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 3e18_1_A DATA FIRST_RESID 1 DATA SEQUENCE LKKYQLVIVG YGGMGSYHVT LASAADNLEV HGVFDILAEK REAAAQKGLK DATA SEQUENCE IYESYEAVLA DEKVDAVLIA TPNDSHKELA ISALEAGKHV VCEKPVTMTS DATA SEQUENCE EDLLAIMDVA KRVNKHFMVH QNRRWDEDFL IIKEMFEQKT IGEMFHLESR DATA SEQUENCE VHGANGIPGD WRHLKAHGGG MVLDWGVHLL DQLLFLVDSN VKSVSANLSF DATA SEQUENCE ALGDEVDDGF VTFITFENGI TAQIEVGTTN FIKLPRWYVK GTEGTGIIHD DATA SEQUENCE WDLSGEIVKP TALAKTSEPT PIKAGQGLTK TMAPPSEEAT NTLSLPAPAK DATA SEQUENCE LAPSFYNNFV DVLNNTSEPI VQNEEVYQVL KLIEAIFEAA ETNRTVHS 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.836 176.870 -0.057 0.000 1.165 1 L CA 0.000 54.819 54.840 -0.035 0.000 0.813 1 L CB 0.000 42.046 42.059 -0.022 0.000 0.961 2 K N 4.271 124.623 120.400 -0.081 0.000 2.997 2 K HA 0.281 4.600 4.320 -0.001 0.000 0.249 2 K C -0.457 176.012 176.600 -0.217 0.000 1.284 2 K CA -0.417 55.779 56.287 -0.151 0.000 1.245 2 K CB 0.364 32.768 32.500 -0.161 0.000 1.670 2 K HN 0.379 nan 8.250 nan 0.000 0.385 3 K N 1.278 121.596 120.400 -0.138 0.000 2.276 3 K HA 0.139 4.458 4.320 -0.001 0.000 0.285 3 K C -0.516 176.024 176.600 -0.100 0.000 1.062 3 K CA -0.446 55.791 56.287 -0.083 0.000 0.918 3 K CB 0.541 33.040 32.500 -0.001 0.000 1.055 3 K HN 0.095 nan 8.250 nan 0.000 0.477 4 Y N 1.976 122.292 120.300 0.027 0.000 2.511 4 Y HA -0.048 4.502 4.550 -0.000 0.000 0.332 4 Y C 0.815 176.754 175.900 0.064 0.000 1.177 4 Y CA 0.189 58.315 58.100 0.044 0.000 1.422 4 Y CB 0.583 39.072 38.460 0.049 0.000 1.271 4 Y HN 0.282 nan 8.280 nan 0.000 0.550 5 Q N 3.933 123.863 119.800 0.217 0.000 2.314 5 Q HA 0.344 4.683 4.340 -0.001 0.000 0.259 5 Q C -1.151 174.944 176.000 0.158 0.000 0.951 5 Q CA -0.810 55.087 55.803 0.156 0.000 0.909 5 Q CB 2.171 30.905 28.738 -0.007 0.000 1.236 5 Q HN 0.619 nan 8.270 nan 0.000 0.444 6 L N 2.787 124.111 121.223 0.169 0.000 2.307 6 L HA 0.494 4.834 4.340 -0.001 0.000 0.284 6 L C -1.052 175.904 176.870 0.142 0.000 1.023 6 L CA -0.684 54.240 54.840 0.139 0.000 0.810 6 L CB 1.771 43.887 42.059 0.096 0.000 1.231 6 L HN 0.318 nan 8.230 nan 0.000 0.423 7 V N 5.982 125.964 119.914 0.114 0.000 2.435 7 V HA 0.399 4.519 4.120 -0.001 0.000 0.290 7 V C 0.073 176.231 176.094 0.106 0.000 1.030 7 V CA -0.712 61.666 62.300 0.129 0.000 0.881 7 V CB 1.628 33.485 31.823 0.056 0.000 0.983 7 V HN 0.503 nan 8.190 nan 0.000 0.445 8 I N 5.541 126.189 120.570 0.130 0.000 2.379 8 I HA 0.211 4.380 4.170 -0.001 0.000 0.290 8 I C 0.036 176.245 176.117 0.154 0.000 1.063 8 I CA 0.068 61.438 61.300 0.115 0.000 1.351 8 I CB 1.165 39.265 38.000 0.167 0.000 1.410 8 I HN 0.239 nan 8.210 nan 0.000 0.505 9 V N 5.382 125.361 119.914 0.109 0.000 2.313 9 V HA 0.719 4.839 4.120 -0.001 0.000 0.278 9 V C 0.498 176.614 176.094 0.036 0.000 1.017 9 V CA -0.500 61.879 62.300 0.131 0.000 0.823 9 V CB 0.903 32.794 31.823 0.114 0.000 1.010 9 V HN 1.056 nan 8.190 nan 0.000 0.443 10 G