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 2bgh_1_B DATA FIRST_RESID 4 DATA SEQUENCE QMEKVSEELI LPSSPTPQSL KcYKISHLDQ LLLTCHIPFI LFYPNPLDSN DATA SEQUENCE LDPAQTSQHL KQSLSKVLTH FYPLAGRINV NSSVDcNDSG VPFVEARVQA DATA SEQUENCE QLSQAIQNVV ELEKLDQYLP SAAYPGGKIE VNEDVPLAVK ISFFECGGTA DATA SEQUENCE IGVNLSHKIA DVLSLATFLN AWTATCRGET EIVLPNFDLA ARHFPPVDNT DATA SEQUENCE PSPELVPDEN VVMKRFVFDK EKIGALRAQA SXXXXXXNFS RVQLVVAYIW DATA SEQUENCE KHVIDVTRAK YGAKNKFVVV QAVNLRSRMN PPLPHYAMGN IATLLFAAVD DATA SEQUENCE AEWDKDFPDL IGPLRTSLEK TEDDHNHELL KGMTCLYELE PQELLSFTSW DATA SEQUENCE CRLGFYDLDF GWGKPLSACT TTFPKRNAAL LMDTRSGDGV EAWLPMAEDE DATA SEQUENCE MAMLPVELLS LVDSDFSK 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.979 176.000 -0.036 0.000 1.003 4 Q CA 0.000 55.793 55.803 -0.016 0.000 1.022 4 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 5 M N 0.881 120.446 119.600 -0.058 0.000 2.662 5 M HA 0.796 5.275 4.480 -0.000 0.000 0.310 5 M C -0.516 175.755 176.300 -0.048 0.000 1.204 5 M CA -0.711 54.548 55.300 -0.067 0.000 0.891 5 M CB 2.366 34.903 32.600 -0.104 0.000 1.732 5 M HN 0.307 nan 8.290 nan 0.000 0.467 6 E N 0.728 120.907 120.200 -0.035 0.000 2.222 6 E HA 0.494 4.844 4.350 -0.000 0.000 0.267 6 E C -1.559 175.034 176.600 -0.013 0.000 0.884 6 E CA -1.180 55.207 56.400 -0.021 0.000 0.764 6 E CB 1.703 31.395 29.700 -0.013 0.000 1.169 6 E HN 0.649 nan 8.360 nan 0.000 0.413 7 K N 2.206 122.600 120.400 -0.009 0.000 2.350 7 K HA 0.113 4.432 4.320 -0.000 0.000 0.279 7 K C 0.895 177.504 176.600 0.015 0.000 1.027 7 K CA -0.158 56.131 56.287 0.003 0.000 0.969 7 K CB 1.585 34.086 32.500 0.000 0.000 0.954 7 K HN 0.555 nan 8.250 nan 0.000 0.474 8 V N -1.315 118.618 119.914 0.032 0.000 2.949 8 V HA 0.032 4.152 4.120 -0.000 0.000 0.245 8 V C 0.425 176.542 176.094 0.038 0.000 1.086 8 V CA 0.883 63.202 62.300 0.033 0.000 1.097 8 V CB -0.155 31.691 31.823 0.037 0.000 0.762 8 V HN 0.895 nan 8.190 nan 0.000 0.470 9 S N -1.104 114.629 115.700 0.055 0.000 2.627 9 S HA 0.587 5.057 4.470 -0.000 0.000 0.268 9 S C -1.471 173.175 174.600 0.076 0.000 1.130 9 S CA -0.871 57.365 58.200 0.060 0.000 0.819 9 S CB 1.872 65.114 63.200 0.069 0.000 1.100 9 S HN 0.483 nan 8.310 nan 0.000 0.465 10 E N 0.136 120.378 120.200 0.070 0.000 2.314 10 E HA 0.624 4.974 4.350 -0.000 0.000 0.272 10 E C -1.251 175.398 176.600 0.083 0.000 0.884 10 E CA -0.751 55.698 56.400 0.081 0.000 0.753 10 E CB 2.474 32.202 29.700 0.047 0.000 1.213 10 E HN 0.696 nan 8.360 nan 0.000 0.432 11 E N 1.497 121.764 120.200 0.113 0.000 2.433 11 E HA 0.468 4.818 4.350 -0.000 0.000 0.278 11 E C -1.072 175.576 176.600 0.081 0.000 0.976 11 E CA -0.779 55.668 56.400 0.079 0.000 0.793 11 E CB 2.200 31.940 29.700 0.067 0.000 1.311 11 E HN 0.231 nan 8.360 nan 0.000 0.460 12 L N 2.223 123.468 121.223 0.037 0.000 2.313 12 L HA 0.428 4.768 4.340 -0.000 0.000 0.283 12 L C -0.603 176.263 176.870 -0.005 0.000 1.013 12 L CA -0.994 53.860 54.840 0.024 0.000 0.816 12 L CB 0.970 43.034 42.059 0.008 0.000 1.236 12 L HN 0.315 nan 8.230 nan 0.000 0.419 13 I N 4.684 125.246 120.570 -0.014 0.000 2.325 13 I HA 0.313 4.483 4.170 -0.000 0.000 0.291 13 I C 0.224 176.314 176.117 -0.044 0.000 1.019 13 I CA -0.169 61.095 61.300 -0.060 0.000 1.302 13 I CB 0.838 38.772 38.000 -0.109 0.000 1.401 13 I HN 0.470 nan 8.210 nan 0.000 0.485 14 L N 7.791 128.990 121.223 -0.040 0.000 2.387 14 L HA 0.494 4.834 4.340 -0.000 0.000 0.266 14 L C -2.023 174.835 176.870 -0.020 0.000 1.059 14 L CA -1.818 53.007 54.840 -0.025 0.000 0.801 14 L CB 1.390 43.436 42.059 -0.022 0.000 1.223 14 L HN 0.358 nan 8.230 nan 0.000 0.456 15 P HA 0.037 nan 4.420 nan 0.000 0.271 15 P C 0.307 177.603 177.300 -0.008 0.000 1.218 15 P CA -0.281 62.824 63.100 0.009 0.000 0.780 15 P CB 0.974 32.691 31.700 0.029 0.000 0.901 16 S N 1.114 116.810 115.700 -0.006 0.000 2.387 16 S HA -0.083 4.387 4.470 -0.000 0.000 0.230 16 S C 0.893 175.480 174.600 -0.021 0.000 1.035 16 S CA 0.851 59.044 58.200 -0.013 0.000 1.014 16 S CB -0.654 62.544 63.200 -0.003 0.000 0.836 16 S HN 0.499 nan 8.310 nan 0.000 0.466 17 S N 2.918 118.599 115.700 -0.031 0.000 2.482 17 S HA 0.630 5.100 4.470 -0.000 0.000 0.303 17 S C -2.756 171.816 174.600 -0.046 0.000 1.091 17 S CA -1.285 56.891 58.200 -0.041 0.000 1.057 17 S CB 1.626 64.793 63.200 -0.054 0.000 1.031 17 S HN 0.200 nan 8.310 nan 0.000 0.485 18 P HA 0.189 nan 4.420 nan 0.000 0.272 18 P C -0.632 176.626 177.300 -0.070 0.000 1.223 18 P CA -0.311 62.763 63.100 -0.044 0.000 0.784 18 P CB 0.182 31.860 31.700 -0.036 0.000 0.923 19 T N 4.398 118.909 114.554 -0.071 0.000 2.799 19 T HA 0.184 4.534 4.350 -0.000 0.000 0.296 19 T C -2.089 172.535 174.700 -0.127 0.000 0.947 19 T CA -0.757 61.261 62.100 -0.136 0.000 1.141 19 T CB -0.638 68.166 68.868 -0.106 0.000 0.891 19 T HN 0.295 nan 8.240 nan 0.000 0.533 20 P HA -0.008 nan 4.420 nan 0.000 0.260 20 P C 1.283 178.527 177.300 -0.094 0.000 1.185 20 P CA -0.151 62.881 63.100 -0.113 0.000 0.763 20 P CB 0.483 32.108 31.700 -0.125 0.000 0.776 21 Q N 2.570 122.335 119.800 -0.059 0.000 2.388 21 Q HA -0.263 4.077 4.340 -0.000 0.000 0.216 21 Q C 0.631 176.610 176.000 -0.035 0.000 0.997 21 Q CA 2.629 58.409 55.803 -0.038 0.000 0.923 21 Q CB -1.100 27.621 28.738 -0.028 0.000 0.922 21 Q HN 0.478 nan 8.270 nan 0.000 0.435 22 S N -1.698 113.974 115.700 -0.047 0.000 2.846 22 S HA 0.285 4.755 4.470 -0.000 0.000 0.249 22 S C 1.207 175.780 174.600 -0.044 0.000 1.028 22 S CA -0.552 57.628 58.200 -0.034 0.000 1.043 22 S CB 0.050 63.233 63.200 -0.027 0.000 0.990 22 S HN 0.296 nan 8.310 nan 0.000 0.564 23 L N 1.221 122.390 121.223 -0.090 0.000 2.465 23 L HA 0.168 4.508 4.340 -0.000 0.000 0.224 23 L C -0.238 176.621 176.870 -0.018 0.000 1.145 23 L CA 0.778 55.540 54.840 -0.131 0.000 0.834 23 L CB -0.315 41.521 42.059 -0.371 0.000 0.944 23 L HN 0.356 nan 8.230 nan 0.000 0.451 24 K N -0.178 120.247 120.400 0.040 0.000 6.165 24 K HA -0.151 4.169 4.320 -0.000 0.000 0.850 24 K C -0.568 176.156 176.600 0.206 0.000 2.178 24 K CA 0.215 56.562 56.287 0.100 0.000 1.624 24 K CB -1.683 30.864 32.500 0.078 0.000 2.431 24 K HN 0.197 nan 8.250 nan 0.000 0.245 25 c N 3.232 121.917 118.600 0.141 0.000 2.480 25 c HA 0.299 4.869 4.570 -0.000 0.000 0.358 25 c C 0.819 174.923 174.090 0.022 0.000 1.309 25 c CA -0.577 55.805 56.329 0.089 0.000 2.465 25 c CB -0.009 42.533 42.510 0.053 0.000 2.379 25 c HN 0.676 nan 8.230 nan 0.000 0.642 26 Y N 3.107 123.280 120.300 -0.211 0.000 2.804 26 Y HA 0.112 4.661 4.550 -0.000 0.000 0.338 26 Y C 0.617 176.524 175.900 0.011 0.000 1.252 26 Y CA 0.805 58.855 58.100 -0.084 0.000 1.576 26 Y CB 0.085 38.466 38.460 -0.132 0.000 1.223 26 Y HN 0.531 nan 8.280 nan 0.000 0.536 27 K N 7.625 127.714 120.400 -0.517 0.000 2.234 27 K HA 0.242 4.562 4.320 -0.000 0.000 0.282 27 K C -0.568 175.643 176.600 -0.648 0.000 1.039 27 K CA -0.700 55.339 56.287 -0.414 0.000 0.928 27 K CB 1.025 33.393 32.500 -0.219 0.000 1.039 27 K HN 0.574 nan 8.250 nan 0.000 0.470 28 I N 2.999 123.414 120.570 -0.257 0.000 2.533 28 I HA -0.061 4.109 4.170 -0.000 0.000 0.284 28 I C 1.276 177.390 176.117 -0.004 0.000 1.109 28 I CA 0.475 61.740 61.300 -0.059 0.000 1.412 28 I CB 0.477 38.520 38.000 0.072 0.000 1.396 28 I HN 0.695 nan 8.210 nan 0.000 0.543 29 S N 6.040 121.789 115.700 0.082 0.000 2.669 29 S HA 0.163 4.632 4.470 -0.000 0.000 0.270 29 S C 1.395 176.117 174.600 0.203 0.000 1.225 29 S CA -0.251 58.053 58.200 0.174 0.000 0.991 29 S CB 1.047 64.416 63.200 0.282 0.000 0.987 29 S HN 0.719 nan 8.310 nan 0.000 0.552 30 H N 0.774 119.930 119.070 0.142 0.000 2.319 30 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 30 H C 1.678 177.034 175.328 0.048 0.000 1.092 30 H CA 2.289 58.398 56.048 0.101 0.000 1.302 30 H CB -0.210 29.634 29.762 0.137 0.000 1.373 30 H HN 0.617 nan 8.280 nan 0.000 0.497 31 L N 0.542 121.746 121.223 -0.032 0.000 2.012 31 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 31 L C 2.356 179.177 176.870 -0.081 0.000 1.073 31 L CA 1.420 56.161 54.840 -0.165 0.000 0.748 31 L CB -0.580 41.311 42.059 -0.280 0.000 0.891 31 L HN 0.281 nan 8.230 nan 0.000 0.431 32 D N 0.003 120.417 120.400 0.022 0.000 2.133 32 D HA -0.224 4.415 4.640 -0.000 0.000 0.195 32 D C 2.293 178.612 176.300 0.032 0.000 0.997 32 D CA 1.256 55.299 54.000 0.073 0.000 0.840 32 D CB -0.257 40.649 40.800 0.176 0.000 0.947 32 D HN 0.458 nan 8.370 nan 0.000 0.452 33 Q N -0.116 119.690 119.800 0.010 0.000 2.135 33 Q HA -0.065 4.275 4.340 -0.000 0.000 0.204 33 Q C 2.345 178.314 176.000 -0.052 0.000 0.981 33 Q CA 0.674 56.475 55.803 -0.003 0.000 0.856 33 Q CB -0.062 28.687 28.738 0.019 0.000 0.902 33 Q HN 0.350 nan 8.270 nan 0.000 0.425 34 L N 0.143 121.293 121.223 -0.122 0.000 2.478 34 L HA 0.010 4.350 4.340 -0.000 0.000 0.223 34 L C 0.764 177.588 176.870 -0.077 0.000 1.140 34 L CA -0.038 54.729 54.840 -0.121 0.000 0.842 34 L CB -0.038 41.910 42.059 -0.185 0.000 0.953 34 L HN 0.139 nan 8.230 nan 0.000 0.452 35 L N -0.514 120.673 121.223 -0.061 0.000 2.431 35 L HA 0.318 4.658 4.340 -0.000 0.000 0.260 35 L C 0.063 176.911 176.870 -0.038 0.000 1.098 35 L CA -0.468 54.327 54.840 -0.075 0.000 0.800 35 L CB 1.081 43.084 42.059 -0.092 0.000 1.210 35 L HN -0.099 nan 8.230 nan 0.000 0.465 36 L N -0.496 120.697 121.223 -0.049 0.000 2.453 36 L HA 0.227 4.567 4.340 -0.000 0.000 0.261 36 L C 1.157 178.049 176.870 0.036 0.000 1.179 36 L CA -0.286 54.558 54.840 0.006 0.000 0.813 36 L CB 0.288 42.374 42.059 0.044 0.000 1.110 36 L HN 0.712 nan 8.230 nan 0.000 0.466 37 T N -3.379 111.186 114.554 0.017 0.000 3.219 37 T HA 0.136 4.486 4.350 -0.000 0.000 0.249 37 T C 0.593 175.233 174.700 -0.100 0.000 1.099 37 T CA -0.472 61.622 62.100 -0.010 0.000 0.988 37 T CB -0.620 68.235 68.868 -0.022 0.000 0.999 37 T HN 0.468 nan 8.240 nan 0.000 0.550 38 C N 2.114 121.400 119.300 -0.023 0.000 2.705 38 C HA 0.349 4.809 4.460 -0.000 0.000 0.382 38 C C 0.954 175.887 174.990 -0.095 0.000 1.322 38 C CA -0.652 58.324 59.018 -0.070 0.000 2.290 38 C CB -0.318 27.555 27.740 0.222 0.000 2.650 38 C HN 0.632 nan 8.230 nan 0.000 0.695 39 H N -0.314 118.742 119.070 -0.023 0.000 2.496 39 H HA 0.456 5.011 4.556 -0.000 0.000 0.342 39 H C -0.253 175.061 175.328 -0.022 0.000 1.170 39 H CA -0.701 55.323 56.048 -0.040 0.000 1.274 39 H CB 0.632 30.332 29.762 -0.104 0.000 1.538 39 H HN 0.463 nan 8.280 nan 0.000 0.542 40 I N 4.444 125.091 120.570 0.128 0.000 2.363 40 I HA 0.121 4.291 4.170 -0.000 0.000 0.292 40 I C -2.216 173.975 176.117 0.123 0.000 1.075 40 I CA -1.751 59.613 61.300 0.107 0.000 1.333 40 I CB 0.398 38.330 38.000 -0.114 0.000 1.415 40 I HN 0.292 nan 8.210 nan 0.000 0.502 41 P HA 0.329 nan 4.420 nan 0.000 0.296 41 P C -1.142 176.345 177.300 0.312 0.000 1.306 41 P CA -0.377 62.815 63.100 0.153 0.000 0.818 41 P CB 1.044 32.784 31.700 0.067 0.000 0.969 42 F N 3.868 123.827 119.950 0.015 0.000 2.561 42 F HA 0.637 5.164 4.527 -0.000 0.000 0.313 42 F C -1.365 174.360 175.800 -0.126 0.000 1.126 42 F CA -0.934 57.049 58.000 -0.029 0.000 0.918 42 F CB 1.405 40.314 39.000 -0.152 0.000 1.199 42 F HN 0.116 nan 8.300 nan 0.000 0.444 43 I N 6.665 126.727 120.570 -0.847 0.000 2.569 43 I HA 0.337 4.507 4.170 -0.000 0.000 0.290 43 I C -1.574 173.881 176.117 -1.103 0.000 1.088 43 I CA -0.935 59.864 61.300 -0.836 0.000 1.047 43 I CB 1.908 39.525 38.000 -0.637 0.000 1.237 43 I HN 0.320 nan 8.210 nan 0.000 0.421 44 L N 6.169 126.823 121.223 -0.947 0.000 2.322 44 L HA 0.541 4.880 4.340 -0.000 0.000 0.281 44 L C -0.815 175.585 176.870 -0.784 0.000 1.014 44 L CA -0.443 53.917 54.840 -0.799 0.000 0.815 44 L CB 1.035 42.767 42.059 -0.546 0.000 1.247 44 L HN 0.322 nan 8.230 nan 0.000 0.421 45 F N 3.154 122.833 119.950 -0.452 0.000 2.426 45 F HA 0.479 5.006 4.527 -0.000 0.000 0.348 45 F C -0.391 175.180 175.800 -0.381 0.000 1.124 45 F CA -0.563 57.234 58.000 -0.338 0.000 1.008 45 F CB 1.135 39.945 39.000 -0.316 0.000 1.139 45 F HN 0.264 nan 8.300 nan 0.000 0.452 46 Y N 4.093 124.432 120.300 0.064 0.000 2.360 46 Y HA 0.423 4.972 4.550 -0.000 0.000 0.337 46 Y C -2.039 173.900 175.900 0.066 0.000 1.039 46 Y CA -2.371 55.779 58.100 0.083 0.000 1.109 46 Y CB 1.152 39.705 38.460 0.155 0.000 1.201 46 Y HN 0.361 nan 8.280 nan 0.000 0.458 47 P HA -0.036 nan 4.420 nan 0.000 0.277 47 P C -0.679 176.725 177.300 0.173 0.000 1.276 47 P CA -0.509 62.661 63.100 0.116 0.000 0.788 47 P CB 0.732 32.485 31.700 0.088 0.000 1.114 48 N N 1.198 119.966 118.700 0.114 0.000 2.452 48 N HA 0.076 4.816 4.740 -0.000 0.000 0.266 48 N C -1.909 173.681 175.510 0.133 0.000 1.175 48 N CA -1.048 52.073 53.050 0.119 0.000 0.945 48 N CB -0.185 38.351 38.487 0.082 0.000 1.063 48 N HN 0.166 nan 8.380 nan 0.000 0.472 49 P HA -0.043 nan 4.420 nan 0.000 0.261 49 P C 0.920 178.284 177.300 0.106 0.000 1.183 49 P CA 0.123 63.328 63.100 0.175 0.000 0.761 49 P CB 0.413 32.231 31.700 0.198 0.000 0.785 50 L N 1.210 122.489 121.223 0.095 0.000 2.450 50 L HA -0.128 4.212 4.340 -0.000 0.000 0.224 50 L C 0.890 177.792 176.870 0.054 0.000 1.149 50 L CA 1.478 56.357 54.840 0.065 0.000 0.816 50 L CB -1.136 40.958 42.059 0.057 0.000 0.932 50 L HN 0.287 nan 8.230 nan 0.000 0.449 51 D N -1.208 119.229 120.400 0.062 0.000 3.106 51 D HA 0.085 4.725 4.640 -0.000 0.000 0.216 51 D C 0.699 177.025 176.300 0.042 0.000 1.540 51 D CA 0.228 54.258 54.000 0.050 0.000 1.389 51 D CB -0.425 40.409 40.800 0.055 0.000 1.080 51 D HN 0.184 nan 8.370 nan 0.000 0.270 52 S N -0.253 115.478 115.700 0.052 0.000 2.572 52 S HA 0.137 4.607 4.470 -0.000 0.000 0.267 52 S C 0.300 174.900 174.600 0.001 0.000 1.361 52 S CA -0.362 57.855 58.200 0.028 0.000 1.009 52 S CB 0.591 63.816 63.200 0.041 0.000 0.888 52 S HN 0.334 nan 8.310 nan 0.000 0.553 53 N N -0.692 117.995 118.700 -0.022 0.000 2.305 53 N HA 0.273 5.013 4.740 -0.000 0.000 0.248 53 N C -1.105 174.367 175.510 -0.063 0.000 1.290 53 N CA -0.230 52.800 53.050 -0.034 0.000 0.873 53 N CB -0.244 38.233 38.487 -0.016 0.000 1.261 53 N HN 0.472 nan 8.380 nan 0.000 0.504 54 L N 1.962 123.124 121.223 -0.102 0.000 2.559 54 L HA -0.002 4.338 4.340 -0.000 0.000 0.282 54 L C 0.598 177.384 176.870 -0.139 0.000 1.232 54 L CA 0.512 55.272 54.840 -0.134 0.000 0.885 54 L CB 0.043 41.968 42.059 -0.222 0.000 1.131 54 L HN 0.334 nan 8.230 nan 0.000 0.498 55 D N 4.166 124.491 120.400 -0.124 0.000 2.383 55 D HA 0.252 4.892 4.640 -0.000 0.000 0.248 55 D C -1.893 174.262 176.300 -0.241 0.000 1.170 55 D CA -1.678 52.231 54.000 -0.151 0.000 0.977 55 D CB -0.067 40.656 40.800 -0.128 0.000 1.120 55 D HN 0.216 nan 8.370 nan 0.000 0.481 56 P HA -0.307 nan 4.420 nan 0.000 0.219 56 P C 1.258 178.256 177.300 -0.504 0.000 1.158 56 P CA 2.918 65.447 63.100 -0.952 0.000 0.895 56 P CB -0.201 30.838 31.700 -1.101 0.000 0.792 57 A N -0.831 121.815 122.820 -0.290 0.000 1.858 57 A HA -0.279 4.041 4.320 -0.000 0.000 0.216 57 A C 2.318 179.867 177.584 -0.059 0.000 1.190 57 A CA 2.132 54.083 52.037 -0.144 0.000 0.617 57 A CB -1.449 17.488 19.000 -0.105 0.000 0.827 57 A HN 0.199 nan 8.150 nan 0.000 0.443 58 Q N -0.828 118.944 119.800 -0.046 0.000 2.084 58 Q HA -0.099 4.240 4.340 -0.000 0.000 0.202 58 Q C 2.250 178.317 176.000 0.112 0.000 0.978 58 Q CA 2.069 57.907 55.803 0.057 0.000 0.844 58 Q CB -0.472 28.290 28.738 0.041 0.000 0.898 58 Q HN 0.696 nan 8.270 nan 0.000 0.426 59 T N 0.335 114.857 114.554 -0.055 0.000 2.607 59 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 59 T C 2.051 176.824 174.700 0.122 0.000 1.049 59 T CA 1.659 63.696 62.100 -0.105 0.000 1.162 59 T CB -0.499 68.280 68.868 -0.148 0.000 0.863 59 T HN 0.230 nan 8.240 nan 0.000 0.424 60 S N 1.168 116.988 115.700 0.200 0.000 2.365 60 S HA -0.245 4.225 4.470 -0.000 0.000 0.225 60 S C 2.163 176.833 174.600 0.117 0.000 1.039 60 S CA 1.679 60.023 58.200 0.240 0.000 1.033 60 S CB -0.511 62.817 63.200 0.214 0.000 0.887 60 S HN 0.595 nan 8.310 nan 0.000 0.447 61 Q N 0.504 120.348 119.800 0.073 0.000 2.061 61 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 61 Q C 1.990 178.002 176.000 0.021 0.000 0.984 61 Q CA 1.534 57.341 55.803 0.007 0.000 0.846 61 Q CB -0.210 28.513 28.738 -0.026 0.000 0.902 61 Q HN 0.685 nan 8.270 nan 0.000 0.421 62 H N 0.088 119.195 119.070 0.061 0.000 2.353 62 H HA -0.107 4.449 4.556 -0.000 0.000 0.300 62 H C 2.301 177.748 175.328 0.198 0.000 1.090 62 H CA 1.467 57.590 56.048 0.125 0.000 1.327 62 H CB 0.030 29.884 29.762 0.153 0.000 1.383 62 H HN 0.316 nan 8.280 nan 0.000 0.508 63 L N 0.768 122.188 121.223 0.328 0.000 1.989 63 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 63 L C 2.609 179.679 176.870 0.333 0.000 1.071 63 L CA 1.502 56.580 54.840 0.397 0.000 0.749 63 L CB -0.325 41.982 42.059 0.414 0.000 0.890 63 L HN 0.210 nan 8.230 nan 0.000 0.431 64 K N -0.403 120.002 120.400 0.009 0.000 2.062 64 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 64 K C 2.144 178.693 176.600 -0.085 0.000 1.051 64 K CA 1.166 57.313 56.287 -0.233 0.000 0.941 64 K CB -0.142 32.112 32.500 -0.411 0.000 0.719 64 K HN 0.378 nan 8.250 nan 0.000 0.440 65 Q N 0.459 120.246 119.800 -0.022 0.000 2.124 65 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 65 Q C 2.243 178.284 176.000 0.068 0.000 0.977 65 Q CA 1.992 57.792 55.803 -0.004 0.000 0.850 65 Q CB -0.022 28.695 28.738 -0.037 0.000 0.901 65 Q HN 0.348 nan 8.270 nan 0.000 0.429 66 S N 0.197 116.004 115.700 0.178 0.000 2.414 66 S HA -0.045 4.425 4.470 -0.000 0.000 0.227 66 S C 1.880 176.626 174.600 0.243 0.000 1.022 66 S CA 0.226 58.594 58.200 0.280 0.000 0.958 66 S CB -0.312 63.152 63.200 0.440 0.000 0.797 66 S HN 0.320 nan 8.310 nan 0.000 0.493 67 L N 1.376 122.672 121.223 0.121 0.000 2.046 67 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 67 L C 2.848 179.653 176.870 -0.109 0.000 1.077 67 L CA 1.843 56.516 54.840 -0.277 0.000 0.747 67 L CB -0.727 41.092 42.059 -0.400 0.000 0.896 67 L HN 0.529 nan 8.230 nan 0.000 0.432 68 S N -0.456 115.216 115.700 -0.046 0.000 2.383 68 S HA -0.249 4.221 4.470 -0.000 0.000 0.227 68 S C 2.020 176.635 174.600 0.026 0.000 1.026 68 S CA 1.612 59.798 58.200 -0.024 0.000 0.981 68 S CB -0.055 63.123 63.200 -0.036 0.000 0.818 68 S HN 0.382 nan 8.310 nan 0.000 0.472 69 K N 0.242 120.677 120.400 0.059 0.000 2.057 69 K HA 0.005 4.324 4.320 -0.000 0.000 0.206 69 K C 1.961 178.654 176.600 0.155 0.000 1.050 69 K CA 1.419 57.763 56.287 0.095 0.000 0.935 69 K CB -0.410 32.161 32.500 0.118 0.000 0.715 69 K HN 0.279 nan 8.250 nan 0.000 0.439 70 V N 1.105 121.128 119.914 0.182 0.000 2.719 70 V HA -0.081 4.039 4.120 -0.000 0.000 0.252 70 V C 1.797 178.113 176.094 0.369 0.000 1.065 70 V CA 1.082 63.559 62.300 0.294 0.000 1.086 70 V CB -0.162 31.767 31.823 0.178 0.000 0.700 70 V HN 0.333 nan 8.190 nan 0.000 0.467 71 L N -0.013 121.339 121.223 0.215 0.000 2.353 71 L HA -0.137 4.203 4.340 -0.000 0.000 0.220 71 L C 2.387 179.396 176.870 0.231 0.000 1.133 71 L CA 1.725 56.699 54.840 0.225 0.000 0.798 71 L CB -0.788 41.322 42.059 0.085 0.000 0.922 71 L HN 0.371 nan 8.230 nan 0.000 0.445 72 T N -2.090 112.546 114.554 0.136 0.000 2.867 72 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 72 T C 1.538 176.247 174.700 0.014 0.000 1.057 72 T CA 1.352 63.451 62.100 -0.003 0.000 1.136 72 T CB -0.215 68.554 68.868 -0.164 0.000 0.874 72 T HN 0.494 nan 8.240 nan 0.000 0.466 73 H N -0.922 118.361 119.070 0.354 0.000 2.497 73 H HA 0.266 4.822 4.556 -0.000 0.000 0.282 73 H C 0.545 176.073 175.328 0.334 0.000 1.003 73 H CA 0.529 56.788 56.048 0.352 0.000 1.307 73 H CB 0.074 30.020 29.762 0.307 0.000 1.437 73 H HN 0.300 nan 8.280 nan 0.000 0.544 74 F N 1.198 121.378 119.950 0.384 0.000 2.925 74 F HA 0.091 4.618 4.527 -0.000 0.000 0.302 74 F C 0.608 176.387 175.800 -0.035 0.000 1.189 74 F CA -0.741 57.420 58.000 0.268 0.000 1.346 74 F CB -0.150 39.029 39.000 0.299 0.000 0.954 74 F HN 0.248 nan 8.300 nan 0.000 0.506 75 Y N -0.638 119.690 120.300 0.046 0.000 2.193 75 Y HA -0.078 4.472 4.550 -0.000 0.000 0.285 75 Y C -1.208 174.608 175.900 -0.140 0.000 1.166 75 Y CA 0.490 58.559 58.100 -0.052 0.000 1.181 75 Y CB -2.511 35.905 38.460 -0.073 0.000 0.976 75 Y HN 0.045 nan 8.280 nan 0.000 0.520 76 P HA -0.138 nan 4.420 nan 0.000 0.221 76 P C 1.271 178.402 177.300 -0.281 0.000 1.145 76 P CA 1.454 64.225 63.100 -0.549 0.000 0.795 76 P CB -0.142 31.011 31.700 -0.911 0.000 0.775 77 L N -1.770 119.325 121.223 -0.215 0.000 2.551 77 L HA 0.015 4.355 4.340 -0.000 0.000 0.228 77 L C 1.913 178.704 176.870 -0.131 0.000 1.153 77 L CA 0.717 55.458 54.840 -0.166 0.000 0.851 77 L CB -0.648 41.296 42.059 -0.192 0.000 0.959 77 L HN -0.023 nan 8.230 nan 0.000 0.451 78 A N -0.329 122.442 122.820 -0.082 0.000 2.348 78 A HA 0.392 4.712 4.320 -0.000 0.000 0.224 78 A C 1.308 178.871 177.584 -0.035 0.000 1.227 78 A CA 0.315 52.322 52.037 -0.049 0.000 0.885 78 A CB -0.220 18.771 19.000 -0.015 0.000 0.933 78 A HN 0.313 nan 8.150 nan 0.000 0.506 79 G N -0.262 108.510 108.800 -0.047 0.000 2.494 79 G HA2 0.493 4.453 3.960 -0.000 0.000 0.270 79 G HA3 0.493 4.453 3.960 -0.000 0.000 0.270 79 G C -0.146 174.740 174.900 -0.023 0.000 1.423 79 G CA -0.571 44.513 45.100 -0.027 0.000 1.055 79 G HN 0.236 nan 8.290 nan 0.000 0.536 80 R N -1.027 119.468 120.500 -0.008 0.000 2.686 80 R HA 0.372 4.712 4.340 -0.000 0.000 0.283 80 R C -0.841 175.468 176.300 0.015 0.000 0.978 80 R CA -0.683 55.419 56.100 0.002 0.000 0.897 80 R CB 1.879 32.183 30.300 0.007 0.000 1.192 80 R HN 0.420 nan 8.270 nan 0.000 0.457 81 I N 1.577 122.161 120.570 0.025 0.000 2.474 81 I HA 0.153 4.323 4.170 -0.000 0.000 0.287 81 I C 0.854 176.993 176.117 0.037 0.000 1.048 81 I CA -0.001 61.323 61.300 0.040 0.000 1.383 81 I CB 0.595 38.627 38.000 0.052 0.000 1.412 81 I HN 0.376 nan 8.210 nan 0.000 0.531 82 N N 5.942 124.667 118.700 0.040 0.000 2.621 82 N HA 0.254 4.994 4.740 -0.000 0.000 0.237 82 N C -0.802 174.731 175.510 0.038 0.000 0.997 82 N CA -0.536 52.534 53.050 0.033 0.000 0.918 82 N CB 0.994 39.497 38.487 0.028 0.000 1.122 82 N HN 0.319 nan 8.380 nan 0.000 0.510 83 V N 4.031 123.966 119.914 0.035 0.000 2.720 83 V HA -0.125 3.995 4.120 -0.000 0.000 0.307 83 V C 1.118 177.233 176.094 0.037 0.000 1.071 83 V CA 0.441 62.763 62.300 0.037 0.000 1.199 83 V CB 0.331 32.172 31.823 0.029 0.000 0.900 83 V HN 0.875 nan 8.190 nan 0.000 0.494 84 N N 1.638 120.364 118.700 0.043 0.000 2.853 84 N HA -0.247 4.493 4.740 -0.000 0.000 0.239 84 N C 1.296 176.837 175.510 0.052 0.000 0.967 84 N CA 1.933 55.011 53.050 0.048 0.000 0.973 84 N CB -0.946 37.566 38.487 0.040 0.000 1.104 84 N HN 0.970 nan 8.380 nan 0.000 0.602 85 S N -3.272 112.457 115.700 0.047 0.000 2.691 85 S HA 0.457 4.927 4.470 -0.000 0.000 0.241 85 S C 0.663 175.287 174.600 0.039 0.000 1.077 85 S CA 0.612 58.836 58.200 0.040 0.000 0.900 85 S CB 0.807 64.025 63.200 0.030 0.000 0.805 85 S HN 0.551 nan 8.310 nan 0.000 0.529 86 S N -0.322 115.406 115.700 0.047 0.000 2.703 86 S HA 0.686 5.156 4.470 -0.000 0.000 0.273 86 S C -1.712 172.928 174.600 0.067 0.000 1.178 86 S CA -0.801 57.428 58.200 0.049 0.000 0.838 86 S CB 1.303 64.518 63.200 0.025 0.000 1.178 86 S HN 0.383 nan 8.310 nan 0.000 0.494 87 V N 1.835 121.792 119.914 0.071 0.000 2.487 87 V HA 0.472 4.592 4.120 -0.000 0.000 0.298 87 V C -1.253 174.861 176.094 0.033 0.000 1.028 87 V CA -0.727 61.608 62.300 0.058 0.000 0.860 87 V CB 1.641 33.508 31.823 0.074 0.000 0.991 87 V HN 0.882 nan 8.190 nan 0.000 0.427 88 D N 2.525 122.939 120.400 0.023 0.000 2.317 88 D HA 0.149 4.789 4.640 -0.000 0.000 0.252 88 D C -0.013 176.297 176.300 0.017 0.000 1.174 88 D CA -0.135 53.877 54.000 0.020 0.000 0.866 88 D CB 1.467 42.276 40.800 0.015 0.000 1.127 88 D HN 0.507 nan 8.370 nan 0.000 0.467 89 c N 3.604 122.222 118.600 0.031 0.000 3.025 89 c HA 0.036 4.606 4.570 -0.000 0.000 0.547 89 c C 1.549 175.662 174.090 0.038 0.000 1.058 89 c CA -0.719 55.640 56.329 0.051 0.000 1.164 89 c CB -2.087 40.502 42.510 0.131 0.000 1.405 89 c HN 0.474 nan 8.230 nan 0.000 0.610 90 N N -0.223 118.489 118.700 0.019 0.000 2.268 90 N HA -0.005 4.735 4.740 -0.000 0.000 0.204 90 N C -0.075 175.439 175.510 0.007 0.000 1.124 90 N CA -0.005 53.052 53.050 0.011 0.000 0.838 90 N CB -0.432 38.059 38.487 0.006 0.000 0.994 90 N HN 0.385 nan 8.380 nan 0.000 0.489 91 D N -0.209 120.199 120.400 0.012 0.000 2.704 91 D HA -0.158 4.482 4.640 -0.000 0.000 0.232 91 D C 0.118 176.417 176.300 -0.002 0.000 1.183 91 D CA 0.779 54.783 54.000 0.007 0.000 0.647 91 D CB -1.471 39.332 40.800 0.004 0.000 1.013 91 D HN 0.344 nan 8.370 nan 0.000 0.415 92 S N -0.726 114.971 115.700 -0.004 0.000 2.402 92 S HA 0.236 4.706 4.470 -0.000 0.000 0.229 92 S C 1.401 175.995 174.600 -0.010 0.000 1.021 92 S CA 0.691 58.887 58.200 -0.006 0.000 0.974 92 S CB 0.314 63.511 63.200 -0.006 0.000 0.800 92 S HN 0.991 nan 8.310 nan 0.000 0.484 93 G N 0.428 109.218 108.800 -0.016 0.000 2.612 93 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.686 93 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.686 93 G C -0.655 174.228 174.900 -0.029 0.000 1.274 93 G CA -0.568 44.520 45.100 -0.021 0.000 0.849 93 G HN 0.993 nan 8.290 nan 0.000 0.595 94 V N -0.283 119.611 119.914 -0.033 0.000 2.370 94 V HA 0.753 4.872 4.120 -0.000 0.000 0.279 94 V C -1.992 174.113 176.094 0.018 0.000 1.029 94 V CA -2.044 60.234 62.300 -0.038 0.000 0.870 94 V CB 1.439 33.209 31.823 -0.087 0.000 0.984 94 V HN 0.676 nan 8.190 nan 0.000 0.451 95 P HA 0.109 nan 4.420 nan 0.000 0.261 95 P C -1.146 176.210 177.300 0.093 0.000 1.173 95 P CA 0.707 63.828 63.100 0.036 0.000 0.760 95 P CB -0.089 31.605 31.700 -0.011 0.000 0.783 96 F N 4.553 124.490 119.950 -0.023 0.000 2.659 96 F HA 0.347 4.874 4.527 -0.000 0.000 0.342 96 F C -0.993 174.818 175.800 0.018 0.000 1.168 96 F CA -0.793 57.206 58.000 -0.001 0.000 1.003 96 F CB 1.080 40.081 39.000 0.001 0.000 1.267 96 F HN -0.052 nan 8.300 nan 0.000 0.463 97 V N 4.859 124.671 119.914 -0.171 0.000 2.481 97 V HA 0.386 4.506 4.120 -0.000 0.000 0.286 97 V C -0.372 175.669 176.094 -0.088 0.000 1.042 97 V CA -0.558 61.703 62.300 -0.065 0.000 0.928 97 V CB 1.754 33.531 31.823 -0.078 0.000 0.986 97 V HN 0.656 nan 8.190 nan 0.000 0.462 98 E N 2.108 122.347 120.200 0.064 0.000 2.199 98 E HA 0.781 5.130 4.350 -0.000 0.000 0.269 98 E C -0.615 176.037 176.600 0.086 0.000 0.899 98 E CA -0.381 56.092 56.400 0.121 0.000 0.772 98 E CB 2.056 31.890 29.700 0.224 0.000 1.155 98 E HN 0.903 nan 8.360 nan 0.000 0.408 99 A N 3.319 126.197 122.820 0.097 0.000 2.556 99 A HA 0.698 5.018 4.320 -0.000 0.000 0.294 99 A C -1.103 176.536 177.584 0.092 0.000 1.091 99 A CA -0.741 51.331 52.037 0.058 0.000 0.704 99 A CB 1.706 20.706 19.000 -0.000 0.000 1.300 99 A HN 0.485 nan 8.150 nan 0.000 0.406 100 R N 0.370 120.893 120.500 0.038 0.000 2.562 100 R HA 0.577 4.916 4.340 -0.000 0.000 0.298 100 R C -1.207 175.056 176.300 -0.060 0.000 0.961 100 R CA -0.445 55.669 56.100 0.023 0.000 0.881 100 R CB 1.801 32.115 30.300 0.023 0.000 1.159 100 R HN 0.939 nan 8.270 nan 0.000 0.450 101 V N 1.788 121.613 119.914 -0.147 0.000 2.495 101 V HA 0.315 4.434 4.120 -0.000 0.000 0.298 101 V C -0.163 175.883 176.094 -0.080 0.000 1.031 101 V CA -0.677 61.519 62.300 -0.173 0.000 0.871 101 V CB 1.843 33.461 31.823 -0.341 0.000 0.988 101 V HN 0.772 nan 8.190 nan 0.000 0.432 102 Q N 3.411 123.197 119.800 -0.023 0.000 3.254 102 Q HA 0.624 4.964 4.340 -0.000 0.000 0.315 102 Q C -0.106 175.926 176.000 0.054 0.000 1.405 102 Q CA 0.423 56.237 55.803 0.018 0.000 0.966 102 Q CB 0.290 29.035 28.738 0.013 0.000 1.706 102 Q HN 1.174 nan 8.270 nan 0.000 0.525 103 A N 1.468 124.346 122.820 0.097 0.000 2.569 103 A HA 0.298 4.618 4.320 -0.000 0.000 0.292 103 A C -1.416 176.338 177.584 0.283 0.000 1.032 103 A CA -0.811 51.323 52.037 0.161 0.000 0.669 103 A CB 1.054 20.156 19.000 0.171 0.000 1.290 103 A HN 0.460 nan 8.150 nan 0.000 0.422 104 Q N 0.890 120.831 119.800 0.235 0.000 2.299 104 Q HA 0.272 4.612 4.340 -0.000 0.000 0.246 104 Q C 1.046 177.155 176.000 0.183 0.000 0.935 104 Q CA -0.724 55.215 55.803 0.226 0.000 0.887 104 Q CB 1.352 30.154 28.738 0.107 0.000 1.223 104 Q HN 0.740 nan 8.270 nan 0.000 0.439 105 L N 1.834 123.008 121.223 -0.082 0.000 2.013 105 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 105 L C 1.990 178.676 176.870 -0.307 0.000 1.073 105 L CA 2.391 56.855 54.840 -0.626 0.000 0.753 105 L CB -0.831 40.739 42.059 -0.814 0.000 0.890 105 L HN 0.765 nan 8.230 nan 0.000 0.432 106 S N -0.827 114.774 115.700 -0.165 0.000 2.370 106 S HA -0.289 4.180 4.470 -0.000 0.000 0.226 106 S C 1.914 176.480 174.600 -0.058 0.000 1.033 106 S CA 1.833 59.969 58.200 -0.108 0.000 1.011 106 S CB -0.111 63.052 63.200 -0.061 0.000 0.852 106 S HN 0.606 nan 8.310 nan 0.000 0.457 107 Q N 0.457 120.252 119.800 -0.009 0.000 2.119 107 Q HA 0.139 4.478 4.340 -0.000 