nan 8.270 nan 0.000 0.468 514 A N 1.343 124.024 122.820 -0.231 0.000 2.555 514 A HA -0.015 4.305 4.320 -0.000 0.000 0.233 514 A C 0.362 177.833 177.584 -0.188 0.000 1.060 514 A CA -0.031 51.925 52.037 -0.135 0.000 0.759 514 A CB 0.187 19.110 19.000 -0.130 0.000 0.995 514 A HN 0.581 nan 8.150 nan 0.000 0.506 515 Q N 2.206 121.928 119.800 -0.129 0.000 2.237 515 Q HA 0.625 4.965 4.340 -0.000 0.000 0.219 515 Q C -2.564 173.372 176.000 -0.107 0.000 0.999 515 Q CA -1.917 53.818 55.803 -0.115 0.000 0.959 515 Q CB 0.495 29.188 28.738 -0.075 0.000 1.173 515 Q HN 0.522 nan 8.270 nan 0.000 0.527 516 P HA 0.091 nan 4.420 nan 0.000 0.276 516 P C 0.134 177.414 177.300 -0.034 0.000 1.252 516 P CA -0.307 62.758 63.100 -0.059 0.000 0.802 516 P CB 0.999 32.693 31.700 -0.011 0.000 1.035 517 L N -0.222 120.990 121.223 -0.019 0.000 2.307 517 L HA 0.173 4.513 4.340 -0.000 0.000 0.211 517 L C 1.437 178.451 176.870 0.241 0.000 1.099 517 L CA 0.949 55.851 54.840 0.103 0.000 0.816 517 L CB -0.260 41.827 42.059 0.047 0.000 0.952 517 L HN 0.592 nan 8.230 nan 0.000 0.455 518 N N -2.097 116.719 118.700 0.193 0.000 3.427 518 N HA 0.147 4.887 4.740 -0.000 0.000 0.313 518 N C -1.028 174.558 175.510 0.126 0.000 1.491 518 N CA -0.613 52.534 53.050 0.161 0.000 0.870 518 N CB 1.235 39.846 38.487 0.207 0.000 1.763 518 N HN -0.191 nan 8.380 nan 0.000 0.502 519 V N -0.132 119.845 119.914 0.105 0.000 2.843 519 V HA 0.576 4.695 4.120 -0.000 0.000 0.305 519 V C 0.949 177.130 176.094 0.146 0.000 1.120 519 V CA 0.941 63.301 62.300 0.099 0.000 1.254 519 V CB -0.263 31.604 31.823 0.074 0.000 0.901 519 V HN 0.982 nan 8.190 nan 0.000 0.503 520 G N 3.094 111.986 108.800 0.153 0.000 2.334 520 G HA2 0.519 4.479 3.960 -0.000 0.000 0.249 520 G HA3 0.519 4.479 3.960 -0.000 0.000 0.249 520 G C -1.141 173.972 174.900 0.355 0.000 1.327 520 G CA -0.115 45.141 45.100 0.261 0.000 0.979 520 G HN 2.337 nan 8.290 nan 0.000 0.471 521 F N -1.844 118.106 119.950 0.001 0.000 2.769 521 F HA 0.725 5.252 4.527 -0.000 0.000 0.313 521 F C -0.940 174.840 175.800 -0.032 0.000 1.146 521 F CA -2.029 55.964 58.000 -0.012 0.000 0.934 521 F CB 0.436 39.434 39.000 -0.003 0.000 1.283 521 F HN 0.807 nan 8.300 nan 0.000 0.443 522 c N 2.671 121.134 118.600 -0.229 0.000 2.382 522 c HA 0.443 5.013 4.570 -0.000 0.000 0.327 522 c C 1.625 175.540 174.090 -0.292 0.000 1.250 522 c CA -0.390 55.712 56.329 -0.378 0.000 1.707 522 c CB 1.330 43.711 42.510 -0.215 0.000 2.272 522 c HN 0.954 nan 8.230 nan 0.000 0.506 523 E N 1.565 121.547 120.200 -0.363 0.000 2.171 523 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 523 E C 1.097 177.670 176.600 -0.044 0.000 0.997 523 E CA 1.386 57.707 56.400 -0.132 0.000 0.810 523 E CB 0.115 29.744 29.700 -0.119 0.000 0.738 523 E HN 0.801 nan 8.360 nan 0.000 0.467 524 Q N 1.387 121.137 119.800 -0.083 0.000 2.636 524 Q HA 0.268 4.608 4.340 -0.000 0.000 0.233 524 Q C -0.764 175.211 176.000 -0.041 0.000 1.143 524 Q CA -0.393 55.374 55.803 -0.059 0.000 0.969 524 Q CB 0.656 29.346 28.738 -0.080 0.000 1.185 524 Q HN -0.191 nan 8.270 nan 0.000 0.546 525 E N 2.022 122.223 120.200 0.002 0.000 2.392 525 E HA 0.153 4.503 4.350 -0.000 0.000 0.264 525 E C -1.203 175.428 176.600 0.051 0.000 1.024 525 E CA -0.392 56.035 56.400 0.045 0.000 0.903 525 E CB 0.363 30.109 29.700 0.076 0.000 0.963 525 E HN 0.482 nan 8.360 nan 0.000 0.432 526 F N 3.983 123.905 119.950 -0.048 0.000 2.608 526 F HA 0.057 4.584 4.527 -0.000 0.000 0.380 526 F C 0.322 176.102 175.800 -0.034 0.000 1.083 526 F CA 0.645 58.614 58.000 -0.051 0.000 1.266 526 F CB 0.277 39.242 39.000 -0.057 0.000 1.076 526 F HN 0.424 nan 8.300 nan 0.000 0.574 527 E N 5.834 125.670 120.200 -0.606 0.000 2.347 527 E HA 0.358 4.708 4.350 -0.000 0.000 0.285 527 E C -1.747 174.517 176.600 -0.561 0.000 0.925 527 E CA -1.134 55.039 56.400 -0.378 0.000 0.779 527 E CB 2.050 31.645 29.700 -0.175 0.000 1.233 527 E HN 0.507 nan 8.360 nan 0.000 0.414 528 Q N 0.000 119.602 119.800 -0.331 0.000 2.315 528 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 528 Q CA 0.000 55.662 55.803 -0.236 0.000 1.022 528 Q CB 0.000 28.610 28.738 -0.214 0.000 1.108 528 Q HN 0.000 nan 8.270 nan 0.000 0.481