N 3.946 112.765 108.800 0.031 0.000 2.798 10 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.658 10 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.658 10 G C -0.867 174.081 174.900 0.079 0.000 1.148 10 G CA -0.714 44.386 45.100 -0.001 0.000 1.200 10 G HN 0.856 nan 8.290 nan 0.000 0.519 11 Y N 2.804 123.073 120.300 -0.052 0.000 2.832 11 Y HA 0.514 5.064 4.550 -0.001 0.000 0.372 11 Y C 1.125 177.029 175.900 0.006 0.000 1.238 11 Y CA 0.318 58.412 58.100 -0.011 0.000 1.713 11 Y CB -0.106 38.342 38.460 -0.019 0.000 1.809 11 Y HN 0.673 nan 8.280 nan 0.000 0.472 12 G N -0.180 108.560 108.800 -0.101 0.000 2.782 12 G HA2 0.339 4.299 3.960 -0.001 0.000 0.201 12 G HA3 0.339 4.299 3.960 -0.001 0.000 0.201 12 G C 1.145 175.965 174.900 -0.132 0.000 1.374 12 G CA -0.231 44.820 45.100 -0.082 0.000 1.039 12 G HN 0.479 nan 8.290 nan 0.000 0.576 13 G N -0.270 108.509 108.800 -0.035 0.000 2.514 13 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 13 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 13 G C 1.706 176.603 174.900 -0.005 0.000 1.198 13 G CA 1.857 46.936 45.100 -0.035 0.000 0.780 13 G HN 0.379 nan 8.290 nan 0.000 0.565 14 M N 1.281 120.920 119.600 0.065 0.000 2.287 14 M HA 0.252 4.731 4.480 -0.001 0.000 0.266 14 M C 2.521 178.960 176.300 0.231 0.000 1.079 14 M CA 1.448 56.846 55.300 0.162 0.000 1.146 14 M CB -0.754 31.966 32.600 0.201 0.000 1.374 14 M HN 0.152 nan 8.290 nan 0.000 0.435 15 G N -0.809 108.062 108.800 0.118 0.000 2.440 15 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.218 15 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.218 15 G C 1.556 176.473 174.900 0.028 0.000 1.154 15 G CA 1.405 46.558 45.100 0.088 0.000 0.767 15 G HN 0.605 nan 8.290 nan 0.000 0.552 16 S N -0.557 114.995 115.700 -0.246 0.000 2.399 16 S HA -0.148 4.321 4.470 -0.001 0.000 0.231 16 S C 2.178 176.780 174.600 0.003 0.000 1.022 16 S CA 1.343 59.332 58.200 -0.352 0.000 0.983 16 S CB -0.544 62.252 63.200 -0.672 0.000 0.803 16 S HN 0.431 nan 8.310 nan 0.000 0.480 17 Y N 2.168 122.416 120.300 -0.086 0.000 2.373 17 Y HA 0.033 4.583 4.550 -0.001 0.000 0.293 17 Y C 2.380 178.229 175.900 -0.085 0.000 1.129 17 Y CA 1.104 59.154 58.100 -0.083 0.000 1.226 17 Y CB -0.633 37.759 38.460 -0.114 0.000 1.000 17 Y HN 0.370 nan 8.280 nan 0.000 0.549 18 H N -1.139 117.859 119.070 -0.121 0.000 2.491 18 H HA -0.099 4.457 4.556 -0.001 0.000 0.290 18 H C 2.338 177.547 175.328 -0.198 0.000 1.050 18 H CA 1.379 57.315 56.048 -0.187 0.000 1.309 18 H CB -0.081 29.625 29.762 -0.094 0.000 1.392 18 H HN 0.275 nan 8.280 nan 0.000 0.554 19 V N 0.579 120.496 119.914 0.004 0.000 2.255 19 V HA -0.283 3.836 4.120 -0.001 0.000 0.247 19 V C 2.450 178.478 176.094 -0.110 0.000 1.051 19 V CA 2.342 64.636 62.300 -0.009 0.000 1.018 19 V CB -0.848 31.029 31.823 0.091 0.000 0.641 19 V HN 0.470 nan 8.190 nan 0.000 0.445 20 T N 0.344 114.801 114.554 -0.162 0.000 2.746 20 T