0.000 0.201 107 Q C 2.064 178.094 176.000 0.050 0.000 0.972 107 Q CA 1.578 57.398 55.803 0.027 0.000 0.847 107 Q CB -0.521 28.249 28.738 0.055 0.000 0.903 107 Q HN 0.629 nan 8.270 nan 0.000 0.433 108 A N 0.229 123.099 122.820 0.083 0.000 1.968 108 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 108 A C 1.726 179.353 177.584 0.070 0.000 1.169 108 A CA 1.287 53.415 52.037 0.151 0.000 0.638 108 A CB -0.461 18.768 19.000 0.382 0.000 0.812 108 A HN 0.606 nan 8.150 nan 0.000 0.446 109 I N -3.036 117.502 120.570 -0.053 0.000 4.050 109 I HA 0.180 4.350 4.170 -0.000 0.000 0.327 109 I C 1.388 177.520 176.117 0.024 0.000 1.473 109 I CA 0.395 61.635 61.300 -0.100 0.000 1.124 109 I CB 0.122 37.801 38.000 -0.534 0.000 1.129 109 I HN 0.360 nan 8.210 nan 0.000 0.428 110 Q N 0.994 120.791 119.800 -0.006 0.000 2.424 110 Q HA 0.088 4.428 4.340 -0.000 0.000 0.204 110 Q C -0.078 175.902 176.000 -0.032 0.000 0.933 110 Q CA 0.424 56.211 55.803 -0.027 0.000 0.929 110 Q CB -0.011 28.702 28.738 -0.042 0.000 1.037 110 Q HN 0.454 nan 8.270 nan 0.000 0.511 111 N N 0.344 119.050 118.700 0.011 0.000 2.751 111 N HA 0.152 4.892 4.740 -0.000 0.000 0.234 111 N C -1.985 173.557 175.510 0.054 0.000 1.403 111 N CA -0.284 52.765 53.050 -0.001 0.000 0.747 111 N CB 1.693 40.167 38.487 -0.021 0.000 1.326 111 N HN -0.015 nan 8.380 nan 0.000 0.532 112 V N 2.854 122.844 119.914 0.128 0.000 2.338 112 V HA 0.115 4.235 4.120 -0.000 0.000 0.255 112 V C 1.602 177.764 176.094 0.114 0.000 1.082 112 V CA -0.298 62.110 62.300 0.180 0.000 0.951 112 V CB 0.598 32.626 31.823 0.341 0.000 1.102 112 V HN 0.335 nan 8.190 nan 0.000 0.489 113 V N 3.627 123.578 119.914 0.061 0.000 2.358 113 V HA -0.078 4.042 4.120 -0.000 0.000 0.246 113 V C 0.970 177.083 176.094 0.032 0.000 1.047 113 V CA 1.364 63.677 62.300 0.022 0.000 1.035 113 V CB -0.276 31.553 31.823 0.011 0.000 0.658 113 V HN 0.851 nan 8.190 nan 0.000 0.452 114 E N -0.150 120.086 120.200 0.060 0.000 2.145 114 E HA 0.380 4.730 4.350 -0.000 0.000 0.270 114 E C 0.371 177.039 176.600 0.113 0.000 0.906 114 E CA -0.215 56.228 56.400 0.071 0.000 0.761 114 E CB 1.597 31.333 29.700 0.061 0.000 1.116 114 E HN 0.188 nan 8.360 nan 0.000 0.408 115 L N 2.144 123.449 121.223 0.136 0.000 2.465 115 L HA -0.095 4.245 4.340 -0.000 0.000 0.224 115 L C 2.006 178.994 176.870 0.197 0.000 1.145 115 L CA 0.592 55.553 54.840 0.202 0.000 0.834 115 L CB -0.133 42.079 42.059 0.255 0.000 0.944 115 L HN 0.560 nan 8.230 nan 0.000 0.451 116 E N 1.252 121.543 120.200 0.153 0.000 2.153 116 E HA -0.202 4.147 4.350 -0.000 0.000 0.194 116 E C 1.793 178.460 176.600 0.112 0.000 0.988 116 E CA 1.226 57.707 56.400 0.134 0.000 0.811 116 E CB 0.025 29.785 29.700 0.101 0.000 0.746 116 E HN 0.259 nan 8.360 nan 0.000 0.466 117 K N -0.095 120.366 120.400 0.102 0.000 2.574 117 K HA -0.034 4.286 4.320 -0.000 0.000 0.193 117 K C 1.328 177.980 176.600 0.086 0.000 1.035 117 K CA 0.284 56.614 56.287 0.072 0.000 0.982 117 K CB -0.020 32.523 32.500 0.071 0.000 0.795 117 K HN 0.262 nan 8.250 nan 0.000 0.491 118 L N 0.289 121.611 121.223 0.165 0.000 2.418 118 L HA -0.086 4.254 4.340 -0.000 0.000 0.218 118 L C 1.422 178.389 176.870 0.162 0.000 1.125 118 L CA 0.296 55.303 54.840 0.278 0.000 0.835 118 L CB -0.218 42.022 42.059 0.301 0.000 0.953 118 L HN 0.090 nan 8.230 nan 0.000 0.454 119 D N 1.025 121.472 120.400 0.078 0.000 2.170 119 D HA -0.287 4.353 4.640 -0.000 0.000 0.193 119 D C 2.177 178.442 176.300 -0.058 0.000 1.004 119 D CA 1.823 55.841 54.000 0.030 0.000 0.860 119 D CB -0.135 40.683 40.800 0.030 0.000 0.931 119 D HN 0.583 nan 8.370 nan 0.000 0.448 120 Q N -0.471 119.215 119.800 -0.189 0.000 2.297 120 Q HA -0.189 4.151 4.340 -0.000 0.000 0.208 120 Q C 1.486 177.260 176.000 -0.376 0.000 0.981 120 Q CA 1.238 56.849 55.803 -0.320 0.000 0.876 120 Q CB -0.631 27.845 28.738 -0.436 0.000 0.921 120 Q HN 0.465 nan 8.270 nan 0.000 0.446 121 Y N 0.014 120.315 120.300 0.002 0.000 2.546 121 Y HA 0.136 4.686 4.550 -0.000 0.000 0.287 121 Y C 0.337 176.184 175.900 -0.088 0.000 1.158 121 Y CA -0.823 57.249 58.100 -0.046 0.000 1.307 121 Y CB 0.475 38.898 38.460 -0.061 0.000 1.036 121 Y HN 0.088 nan 8.280 nan 0.000 0.532 122 L N 2.394 123.635 121.223 0.031 0.000 2.371 122 L HA 0.151 4.490 4.340 -0.000 0.000 0.272 122 L C -1.258 175.588 176.870 -0.039 0.000 1.124 122 L CA -2.497 52.338 54.840 -0.009 0.000 0.816 122 L CB 0.621 42.679 42.059 -0.002 0.000 1.129 122 L HN -0.121 nan 8.230 nan 0.000 0.448 123 P HA -0.016 nan 4.420 nan 0.000 0.229 123 P C -0.413 176.858 177.300 -0.049 0.000 1.160 123 P CA 0.591 63.648 63.100 -0.073 0.000 0.777 123 P CB 0.480 32.119 31.700 -0.102 0.000 0.814 124 S N -2.085 113.594 115.700 -0.036 0.000 2.661 124 S HA 0.658 5.128 4.470 -0.000 0.000 0.268 124 S C -0.955 173.651 174.600 0.011 0.000 1.162 124 S CA -0.939 57.255 58.200 -0.009 0.000 0.817 124 S CB 0.829 64.027 63.200 -0.003 0.000 1.141 124 S HN 0.131 nan 8.310 nan 0.000 0.477 125 A N 0.053 122.892 122.820 0.031 0.000 2.409 125 A HA 0.725 5.045 4.320 -0.000 0.000 0.262 125 A C 1.125 178.729 177.584 0.033 0.000 1.113 125 A CA -0.077 51.975 52.037 0.025 0.000 0.790 125 A CB -0.101 18.913 19.000 0.025 0.000 1.046 125 A HN 1.564 nan 8.150 nan 0.000 0.496 126 A N 2.551 125.319 122.820 -0.086 0.000 1.984 126 A HA 0.408 4.728 4.320 -0.000 0.000 0.214 126 A C 0.387 177.678 177.584 -0.489 0.000 1.173 126 A CA 0.783 52.635 52.037 -0.309 0.000 0.673 126 A CB -0.034 18.607 19.000 -0.598 0.000 0.830 126 A HN 0.795 nan 8.150 nan 0.000 0.453 127 Y N -1.291 119.025 120.300 0.027 0.000 2.576 127 Y HA 0.517 5.067 4.550 -0.000 0.000 0.346 127 Y C -2.462 173.415 175.900 -0.037 0.000 1.018 127 Y CA -2.781 55.300 58.100 -0.032 0.000 1.050 127 Y CB 0.992 39.419 38.460 -0.055 0.000 1.280 127 Y HN -0.059 nan 8.280 nan 0.000 0.474 128 P HA 0.255 nan 4.420 nan 0.000 0.272 128 P C 0.507 177.833 177.300 0.043 0.000 1.240 128 P CA 0.752 63.879 63.100 0.045 0.000 0.791 128 P CB 0.631 32.336 31.700 0.009 0.000 0.978 129 G N -0.891 107.925 108.800 0.027 0.000 2.179 129 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.220 129 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.220 129 G C 0.510 175.428 174.900 0.029 0.000 0.990 129 G CA -0.167 44.946 45.100 0.022 0.000 0.646 129 G HN 0.896 nan 8.290 nan 0.000 0.517 130 G N -0.602 108.220 108.800 0.036 0.000 2.583 130 G HA2 0.559 4.518 3.960 -0.000 0.000 0.280 130 G HA3 0.559 4.518 3.960 -0.000 0.000 0.280 130 G C 0.808 175.720 174.900 0.020 0.000 1.376 130 G CA 0.392 45.511 45.100 0.031 0.000 1.043 130 G HN 0.190 nan 8.290 nan 0.000 0.538 131 K N -1.314 119.095 120.400 0.015 0.000 2.167 131 K HA 0.138 4.458 4.320 -0.000 0.000 0.203 131 K C 0.850 177.455 176.600 0.009 0.000 1.052 131 K CA 0.646 56.939 56.287 0.010 0.000 0.956 131 K CB 0.009 32.512 32.500 0.006 0.000 0.735 131 K HN 0.213 nan 8.250 nan 0.000 0.451 132 I N 2.081 122.658 120.570 0.011 0.000 2.377 132 I HA 0.154 4.324 4.170 -0.000 0.000 0.293 132 I C 0.108 176.233 176.117 0.015 0.000 0.987 132 I CA -0.771 60.535 61.300 0.011 0.000 1.185 132 I CB 1.251 39.257 38.000 0.009 0.000 1.341 132 I HN 0.131 nan 8.210 nan 0.000 0.455 133 E N 3.904 124.112 120.200 0.013 0.000 2.404 133 E HA 0.186 4.535 4.350 -0.000 0.000 0.261 133 E C -0.508 176.101 176.600 0.014 0.000 1.074 133 E CA -0.505 55.902 56.400 0.012 0.000 0.917 133 E CB 1.235 30.940 29.700 0.008 0.000 0.965 133 E HN 0.253 nan 8.360 nan 0.000 0.433 134 V N 2.728 122.644 119.914 0.004 0.000 2.585 134 V HA -0.085 4.035 4.120 -0.000 0.000 0.296 134 V C 0.365 176.465 176.094 0.011 0.000 1.035 134 V CA 0.265 62.560 62.300 -0.008 0.000 1.084 134 V CB -0.171 31.604 31.823 -0.080 0.000 0.953 134 V HN 0.577 nan 8.190 nan 0.000 0.483 135 N N 4.130 122.871 118.700 0.068 0.000 2.448 135 N HA 0.135 4.875 4.740 -0.000 0.000 0.250 135 N C 0.703 176.270 175.510 0.095 0.000 1.136 135 N CA -0.241 52.857 53.050 0.080 0.000 0.953 135 N CB 0.568 39.109 38.487 0.090 0.000 1.251 135 N HN 0.671 nan 8.380 nan 0.000 0.502 136 E N 0.713 120.925 120.200 0.020 0.000 2.418 136 E HA -0.149 4.201 4.350 -0.000 0.000 0.197 136 E C 0.712 177.345 176.600 0.054 0.000 1.026 136 E CA 0.616 57.010 56.400 -0.009 0.000 0.862 136 E CB 0.152 29.834 29.700 -0.029 0.000 0.799 136 E HN 0.653 nan 8.360 nan 0.000 0.518 137 D N 0.125 120.562 120.400 0.062 0.000 2.348 137 D HA -0.050 4.590 4.640 -0.000 0.000 0.211 137 D C 0.479 176.814 176.300 0.058 0.000 0.998 137 D CA 0.122 54.154 54.000 0.053 0.000 0.873 137 D CB 0.080 40.900 40.800 0.033 0.000 0.925 137 D HN -0.087 nan 8.370 nan 0.000 0.524 138 V N 3.262 123.229 119.914 0.089 0.000 2.353 138 V HA 0.127 4.247 4.120 -0.000 0.000 0.264 138 V C -1.207 174.889 176.094 0.004 0.000 1.049 138 V CA -1.103 61.215 62.300 0.030 0.000 0.896 138 V CB 1.436 33.257 31.823 -0.002 0.000 1.025 138 V HN -0.001 nan 8.190 nan 0.000 0.475 139 P HA -0.013 nan 4.420 nan 0.000 0.221 139 P C 0.162 177.343 177.300 -0.198 0.000 1.150 139 P CA 0.951 63.998 63.100 -0.087 0.000 0.800 139 P CB 0.979 32.614 31.700 -0.109 0.000 0.787 140 L N -1.232 119.851 121.223 -0.234 0.000 2.526 140 L HA 0.693 5.033 4.340 -0.000 0.000 0.263 140 L C -1.819 174.907 176.870 -0.241 0.000 0.943 140 L CA -0.931 53.733 54.840 -0.294 0.000 0.859 140 L CB 2.220 44.069 42.059 -0.350 0.000 1.313 140 L HN -0.148 nan 8.230 nan 0.000 0.406 141 A N 3.661 126.337 122.820 -0.239 0.000 2.515 141 A HA 0.806 5.126 4.320 -0.000 0.000 0.298 141 A C -1.693 175.815 177.584 -0.125 0.000 1.059 141 A CA -0.392 51.547 52.037 -0.164 0.000 0.698 141 A CB 2.257 21.151 19.000 -0.177 0.000 1.289 141 A HN 0.708 nan 8.150 nan 0.000 0.404 142 V N 0.542 120.387 119.914 -0.115 0.000 3.078 142 V HA 0.914 5.034 4.120 -0.000 0.000 0.311 142 V C -1.033 174.854 176.094 -0.346 0.000 1.138 142 V CA -0.704 61.504 62.300 -0.154 0.000 1.007 142 V CB 2.050 33.862 31.823 -0.018 0.000 1.045 142 V HN 1.089 nan 8.190 nan 0.000 0.432 143 K N 3.475 123.687 120.400 -0.314 0.000 2.468 143 K HA 0.685 5.004 4.320 -0.000 0.000 0.252 143 K C -2.103 174.315 176.600 -0.304 0.000 0.932 143 K CA -0.764 55.318 56.287 -0.342 0.000 0.794 143 K CB 2.079 34.484 32.500 -0.159 0.000 1.241 143 K HN 0.788 nan 8.250 nan 0.000 0.428 144 I N 2.214 122.589 120.570 -0.324 0.000 2.436 144 I HA 0.379 4.549 4.170 -0.000 0.000 0.289 144 I C -1.411 174.621 176.117 -0.141 0.000 1.010 144 I CA 0.011 61.179 61.300 -0.219 0.000 1.098 144 I CB 1.894 39.800 38.000 -0.155 0.000 1.266 144 I HN 0.485 nan 8.210 nan 0.000 0.434 145 S N 6.986 122.591 115.700 -0.158 0.000 2.482 145 S HA 0.645 5.115 4.470 -0.000 0.000 0.303 145 S C -0.883 173.590 174.600 -0.211 0.000 1.091 145 S CA -0.281 57.868 58.200 -0.086 0.000 1.057 145 S CB 0.787 64.004 63.200 0.029 0.000 1.031 145 S HN 0.380 nan 8.310 nan 0.000 0.485 146 F N 2.237 122.171 119.950 -0.027 0.000 2.436 146 F HA 0.589 5.115 4.527 -0.000 0.000 0.340 146 F C -0.155 175.618 175.800 -0.044 0.000 1.113 146 F CA -0.703 57.332 58.000 0.057 0.000 1.022 146 F CB 0.851 39.872 39.000 0.035 0.000 1.128 146 F HN 0.440 nan 8.300 nan 0.000 0.466 147 F N 1.119 121.204 119.950 0.225 0.000 2.411 147 F HA 0.317 4.844 4.527 0.000 0.000 0.324 147 F C 1.562 177.448 175.800 0.142 0.000 1.086 147 F CA -0.637 57.461 58.000 0.162 0.000 1.028 147 F CB 0.710 39.783 39.000 0.123 0.000 1.284 147 F HN 0.538 nan 8.300 nan 0.000 0.501 148 E N 0.038 120.416 120.200 0.298 0.000 2.150 148 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 148 E C 2.004 178.702 176.600 0.162 0.000 0.985 148 E CA 1.662 58.169 56.400 0.179 0.000 0.814 148 E CB -0.205 29.575 29.700 0.133 0.000 0.752 148 E HN 0.760 nan 8.360 nan 0.000 0.466 149 C N -1.381 118.031 119.300 0.186 0.000 2.448 149 C HA 0.302 4.762 4.460 -0.000 0.000 0.280 149 C C 1.942 177.004 174.990 0.121 0.000 1.398 149 C CA 0.181 59.273 59.018 0.123 0.000 1.774 149 C CB -0.669 27.125 27.740 0.090 0.000 1.888 149 C HN 0.544 nan 8.230 nan 0.000 0.519 150 G N -0.163 108.743 108.800 0.176 0.000 2.284 150 G HA2 0.095 4.055 3.960 -0.000 0.000 0.201 150 G HA3 0.095 4.055 3.960 -0.000 0.000 0.201 150 G C 0.475 175.493 174.900 0.196 0.000 0.998 150 G CA 0.047 45.245 45.100 0.164 0.000 0.651 150 G HN 1.103 nan 8.290 nan 0.000 0.489 151 G N 0.340 109.247 108.800 0.177 0.000 2.614 151 G HA2 0.601 4.561 3.960 -0.000 0.000 0.239 151 G HA3 0.601 4.561 3.960 -0.000 0.000 0.239 151 G C 0.349 175.404 174.900 0.259 0.000 1.240 151 G CA 1.465 46.639 45.100 0.123 0.000 0.842 151 G HN 1.545 nan 8.290 nan 0.000 0.584 152 T N -2.686 111.987 114.554 0.197 0.000 2.883 152 T HA 0.734 5.084 4.350 -0.000 0.000 0.301 152 T C -0.626 174.211 174.700 0.229 0.000 1.158 152 T CA -0.306 61.913 62.100 0.198 0.000 1.007 152 T CB 2.115 70.930 68.868 -0.088 0.000 1.186 152 T HN 1.527 nan 8.240 nan 0.000 0.499 153 A N 1.991 124.905 122.820 0.157 0.000 2.343 153 A HA 0.760 5.080 4.320 -0.000 0.000 0.308 153 A C -0.522 176.958 177.584 -0.173 0.000 1.092 153 A CA -0.963 51.008 52.037 -0.110 0.000 0.751 153 A CB 0.677 19.542 19.000 -0.225 0.000 1.203 153 A HN 0.891 nan 8.150 nan 0.000 0.452 154 I N 2.924 123.368 120.570 -0.210 0.000 2.328 154 I HA 0.455 4.625 4.170 -0.000 0.000 0.287 154 I C 0.667 176.672 176.117 -0.186 0.000 1.012 154 I CA -0.356 60.857 61.300 -0.145 0.000 1.195 154 I CB 1.691 39.656 38.000 -0.058 0.000 1.350 154 I HN 0.713 nan 8.210 nan 0.000 0.464 155 G N 5.947 114.672 108.800 -0.125 0.000 2.368 155 G HA2 0.595 4.555 3.960 -0.000 0.000 0.320 155 G HA3 0.595 4.555 3.960 -0.000 0.000 0.320 155 G C -0.815 174.077 174.900 -0.013 0.000 1.158 155 G CA -0.298 44.743 45.100 -0.098 0.000 0.912 155 G HN 0.339 nan 8.290 nan 0.000 0.456 156 V N 2.852 122.797 119.914 0.051 0.000 2.604 156 V HA 0.465 4.585 4.120 -0.000 0.000 0.305 156 V C -0.808 175.299 176.094 0.022 0.000 1.043 156 V CA -1.198 61.158 62.300 0.093 0.000 0.888 156 V CB 2.073 34.045 31.823 0.249 0.000 0.995 156 V HN 0.662 nan 8.190 nan 0.000 0.429 157 N N 3.964 122.612 118.700 -0.086 0.000 2.524 157 N HA 0.504 5.244 4.740 -0.000 0.000 0.261 157 N C -1.333 173.997 175.510 -0.300 0.000 0.998 157 N CA -0.258 52.688 53.050 -0.174 0.000 0.915 157 N CB 2.050 40.379 38.487 -0.264 0.000 1.187 157 N HN 0.584 nan 8.380 nan 0.000 0.507 158 L N 1.320 122.432 121.223 -0.185 0.000 2.341 158 L HA 0.417 4.757 4.340 -0.000 0.000 0.278 158 L C 0.288 177.130 176.870 -0.047 0.000 1.005 158 L CA -0.500 54.225 