HA -0.143 4.206 4.350 -0.001 0.000 0.267 20 T C 1.891 176.415 174.700 -0.294 0.000 1.039 20 T CA 1.620 63.596 62.100 -0.206 0.000 1.142 20 T CB -0.318 68.436 68.868 -0.191 0.000 0.866 20 T HN 0.278 nan 8.240 nan 0.000 0.444 21 L N 0.630 121.581 121.223 -0.455 0.000 2.005 21 L HA -0.055 4.285 4.340 -0.001 0.000 0.207 21 L C 3.099 179.762 176.870 -0.345 0.000 1.072 21 L CA 1.329 55.952 54.840 -0.363 0.000 0.744 21 L CB -0.684 41.150 42.059 -0.376 0.000 0.895 21 L HN 0.255 nan 8.230 nan 0.000 0.433 22 A N -0.839 121.635 122.820 -0.577 0.000 1.930 22 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 22 A C 2.448 179.804 177.584 -0.380 0.000 1.175 22 A CA 1.857 53.370 52.037 -0.874 0.000 0.627 22 A CB -0.538 17.973 19.000 -0.815 0.000 0.815 22 A HN 0.378 nan 8.150 nan 0.000 0.443 23 S N -0.099 115.462 115.700 -0.232 0.000 2.419 23 S HA -0.010 4.460 4.470 -0.001 0.000 0.233 23 S C 2.039 176.585 174.600 -0.091 0.000 1.016 23 S CA 0.969 59.095 58.200 -0.123 0.000 0.974 23 S CB -0.295 62.853 63.200 -0.086 0.000 0.786 23 S HN 0.776 nan 8.310 nan 0.000 0.492 24 A N 0.998 123.755 122.820 -0.105 0.000 2.167 24 A HA 0.526 4.846 4.320 -0.001 0.000 0.214 24 A C 1.126 178.693 177.584 -0.029 0.000 1.151 24 A CA 0.556 52.559 52.037 -0.057 0.000 0.735 24 A CB -0.428 18.539 19.000 -0.055 0.000 0.802 24 A HN 0.478 nan 8.150 nan 0.000 0.467 25 A N -0.078 122.718 122.820 -0.039 0.000 2.332 25 A HA 0.402 4.722 4.320 -0.001 0.000 0.258 25 A C 0.682 178.276 177.584 0.017 0.000 1.087 25 A CA -0.005 52.039 52.037 0.013 0.000 0.802 25 A CB 0.276 19.299 19.000 0.039 0.000 1.042 25 A HN 0.283 nan 8.150 nan 0.000 0.489 26 D N 0.441 120.862 120.400 0.036 0.000 2.077 26 D HA -0.080 4.559 4.640 -0.001 0.000 0.196 26 D C 0.111 176.434 176.300 0.039 0.000 0.986 26 D CA 1.465 55.484 54.000 0.033 0.000 0.829 26 D CB -0.009 40.812 40.800 0.034 0.000 0.983 26 D HN 0.550 nan 8.370 nan 0.000 0.453 27 N N 0.202 118.941 118.700 0.066 0.000 2.806 27 N HA 0.271 5.011 4.740 -0.001 0.000 0.315 27 N C -0.903 174.697 175.510 0.150 0.000 1.738 27 N CA -0.156 52.942 53.050 0.081 0.000 0.993 27 N CB 1.462 39.993 38.487 0.074 0.000 1.324 27 N HN 0.078 nan 8.380 nan 0.000 0.493 28 L N 0.586 121.874 121.223 0.109 0.000 2.526 28 L HA 0.398 4.738 4.340 -0.001 0.000 0.263 28 L C -1.113 175.788 176.870 0.053 0.000 0.943 28 L CA -0.474 54.444 54.840 0.130 0.000 0.859 28 L CB 1.893 44.022 42.059 0.116 0.000 1.313 28 L HN 0.216 nan 8.230 nan 0.000 0.406 29 E N 3.101 123.344 120.200 0.072 0.000 2.416 29 E HA 0.658 5.008 4.350 -0.001 0.000 0.273 29 E C -1.599 175.037 176.600 0.061 0.000 0.935 29 E CA -1.124 55.300 56.400 0.040 0.000 0.784 29 E CB 2.119 31.848 29.700 0.049 0.000 1.301 29 E HN 0.297 nan 8.360 nan 0.000 0.454 30 V N 2.429 122.366 119.914 0.037 0.000 2.389 30 V HA 0.037 4.157 4.120 -0.001 0.000 0.264 30 V C 0.634 176.796 176.094 0.114 0.000 1.049 30 V CA -0.069 62.272 62.300 0.067 0.000 0.932 30 V CB 0.150 31.994 31.823 0.034 0.000 1.011 30 V HN 0.796 nan 8.190 nan 0.000 0.475 31 H N 3.699 122.817 119.070 0.079 0.000 2.436 31 H HA 0.343 4.898 4.556 -0.001 0.000 0.294 31 H C 0.993 176.401 175.328 0.133 0.000 1.048 31 H CA 1.293 57.404 56.048 0.105 0.000 1.353 31 H CB 0.505 30.352 29.762 0.141 0.000 1.414 31 H HN 0.843 nan 8.280 nan 0.000 0.536 32 G N -1.551 107.395 108.800 0.244 0.000 2.323 32 G HA2 0.354 4.314 3.960 -0.001 0.000 0.291 32 G HA3 0.354 4.314 3.960 -0.001 0.000 0.291 32 G C -1.855 173.197 174.900 0.252 0.000 1.278 32 G CA -0.182 45.052 45.100 0.223 0.000 0.860 32 G HN 0.120 nan 8.290 nan 0.000 0.504 33 V N 0.237 120.308 119.914 0.262 0.000 2.760 33 V HA 0.716 4.836 4.120 -0.001 0.000 0.309 33 V C -1.433 174.859 176.094 0.330 0.000 1.077 33 V CA -0.593 61.823 62.300 0.192 0.000 0.910 33 V CB 1.806 33.587 31.823 -0.070 0.000 1.008 33 V HN 0.923 nan 8.190 nan 0.000 0.424 34 F N 3.860 123.901 119.950 0.152 0.000 2.520 34 F HA 0.757 5.283 4.527 -0.001 0.000 0.322 34 F C -0.613 175.248 175.800 0.101 0.000 1.103 34 F CA -0.353 57.733 58.000 0.143 0.000 0.926 34 F CB 1.679 40.780 39.000 0.167 0.000 1.154 34 F HN 0.572 nan 8.300 nan 0.000 0.453 35 D N 5.069 124.904 120.400 -0.941 0.000 2.645 35 D HA 0.220 4.859 4.640 -0.001 0.000 0.228 35 D C 0.521 176.118 176.300 -1.170 0.000 1.148 35 D CA -0.379 53.127 54.000 -0.824 0.000 0.860 35 D CB 2.531 43.169 40.800 -0.271 0.000 1.548 35 D HN 0.763 nan 8.370 nan 0.000 0.460 36 I N 1.906 122.066 120.570 -0.682 0.000 2.546 36 I HA -0.011 4.158 4.170 -0.001 0.000 0.255 36 I C 0.336 176.353 176.117 -0.167 0.000 1.163 36 I CA 0.705 61.811 61.300 -0.323 0.000 1.457 36 I CB 0.259 38.202 38.000 -0.096 0.000 1.092 36 I HN 0.238 nan 8.210 nan 0.000 0.434 37 L N 0.493 121.620 121.223 -0.160 0.000 2.292 37 L HA 0.283 4.622 4.340 -0.001 0.000 0.284 37 L C 1.467 178.294 176.870 -0.072 0.000 1.065 37 L CA -0.330 54.464 54.840 -0.078 0.000 0.806 37 L CB 1.364 43.395 42.059 -0.047 0.000 1.175 37 L HN 0.041 nan 8.230 nan 0.000 0.431 38 A N 2.348 125.150 122.820 -0.031 0.000 1.972 38 A HA -0.174 4.145 4.320 -0.001 0.000 0.219 38 A C 2.117 179.693 177.584 -0.012 0.000 1.169 38 A CA 1.514 53.542 52.037 -0.015 0.000 0.635 38 A CB -0.393 18.611 19.000 0.005 0.000 0.810 38 A HN 0.933 nan 8.150 nan 0.000 0.446 39 E N -0.139 120.058 120.200 -0.005 0.000 2.070 39 E HA -0.289 4.061 4.350 -0.001 0.000 0.197 39 E C 1.778 178.391 176.600 0.021 0.000 1.004 39 E CA 1.776 58.182 56.400 0.009 0.000 0.805 39 E CB -0.100 29.608 29.700 0.013 0.000 0.744 39 E HN 0.433 nan 8.360 nan 0.000 0.451 40 K N 0.233 120.646 120.400 0.020 0.000 2.228 40 K HA 0.034 4.354 4.320 -0.001 0.000 0.202 40 K C 2.218 178.824 176.600 0.010 0.000 1.051 40 K CA 0.647 56.980 56.287 0.076 0.000 0.960 40 K CB 0.045 32.599 32.500 0.090 0.000 0.743 40 K HN 0.075 nan 8.250 nan 0.000 0.458 41 R N 0.273 120.739 120.500 -0.058 0.000 2.075 