54.840 -0.191 0.000 0.818 158 L CB 1.650 43.596 42.059 -0.188 0.000 1.259 158 L HN 0.411 nan 8.230 nan 0.000 0.418 159 S N 2.707 118.428 115.700 0.035 0.000 2.516 159 S HA -0.010 4.460 4.470 -0.000 0.000 0.282 159 S C 1.139 175.822 174.600 0.138 0.000 1.286 159 S CA -0.115 58.249 58.200 0.274 0.000 1.066 159 S CB 0.267 63.594 63.200 0.211 0.000 0.884 159 S HN 0.667 nan 8.310 nan 0.000 0.491 160 H N 3.612 122.748 119.070 0.110 0.000 2.521 160 H HA 0.047 4.603 4.556 -0.000 0.000 0.286 160 H C 1.705 177.065 175.328 0.053 0.000 1.034 160 H CA 1.183 57.276 56.048 0.075 0.000 1.278 160 H CB 0.214 30.044 29.762 0.112 0.000 1.386 160 H HN 0.609 nan 8.280 nan 0.000 0.567 161 K N 0.251 120.763 120.400 0.187 0.000 2.504 161 K HA -0.007 4.313 4.320 -0.000 0.000 0.195 161 K C 1.044 177.718 176.600 0.122 0.000 1.036 161 K CA 0.534 56.899 56.287 0.129 0.000 0.984 161 K CB -0.070 32.487 32.500 0.096 0.000 0.788 161 K HN 0.236 nan 8.250 nan 0.000 0.488 162 I N -1.408 119.206 120.570 0.074 0.000 4.620 162 I HA 0.362 4.532 4.170 -0.000 0.000 0.347 162 I C -1.089 174.953 176.117 -0.125 0.000 1.302 162 I CA 0.035 61.305 61.300 -0.050 0.000 1.277 162 I CB 1.357 39.285 38.000 -0.119 0.000 1.566 162 I HN 0.042 nan 8.210 nan 0.000 0.547 163 A N 0.224 123.026 122.820 -0.030 0.000 2.594 163 A HA 0.634 4.954 4.320 -0.000 0.000 0.296 163 A C -1.640 175.904 177.584 -0.067 0.000 1.061 163 A CA -0.623 51.373 52.037 -0.069 0.000 0.689 163 A CB 0.895 19.823 19.000 -0.119 0.000 1.280 163 A HN 0.094 nan 8.150 nan 0.000 0.406 164 D N 0.321 120.680 120.400 -0.069 0.000 2.487 164 D HA 0.457 5.097 4.640 -0.000 0.000 0.262 164 D C 1.385 177.560 176.300 -0.208 0.000 1.130 164 D CA 0.119 54.060 54.000 -0.098 0.000 1.038 164 D CB 0.054 40.853 40.800 -0.001 0.000 1.142 164 D HN 0.664 nan 8.370 nan 0.000 0.575 165 V N -1.499 118.258 119.914 -0.262 0.000 2.469 165 V HA -0.183 3.937 4.120 -0.000 0.000 0.251 165 V C 2.418 178.355 176.094 -0.261 0.000 1.064 165 V CA 1.114 63.170 62.300 -0.407 0.000 1.066 165 V CB -1.176 30.269 31.823 -0.630 0.000 0.667 165 V HN 0.531 nan 8.190 nan 0.000 0.461 166 L N 0.327 121.452 121.223 -0.164 0.000 2.017 166 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 166 L C 2.773 179.616 176.870 -0.046 0.000 1.073 166 L CA 1.919 56.700 54.840 -0.098 0.000 0.745 166 L CB -0.285 41.739 42.059 -0.057 0.000 0.894 166 L HN 0.373 nan 8.230 nan 0.000 0.432 167 S N -0.108 115.562 115.700 -0.049 0.000 2.383 167 S HA -0.225 4.244 4.470 -0.000 0.000 0.229 167 S C 1.729 176.352 174.600 0.037 0.000 1.030 167 S CA 1.548 59.746 58.200 -0.003 0.000 1.002 167 S CB -0.399 62.780 63.200 -0.035 0.000 0.829 167 S HN 0.343 nan 8.310 nan 0.000 0.467 168 L N 1.839 123.025 121.223 -0.062 0.000 2.046 168 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 168 L C 2.313 179.200 176.870 0.029 0.000 1.077 168 L CA 1.937 56.739 54.840 -0.064 0.000 0.747 168 L CB -0.977 40.896 42.059 -0.310 0.000 0.896 168 L HN 0.236 nan 8.230 nan 0.000 0.432 169 A N -1.525 121.307 122.820 0.019 0.000 1.898 169 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 169 A C 2.249 179.885 177.584 0.086 0.000 1.181 169 A CA 2.198 54.287 52.037 0.086 0.000 0.620 169 A CB -1.254 17.740 19.000 -0.009 0.000 0.819 169 A HN 0.513 nan 8.150 nan 0.000 0.442 170 T N -0.654 113.979 114.554 0.131 0.000 2.720 170 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 170 T C 1.608 176.456 174.700 0.247 0.000 1.037 170 T CA 1.684 63.909 62.100 0.208 0.000 1.144 170 T CB -0.449 68.554 68.868 0.226 0.000 0.864 170 T HN 0.531 nan 8.240 nan 0.000 0.444 171 F N 1.447 121.443 119.950 0.076 0.000 2.084 171 F HA -0.003 4.524 4.527 -0.000 0.000 0.296 171 F C 1.957 177.679 175.800 -0.130 0.000 1.111 171 F CA 1.167 59.056 58.000 -0.185 0.000 1.224 171 F CB -0.291 38.609 39.000 -0.166 0.000 0.991 171 F HN 0.010 nan 8.300 nan 0.000 0.471 172 L N 0.450 121.503 121.223 -0.284 0.000 2.131 172 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 172 L C 2.155 178.820 176.870 -0.342 0.000 1.092 172 L CA 0.962 55.591 54.840 -0.352 0.000 0.759 172 L CB -0.941 41.044 42.059 -0.123 0.000 0.903 172 L HN 0.211 nan 8.230 nan 0.000 0.435 173 N N 0.571 119.157 118.700 -0.190 0.000 2.069 173 N HA -0.190 4.549 4.740 -0.000 0.000 0.191 173 N C 1.886 177.288 175.510 -0.180 0.000 1.031 173 N CA 1.790 54.748 53.050 -0.153 0.000 0.852 173 N CB -0.388 38.077 38.487 -0.038 0.000 1.018 173 N HN 0.335 nan 8.380 nan 0.000 0.423 174 A N -0.149 122.576 122.820 -0.159 0.000 1.898 174 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 174 A C 2.134 179.648 177.584 -0.117 0.000 1.181 174 A CA 1.222 53.202 52.037 -0.095 0.000 0.620 174 A CB -1.015 17.999 19.000 0.022 0.000 0.819 174 A HN 0.508 nan 8.150 nan 0.000 0.442 175 W N 2.091 123.061 121.300 -0.551 0.000 2.354 175 W HA -0.201 4.459 4.660 0.000 0.000 0.315 175 W C 2.495 178.852 176.519 -0.269 0.000 1.206 175 W CA 2.931 60.024 57.345 -0.421 0.000 1.290 175 W CB -1.112 27.954 29.460 -0.658 0.000 1.152 175 W HN 0.432 nan 8.180 nan 0.000 0.489 176 T N -0.717 113.474 114.554 -0.605 0.000 2.720 176 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 176 T C 2.034 176.502 174.700 -0.387 0.000 1.037 176 T CA 2.197 63.753 62.100 -0.906 0.000 1.144 176 T CB -1.203 66.987 68.868 -1.129 0.000 0.864 176 T HN 0.155 nan 8.240 nan 0.000 0.444 177 A N 1.776 124.453 122.820 -0.239 0.000 1.902 177 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 177 A C 2.653 180.221 177.584 -0.027 0.000 1.181 177 A CA 2.112 54.080 52.037 -0.116 0.000 0.623 177 A CB -1.490 17.462 19.000 -0.081 0.000 0.818 177 A HN 0.553 nan 8.150 nan 0.000 0.443 178 T N -1.175 113.397 114.554 0.030 0.000 2.788 178 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 178 T C 1.905 176.690 174.700 0.140 0.000 1.044 178 T CA 1.371 63.537 62.100 0.110 0.000 1.139 178 T CB -0.761 68.216 68.868 0.182 0.000 0.867 178 T HN 0.593 nan 8.240 nan 0.000 0.454 179 C N 1.606 120.996 119.300 0.151 0.000 2.435 179 C HA 0.054 4.514 4.460 -0.000 0.000 0.279 179 C C 2.721 177.803 174.990 0.154 0.000 1.321 179 C CA 0.496 59.641 59.018 0.211 0.000 1.752 179 C CB -1.073 26.829 27.740 0.271 0.000 1.959 179 C HN 0.450 nan 8.230 nan 0.000 0.500 180 R N -0.121 120.409 120.500 0.051 0.000 2.316 180 R HA 0.089 4.429 4.340 -0.000 0.000 0.202 180 R C 1.620 177.956 176.300 0.060 0.000 1.029 180 R CA 0.813 56.934 56.100 0.034 0.000 1.018 180 R CB -0.318 29.961 30.300 -0.034 0.000 0.888 180 R HN 0.689 nan 8.270 nan 0.000 0.471 181 G N 1.540 110.387 108.800 0.079 0.000 2.147 181 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 181 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 181 G C -0.247 174.684 174.900 0.052 0.000 1.005 181 G CA -0.050 45.096 45.100 0.078 0.000 0.713 181 G HN 0.282 nan 8.290 nan 0.000 0.515 182 E N 0.397 120.617 120.200 0.034 0.000 2.404 182 E HA 0.273 4.623 4.350 -0.000 0.000 0.261 182 E C 1.848 178.463 176.600 0.026 0.000 1.074 182 E CA 0.492 56.904 56.400 0.019 0.000 0.917 182 E CB 0.611 30.311 29.700 -0.000 0.000 0.965 182 E HN 0.490 nan 8.360 nan 0.000 0.433 183 T N -0.441 114.124 114.554 0.018 0.000 2.613 183 T HA -0.137 4.213 4.350 -0.000 0.000 0.248 183 T C 0.823 175.529 174.700 0.009 0.000 1.107 183 T CA 0.343 62.455 62.100 0.019 0.000 1.238 183 T CB -0.320 68.558 68.868 0.015 0.000 0.899 183 T HN 0.571 nan 8.240 nan 0.000 0.400 184 E N 1.915 122.111 120.200 -0.006 0.000 2.360 184 E HA 0.304 4.654 4.350 -0.000 0.000 0.269 184 E C -1.046 175.531 176.600 -0.038 0.000 1.022 184 E CA -0.529 55.855 56.400 -0.027 0.000 0.887 184 E CB 0.683 30.364 29.700 -0.032 0.000 0.990 184 E HN 0.363 nan 8.360 nan 0.000 0.426 185 I N 2.591 123.118 120.570 -0.072 0.000 2.750 185 I HA 0.104 4.274 4.170 -0.000 0.000 0.308 185 I C -0.411 175.644 176.117 -0.103 0.000 1.016 185 I CA -1.476 59.782 61.300 -0.071 0.000 1.098 185 I CB 1.984 39.947 38.000 -0.063 0.000 1.279 185 I HN 0.484 nan 8.210 nan 0.000 0.454 186 V N 7.223 127.101 119.914 -0.060 0.000 2.326 186 V HA 0.242 4.362 4.120 -0.000 0.000 0.249 186 V C 0.121 176.125 176.094 -0.149 0.000 1.114 186 V CA -0.226 62.013 62.300 -0.102 0.000 1.028 186 V CB -0.646 31.179 31.823 0.004 0.000 1.170 186 V HN 0.425 nan 8.190 nan 0.000 0.494 187 L N 9.290 130.340 121.223 -0.288 0.000 2.456 187 L HA 0.337 4.677 4.340 -0.000 0.000 0.272 187 L C -1.764 174.904 176.870 -0.336 0.000 1.189 187 L CA -1.322 53.347 54.840 -0.284 0.000 0.846 187 L CB 0.974 42.880 42.059 -0.254 0.000 1.111 187 L HN 0.464 nan 8.230 nan 0.000 0.475 188 P HA 0.163 nan 4.420 nan 0.000 0.281 188 P C -1.379 175.695 177.300 -0.377 0.000 1.249 188 P CA -0.608 62.187 63.100 -0.508 0.000 0.810 188 P CB 0.830 31.852 31.700 -1.130 0.000 1.008 189 N N 0.741 119.237 118.700 -0.340 0.000 2.442 189 N HA 0.351 5.090 4.740 -0.000 0.000 0.274 189 N C -0.500 174.814 175.510 -0.327 0.000 1.002 189 N CA -0.477 52.451 53.050 -0.203 0.000 0.910 189 N CB 0.403 38.899 38.487 0.016 0.000 1.244 189 N HN 0.159 nan 8.380 nan 0.000 0.492 190 F N 1.206 121.214 119.950 0.097 0.000 2.693 190 F HA 0.281 4.808 4.527 0.000 0.000 0.303 190 F C 0.663 176.525 175.800 0.104 0.000 1.097 190 F CA -0.284 57.833 58.000 0.195 0.000 1.330 190 F CB 0.612 39.724 39.000 0.186 0.000 1.067 190 F HN 0.494 nan 8.300 nan 0.000 0.565 191 D N -0.657 119.847 120.400 0.174 0.000 2.380 191 D HA 0.010 4.650 4.640 -0.000 0.000 0.212 191 D C 2.256 178.575 176.300 0.031 0.000 1.021 191 D CA 0.339 54.385 54.000 0.076 0.000 0.884 191 D CB 0.078 40.918 40.800 0.067 0.000 1.001 191 D HN -0.058 nan 8.370 nan 0.000 0.506 192 L N 1.522 122.786 121.223 0.070 0.000 1.971 192 L HA -0.159 4.181 4.340 -0.000 0.000 0.215 192 L C 2.443 179.400 176.870 0.144 0.000 1.072 192 L CA 1.827 56.744 54.840 0.129 0.000 0.758 192 L CB -1.567 40.573 42.059 0.135 0.000 0.889 192 L HN 0.033 nan 8.230 nan 0.000 0.433 193 A N -0.654 122.276 122.820 0.184 0.000 1.892 193 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 193 A C 2.442 180.161 177.584 0.225 0.000 1.188 193 A CA 2.444 54.664 52.037 0.306 0.000 0.631 193 A CB -0.885 18.319 19.000 0.341 0.000 0.822 193 A HN 0.465 nan 8.150 nan 0.000 0.447 194 A N -0.651 122.191 122.820 0.036 0.000 1.968 194 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 194 A C 2.230 179.780 177.584 -0.057 0.000 1.169 194 A CA 1.331 53.364 52.037 -0.008 0.000 0.638 194 A CB -0.373 18.570 19.000 -0.095 0.000 0.812 194 A HN 0.579 nan 8.150 nan 0.000 0.446 195 R N -1.207 119.205 120.500 -0.147 0.000 2.073 195 R HA -0.034 4.305 4.340 -0.000 0.000 0.229 195 R C 1.834 177.877 176.300 -0.427 0.000 1.120 195 R CA 1.327 57.254 56.100 -0.287 0.000 0.967 195 R CB -0.381 29.692 30.300 -0.378 0.000 0.862 195 R HN 0.615 nan 8.270 nan 0.000 0.436 196 H N -1.031 117.830 119.070 -0.348 0.000 2.535 196 H HA 0.071 4.627 4.556 -0.000 0.000 0.273 196 H C -0.170 174.583 175.328 -0.958 0.000 0.983 196 H CA 0.725 56.329 56.048 -0.740 0.000 1.238 196 H CB 0.422 29.533 29.762 -1.086 0.000 1.412 196 H HN 0.059 nan 8.280 nan 0.000 0.562 197 F N 0.917 120.940 119.950 0.120 0.000 2.931 197 F HA 0.348 4.875 4.527 -0.000 0.000 0.375 197 F C -2.619 173.236 175.800 0.091 0.000 1.243 197 F CA -2.876 55.206 58.000 0.136 0.000 1.206 197 F CB 1.162 40.264 39.000 0.170 0.000 1.643 197 F HN -0.194 nan 8.300 nan 0.000 0.593 198 P HA 0.136 nan 4.420 nan 0.000 0.271 198 P C -2.427 174.931 177.300 0.095 0.000 1.216 198 P CA -1.140 62.001 63.100 0.069 0.000 0.776 198 P CB 0.150 31.850 31.700 0.001 0.000 0.881 199 P HA 0.004 nan 4.420 nan 0.000 0.271 199 P C -0.521 176.821 177.300 0.071 0.000 1.220 199 P CA 0.277 63.450 63.100 0.122 0.000 0.768 199 P CB 0.387 32.135 31.700 0.080 0.000 0.848 200 V N 3.483 123.465 119.914 0.114 0.000 2.649 200 V HA 0.110 4.230 4.120 -0.000 0.000 0.292 200 V C 0.874 177.006 176.094 0.063 0.000 1.055 200 V CA -0.297 62.033 62.300 0.051 0.000 1.023 200 V CB 0.450 32.304 31.823 0.052 0.000 0.992 200 V HN 0.483 nan 8.190 nan 0.000 0.480 201 D N 3.533 123.952 120.400 0.033 0.000 2.424 201 D HA 0.086 4.726 4.640 -0.000 0.000 0.244 201 D C 0.927 177.247 176.300 0.034 0.000 1.134 201 D CA 0.592 54.609 54.000 0.029 0.000 0.881 201 D CB 0.268 41.078 40.800 0.015 0.000 1.191 201 D HN 0.646 nan 8.370 nan 0.000 0.445 202 N N 0.306 119.025 118.700 0.032 0.000 2.778 202 N HA -0.176 4.564 4.740 -0.000 0.000 0.249 202 N C -0.618 174.913 175.510 0.035 0.000 1.069 202 N CA 0.784 53.851 53.050 0.028 0.000 0.831 202 N CB -1.491 37.009 38.487 0.021 0.000 1.142 202 N HN 0.360 nan 8.380 nan 0.000 0.573 203 T N 2.571 117.154 114.554 0.050 0.000 2.829 203 T HA 0.221 4.571 4.350 -0.000 0.000 0.293 203 T C -2.111 172.610 174.700 0.036 0.000 0.970 203 T CA -0.342 61.790 62.100 0.054 0.000 1.168 203 T CB 1.003 69.924 68.868 0.089 0.000 0.911 203 T HN 0.080 nan 8.240 nan 0.000 0.535 204 P HA 0.270 nan 4.420 nan 0.000 0.278 204 P C -0.491 176.816 177.300 0.011 0.000 1.238 204 P CA -0.608 62.502 63.100 0.017 0.000 0.794 204 P CB 0.666 32.374 31.700 0.013 0.000 0.955 205 S N 2.580 118.287 115.700 0.011 0.000 2.489 205 S HA 0.367 4.836 4.470 -0.000 0.000 0.277 205 S C -2.105 172.496 174.600 0.002 0.000 1.230 205 S CA -1.487 56.717 58.200 0.006 0.000 1.053 205 S CB -0.527 62.681 63.200 0.012 0.000 0.955 205 S HN 0.261 nan 8.310 nan 0.000 0.488 206 P HA 0.203 nan 4.420 nan 0.000 0.268 206 P C -0.510 176.790 177.300 0.000 0.000 1.204 206 P CA -0.210 62.890 63.100 -0.001 0.000 0.768 206 P CB 0.500 32.198 31.700 -0.003 0.000 0.842 207 E N 1.423 121.622 120.200 -0.001 0.000 2.343 207 E HA 0.315 4.665 4.350 -0.000 0.000 0.269 207 E C -0.867 175.726 176.600 -0.012 0.000 1.047 207 E CA -0.541 55.856 56.400 -0.005 0.000 0.874 207 E CB 0.404 30.102 29.700 -0.005 0.000 1.033 207 E HN 0.264 nan 8.360 nan 0.000 0.409 208 L N 4.926 126.135 121.223 -0.024 0.000 2.265 208 L HA 0.366 4.706 4.340 -0.000 0.000 0.289 208 L C -1.431 175.403 176.870 -0.060 0.000 1.033 208 L CA -0.638 54.169 54.840 -0.055 0.000 0.814 208 L CB 1.275 43.278 42.059 -0.093 0.000 1.203 208 L HN 0.331 nan 8.230 nan 0.000 0.423 209 V N 7.360 127.240 119.914 -0.057 0.000 2.348 209 V HA 0.416 4.536 4.120 -0.000 0.000 0.270 209 V C -1.986 174.062 176.094 -0.076 0.000 1.037 209 V CA -1.489 60.781 62.300 -0.050 0.000 0.872 209 V CB 0.697 32.503 31.823 -0.027 0.000 1.002 209 V HN 0.711 nan 8.190 nan 0.000 0.464 210 P HA 0.242 nan 4.420 nan 0.000 