41 R HA -0.088 4.251 4.340 -0.001 0.000 0.232 41 R C 1.938 178.186 176.300 -0.087 0.000 1.126 41 R CA 1.451 57.494 56.100 -0.096 0.000 0.963 41 R CB -0.137 30.128 30.300 -0.058 0.000 0.858 41 R HN 0.302 nan 8.270 nan 0.000 0.435 42 E N 0.635 120.810 120.200 -0.042 0.000 2.051 42 E HA -0.173 4.176 4.350 -0.001 0.000 0.192 42 E C 2.043 178.625 176.600 -0.029 0.000 0.991 42 E CA 1.242 57.624 56.400 -0.029 0.000 0.799 42 E CB -0.127 29.569 29.700 -0.007 0.000 0.748 42 E HN 0.337 nan 8.360 nan 0.000 0.449 43 A N 1.297 124.118 122.820 0.003 0.000 1.940 43 A HA -0.150 4.169 4.320 -0.001 0.000 0.219 43 A C 2.338 179.922 177.584 0.000 0.000 1.176 43 A CA 1.765 53.838 52.037 0.059 0.000 0.631 43 A CB -0.579 18.523 19.000 0.170 0.000 0.814 43 A HN 0.303 nan 8.150 nan 0.000 0.446 44 A N -0.364 122.299 122.820 -0.261 0.000 1.929 44 A HA 0.285 4.605 4.320 -0.001 0.000 0.216 44 A C 2.476 179.914 177.584 -0.243 0.000 1.176 44 A CA 1.677 53.374 52.037 -0.565 0.000 0.628 44 A CB -0.913 17.473 19.000 -1.022 0.000 0.816 44 A HN 1.003 nan 8.150 nan 0.000 0.444 45 A N -0.434 122.289 122.820 -0.162 0.000 1.933 45 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 45 A C 1.967 179.516 177.584 -0.059 0.000 1.175 45 A CA 1.507 53.486 52.037 -0.096 0.000 0.628 45 A CB -0.544 18.413 19.000 -0.072 0.000 0.814 45 A HN 0.626 nan 8.150 nan 0.000 0.444 46 Q N -0.635 119.142 119.800 -0.039 0.000 2.515 46 Q HA 0.016 4.355 4.340 -0.001 0.000 0.212 46 Q C 0.495 176.497 176.000 0.004 0.000 0.970 46 Q CA 0.494 56.290 55.803 -0.011 0.000 0.941 46 Q CB 0.040 28.780 28.738 0.005 0.000 0.998 46 Q HN 0.554 nan 8.270 nan 0.000 0.518 47 K N -0.549 119.850 120.400 -0.003 0.000 2.455 47 K HA 0.148 4.468 4.320 -0.001 0.000 0.206 47 K C 0.513 177.109 176.600 -0.005 0.000 1.027 47 K CA 0.292 56.591 56.287 0.019 0.000 1.113 47 K CB 1.163 33.706 32.500 0.072 0.000 0.850 47 K HN 0.246 nan 8.250 nan 0.000 0.503 48 G N 2.008 110.792 108.800 -0.027 0.000 2.176 48 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.252 48 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.252 48 G C -0.077 174.793 174.900 -0.050 0.000 1.024 48 G CA 0.064 45.143 45.100 -0.035 0.000 0.755 48 G HN 0.198 nan 8.290 nan 0.000 0.507 49 L N -0.147 121.034 121.223 -0.069 0.000 2.322 49 L HA 0.481 4.820 4.340 -0.001 0.000 0.279 49 L C 0.999 177.809 176.870 -0.099 0.000 1.036 49 L CA -1.029 53.763 54.840 -0.081 0.000 0.807 49 L CB 1.486 43.486 42.059 -0.098 0.000 1.226 49 L HN 0.099 nan 8.230 nan 0.000 0.433 50 K N 4.058 124.395 120.400 -0.105 0.000 2.448 50 K HA 0.273 4.593 4.320 -0.001 0.000 0.278 50 K C -0.720 175.816 176.600 -0.107 0.000 1.009 50 K CA -0.144 56.057 56.287 -0.144 0.000 0.995 50 K CB 0.470 32.842 32.500 -0.212 0.000 0.917 50 K HN 0.589 nan 8.250 nan 0.000 0.481 51 I N 1.311 121.802 120.570 -0.133 0.000 2.530 51 I HA 0.354 4.524 4.170 -0.001 0.000 0.297 51 I C -1.228 174.847 176.117 -0.069 0.000 1.011 51 I CA -1.153 60.127 61.300 -0.033 0.000 1.107 51 I CB 1.176 39.162 38.000 -0.024 0.000 1.285 51 I HN 0.411 nan 8.210 nan 0.000 0.436 52 Y N 2.855 123.243 120.300 0.147 0.000 2.387 52 Y HA 0.356 4.906 4.550 -0.000 0.000 0.330 52 Y C 1.192 177.242 175.900 0.251 0.000 1.133 52 Y CA -0.415 57.780 58.100 0.159 0.000 1.152 52 Y CB 1.490 40.032 38.460 0.136 0.000 1.215 52 Y HN 0.569 nan 8.280 nan 0.000 0.466 53 E N 0.658 121.033 120.200 0.291 0.000 2.299 53 E HA 0.000 4.350 4.350 -0.001 0.000 0.193 53 E C -0.026 176.744 176.600 0.285 0.000 0.998 53 E CA 0.521 57.075 56.400 0.256 0.000 0.851 53 E CB 0.193 29.973 29.700 0.134 0.000 0.795 53 E HN 0.538 nan 8.360 nan 0.000 0.492 54 S N -1.461 114.260 115.700 0.035 0.000 2.570 54 S HA 0.239 4.709 4.470 -0.001 0.000 0.270 54 S C 0.175 174.229 174.600 -0.909 0.000 1.149 54 S CA -0.823 57.160 58.200 -0.360 0.000 0.837 54 S CB 0.907 64.034 63.200 -0.121 0.000 1.124 54 S HN -0.008 nan 8.310 nan 0.000 0.465 55 Y N 1.219 120.720 120.300 -1.332 0.000 2.242 55 Y HA 0.024 4.574 4.550 -0.001 0.000 0.291 55 Y C 2.322 177.956 175.900 -0.443 0.000 1.137 55 Y CA 2.151 59.700 58.100 -0.918 0.000 1.181 55 Y CB -0.315 37.822 38.460 -0.539 0.000 0.989 55 Y HN 0.990 nan 8.280 nan 0.000 0.527 56 E N -0.139 119.857 120.200 -0.340 0.000 2.097 56 E HA -0.282 4.067 4.350 -0.001 0.000 0.196 56 E C 2.191 178.633 176.600 -0.262 0.000 1.000 56 E CA 1.356 57.591 56.400 -0.276 0.000 0.804 56 E CB -0.278 29.339 29.700 -0.139 0.000 0.740 56 E HN 0.541 nan 8.360 nan 0.000 0.454 57 A N 0.233 122.927 122.820 -0.211 0.000 1.968 57 A HA -0.081 4.238 4.320 -0.001 0.000 0.217 57 A C 2.352 179.840 177.584 -0.159 0.000 1.169 57 A CA 1.109 53.100 52.037 -0.077 0.000 0.638 57 A CB -0.368 18.686 19.000 0.090 0.000 0.812 57 A HN 0.215 nan 8.150 nan 0.000 0.446 58 V N 0.305 119.927 119.914 -0.487 0.000 2.295 58 V HA -0.245 3.875 4.120 -0.001 0.000 0.246 58 V C 2.473 178.271 176.094 -0.493 0.000 1.049 58 V CA 1.922 63.736 62.300 -0.810 0.000 1.024 58 V CB -0.710 30.659 31.823 -0.757 0.000 0.648 58 V HN 0.575 nan 8.190 nan 0.000 0.447 59 L N -0.091 120.833 121.223 -0.498 0.000 2.291 59 L HA -0.003 4.337 4.340 -0.001 0.000 0.214 59 L C 2.523 179.252 176.870 -0.234 0.000 1.120 59 L CA 1.166 55.772 54.840 -0.390 0.000 0.799 59 L CB -0.684 41.081 42.059 -0.490 0.000 0.925 59 L HN 0.370 nan 8.230 nan 0.000 0.446 60 A N -1.291 121.414 122.820 -0.191 0.000 2.119 60 A HA -0.103 4.217 4.320 -0.001 0.000 0.216 60 A C 0.851 178.396 177.584 -0.065 0.000 1.152 60 A CA 0.252 52.224 52.037 -0.107 0.000 0.708 60 A CB -0.269 18.685 19.000 -0.077 0.000 0.805 60 A HN 0.216 nan 8.150 nan 0.000 0.460 61 D N 0.520 120.882 120.400 -0.063 0.000 2.346 61 D HA 0.109 4.749 4.640 -0.001 0.000 0.260 61 D C 0.794 177.068 176.300 -0.044 0.000 1.252 61 D CA 0.119 54.118 54.000 -0.002 0.000 0.895 61 D CB 0.566 41.421 40.800 0.093 0.000 1.097 61 D HN 0.421 nan 