0.271 210 P C -0.618 176.644 177.300 -0.063 0.000 1.216 210 P CA -0.282 62.753 63.100 -0.109 0.000 0.776 210 P CB 0.591 32.236 31.700 -0.091 0.000 0.881 211 D N 1.611 121.975 120.400 -0.060 0.000 2.329 211 D HA 0.058 4.698 4.640 -0.000 0.000 0.246 211 D C 1.062 177.356 176.300 -0.010 0.000 1.111 211 D CA -0.123 53.864 54.000 -0.021 0.000 0.941 211 D CB 0.990 41.787 40.800 -0.006 0.000 1.169 211 D HN 0.345 nan 8.370 nan 0.000 0.441 212 E N 0.244 120.448 120.200 0.006 0.000 2.075 212 E HA -0.025 4.325 4.350 -0.000 0.000 0.190 212 E C 0.292 176.903 176.600 0.018 0.000 0.969 212 E CA 0.641 57.047 56.400 0.010 0.000 0.815 212 E CB 0.108 29.815 29.700 0.012 0.000 0.776 212 E HN 0.318 nan 8.360 nan 0.000 0.457 213 N N 0.784 119.500 118.700 0.027 0.000 2.597 213 N HA 0.024 4.763 4.740 -0.000 0.000 0.269 213 N C -0.484 175.049 175.510 0.039 0.000 1.204 213 N CA -0.007 53.062 53.050 0.032 0.000 0.947 213 N CB 0.710 39.218 38.487 0.034 0.000 1.258 213 N HN -0.038 nan 8.380 nan 0.000 0.508 214 V N 1.006 120.941 119.914 0.036 0.000 2.383 214 V HA 0.380 4.500 4.120 -0.000 0.000 0.275 214 V C -0.145 175.983 176.094 0.057 0.000 1.036 214 V CA -0.671 61.657 62.300 0.047 0.000 0.889 214 V CB 1.031 32.875 31.823 0.036 0.000 0.985 214 V HN 0.151 nan 8.190 nan 0.000 0.459 215 V N 5.024 124.980 119.914 0.070 0.000 2.715 215 V HA 0.687 4.807 4.120 -0.000 0.000 0.310 215 V C -0.255 175.905 176.094 0.109 0.000 1.054 215 V CA -0.908 61.440 62.300 0.080 0.000 0.928 215 V CB 1.685 33.547 31.823 0.064 0.000 1.007 215 V HN 1.011 nan 8.190 nan 0.000 0.437 216 M N 3.513 123.189 119.600 0.127 0.000 2.456 216 M HA 0.670 5.150 4.480 -0.000 0.000 0.324 216 M C -1.175 175.193 176.300 0.114 0.000 1.124 216 M CA -0.451 54.948 55.300 0.165 0.000 0.959 216 M CB 1.902 34.636 32.600 0.225 0.000 1.692 216 M HN 0.755 nan 8.290 nan 0.000 0.444 217 K N 3.239 123.703 120.400 0.105 0.000 2.395 217 K HA 0.463 4.783 4.320 -0.000 0.000 0.247 217 K C -1.275 175.218 176.600 -0.178 0.000 0.973 217 K CA -0.781 55.432 56.287 -0.123 0.000 0.828 217 K CB 2.237 34.531 32.500 -0.344 0.000 1.272 217 K HN 0.802 nan 8.250 nan 0.000 0.439 218 R N 1.916 122.117 120.500 -0.499 0.000 2.207 218 R HA 0.282 4.622 4.340 -0.000 0.000 0.334 218 R C -1.143 174.887 176.300 -0.450 0.000 1.013 218 R CA -0.313 55.380 56.100 -0.679 0.000 0.858 218 R CB 0.114 29.657 30.300 -1.261 0.000 1.094 218 R HN 0.300 nan 8.270 nan 0.000 0.457 219 F N 3.878 123.701 119.950 -0.211 0.000 2.410 219 F HA 0.307 4.834 4.527 -0.000 0.000 0.349 219 F C 0.062 175.772 175.800 -0.149 0.000 1.117 219 F CA -0.644 57.254 58.000 -0.171 0.000 1.104 219 F CB 1.816 40.799 39.000 -0.029 0.000 1.122 219 F HN 0.107 nan 8.300 nan 0.000 0.483 220 V N 4.746 124.553 119.914 -0.178 0.000 2.417 220 V HA 0.348 4.467 4.120 -0.000 0.000 0.291 220 V C -0.638 175.280 176.094 -0.294 0.000 1.024 220 V CA -0.888 61.348 62.300 -0.108 0.000 0.861 220 V CB 1.190 32.931 31.823 -0.136 0.000 0.985 220 V HN 0.471 nan 8.190 nan 0.000 0.436 221 F N 3.885 123.843 119.950 0.015 0.000 2.325 221 F HA 0.399 4.926 4.527 -0.000 0.000 0.369 221 F C 0.621 176.406 175.800 -0.024 0.000 1.095 221 F CA -1.077 56.910 58.000 -0.022 0.000 1.082 221 F CB 0.799 39.778 39.000 -0.035 0.000 1.289 221 F HN 0.638 nan 8.300 nan 0.000 0.462 222 D N 1.659 122.094 120.400 0.058 0.000 2.414 222 D HA 0.072 4.712 4.640 -0.000 0.000 0.251 222 D C 1.418 177.742 176.300 0.039 0.000 1.252 222 D CA -0.556 53.462 54.000 0.030 0.000 0.999 222 D CB 0.720 41.509 40.800 -0.019 0.000 1.093 222 D HN 0.072 nan 8.370 nan 0.000 0.515 223 K N -0.076 120.335 120.400 0.018 0.000 2.044 223 K HA -0.329 3.991 4.320 -0.000 0.000 0.224 223 K C 1.809 178.419 176.600 0.017 0.000 1.056 223 K CA 2.492 58.789 56.287 0.015 0.000 0.962 223 K CB -0.565 31.937 32.500 0.002 0.000 0.730 223 K HN 0.729 nan 8.250 nan 0.000 0.453 224 E N 0.618 120.821 120.200 0.005 0.000 2.153 224 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 224 E C 1.878 178.479 176.600 0.003 0.000 0.988 224 E CA 1.891 58.292 56.400 0.001 0.000 0.811 224 E CB -0.094 29.600 29.700 -0.011 0.000 0.746 224 E HN 0.157 nan 8.360 nan 0.000 0.466 225 K N -0.292 120.112 120.400 0.007 0.000 2.155 225 K HA 0.047 4.367 4.320 -0.000 0.000 0.203 225 K C 1.789 178.407 176.600 0.029 0.000 1.052 225 K CA 0.984 57.276 56.287 0.009 0.000 0.948 225 K CB -0.219 32.289 32.500 0.012 0.000 0.728 225 K HN 0.212 nan 8.250 nan 0.000 0.448 226 I N -0.153 120.447 120.570 0.049 0.000 2.406 226 I HA -0.036 4.134 4.170 -0.000 0.000 0.249 226 I C 1.960 178.097 176.117 0.034 0.000 1.122 226 I CA 1.240 62.560 61.300 0.035 0.000 1.431 226 I CB -0.322 37.702 38.000 0.040 0.000 1.087 226 I HN 0.297 nan 8.210 nan 0.000 0.424 227 G N -0.346 108.473 108.800 0.032 0.000 2.471 227 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.219 227 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.219 227 G C 1.724 176.646 174.900 0.036 0.000 1.125 227 G CA 0.735 45.856 45.100 0.036 0.000 0.775 227 G HN 0.476 nan 8.290 nan 0.000 0.548 228 A N 0.510 123.346 122.820 0.027 0.000 1.878 228 A HA 0.287 4.606 4.320 -0.000 0.000 0.213 228 A C 2.300 179.914 177.584 0.050 0.000 1.192 228 A CA 0.627 52.682 52.037 0.029 0.000 0.619 228 A CB -0.279 18.729 19.000 0.013 0.000 0.837 228 A HN 0.292 nan 8.150 nan 0.000 0.446 229 L N -0.701 120.548 121.223 0.043 0.000 2.201 229 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 229 L C 2.675 179.623 176.870 0.130 0.000 1.105 229 L CA 1.308 56.222 54.840 0.123 0.000 0.775 229 L CB -0.399 41.654 42.059 -0.010 0.000 0.913 229 L HN 0.477 nan 8.230 nan 0.000 0.440 230 R N 0.892 121.433 120.500 0.069 0.000 2.052 230 R HA -0.077 4.263 4.340 -0.000 0.000 0.224 230 R C 2.230 178.548 176.300 0.030 0.000 1.165 230 R CA 1.305 57.442 56.100 0.062 0.000 0.939 230 R CB -0.372 30.004 30.300 0.127 0.000 0.834 230 R HN 0.220 nan 8.270 nan 0.000 0.435 231 A N 1.058 123.913 122.820 0.058 0.000 2.272 231 A HA -0.188 4.132 4.320 -0.000 0.000 0.213 231 A C 1.972 179.568 177.584 0.019 0.000 1.183 231 A CA 1.166 53.233 52.037 0.051 0.000 0.719 231 A CB -0.514 18.514 19.000 0.048 0.000 0.771 231 A HN 0.643 nan 8.150 nan 0.000 0.484 232 Q N -0.052 119.749 119.800 0.002 0.000 1.990 232 Q HA 0.021 4.361 4.340 -0.000 0.000 0.200 232 Q C 1.096 177.042 176.000 -0.090 0.000 0.980 232 Q CA 1.019 56.812 55.803 -0.017 0.000 0.832 232 Q CB -0.204 28.554 28.738 0.034 0.000 0.897 232 Q HN 0.578 nan 8.270 nan 0.000 0.427 233 A N 1.363 124.057 122.820 -0.210 0.000 2.437 233 A HA 0.326 4.646 4.320 -0.000 0.000 0.303 233 A C -0.162 177.350 177.584 -0.121 0.000 1.324 233 A CA -0.145 51.711 52.037 -0.303 0.000 0.983 233 A CB 0.507 19.098 19.000 -0.681 0.000 1.142 233 A HN 0.303 nan 8.150 nan 0.000 0.541 242 F N 0.552 120.509 119.950 0.012 0.000 2.361 242 F HA 0.540 5.067 4.527 -0.000 0.000 0.364 242 F C 1.184 176.989 175.800 0.010 0.000 1.117 242 F CA -1.075 56.935 58.000 0.017 0.000 1.071 242 F CB 1.208 40.227 39.000 0.031 0.000 1.188 242 F HN 0.278 nan 8.300 nan 0.000 0.464 243 S N 3.218 118.994 115.700 0.127 0.000 2.603 243 S HA 0.301 4.770 4.470 -0.000 0.000 0.268 243 S C 1.466 176.100 174.600 0.057 0.000 1.317 243 S CA -0.683 57.556 58.200 0.065 0.000 1.012 243 S CB 1.322 64.535 63.200 0.023 0.000 0.926 243 S HN 0.839 nan 8.310 nan 0.000 0.539 244 R N 0.963 121.477 120.500 0.024 0.000 2.133 244 R HA -0.139 4.201 4.340 -0.000 0.000 0.245 244 R C 2.007 178.265 176.300 -0.070 0.000 1.137 244 R CA 2.336 58.428 56.100 -0.012 0.000 0.947 244 R CB -1.048 29.246 30.300 -0.010 0.000 0.865 244 R HN 0.690 nan 8.270 nan 0.000 0.437 245 V N 1.064 120.935 119.914 -0.071 0.000 2.255 245 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 245 V C 2.406 178.406 176.094 -0.158 0.000 1.051 245 V CA 2.145 64.366 62.300 -0.131 0.000 1.018 245 V CB -0.647 31.116 31.823 -0.100 0.000 0.641 245 V HN 0.494 nan 8.190 nan 0.000 0.445 246 Q N -0.646 119.111 119.800 -0.072 0.000 2.045 246 Q HA -0.289 4.051 4.340 -0.000 0.000 0.206 246 Q C 2.302 178.299 176.000 -0.004 0.000 0.991 246 Q CA 1.981 57.767 55.803 -0.028 0.000 0.851 246 Q CB -0.524 28.250 28.738 0.059 0.000 0.911 246 Q HN 0.456 nan 8.270 nan 0.000 0.418 247 L N 0.256 121.494 121.223 0.025 0.000 2.043 247 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 247 L C 2.186 179.005 176.870 -0.086 0.000 1.075 247 L CA 1.490 56.370 54.840 0.067 0.000 0.752 247 L CB -0.379 41.704 42.059 0.040 0.000 0.891 247 L HN 0.041 nan 8.230 nan 0.000 0.432 248 V N -2.063 117.689 119.914 -0.269 0.000 2.488 248 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 248 V C 2.329 178.204 176.094 -0.364 0.000 1.046 248 V CA 1.103 63.101 62.300 -0.502 0.000 1.053 248 V CB 0.121 31.448 31.823 -0.826 0.000 0.679 248 V HN 0.244 nan 8.190 nan 0.000 0.458 249 V N 0.561 120.232 119.914 -0.406 0.000 2.295 249 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 249 V C 2.767 178.809 176.094 -0.086 0.000 1.049 249 V CA 2.068 64.043 62.300 -0.541 0.000 1.024 249 V CB -1.149 30.259 31.823 -0.692 0.000 0.648 249 V HN 0.548 nan 8.190 nan 0.000 0.447 250 A N -0.780 122.077 122.820 0.062 0.000 1.892 250 A HA -0.335 3.985 4.320 -0.000 0.000 0.218 250 A C 2.185 179.926 177.584 0.263 0.000 1.188 250 A CA 2.541 54.751 52.037 0.288 0.000 0.631 250 A CB -0.918 18.330 19.000 0.413 0.000 0.822 250 A HN 0.660 nan 8.150 nan 0.000 0.447 251 Y N 0.261 120.505 120.300 -0.094 0.000 2.200 251 Y HA -0.135 4.415 4.550 -0.000 0.000 0.290 251 Y C 2.049 177.933 175.900 -0.026 0.000 1.137 251 Y CA 1.817 59.732 58.100 -0.308 0.000 1.163 251 Y CB -0.194 37.926 38.460 -0.567 0.000 0.988 251 Y HN 0.277 nan 8.280 nan 0.000 0.518 252 I N -1.758 118.887 120.570 0.126 0.000 2.286 252 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 252 I C 2.114 178.343 176.117 0.187 0.000 1.104 252 I CA 1.067 62.458 61.300 0.151 0.000 1.397 252 I CB -0.610 37.544 38.000 0.256 0.000 1.072 252 I HN 0.376 nan 8.210 nan 0.000 0.417 253 W N 2.582 123.886 121.300 0.006 0.000 2.333 253 W HA -0.241 4.419 4.660 -0.000 0.000 0.316 253 W C 2.602 179.040 176.519 -0.134 0.000 1.215 253 W CA 1.535 58.862 57.345 -0.030 0.000 1.278 253 W CB -0.525 28.913 29.460 -0.036 0.000 1.154 253 W HN -0.032 nan 8.180 nan 0.000 0.486 254 K N -0.792 119.546 120.400 -0.104 0.000 2.074 254 K HA -0.245 4.075 4.320 -0.000 0.000 0.209 254 K C 1.940 178.366 176.600 -0.290 0.000 1.048 254 K CA 1.823 57.952 56.287 -0.264 0.000 0.926 254 K CB -0.783 31.599 32.500 -0.198 0.000 0.713 254 K HN 0.269 nan 8.250 nan 0.000 0.444 255 H N -0.391 118.592 119.070 -0.145 0.000 2.448 255 H HA -0.054 4.502 4.556 -0.000 0.000 0.292 255 H C 2.074 177.348 175.328 -0.091 0.000 1.035 255 H CA 1.315 57.273 56.048 -0.150 0.000 1.349 255 H CB -0.021 29.599 29.762 -0.236 0.000 1.425 255 H HN 0.211 nan 8.280 nan 0.000 0.539 256 V N -0.579 119.367 119.914 0.054 0.000 2.719 256 V HA -0.085 4.034 4.120 -0.000 0.000 0.252 256 V C 2.233 178.311 176.094 -0.028 0.000 1.065 256 V CA 0.933 63.263 62.300 0.049 0.000 1.086 256 V CB -0.648 31.232 31.823 0.095 0.000 0.700 256 V HN 0.175 nan 8.190 nan 0.000 0.467 257 I N 0.789 121.245 120.570 -0.190 0.000 2.163 257 I HA -0.192 3.978 4.170 -0.000 0.000 0.243 257 I C 2.534 178.475 176.117 -0.292 0.000 1.085 257 I CA 2.170 63.152 61.300 -0.530 0.000 1.347 257 I CB -0.555 36.912 38.000 -0.889 0.000 1.044 257 I HN 0.314 nan 8.210 nan 0.000 0.408 258 D N 0.374 120.690 120.400 -0.141 0.000 2.123 258 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 258 D C 2.262 178.570 176.300 0.014 0.000 0.992 258 D CA 1.889 55.868 54.000 -0.036 0.000 0.833 258 D CB -0.237 40.576 40.800 0.021 0.000 0.954 258 D HN 0.378 nan 8.370 nan 0.000 0.455 259 V N -1.377 118.555 119.914 0.031 0.000 2.548 259 V HA -0.105 4.015 4.120 -0.000 0.000 0.249 259 V C 2.201 178.357 176.094 0.104 0.000 1.055 259 V CA 1.607 63.941 62.300 0.056 0.000 1.065 259 V CB -0.935 30.921 31.823 0.055 0.000 0.681 259 V HN -0.016 nan 8.190 nan 0.000 0.462 260 T N 0.092 114.732 114.554 0.143 0.000 2.737 260 T HA -0.108 4.242 4.350 -0.000 0.000 0.265 260 T C 2.059 176.958 174.700 0.332 0.000 1.038 260 T CA 1.917 64.197 62.100 0.301 0.000 1.144 260 T CB -0.360 68.698 68.868 0.317 0.000 0.866 260 T HN 0.431 nan 8.240 nan 0.000 0.434 261 R N 0.558 121.213 120.500 0.257 0.000 2.237 261 R HA 0.065 4.405 4.340 -0.000 0.000 0.219 261 R C 2.323 178.714 176.300 0.152 0.000 1.080 261 R CA 0.942 57.200 56.100 0.263 0.000 0.995 261 R CB -0.202 30.246 30.300 0.247 0.000 0.875 261 R HN 0.367 nan 8.270 nan 0.000 0.462 262 A N 0.330 123.211 122.820 0.101 0.000 1.975 262 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 262 A C 1.947 179.534 177.584 0.005 0.000 1.170 262 A CA 0.823 52.889 52.037 0.048 0.000 0.656 262 A CB -0.024 18.994 19.000 0.030 0.000 0.821 262 A HN 0.184 nan 8.150 nan 0.000 0.449 263 K N -1.851 118.533 120.400 -0.025 0.000 2.172 263 K HA 0.120 4.440 4.320 -0.000 0.000 0.203 263 K C -0.202 176.221 176.600 -0.293 0.000 1.040 263 K CA 0.128 56.289 56.287 -0.210 0.000 0.974 263 K CB 0.022 32.300 32.500 -0.370 0.000 0.857 263 K HN 0.435 nan 8.250 nan 0.000 0.464 264 Y N 0.318 120.658 120.300 0.066 0.000 2.408 264 Y HA 0.379 4.929 4.550 -0.000 0.000 0.324 264 Y C 1.209 177.149 175.900 0.068 0.000 1.302 264 Y CA -0.715 57.422 58.100 0.062 0.000 1.384 264 Y CB 0.278 38.779 38.460 0.069 0.000 1.367 264 Y HN 0.082 nan 8.280 nan 0.000 0.525 265 G N -0.361 108.572 108.800 0.221 0.000 2.631 265 G HA2 0.371 4.330 3.960 -0.000 0.000 0.271 265 G HA3 0.371 4.330 3.960 -0.000 0.000 0.271 265 G C -0.736 174.248 174.900 0.141 0.000 1.302 265 G CA -0.336 44.844 45.100 0.135 0.000 1.002 265 G HN 0.796 nan 8.290 nan 0.000 0.519 266 A N 0.102 122.981 122.820 0.098 0.000 3.015 266 A HA 0.400 4.720 4.320 -0.000 0.000 0.293 266 A C 1.433 179.010 177.584 -0.011 0.000 1.572 266 A CA -0.369 51.715 52.037 0.079 0.000 1.274 266 A CB 0.013 19.071 19.000 0.098 0.000 1.156 266 A HN 0.470 nan 8.150 nan 0.000 0.562 267 K N 0.909 121.268 120.400 -0.068 0.000 2.005 267 K HA 0.046 4.366 4.320 -0.000 0.000 0.214 267 K C 0.562 177.080 176.600 -0.136 0.000 1.030 267 K CA 0.999 57.232 56.287 -0.090 0.000 0.955 267 K CB -0.116 32.334 32.500 -0.084 0.000 0.767 267 K HN 0.709 nan 8.250 nan 0.000 0.446 268 N N 0.279 118.849 118.700 -0.216 0.000 3.357 268 N HA 0.100 4.839 4.740 -0.000 0.000 0.359 268 N C -0.319 174.989 175.510 -0.337 0.000 1.477 268 N CA -0.615 52.311 53.050 -0.207 0.000 0.645 268 N CB -0.212 38.185 38.487 -0.150 0.000 1.703 268 N HN -0.181 nan 8.380 nan 0.000 0.597 269 K N 0.223 120.486 120.400 -0.229 0.000 2.584 269 K HA -0.002 4.317 4.320 -0.000 0.000 0.277 269 K C -0.900 175.471 176.600 -0.382 0.000 0.960 269 K CA 0.929 57.102 56.287 -0.190 0.000 0.975 269 K CB -0.136 32.331 32.500 -0.055 0.000 0.885 269 K HN 0.310 nan 8.250 nan 0.000 0.515 270 F N 0.970 120.964 119.950 0.073 0.000 2.493 270 F HA 0.414 4.941 4.527 -0.000 0.000 0.329 270 F C -0.474 175.556 175.800 0.383 0.000 1.126 270 F CA -1.005 57.088 58.000 0.155 0.000 0.937 270 F CB 1.548 40.546 39.000 -0.003 0.000 1.146 270 F HN -0.035 nan 8.300 nan 0.000 0.442 271 V N 4.394 124.658 119.914 0.584 0.000 2.656 271 V HA 0.507 4.627 4.120 -0.000 0.000 0.307 271 V C -0.955 175.177 176.094 0.063 0.000 1.051 271 V CA -0.922 61.612 62.300 0.390 0.000 0.893 271 V CB 2.249 34.222 31.823 0.250 0.000 0.999 271 V HN 0.479 nan 8.190 nan 0.000 0.426 272 V N 5.115 124.740 119.914 -0.481 0.000 2.495 272 V HA 0.703 4.823 4.120 -0.000 0.000 0.298 272 V C -0.662 175.162 176.094 -0.449 0.000 1.031 272 V CA -0.343 61.504 62.300 -0.756 0.000 0.871 272 V CB 2.117 32.984 31.823 -1.593 0.000 0.988 272 V HN 0.679 nan 8.190 nan 0.000 0.432 273 V N 6.704 126.380 119.914 -0.398 0.000 2.715 273 V HA 0.650 4.770 4.120 -0.000 0.000 0.310 273 V C -0.685 175.206 176.094 -0.338 0.000 1.054 273 V CA -0.308 61.653 62.300 -0.565 0.000 0.928 273 V CB 2.177 33.502 31.823 -0.830 0.000 1.007 273 V HN 0.990 nan 8.190 nan 0.000 0.437 274 Q N 3.961 123.565 119.800 -0.327 0.000 2.323 274 Q HA 0.713 5.053 4.340 -0.000 0.000 0.271 274 Q C -0.848 175.061 176.000 -0.150 0.000 1.048 274 Q CA -0.691 55.020 55.803 -0.154 0.000 0.792 274 Q CB 2.348 31.026 28.738 -0.101 0.000 1.280 274 Q HN 0.887 nan 8.270 nan 0.000 0.441 275 A N 2.112 124.883 122.820 -0.080 0.000 2.276 275 A HA 0.666 4.986 4.320 -0.000 0.000 0.300 275 A C -0.060 177.519 177.584 -0.008 0.000 1.235 275 A CA -0.415 51.595 52.037 -0.046 0.000 0.867 275 A CB 0.340 19.328 19.000 -0.021 0.000 1.137 275 A HN 0.547 nan 8.150 nan 0.000 0.527 276 V N 1.090 120.996 119.914 -0.012 0.000 3.130 276 V HA 0.501 4.621 4.120 -0.000 0.000 0.310 276 V C 0.044 176.135 176.094 -0.006 0.000 1.158 276 V CA -1.246 61.052 62.300 -0.004 0.000 1.029 276 V CB 1.713 33.531 31.823 -0.009 0.000 1.057 276 V HN 0.904 nan 8.190 nan 0.000 0.436 277 N N 0.799 119.494 118.700 -0.009 0.000 2.434 277 N HA 0.041 4.780 4.740 -0.000 0.000 0.268 277 N C 0.479 175.982 175.510 -0.011 0.000 1.256 277 N CA -0.307 52.734 53.050 -0.015 0.000 0.914 277 N CB 0.898 39.373 38.487 -0.020 0.000 1.088 277 N HN 0.801 nan 8.380 nan 0.000 0.478 278 L N 5.226 126.439 121.223 -0.016 0.000 2.492 278 L HA 0.077 4.416 4.340 -0.000 0.000 0.223 278 L C 2.113 178.978 176.870 -0.009 0.000 1.132 278 L CA 0.832 55.666 54.840 -0.010 0.000 0.850 278 L CB -0.232 41.807 42.059 -0.032 0.000 0.966 278 L HN 0.574 nan 8.230 nan 0.000 0.454 279 R N -0.394 120.094 120.500 -0.020 0.000 2.096 279 R HA -0.138 4.202 4.340 -0.000 0.000 0.229 279 R C 2.192 178.464 176.300 -0.048 0.000 1.134 279 R CA 1.932 58.007 56.100 -0.041 0.000 0.917 279 R CB -0.840 29.429 30.300 -0.052 0.000 0.832 279 R HN 0.557 nan 8.270 nan 0.000 0.430 280 S N 0.542 116.222 115.700 -0.032 0.000 2.595 280 S HA -0.033 4.437 4.470 -0.000 0.000 0.235 280 S C 1.476 176.065 174.600 -0.017 0.000 0.974 280 S CA 0.728 58.912 58.200 -0.027 0.000 0.942 280 S CB -0.101 63.088 63.200 -0.018 0.000 0.766 280 S HN 0.254 nan 8.310 nan 0.000 0.536 281 R N 0.275 120.769 120.500 -0.010 0.000 2.362 281 R HA 0.345 4.685 4.340 -0.000 0.000 0.227 281 R C 0.511 176.823 176.300 0.020 0.000 0.905 281 R CA 0.085 56.192 56.100 0.010 0.000 1.067 281 R CB 0.067 30.381 30.300 0.025 0.000 1.078 281 R HN 0.587 nan 8.270 nan 0.000 0.516 282 M N -0.453 119.144 119.600 -0.005 0.000 2.494 282 M HA 0.343 4.823 4.480 -0.000 0.000 0.300 282 M C -0.308 175.984 176.300 -0.013 0.000 1.189 282 M CA -0.784 54.517 55.300 0.001 0.000 0.982 282 M CB 0.747 33.313 32.600 -0.057 0.000 1.534 282 M HN -0.307 nan 8.290 nan 0.000 0.488 283 N N 2.085 120.789 118.700 0.007 0.000 2.569 283 N HA 0.525 5.265 4.740 -0.000 0.000 0.254 283 N C -2.734 172.773 175.510 -0.005 0.000 1.004 283 N CA -1.273 51.778 53.050 0.001 0.000 0.904 283 N CB 0.825 39.322 38.487 0.017 0.000 1.165 283 N HN 0.555 nan 8.380 nan 0.000 0.513 284 P HA 0.555 nan 4.420 nan 0.000 0.287 284 P C -2.790 174.460 177.300 -0.083 0.000 1.270 284 P CA -1.308 61.767 63.100 -0.041 0.000 0.844 284 P CB 0.679 32.361 31.700 -0.030 0.000 1.068 285 P HA 0.138 nan 4.420 nan 0.000 0.271 285 P C -0.601 176.619 177.300 -0.133 0.000 1.244 285 P CA 0.051 63.099 63.100 -0.087 0.000 0.793 285 P CB 0.772 32.440 31.700 -0.053 0.000 0.984 286 L N 0.688 121.824 121.223 -0.145 0.000 2.354 286 L HA 0.453 4.793 4.340 -0.000 0.000 0.269 286 L C -2.101 174.655 176.870 -0.190 0.000 1.005 286 L CA -2.547 52.178 54.840 -0.191 0.000 0.819 286 L CB 1.954 43.877 42.059 -0.227 0.000 1.311 286 L HN 0.248 nan 8.230 nan 0.000 0.423 287 P HA 0.002 nan 4.420 nan 0.000 0.269 287 P C 0.085 177.164 177.300 -0.368 0.000 1.209 287 P CA -0.033 62.815 63.100 -0.421 0.000 0.776 287 P CB 0.405 31.482 31.700 -1.038 0.000 0.876 288 H N 1.757 120.711 119.070 -0.193 0.000 2.390 288 H HA -0.228 4.327 4.556 -0.000 0.000 0.298 288 H C 1.404 176.688 175.328 -0.074 0.000 1.106 288 H CA 1.794 57.788 56.048 -0.091 0.000 1.297 288 H CB -1.484 28.272 29.762 -0.009 0.000 1.375 288 H HN 0.521 nan 8.280 nan 0.000 0.509 289 Y N 0.212 120.143 120.300 -0.615 0.000 2.502 289 Y HA 0.542 5.091 4.550 -0.000 0.000 0.295 289 Y C 0.893 176.623 175.900 -0.284 0.000 1.193 289 Y CA -0.670 57.158 58.100 -0.453 0.000 1.295 289 Y CB -0.515 37.624 38.460 -0.535 0.000 1.059 289 Y HN 0.385 nan 8.280 nan 0.000 0.514 290 A N 2.465 125.033 122.820 -0.420 0.000 2.491 290 A HA 0.315 4.634 4.320 -0.000 0.000 0.261 290 A C 0.235 177.735 177.584 -0.139 0.000 1.101 290 A CA -0.308 51.578 52.037 -0.252 0.000 0.772 290 A CB -0.140 18.735 19.000 -0.207 0.000 1.043 290 A HN 0.362 nan 8.150 nan 0.000 0.501 291 M N 2.198 121.699 119.600 -0.165 0.000 2.249 291 M HA 0.579 5.059 4.480 -0.000 0.000 0.351 291 M C 0.720 177.045 176.300 0.042 0.000 1.180 291 M CA 0.764 55.980 55.300 -0.140 0.000 1.127 291 M CB 0.451 32.803 32.600 -0.413 0.000 1.546 291 M HN 1.317 nan 8.290 nan 0.000 0.461 292 G N 3.190 111.994 108.800 0.007 0.000 2.354 292 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.582 292 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.582 292 G C -1.171 173.773 174.900 0.074 0.000 1.316 292 G CA -1.121 44.037 45.100 0.096 0.000 0.995 292 G HN 0.674 nan 8.290 nan 0.000 0.573 293 N N 0.499 119.260 118.700 0.102 0.000 2.399 293 N HA 0.466 5.206 4.740 -0.000 0.000 0.259 293 N C 0.333 175.836 175.510 -0.013 0.000 1.160 293 N CA 0.019 53.102 53.050 0.055 0.000 0.946 293 N CB 0.283 38.810 38.487 0.067 0.000 1.156 293 N HN 0.429 nan 8.380 nan 0.000 0.489 294 I N 2.001 122.557 120.570 -0.024 0.000 2.905 294 I HA 0.404 4.574 4.170 -0.000 0.000 0.297 294 I C -0.282 175.793 176.117 -0.070 0.000 1.358 294 I CA -0.345 60.914 61.300 -0.069 0.000 0.975 294 I CB 0.168 38.182 38.000 0.023 0.000 1.857 294 I HN 0.373 nan 8.210 nan 0.000 0.612 295 A N 1.792 124.558 122.820 -0.089 0.000 2.435 295 A HA 0.925 5.245 4.320 -0.000 0.000 0.296 295 A C -0.508 177.041 177.584 -0.058 0.000 1.147 295 A CA -0.542 51.465 52.037 -0.051 0.000 0.775 295 A CB 2.461 21.451 19.000 -0.016 0.000 1.340 295 A HN 0.266 nan 8.150 nan 0.000 0.427 296 T N -0.338 114.202 114.554 -0.023 0.000 2.865 296 T HA 0.593 4.943 4.350 -0.000 0.000 0.294 296 T C -1.681 173.015 174.700 -0.007 0.000 1.119 296 T CA -0.446 61.655 62.100 0.003 0.000 1.007 296 T CB 0.827 69.721 68.868 0.043 0.000 1.225 296 T HN 0.414 nan 8.240 nan 0.000 0.515 297 L N 3.309 124.544 121.223 0.020 0.000 2.313 297 L HA 0.620 4.960 4.340 -0.000 0.000 0.283 297 L C -0.574 176.277 176.870 -0.033 0.000 1.013 297 L CA -0.438 54.355 54.840 -0.078 0.000 0.816 297 L CB 0.962 42.989 42.059 -0.053 0.000 1.236 297 L HN 0.587 nan 8.230 nan 0.000 0.419 298 L N 3.801 124.890 121.223 -0.223 0.000 2.365 298 L HA 0.598 4.938 4.340 -0.000 0.000 0.273 298 L C -0.906 175.807 176.870 -0.261 0.000 1.000 298 L CA -0.439 54.370 54.840 -0.052 0.000 0.819 298 L CB 1.850 43.904 42.059 -0.008 0.000 1.284 298 L HN 0.303 nan 8.230 nan 0.000 0.418 299 F N 1.090 121.021 119.950 -0.031 0.000 2.520 299 F HA 0.791 5.317 4.527 -0.000 0.000 0.322 299 F C 0.300 176.076 175.800 -0.039 0.000 1.103 299 F CA -0.831 57.137 58.000 -0.052 0.000 0.926 299 F CB 2.054 41.037 39.000 -0.029 0.000 1.154 299 F HN 0.463 nan 8.300 nan 0.000 0.453 300 A N 1.824 124.689 122.820 0.075 0.000 2.356 300 A HA 0.984 5.304 4.320 -0.000 0.000 0.323 300 A C -1.192 176.545 177.584 0.256 0.000 1.119 300 A CA -0.595 51.514 52.037 0.118 0.000 0.790 300 A CB 1.449 20.478 19.000 0.049 0.000 1.273 300 A HN 1.071 nan 8.150 nan 0.000 0.452 301 A N 0.184 123.211 122.820 0.345 0.000 2.572 301 A HA 0.783 5.102 4.320 -0.000 0.000 0.295 301 A C -0.792 176.906 177.584 0.189 0.000 1.072 301 A CA 0.012 52.260 52.037 0.353 0.000 0.691 301 A CB 1.315 20.441 19.000 0.209 0.000 1.291 301 A HN 2.295 nan 8.150 nan 0.000 0.404 302 V N -0.290 119.680 119.914 0.093 0.000 2.971 302 V HA 0.775 4.894 4.120 -0.000 0.000 0.309 302 V C -0.414 175.713 176.094 0.054 0.000 1.130 302 V CA -0.650 61.608 62.300 -0.071 0.000 0.964 302 V CB 1.731 33.194 31.823 -0.601 0.000 1.029 302 V HN 1.091 nan 8.190 nan 0.000 0.427 303 D N 3.264 123.721 120.400 0.096 0.000 2.376 303 D HA 0.431 5.070 4.640 -0.000 0.000 0.268 303 D C 1.473 177.826 176.300 0.087 0.000 1.252 303 D CA 0.350 54.394 54.000 0.073 0.000 1.041 303 D CB 0.964 41.804 40.800 0.068 0.000 1.109 303 D HN 0.876 nan 8.370 nan 0.000 0.552 304 A N -0.230 122.600 122.820 0.016 0.000 1.869 304 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 304 A C 0.947 178.628 177.584 0.160 0.000 1.203 304 A CA 2.172 54.199 52.037 -0.017 0.000 0.638 304 A CB -1.074 17.916 19.000 -0.016 0.000 0.831 304 A HN 0.753 nan 8.150 nan 0.000 0.450 305 E N -2.866 117.442 120.200 0.181 0.000 2.129 305 E HA 0.418 4.768 4.350 -0.000 0.000 0.268 305 E C -0.169 176.583 176.600 0.254 0.000 0.900 305 E CA -0.866 55.664 56.400 0.217 0.000 0.755 305 E CB 1.029 30.800 29.700 0.119 0.000 1.117 305 E HN 0.551 nan 8.360 nan 0.000 0.410 306 W N 4.516 125.852 121.300 0.060 0.000 3.103 306 W HA 0.137 4.797 4.660 -0.000 0.000 0.258 306 W C 0.051 176.541 176.519 -0.049 0.000 1.001 306 W CA 1.105 58.443 57.345 -0.011 0.000 1.940 306 W CB 0.493 29.917 29.460 -0.059 0.000 1.116 306 W HN 0.674 nan 8.180 nan 0.000 0.600 307 D N 0.558 120.843 120.400 -0.191 0.000 3.079 307 D HA -0.189 4.451 4.640 -0.000 0.000 0.214 307 D C 0.216 176.138 176.300 -0.631 0.000 1.145 307 D CA 1.151 54.953 54.000 -0.331 0.000 0.958 307 D CB -1.211 39.477 40.800 -0.188 0.000 1.117 307 D HN 0.317 nan 8.370 nan 0.000 0.416 308 K N 0.525 120.106 120.400 -1.365 0.000 2.362 308 K HA 0.253 4.573 4.320 -0.000 0.000 0.245 308 K C 0.601 176.728 176.600 -0.788 0.000 1.040 308 K CA -0.600 54.968 56.287 -1.198 0.000 0.961 308 K CB 0.836 32.434 32.500 -1.503 0.000 1.252 308 K HN -0.037 nan 8.250 nan 0.000 0.503 309 D N 0.444 120.586 120.400 -0.431 0.000 2.423 309 D HA 0.032 4.672 4.640 -0.000 0.000 0.255 309 D C 1.160 177.490 176.300 0.050 0.000 1.174 309 D CA -0.156 53.753 54.000 -0.153 0.000 1.008 309 D CB 0.381 41.100 40.800 -0.135 0.000 1.101 309 D HN 0.472 nan 8.370 nan 0.000 0.516 310 F N 0.405 120.384 119.950 0.049 0.000 2.216 310 F HA -0.007 4.520 4.527 -0.000 0.000 0.300 310 F C -0.998 174.881 175.800 0.131 0.000 1.085 310 F CA 0.508 58.576 58.000 0.113 0.000 1.326 310 F CB -1.721 37.319 39.000 0.068 0.000 1.027 310 F HN 0.173 nan 8.300 nan 0.000 0.497 311 P HA -0.135 nan 4.420 nan 0.000 0.230 311 P C 0.734 177.949 177.300 -0.142 0.000 1.158 311 P CA 1.254 64.016 63.100 -0.564 0.000 0.769 311 P CB -0.178 31.096 31.700 -0.709 0.000 0.807 312 D N -0.381 120.030 120.400 0.018 0.000 2.363 312 D HA 0.031 4.671 4.640 -0.000 0.000 0.226 312 D C 1.580 178.015 176.300 0.225 0.000 1.020 312 D CA 0.300 54.388 54.000 0.147 0.000 0.892 312 D CB -0.070 40.847 40.800 0.194 0.000 0.900 312 D HN 0.205 nan 8.370 nan 0.000 0.531 313 L N -0.140 121.193 121.223 0.183 0.000 2.554 313 L HA 0.161 4.501 4.340 -0.000 0.000 0.225 313 L C 2.094 179.070 176.870 0.177 0.000 1.104 313 L CA 0.070 54.985 54.840 0.125 0.000 0.866 313 L CB 0.215 42.308 42.059 0.057 0.000 1.047 313 L HN -0.028 nan 8.230 nan 0.000 0.468 314 I N -0.346 120.310 120.570 0.144 0.000 2.676 314 I HA -0.072 4.098 4.170 -0.000 0.000 0.259 314 I C 2.483 178.689 176.117 0.149 0.000 1.194 314 I CA 0.827 62.218 61.300 0.152 0.000 1.473 314 I CB -0.704 37.384 38.000 0.146 0.000 1.096 314 I HN 0.198 nan 8.210 nan 0.000 0.443 315 G N 2.466 111.347 108.800 0.135 0.000 2.575 315 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.215 315 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.215 315 G C -0.496 174.474 174.900 0.116 0.000 1.262 315 G CA 0.816 45.988 45.100 0.121 0.000 0.807 315 G HN 0.248 nan 8.290 nan 0.000 0.567 316 P HA -0.101 nan 4.420 nan 0.000 0.216 316 P C 2.034 179.407 177.300 0.122 0.000 1.154 316 P CA 0.887 64.066 63.100 0.132 0.000 0.865 316 P CB -0.136 31.664 31.700 0.167 0.000 0.789 317 L N -1.745 119.555 121.223 0.128 0.000 2.141 317 L HA -0.112 4.227 4.340 -0.000 0.000 0.209 317 L C 2.745 179.649 176.870 0.056 0.000 1.094 317 L CA 1.285 56.170 54.840 0.075 0.000 0.763 317 L CB -0.420 41.678 42.059 0.065 0.000 0.908 317 L HN -0.153 nan 8.230 nan 0.000 0.437 318 R N -0.228 120.316 120.500 0.073 0.000 2.075 318 R HA -0.167 4.173 4.340 -0.000 0.000 0.230 318 R C 2.290 178.618 176.300 0.048 0.000 1.140 318 R CA 2.167 58.302 56.100 0.058 0.000 0.928 318 R CB -0.486 29.856 30.300 0.070 0.000 0.834 318 R HN 0.413 nan 8.270 nan 0.000 0.429 319 T N -1.380 113.208 114.554 0.056 0.000 2.946 319 T HA -0.123 4.227 4.350 -0.000 0.000 0.271 319 T C 1.931 176.666 174.700 0.058 0.000 1.104 319 T CA 1.340 63.472 62.100 0.053 0.000 1.114 319 T CB -0.297 68.605 68.868 0.058 0.000 0.867 319 T HN 0.169 nan 8.240 nan 0.000 0.513 320 S N 0.909 116.645 115.700 0.060 0.000 2.368 320 S HA -0.021 4.449 4.470 -0.000 0.000 0.225 320 S C 1.750 176.381 174.600 0.051 0.000 1.030 320 S CA 0.761 58.998 58.200 0.063 0.000 0.999 320 S CB -0.331 62.900 63.200 0.051 0.000 0.844 320 S HN 0.395 nan 8.310 nan 0.000 0.459 321 L N 1.449 122.691 121.223 0.032 0.000 2.341 321 L HA 0.303 4.643 4.340 -0.000 0.000 0.214 321 L C 1.127 178.014 176.870 0.028 0.000 1.115 321 L CA 0.608 55.462 54.840 0.022 0.000 0.820 321 L CB -1.718 40.345 42.059 0.006 0.000 0.944 321 L HN 0.271 nan 8.230 nan 0.000 0.452 322 E N 2.354 122.574 120.200 0.032 0.000 2.652 322 E HA -0.091 4.259 4.350 -0.000 0.000 0.255 322 E C 0.090 176.711 176.600 0.034 0.000 0.952 322 E CA 0.328 56.746 56.400 0.029 0.000 0.947 322 E CB 0.560 30.278 29.700 0.031 0.000 0.912 322 E HN 0.265 nan 8.360 nan 0.000 0.489 323 K N 1.711 122.126 120.400 0.026 0.000 2.414 323 K HA 0.034 4.354 4.320 -0.000 0.000 0.272 323 K C 0.484 177.101 176.600 0.028 0.000 0.993 323 K CA 0.419 56.723 56.287 0.028 0.000 0.964 323 K CB 0.558 33.069 32.500 0.018 0.000 0.925 323 K HN 0.388 nan 8.250 nan 0.000 0.487 324 T N 0.181 114.753 114.554 0.030 0.000 2.906 324 T HA 0.117 4.467 4.350 -0.000 0.000 0.295 324 T C -0.333 174.365 174.700 -0.003 0.000 1.061 324 T CA -0.742 61.371 62.100 0.020 0.000 1.000 324 T CB 1.321 70.215 68.868 0.043 0.000 1.103 324 T HN 0.548 nan 8.240 nan 0.000 0.486 325 E N 2.108 122.292 120.200 -0.028 0.000 2.528 325 E HA 0.286 4.635 4.350 -0.000 0.000 0.237 325 E C 0.046 176.589 176.600 -0.094 0.000 1.408 325 E CA 0.089 56.462 56.400 -0.045 0.000 1.571 325 E CB -0.418 29.258 29.700 -0.041 0.000 1.395 325 E HN 0.764 nan 8.360 nan 0.000 0.438 326 D N -0.132 120.211 120.400 -0.096 0.000 2.756 326 D HA 0.420 5.060 4.640 -0.000 0.000 0.226 326 D C -0.232 176.058 176.300 -0.017 0.000 1.186 326 D CA -0.162 53.737 54.000 -0.167 0.000 0.845 326 D CB 1.035 41.547 40.800 -0.479 0.000 1.610 326 D HN 0.168 nan 8.370 nan 0.000 0.465 327 D N -0.894 119.509 120.400 0.005 0.000 2.369 327 D HA 0.307 4.947 4.640 -0.000 0.000 0.241 327 D C 1.495 177.875 176.300 0.134 0.000 1.271 327 D CA 0.635 54.681 54.000 0.076 0.000 0.942 327 D CB -0.010 40.785 40.800 -0.007 0.000 1.129 327 D HN 0.773 nan 8.370 nan 0.000 0.476 328 H N -0.757 118.395 119.070 0.135 0.000 2.423 328 H HA -0.105 4.451 4.556 -0.000 0.000 0.297 328 H C 1.281 176.700 175.328 0.151 0.000 1.075 328 H CA 1.453 57.593 56.048 0.152 0.000 1.342 328 H CB -0.338 29.537 29.762 0.188 0.000 1.395 328 H HN 0.451 nan 8.280 nan 0.000 0.530 329 N N 1.168 119.748 118.700 -0.200 0.000 2.142 329 N HA -0.175 4.564 4.740 -0.000 0.000 0.186 329 N C 2.037 177.566 175.510 0.031 0.000 1.023 329 N CA 1.400 54.404 53.050 -0.077 0.000 0.852 329 N CB -0.698 37.705 38.487 -0.141 0.000 0.998 329 N HN 0.639 nan 8.380 nan 0.000 0.424 330 H N 0.988 120.037 119.070 -0.035 0.000 2.352 330 H HA -0.039 4.517 4.556 -0.000 0.000 0.299 330 H C 1.781 177.119 175.328 0.017 0.000 1.097 330 H CA 1.831 57.875 56.048 -0.007 0.000 1.311 330 H CB 0.177 29.938 29.762 -0.002 0.000 1.377 330 H HN 0.293 nan 8.280 nan 0.000 0.504 331 E N -0.315 119.971 120.200 0.143 0.000 2.028 331 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 331 E C 2.163 178.796 176.600 0.056 0.000 0.988 331 E CA 1.037 57.500 56.400 0.105 0.000 0.799 331 E CB 0.015 29.826 29.700 0.185 0.000 0.755 331 E HN 0.312 nan 8.360 nan 0.000 0.447 332 L N 0.658 121.930 121.223 0.081 0.000 2.012 332 L HA -0.196 4.143 4.340 -0.000 0.000 0.210 332 L C 2.380 179.263 176.870 0.022 0.000 1.073 332 L CA 1.271 56.158 54.840 0.078 0.000 0.748 332 L CB -0.778 41.336 42.059 0.093 0.000 0.891 332 L HN 0.215 nan 8.230 nan 0.000 0.431 333 L N -0.117 121.095 121.223 -0.018 0.000 2.017 333 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 333 L C 2.500 179.301 176.870 -0.116 0.000 1.073 333 L CA 1.997 56.805 54.840 -0.054 0.000 0.745 333 L CB -0.844 41.184 42.059 -0.052 0.000 0.894 333 L HN 0.317 nan 8.230 nan 0.000 0.432 334 K N -0.681 119.606 120.400 -0.188 0.000 2.209 334 K HA -0.101 4.219 4.320 -0.000 0.000 0.204 334 K C 1.894 178.289 176.600 -0.342 0.000 1.048 334 K CA 1.196 57.327 56.287 -0.260 0.000 0.940 334 K CB -0.529 31.755 32.500 -0.361 0.000 0.729 334 K HN 0.532 nan 8.250 nan 0.000 0.451 335 G N 1.643 110.279 108.800 -0.273 0.000 2.484 335 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.215 335 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.215 335 G C 1.432 176.139 174.900 -0.322 0.000 1.219 335 G CA 0.924 45.783 45.100 -0.402 0.000 0.791 335 G HN 0.377 nan 8.290 nan 0.000 0.550 336 M N 0.818 120.382 119.600 -0.059 0.000 2.358 336 M HA -0.044 4.436 4.480 -0.000 0.000 0.264 336 M C 2.356 178.656 176.300 -0.001 0.000 1.064 336 M CA 1.702 57.008 55.300 0.011 0.000 1.093 336 M CB -0.139 32.474 32.600 0.021 0.000 1.401 336 M HN 0.215 nan 8.290 nan 0.000 0.440 337 T N -1.186 113.321 114.554 -0.077 0.000 2.857 337 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 337 T C 1.372 176.038 174.700 -0.055 0.000 1.048 337 T CA 1.286 63.374 62.100 -0.020 0.000 1.139 337 T CB -0.499 68.329 68.868 -0.067 0.000 0.874 337 T HN 0.576 nan 8.240 nan 0.000 0.455 338 C N 1.620 120.786 119.300 -0.224 0.000 2.377 338 C HA 0.476 4.936 4.460 -0.000 0.000 0.341 338 C C 1.316 176.232 174.990 -0.124 0.000 1.304 338 C CA -0.226 58.652 59.018 -0.233 0.000 1.690 338 C CB -2.195 25.299 27.740 -0.410 0.000 1.808 338 C HN 0.331 nan 8.230 nan 0.000 0.592 339 L N -0.577 120.633 121.223 -0.021 0.000 2.692 339 L HA 0.278 4.618 4.340 -0.000 0.000 0.175 339 L C 1.632 178.549 176.870 0.079 0.000 1.112 339 L CA 0.813 55.705 54.840 0.086 0.000 0.908 339 L CB -1.093 41.071 42.059 0.174 0.000 1.672 339 L HN 0.407 nan 8.230 nan 0.000 0.500 340 Y N 0.314 120.609 120.300 -0.008 0.000 2.465 340 Y HA -0.133 4.417 4.550 -0.000 0.000 0.289 340 Y C 1.633 177.523 175.900 -0.017 0.000 1.150 340 Y CA 1.771 59.866 58.100 -0.009 0.000 1.293 340 Y CB -0.098 38.355 38.460 -0.012 0.000 0.977 340 Y HN 0.331 nan 8.280 nan 0.000 0.556 341 E N 0.660 120.617 120.200 -0.405 0.000 2.463 341 E HA 0.274 4.624 4.350 -0.000 0.000 0.193 341 E C -0.506 175.948 176.600 -0.243 0.000 1.041 341 E CA -0.056 56.055 56.400 -0.482 0.000 0.879 341 E CB -0.128 29.364 29.700 -0.348 0.000 0.997 341 E HN 0.529 nan 8.360 nan 0.000 0.478 342 L N 1.131 122.262 121.223 -0.153 0.000 2.357 342 L HA 0.334 4.674 4.340 -0.000 0.000 0.273 342 L C 0.495 177.301 176.870 -0.107 0.000 1.080 342 L CA -0.495 54.285 54.840 -0.100 0.000 0.803 342 L CB 1.248 43.286 42.059 -0.035 0.000 1.174 342 L HN -0.006 nan 8.230 nan 0.000 0.443 343 E N 2.763 122.898 120.200 -0.109 0.000 2.343 343 E HA 0.104 4.453 4.350 -0.000 0.000 0.269 343 E C -1.618 174.915 176.600 -0.113 0.000 1.047 343 E CA -1.587 54.746 56.400 -0.112 0.000 0.874 343 E CB 1.017 30.643 29.700 -0.124 0.000 1.033 343 E HN 0.346 nan 8.360 nan 0.000 0.409 344 P HA -0.311 nan 4.420 nan 0.000 0.218 344 P C 1.291 178.518 177.300 -0.122 0.000 1.154 344 P CA 1.492 64.529 63.100 -0.105 0.000 0.872 344 P CB 0.125 31.756 31.700 -0.115 0.000 0.790 345 Q N 0.006 119.667 119.800 -0.233 0.000 2.369 345 Q HA -0.133 4.206 4.340 -0.000 0.000 0.206 345 Q C 1.387 177.391 176.000 0.008 0.000 0.963 345 Q CA 1.505 57.182 55.803 -0.210 0.000 0.894 345 Q CB -0.744 27.644 28.738 -0.583 0.000 0.965 345 Q HN 0.325 nan 8.270 nan 0.000 0.475 346 E N 0.461 120.665 120.200 0.006 0.000 2.435 346 E HA 0.070 4.420 4.350 -0.000 0.000 0.195 346 E C -0.191 176.515 176.600 0.177 0.000 1.029 346 E CA -0.116 56.349 56.400 0.108 0.000 0.865 346 E CB 0.300 29.976 29.700 -0.040 0.000 0.833 346 E HN 0.167 nan 8.360 nan 0.000 0.510 347 L N 1.223 122.503 121.223 0.096 0.000 2.282 347 L HA 0.429 4.769 4.340 -0.000 0.000 0.288 347 L C -1.212 175.674 176.870 0.027 0.000 1.033 347 L CA -0.720 54.162 54.840 0.070 0.000 0.807 347 L CB 1.116 43.196 42.059 0.036 0.000 1.209 347 L HN -0.107 nan 8.230 nan 0.000 0.423 348 L N 4.702 125.906 121.223 -0.032 0.000 2.362 348 L HA 0.788 5.128 4.340 -0.000 0.000 0.275 348 L C -0.564 176.144 176.870 -0.270 0.000 0.998 348 L CA 0.134 54.885 54.840 -0.148 0.000 0.820 348 L CB 2.106 44.102 42.059 -0.105 0.000 1.270 348 L HN 0.821 nan 8.230 nan 0.000 0.415 349 S N 2.739 118.215 115.700 -0.374 0.000 2.566 349 S HA 0.815 5.285 4.470 -0.000 0.000 0.298 349 S C -0.959 173.260 174.600 -0.636 0.000 1.083 349 S CA -0.573 57.402 58.200 -0.375 0.000 0.978 349 S CB 1.529 64.573 63.200 -0.259 0.000 1.073 349 S HN 0.335 nan 8.310 nan 0.000 0.491 350 F N 0.386 120.232 119.950 -0.174 0.000 2.671 350 F HA 0.403 4.930 4.527 -0.000 0.000 0.332 350 F C 0.176 175.917 175.800 -0.097 0.000 1.189 350 F CA -0.435 57.491 58.000 -0.124 0.000 0.988 350 F CB 2.216 41.142 39.000 -0.123 0.000 1.258 350 F HN 0.555 nan 8.300 nan 0.000 0.471 351 T N 1.460 116.065 114.554 0.085 0.000 2.882 351 T HA 0.471 4.821 4.350 -0.000 0.000 0.287 351 T C -0.073 174.749 174.700 0.203 0.000 0.992 351 T CA -0.704 61.473 62.100 0.128 0.000 1.076 351 T CB 1.289 70.251 68.868 0.155 0.000 0.961 351 T HN 0.543 nan 8.240 nan 0.000 0.490 352 S N 1.483 117.315 115.700 0.219 0.000 2.454 352 S HA 0.364 4.834 4.470 -0.000 0.000 0.306 352 S C -0.558 174.277 174.600 0.391 0.000 1.100 352 S CA -0.903 57.442 58.200 0.243 0.000 1.087 352 S CB 0.653 63.927 63.200 0.124 0.000 1.019 352 S HN 0.742 nan 8.310 nan 0.000 0.480 353 W N 2.153 123.478 121.300 0.041 0.000 3.223 353 W HA 0.367 5.026 4.660 -0.000 0.000 0.389 353 W C 0.252 176.729 176.519 -0.069 0.000 1.118 353 W CA -2.019 55.334 57.345 0.012 0.000 1.902 353 W CB -1.079 28.477 29.460 0.160 0.000 1.094 353 W HN 0.583 nan 8.180 nan 0.000 0.666 354 C N 0.980 120.380 119.300 0.167 0.000 2.652 354 C HA 0.231 4.691 4.460 -0.000 0.000 0.412 354 C C 1.362 176.338 174.990 -0.024 0.000 1.294 354 C CA -0.304 58.766 59.018 0.086 0.000 2.127 354 C CB -0.028 27.760 27.740 0.081 0.000 2.691 354 C HN 0.451 nan 8.230 nan 0.000 0.615 355 R N 1.163 121.647 120.500 -0.025 0.000 3.333 355 R HA -0.189 4.151 4.340 -0.000 0.000 0.256 355 R C -0.049 176.157 176.300 -0.157 0.000 1.010 355 R CA 0.265 56.326 56.100 -0.064 0.000 0.680 355 R CB -1.606 28.668 30.300 -0.043 0.000 1.102 355 R HN 0.725 nan 8.270 nan 0.000 0.440 356 L N -1.163 119.882 121.223 -0.297 0.000 2.858 356 L HA 0.217 4.556 4.340 -0.000 0.000 0.251 356 L C 1.483 178.106 176.870 -0.411 0.000 1.149 356 L CA 0.680 55.235 54.840 -0.476 0.000 0.955 356 L CB 0.948 42.460 42.059 -0.912 0.000 1.289 356 L HN 0.660 nan 8.230 nan 0.000 0.542 357 G N -0.509 108.154 108.800 -0.228 0.000 2.141 357 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.242 357 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.242 357 G C 0.711 175.659 174.900 0.080 0.000 0.982 357 G CA 0.192 45.258 45.100 -0.058 0.000 0.662 357 G HN 0.311 nan 8.290 nan 0.000 0.527 358 F N -0.657 119.300 119.950 0.011 0.000 2.126 358 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 358 F C 2.336 178.067 175.800 -0.117 0.000 1.096 358 F CA 1.154 59.133 58.000 -0.035 0.000 1.255 358 F CB -0.160 38.849 39.000 0.015 0.000 0.997 358 F HN 0.316 nan 8.300 nan 0.000 0.479 359 Y N -0.307 120.131 120.300 0.229 0.000 2.553 359 Y HA -0.092 4.458 4.550 -0.000 0.000 0.303 359 Y C 1.101 177.032 175.900 0.052 0.000 1.194 359 Y CA 0.259 58.426 58.100 0.113 0.000 1.305 359 Y CB -0.348 38.172 38.460 0.100 0.000 1.045 359 Y HN 0.022 nan 8.280 nan 0.000 0.514 360 D N -0.683 119.796 120.400 0.133 0.000 2.407 360 D HA 0.118 4.758 4.640 -0.000 0.000 0.208 360 D C 0.132 176.420 176.300 -0.020 0.000 1.083 360 D CA 0.191 54.222 54.000 0.052 0.000 0.844 360 D CB 0.303 41.119 40.800 0.027 0.000 0.967 360 D HN 0.202 nan 8.370 nan 0.000 0.506 361 L N 1.956 123.161 121.223 -0.031 0.000 2.565 361 L HA 0.054 4.394 4.340 -0.000 0.000 0.275 361 L C 0.217 176.977 176.870 -0.184 0.000 1.137 361 L CA 0.366 55.111 54.840 -0.158 0.000 0.915 361 L CB 0.141 42.113 42.059 -0.145 0.000 1.232 361 L HN -0.218 nan 8.230 nan 0.000 0.473 362 D N 2.772 122.978 120.400 -0.323 0.000 2.481 362 D HA 0.178 4.818 4.640 -0.000 0.000 0.246 362 D C 0.266 176.221 176.300 -0.576 0.000 1.109 362 D CA -0.406 53.384 54.000 -0.350 0.000 0.845 362 D CB 1.199 41.874 40.800 -0.207 0.000 1.160 362 D HN 0.225 nan 8.370 nan 0.000 0.534 363 F N 1.455 120.915 119.950 -0.816 0.000 2.743 363 F HA 0.228 4.755 4.527 -0.000 0.000 0.297 363 F C 2.028 177.428 175.800 -0.667 0.000 1.131 363 F CA 0.707 58.172 58.000 -0.892 0.000 1.426 363 F CB 0.831 38.998 39.000 -1.389 0.000 1.116 363 F HN 0.659 nan 8.300 nan 0.000 0.583 364 G N -0.896 107.637 108.800 -0.445 0.000 2.370 364 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.174 364 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.174 364 G C 0.017 174.985 174.900 0.113 0.000 1.002 364 G CA -0.153 44.903 45.100 -0.072 0.000 0.730 364 G HN 0.436 nan 8.290 nan 0.000 0.497 365 W N 0.128 121.396 121.300 -0.053 0.000 1.578 365 W HA 0.629 5.289 4.660 -0.000 0.000 0.264 365 W C 0.630 177.156 176.519 0.010 0.000 0.867 365 W CA -0.915 56.407 57.345 -0.037 0.000 1.833 365 W CB 0.235 29.658 29.460 -0.061 0.000 1.008 365 W HN 1.366 nan 8.180 nan 0.000 0.460 366 G N 1.160 109.880 108.800 -0.133 0.000 2.459 366 G HA2 -0.018 3.941 3.960 -0.000 0.000 0.685 366 G HA3 -0.018 3.941 3.960 -0.000 0.000 0.685 366 G C -0.851 174.089 174.900 0.066 0.000 1.303 366 G CA -1.339 43.766 45.100 0.008 0.000 0.907 366 G HN 0.177 nan 8.290 nan 0.000 0.632 367 K N 0.735 121.206 120.400 0.118 0.000 2.090 367 K HA 0.558 4.877 4.320 -0.000 0.000 0.250 367 K C -2.204 174.453 176.600 0.094 0.000 1.004 367 K CA -1.381 54.989 56.287 0.139 0.000 0.919 367 K CB 0.828 33.381 32.500 0.089 0.000 1.045 367 K HN 0.318 nan 8.250 nan 0.000 0.471 368 P HA 0.000 nan 4.420 nan 0.000 0.274 368 P C 0.106 177.387 177.300 -0.031 0.000 1.231 368 P CA -0.352 62.478 63.100 -0.449 0.000 0.790 368 P CB 0.544 31.867 31.700 -0.629 0.000 0.951 369 L N 1.457 122.658 121.223 -0.037 0.000 2.131 369 L HA 0.065 4.405 4.340 -0.000 0.000 0.206 369 L C 0.502 177.516 176.870 0.241 0.000 1.087 369 L CA 1.876 56.772 54.840 0.093 0.000 0.767 369 L CB -0.515 41.570 42.059 0.044 0.000 0.917 369 L HN 0.595 nan 8.230 nan 0.000 0.441 370 S N -2.092 113.739 115.700 0.220 0.000 2.567 370 S HA 0.813 5.283 4.470 -0.000 0.000 0.270 370 S C -0.870 173.771 174.600 0.068 0.000 1.152 370 S CA -0.423 58.000 58.200 0.372 0.000 0.835 370 S CB 1.240 