8.370 nan 0.000 0.489 62 E N 2.261 122.445 120.200 -0.028 0.000 2.265 62 E HA -0.172 4.178 4.350 -0.001 0.000 0.196 62 E C 1.197 177.766 176.600 -0.051 0.000 0.996 62 E CA 0.786 57.164 56.400 -0.037 0.000 0.832 62 E CB 0.354 30.041 29.700 -0.022 0.000 0.756 62 E HN 0.319 nan 8.360 nan 0.000 0.491 63 K N -0.061 120.299 120.400 -0.066 0.000 2.365 63 K HA -0.000 4.319 4.320 -0.001 0.000 0.199 63 K C 0.113 176.555 176.600 -0.264 0.000 1.045 63 K CA 0.201 56.403 56.287 -0.142 0.000 0.962 63 K CB 0.426 32.846 32.500 -0.133 0.000 0.759 63 K HN -0.104 nan 8.250 nan 0.000 0.469 64 V N 2.271 122.058 119.914 -0.212 0.000 2.488 64 V HA -0.007 4.113 4.120 -0.001 0.000 0.277 64 V C 0.447 176.513 176.094 -0.047 0.000 1.046 64 V CA 0.090 62.288 62.300 -0.170 0.000 0.986 64 V CB 1.358 33.090 31.823 -0.151 0.000 0.989 64 V HN 0.206 nan 8.190 nan 0.000 0.475 65 D N 2.925 123.354 120.400 0.047 0.000 2.380 65 D HA 0.339 4.979 4.640 -0.001 0.000 0.212 65 D C 0.549 176.972 176.300 0.205 0.000 1.021 65 D CA 0.861 54.962 54.000 0.169 0.000 0.884 65 D CB 1.146 42.159 40.800 0.355 0.000 1.001 65 D HN 0.641 nan 8.370 nan 0.000 0.506 66 A N 0.553 123.483 122.820 0.183 0.000 2.594 66 A HA 0.573 4.893 4.320 -0.001 0.000 0.295 66 A C -1.010 176.655 177.584 0.136 0.000 1.071 66 A CA -0.706 51.468 52.037 0.229 0.000 0.685 66 A CB 1.758 20.988 19.000 0.383 0.000 1.285 66 A HN -0.029 nan 8.150 nan 0.000 0.405 67 V N -0.109 119.875 119.914 0.117 0.000 2.769 67 V HA 0.829 4.948 4.120 -0.001 0.000 0.312 67 V C -0.612 175.487 176.094 0.009 0.000 1.061 67 V CA -0.937 61.409 62.300 0.077 0.000 0.931 67 V CB 1.734 33.629 31.823 0.120 0.000 1.010 67 V HN 1.108 nan 8.190 nan 0.000 0.433 68 L N 5.481 126.683 121.223 -0.035 0.000 2.272 68 L HA 0.607 4.946 4.340 -0.001 0.000 0.289 68 L C -0.739 176.040 176.870 -0.152 0.000 1.032 68 L CA -0.364 54.377 54.840 -0.164 0.000 0.810 68 L CB 1.150 43.071 42.059 -0.229 0.000 1.205 68 L HN 0.803 nan 8.230 nan 0.000 0.422 69 I N 5.769 126.217 120.570 -0.204 0.000 2.291 69 I HA 0.280 4.449 4.170 -0.001 0.000 0.290 69 I C 0.573 176.531 176.117 -0.264 0.000 1.050 69 I CA 0.014 61.198 61.300 -0.194 0.000 1.245 69 I CB 1.489 39.382 38.000 -0.179 0.000 1.405 69 I HN 0.757 nan 8.210 nan 0.000 0.478 70 A N 4.689 127.414 122.820 -0.159 0.000 2.956 70 A HA 0.410 4.730 4.320 -0.001 0.000 0.294 70 A C 0.390 177.963 177.584 -0.019 0.000 0.993 70 A CA -0.430 51.554 52.037 -0.087 0.000 1.032 70 A CB -0.183 18.780 19.000 -0.062 0.000 1.129 70 A HN 0.628 nan 8.150 nan 0.000 0.505 71 T N -2.456 112.092 114.554 -0.009 0.000 2.912 71 T HA 0.682 5.032 4.350 -0.001 0.000 0.280 71 T C -2.860 171.725 174.700 -0.192 0.000 0.989 71 T CA -2.200 59.850 62.100 -0.084 0.000 0.995 71 T CB 0.895 69.714 68.868 -0.082 0.000 1.077 71 T HN 0.050 nan 8.240 nan 0.000 0.531 72 P HA 0.160 nan 4.420 nan 0.000 0.269 72 P C 0.619 177.426 177.300 -0.822 0.000 1.211 72 P CA -0.291 62.037 