64.705 63.200 0.442 0.000 1.115 370 S HN 0.370 nan 8.310 nan 0.000 0.459 371 A N 0.652 123.500 122.820 0.046 0.000 2.355 371 A HA 0.865 5.184 4.320 -0.000 0.000 0.317 371 A C -0.410 177.146 177.584 -0.045 0.000 1.094 371 A CA -0.693 51.198 52.037 -0.243 0.000 0.764 371 A CB 0.755 19.540 19.000 -0.358 0.000 1.230 371 A HN 1.159 nan 8.150 nan 0.000 0.448 372 C N -0.356 118.775 119.300 -0.282 0.000 3.213 372 C HA 0.989 5.448 4.460 -0.000 0.000 0.319 372 C C 0.576 175.295 174.990 -0.452 0.000 1.386 372 C CA -0.261 58.576 59.018 -0.301 0.000 1.494 372 C CB 2.013 29.705 27.740 -0.080 0.000 1.905 372 C HN 1.060 nan 8.230 nan 0.000 0.456 373 T N -0.980 113.200 114.554 -0.624 0.000 2.654 373 T HA 0.653 5.003 4.350 -0.000 0.000 0.289 373 T C -0.651 174.054 174.700 0.009 0.000 1.062 373 T CA 0.011 61.953 62.100 -0.263 0.000 1.041 373 T CB 1.847 70.489 68.868 -0.377 0.000 1.417 373 T HN 0.782 nan 8.240 nan 0.000 0.510 374 T N 0.176 114.831 114.554 0.169 0.000 2.841 374 T HA 0.570 4.920 4.350 -0.000 0.000 0.276 374 T C -0.704 174.216 174.700 0.366 0.000 1.003 374 T CA -0.326 61.944 62.100 0.282 0.000 0.995 374 T CB 1.104 70.123 68.868 0.252 0.000 1.260 374 T HN 0.644 nan 8.240 nan 0.000 0.581 375 T N 2.576 117.326 114.554 0.327 0.000 2.751 375 T HA 0.235 4.585 4.350 -0.000 0.000 0.290 375 T C -0.369 174.403 174.700 0.120 0.000 0.919 375 T CA 0.057 62.304 62.100 0.244 0.000 1.136 375 T CB -0.735 68.234 68.868 0.168 0.000 0.875 375 T HN 0.384 nan 8.240 nan 0.000 0.532 376 F N 7.690 127.561 119.950 -0.131 0.000 2.494 376 F HA 0.272 4.799 4.527 -0.000 0.000 0.369 376 F C -1.575 174.041 175.800 -0.307 0.000 1.098 376 F CA -2.401 55.285 58.000 -0.522 0.000 1.154 376 F CB 0.901 39.737 39.000 -0.273 0.000 1.103 376 F HN 0.343 nan 8.300 nan 0.000 0.549 377 P HA 0.096 nan 4.420 nan 0.000 0.218 377 P C -1.235 175.909 177.300 -0.261 0.000 1.793 377 P CA 0.083 63.005 63.100 -0.297 0.000 0.941 377 P CB 0.031 31.579 31.700 -0.253 0.000 1.919 378 K N 1.155 121.488 120.400 -0.112 0.000 2.464 378 K HA 0.354 4.673 4.320 -0.000 0.000 0.253 378 K C 0.240 176.892 176.600 0.086 0.000 0.933 378 K CA -0.974 55.317 56.287 0.006 0.000 0.801 378 K CB 2.667 35.208 32.500 0.069 0.000 1.271 378 K HN 0.125 nan 8.250 nan 0.000 0.430 379 R N 1.871 122.404 120.500 0.054 0.000 2.585 379 R HA 0.006 4.346 4.340 -0.000 0.000 0.275 379 R C 0.208 176.530 176.300 0.037 0.000 1.018 379 R CA 0.313 56.445 56.100 0.053 0.000 1.072 379 R CB -0.034 30.297 30.300 0.052 0.000 0.953 379 R HN 0.619 nan 8.270 nan 0.000 0.419 380 N N -0.422 118.286 118.700 0.014 0.000 2.714 380 N HA -0.219 4.521 4.740 -0.000 0.000 0.250 380 N C -1.058 174.375 175.510 -0.128 0.000 1.117 380 N CA 1.424 54.439 53.050 -0.058 0.000 0.719 380 N CB -1.057 37.406 38.487 -0.040 0.000 1.081 380 N HN 0.692 nan 8.380 nan 0.000 0.557 381 A N -0.561 122.214 122.820 -0.075 0.000 2.736 381 A HA 0.732 5.052 4.320 -0.000 0.000 0.335 381 A C 0.762 178.205 177.584 -0.236 0.000 1.446 381 A CA 0.179 52.114 52.037 -0.170 0.000 1.028 381 A CB 0.234 19.186 19.000 -0.081 0.000 1.154 381 A HN 0.477 nan 8.150 nan 0.000 0.507 382 A N 2.046 124.651 122.820 -0.359 0.000 2.257 382 A HA 0.842 5.161 4.320 -0.000 0.000 0.289 382 A C -0.282 177.195 177.584 -0.180 0.000 1.095 382 A CA -0.339 51.527 52.037 -0.284 0.000 0.836 382 A CB 0.522 19.205 19.000 -0.528 0.000 1.111 382 A HN 0.778 nan 8.150 nan 0.000 0.497 383 L N 0.338 121.554 121.223 -0.011 0.000 2.431 383 L HA 0.447 4.787 4.340 -0.000 0.000 0.266 383 L C -1.132 175.814 176.870 0.127 0.000 0.978 383 L CA -0.334 54.475 54.840 -0.051 0.000 0.822 383 L CB 1.851 43.698 42.059 -0.354 0.000 1.310 383 L HN 0.570 nan 8.230 nan 0.000 0.409 384 L N 3.613 124.921 121.223 0.141 0.000 2.309 384 L HA 0.625 4.965 4.340 -0.000 0.000 0.282 384 L C -0.331 176.638 176.870 0.165 0.000 1.036 384 L CA -0.208 54.755 54.840 0.204 0.000 0.806 384 L CB 1.690 43.846 42.059 0.162 0.000 1.220 384 L HN 0.525 nan 8.230 nan 0.000 0.429 385 M N 1.419 121.174 119.600 0.258 0.000 2.518 385 M HA 0.359 4.838 4.480 -0.000 0.000 0.300 385 M C -1.146 175.352 176.300 0.329 0.000 1.175 385 M CA -0.941 54.546 55.300 0.312 0.000 0.890 385 M CB 2.433 35.239 32.600 0.343 0.000 1.710 385 M HN 0.436 nan 8.290 nan 0.000 0.453 386 D N 1.670 122.279 120.400 0.349 0.000 2.362 386 D HA 0.214 4.854 4.640 -0.000 0.000 0.238 386 D C -0.172 176.312 176.300 0.308 0.000 1.212 386 D CA 0.712 54.890 54.000 0.296 0.000 0.902 386 D CB 0.861 41.856 40.800 0.325 0.000 1.180 386 D HN 0.432 nan 8.370 nan 0.000 0.445 387 T N 0.300 114.923 114.554 0.114 0.000 2.944 387 T HA 0.187 4.537 4.350 -0.000 0.000 0.284 387 T C 1.395 175.810 174.700 -0.474 0.000 1.010 387 T CA -0.744 61.327 62.100 -0.049 0.000 1.025 387 T CB 1.767 70.626 68.868 -0.016 0.000 1.079 387 T HN 0.328 nan 8.240 nan 0.000 0.516 388 R N 1.092 121.144 120.500 -0.746 0.000 2.091 388 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 388 R C 1.961 178.003 176.300 -0.430 0.000 1.136 388 R CA 2.265 57.756 56.100 -1.016 0.000 0.959 388 R CB -0.646 29.344 30.300 -0.516 0.000 0.856 388 R HN 0.662 nan 8.270 nan 0.000 0.437 389 S N -0.879 114.680 115.700 -0.236 0.000 2.507 389 S HA 0.080 4.550 4.470 -0.000 0.000 0.235 389 S C 1.578 176.130 174.600 -0.079 0.000 0.988 389 S CA 0.675 58.805 58.200 -0.118 0.000 0.944 389 S CB 0.018 63.173 63.200 -0.076 0.000 0.762 389 S HN 0.707 nan 8.310 nan 0.000 0.526 390 G N 1.780 110.528 108.800 -0.087 0.000 2.377 390 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.250 390 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.250 390 G C -0.255 174.641 174.900 -0.005 0.000 1.039 390 G CA 0.409 45.492 45.100 -0.029 0.000 0.625 390 G HN 0.606 nan 8.290 nan 0.000 0.526 391 D N 1.255 121.649 120.400 -0.009 0.000 2.354 391 D HA 0.511 5.150 4.640 -0.000 0.000 0.247 391 D C 1.214 177.529 176.300 0.024 0.000 1.138 391 D CA 0.865 54.870 54.000 0.008 0.000 0.958 391 D CB 0.276 41.078 40.800 0.003 0.000 1.144 391 D HN 1.455 nan 8.370 nan 0.000 0.458 392 G N -1.211 107.614 108.800 0.041 0.000 2.907 392 G HA2 0.015 3.975 3.960 -0.000 0.000 0.242 392 G HA3 0.015 3.975 3.960 -0.000 0.000 0.242 392 G C -0.551 174.409 174.900 0.099 0.000 1.448 392 G CA -0.051 45.095 45.100 0.077 0.000 0.911 392 G HN 1.052 nan 8.290 nan 0.000 0.553 393 V N -0.632 119.378 119.914 0.159 0.000 2.888 393 V HA 0.761 4.881 4.120 -0.000 0.000 0.309 393 V C -0.311 175.980 176.094 0.328 0.000 1.114 393 V CA -0.552 61.858 62.300 0.184 0.000 0.940 393 V CB 1.966 33.832 31.823 0.072 0.000 1.021 393 V HN 0.973 nan 8.190 nan 0.000 0.426 394 E N 4.247 124.658 120.200 0.351 0.000 2.174 394 E HA 0.666 5.016 4.350 -0.000 0.000 0.282 394 E C -0.377 176.517 176.600 0.489 0.000 0.992 394 E CA -0.491 56.164 56.400 0.425 0.000 0.803 394 E CB 1.973 31.989 29.700 0.527 0.000 1.090 394 E HN 0.963 nan 8.360 nan 0.000 0.396 395 A N 3.899 127.016 122.820 0.495 0.000 2.256 395 A HA 0.301 4.621 4.320 -0.000 0.000 0.317 395 A C -1.325 176.525 177.584 0.443 0.000 1.318 395 A CA -0.635 51.697 52.037 0.492 0.000 0.894 395 A CB 0.092 19.394 19.000 0.503 0.000 1.165 395 A HN 0.578 nan 8.150 nan 0.000 0.525 396 W N 3.096 124.518 121.300 0.203 0.000 2.360 396 W HA 0.489 5.149 4.660 -0.000 0.000 0.344 396 W C -0.335 176.262 176.519 0.130 0.000 1.025 396 W CA -0.356 57.091 57.345 0.169 0.000 1.480 396 W CB 0.829 30.321 29.460 0.054 0.000 1.350 396 W HN 0.479 nan 8.180 nan 0.000 0.382 397 L N 7.625 129.051 121.223 0.338 0.000 2.276 397 L HA 0.615 4.955 4.340 -0.000 0.000 0.286 397 L C -2.484 174.507 176.870 0.203 0.000 1.024 397 L CA -2.494 52.460 54.840 0.190 0.000 0.826 397 L CB 0.908 42.999 42.059 0.053 0.000 1.211 397 L HN 0.018 nan 8.230 nan 0.000 0.422 398 P HA 0.475 nan 4.420 nan 0.000 0.296 398 P C -1.067 176.290 177.300 0.095 0.000 1.306 398 P CA -0.362 62.819 63.100 0.135 0.000 0.818 398 P CB 1.356 33.141 31.700 0.142 0.000 0.969 399 M N 1.341 121.002 119.600 0.103 0.000 2.618 399 M HA 0.589 5.069 4.480 -0.000 0.000 0.281 399 M C -0.312 176.038 176.300 0.083 0.000 1.267 399 M CA -1.185 54.167 55.300 0.087 0.000 0.845 399 M CB 2.569 35.225 32.600 0.093 0.000 1.732 399 M HN 0.236 nan 8.290 nan 0.000 0.461 400 A N 0.955 123.824 122.820 0.082 0.000 2.540 400 A HA 0.083 4.403 4.320 -0.000 0.000 0.239 400 A C 0.821 178.445 177.584 0.067 0.000 1.061 400 A CA 0.205 52.286 52.037 0.074 0.000 0.758 400 A CB -0.031 19.021 19.000 0.088 0.000 0.991 400 A HN 0.964 nan 8.150 nan 0.000 0.502 401 E N 1.422 121.655 120.200 0.054 0.000 2.049 401 E HA -0.272 4.078 4.350 -0.000 0.000 0.198 401 E C 1.189 177.815 176.600 0.042 0.000 1.007 401 E CA 1.757 58.185 56.400 0.047 0.000 0.809 401 E CB -0.155 29.566 29.700 0.035 0.000 0.749 401 E HN 0.950 nan 8.360 nan 0.000 0.450 402 D N 0.474 120.894 120.400 0.034 0.000 2.310 402 D HA -0.161 4.479 4.640 -0.000 0.000 0.212 402 D C 1.399 177.715 176.300 0.027 0.000 0.965 402 D CA 0.942 54.955 54.000 0.022 0.000 0.879 402 D CB -0.292 40.513 40.800 0.008 0.000 0.921 402 D HN 0.288 nan 8.370 nan 0.000 0.510 403 E N -0.646 119.582 120.200 0.046 0.000 2.102 403 E HA -0.012 4.338 4.350 -0.000 0.000 0.190 403 E C 1.973 178.611 176.600 0.063 0.000 0.971 403 E CA 0.353 56.788 56.400 0.058 0.000 0.821 403 E CB -0.127 29.626 29.700 0.088 0.000 0.777 403 E HN 0.120 nan 8.360 nan 0.000 0.460 404 M N 1.323 120.969 119.600 0.078 0.000 2.106 404 M HA -0.197 4.283 4.480 -0.000 0.000 0.259 404 M C 2.088 178.437 176.300 0.082 0.000 1.068 404 M CA 1.920 57.282 55.300 0.104 0.000 1.100 404 M CB -0.195 32.475 32.600 0.116 0.000 1.351 404 M HN 0.087 nan 8.290 nan 0.000 0.404 405 A N -0.384 122.467 122.820 0.053 0.000 2.019 405 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 405 A C 2.090 179.688 177.584 0.023 0.000 1.164 405 A CA 1.890 53.947 52.037 0.032 0.000 0.644 405 A CB -0.815 18.197 19.000 0.020 0.000 0.805 405 A HN 0.686 nan 8.150 nan 0.000 0.449 406 M N -0.718 118.897 119.600 0.025 0.000 2.506 406 M HA 0.095 4.575 4.480 -0.000 0.000 0.260 406 M C -0.319 175.985 176.300 0.008 0.000 1.104 406 M CA -0.091 55.218 55.300 0.015 0.000 1.112 406 M CB -0.259 32.352 32.600 0.018 0.000 1.401 406 M HN 0.171 nan 8.290 nan 0.000 0.473 407 L N 1.605 122.836 121.223 0.014 0.000 2.506 407 L HA 0.070 4.410 4.340 -0.000 0.000 0.281 407 L C -1.888 174.947 176.870 -0.059 0.000 1.228 407 L CA -1.199 53.629 54.840 -0.021 0.000 0.850 407 L CB -0.737 41.337 42.059 0.024 0.000 1.110 407 L HN -0.069 nan 8.230 nan 0.000 0.496 408 P HA 0.149 nan 4.420 nan 0.000 0.274 408 P C 0.964 178.199 177.300 -0.108 0.000 1.237 408 P CA -0.575 62.435 63.100 -0.150 0.000 0.793 408 P CB 0.540 32.084 31.700 -0.261 0.000 0.977 409 V N 1.331 121.208 119.914 -0.060 0.000 2.332 409 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 409 V C 2.200 178.280 176.094 -0.023 0.000 1.055 409 V CA 2.414 64.694 62.300 -0.033 0.000 1.038 409 V CB -1.785 30.024 31.823 -0.023 0.000 0.651 409 V HN 0.701 nan 8.190 nan 0.000 0.450 410 E N 0.590 120.780 120.200 -0.016 0.000 2.171 410 E HA -0.286 4.064 4.350 -0.000 0.000 0.197 410 E C 2.118 178.763 176.600 0.074 0.000 0.997 410 E CA 1.848 58.272 56.400 0.040 0.000 0.810 410 E CB -0.412 29.357 29.700 0.115 0.000 0.738 410 E HN 0.500 nan 8.360 nan 0.000 0.467 411 L N 0.844 122.090 121.223 0.038 0.000 2.084 411 L HA 0.067 4.407 4.340 -0.000 0.000 0.202 411 L C 2.303 179.297 176.870 0.207 0.000 1.074 411 L CA 1.251 56.172 54.840 0.136 0.000 0.757 411 L CB -0.452 41.604 42.059 -0.006 0.000 0.918 411 L HN 0.175 nan 8.230 nan 0.000 0.444 412 L N -0.276 121.026 121.223 0.132 0.000 2.127 412 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 412 L C 2.445 179.279 176.870 -0.061 0.000 1.089 412 L CA 1.492 56.381 54.840 0.082 0.000 0.757 412 L CB -0.682 41.391 42.059 0.023 0.000 0.899 412 L HN 0.502 nan 8.230 nan 0.000 0.434 413 S N -0.892 114.774 115.700 -0.057 0.000 2.515 413 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 413 S C 1.615 176.118 174.600 -0.161 0.000 0.987 413 S CA 0.354 58.491 58.200 -0.105 0.000 0.936 413 S CB -0.181 62.972 63.200 -0.078 0.000 0.766 413 S HN 0.213 nan 8.310 nan 0.000 0.528 414 L N 1.678 122.801 121.223 -0.167 0.000 2.492 414 L HA 0.310 4.650 4.340 -0.000 0.000 0.223 414 L C 0.597 177.247 176.870 -0.366 0.000 1.132 414 L CA -0.072 54.609 54.840 -0.264 0.000 0.850 414 L CB -1.025 40.821 42.059 -0.355 0.000 0.966 414 L HN 0.186 nan 8.230 nan 0.000 0.454 415 V N 1.356 120.973 119.914 -0.496 0.000 2.509 415 V HA -0.016 4.103 4.120 -0.000 0.000 0.297 415 V C 0.049 175.887 176.094 -0.427 0.000 1.014 415 V CA 0.089 62.003 62.300 -0.643 0.000 1.127 415 V CB 0.562 32.000 31.823 -0.643 0.000 0.925 415 V HN 0.276 nan 8.190 nan 0.000 0.480 416 D N 3.057 123.193 120.400 -0.440 0.000 2.649 416 D HA 0.464 5.104 4.640 -0.000 0.000 0.249 416 D C 0.409 176.404 176.300 -0.507 0.000 1.112 416 D CA -0.173 53.585 54.000 -0.405 0.000 0.850 416 D CB 2.163 42.742 40.800 -0.368 0.000 1.399 416 D HN 0.445 nan 8.370 nan 0.000 0.503 417 S N 2.039 117.473 115.700 -0.445 0.000 2.629 417 S HA 0.169 4.639 4.470 -0.000 0.000 0.236 417 S C 0.042 174.336 174.600 -0.511 0.000 1.010 417 S CA -0.635 57.302 58.200 -0.438 0.000 0.981 417 S CB 0.085 63.178 63.200 -0.179 0.000 0.919 417 S HN 0.389 nan 8.310 nan 0.000 0.514 418 D N 1.112 121.174 120.400 -0.562 0.000 2.359 418 D HA 0.363 5.003 4.640 -0.000 0.000 0.230 418 D C -0.752 175.229 176.300 -0.532 0.000 1.118 418 D CA -0.768 52.999 54.000 -0.387 0.000 0.844 418 D CB 0.392 41.047 40.800 -0.241 0.000 1.059 418 D HN 0.240 nan 8.370 nan 0.000 0.493 419 F N 1.828 121.713 119.950 -0.109 0.000 2.684 419 F HA 0.160 4.687 4.527 -0.000 0.000 0.298 419 F C 1.987 177.706 175.800 -0.135 0.000 1.120 419 F CA -0.336 57.604 58.000 -0.100 0.000 1.332 419 F CB 0.564 39.480 39.000 -0.139 0.000 0.986 419 F HN 0.277 nan 8.300 nan 0.000 0.524 420 S N -0.426 115.265 115.700 -0.015 0.000 2.539 420 S HA 0.164 4.634 4.470 -0.000 0.000 0.221 420 S C 0.649 175.226 174.600 -0.038 0.000 0.987 420 S CA -0.215 57.956 58.200 -0.049 0.000 0.929 420 S CB 0.040 63.200 63.200 -0.067 0.000 0.832 420 S HN 0.279 nan 8.310 nan 0.000 0.492 421 K N 0.000 120.379 120.400 -0.035 0.000 2.780 421 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 421 K CA 0.000 56.266 56.287 -0.035 0.000 0.838 421 K CB 0.000 32.465 32.500 -0.058 0.000 1.064 421 K HN 0.000 nan 8.250 nan 0.000 0.543