63.100 -1.287 0.000 0.781 72 P CB 0.349 31.124 31.700 -1.542 0.000 0.877 73 N N 1.401 119.623 118.700 -0.796 0.000 2.223 73 N HA -0.151 4.589 4.740 -0.001 0.000 0.185 73 N C 1.096 176.269 175.510 -0.563 0.000 1.016 73 N CA 1.273 53.843 53.050 -0.799 0.000 0.863 73 N CB -0.624 37.709 38.487 -0.256 0.000 0.983 73 N HN 0.599 nan 8.380 nan 0.000 0.429 74 D N 0.004 120.227 120.400 -0.294 0.000 2.269 74 D HA -0.051 4.589 4.640 -0.001 0.000 0.208 74 D C 1.179 177.403 176.300 -0.126 0.000 0.963 74 D CA 0.784 54.690 54.000 -0.158 0.000 0.864 74 D CB -0.320 40.420 40.800 -0.101 0.000 0.936 74 D HN 0.258 nan 8.370 nan 0.000 0.505 75 S N -0.918 114.691 115.700 -0.151 0.000 2.575 75 S HA 0.017 4.487 4.470 -0.001 0.000 0.215 75 S C 1.596 176.219 174.600 0.038 0.000 0.966 75 S CA -0.322 57.841 58.200 -0.061 0.000 0.911 75 S CB -0.756 62.398 63.200 -0.076 0.000 0.780 75 S HN 0.382 nan 8.310 nan 0.000 0.514 76 H N 1.621 120.659 119.070 -0.052 0.000 2.353 76 H HA -0.004 4.551 4.556 -0.001 0.000 0.300 76 H C 2.307 177.644 175.328 0.016 0.000 1.090 76 H CA 1.414 57.455 56.048 -0.012 0.000 1.327 76 H CB 0.024 29.802 29.762 0.026 0.000 1.383 76 H HN 0.367 nan 8.280 nan 0.000 0.508 77 K N 1.233 121.714 120.400 0.135 0.000 2.026 77 K HA -0.195 4.124 4.320 -0.001 0.000 0.208 77 K C 2.181 178.806 176.600 0.042 0.000 1.048 77 K CA 1.596 57.920 56.287 0.062 0.000 0.929 77 K CB 0.040 32.556 32.500 0.026 0.000 0.713 77 K HN 0.293 nan 8.250 nan 0.000 0.439 78 E N 0.608 120.829 120.200 0.035 0.000 2.047 78 E HA -0.175 4.174 4.350 -0.001 0.000 0.191 78 E C 2.150 178.788 176.600 0.064 0.000 0.987 78 E CA 1.017 57.438 56.400 0.034 0.000 0.799 78 E CB -0.033 29.679 29.700 0.020 0.000 0.752 78 E HN 0.322 nan 8.360 nan 0.000 0.449 79 L N 0.361 121.607 121.223 0.039 0.000 2.083 79 L HA -0.133 4.206 4.340 -0.001 0.000 0.209 79 L C 2.687 179.658 176.870 0.168 0.000 1.083 79 L CA 0.988 55.849 54.840 0.035 0.000 0.752 79 L CB -0.506 41.440 42.059 -0.189 0.000 0.899 79 L HN 0.209 nan 8.230 nan 0.000 0.433 80 A N 0.509 123.409 122.820 0.134 0.000 1.873 80 A HA -0.146 4.174 4.320 -0.001 0.000 0.215 80 A C 2.227 179.880 177.584 0.115 0.000 1.186 80 A CA 1.399 53.539 52.037 0.171 0.000 0.616 80 A CB -0.611 18.513 19.000 0.208 0.000 0.823 80 A HN 0.312 nan 8.150 nan 0.000 0.442 81 I N -0.181 120.423 120.570 0.057 0.000 2.226 81 I HA -0.229 3.940 4.170 -0.001 0.000 0.245 81 I C 2.690 178.833 176.117 0.044 0.000 1.100 81 I CA 1.384 62.697 61.300 0.023 0.000 1.374 81 I CB -0.311 37.688 38.000 -0.003 0.000 1.057 81 I HN 0.230 nan 8.210 nan 0.000 0.413 82 S N 0.762 116.512 115.700 0.085 0.000 2.370 82 S HA -0.225 4.244 4.470 -0.001 0.000 0.226 82 S C 2.237 176.858 174.600 0.034 0.000 1.033 82 S CA 1.549 59.798 58.200 0.082 0.000 1.011 82 S CB -0.383 62.934 63.200 0.196 0.000 0.852 82 S HN 0.568 nan 8.310 nan 0.000 0.457 83 A N 1.242 124.119 122.820 0.096 0.000 1.898 83 A HA 0.028 4.348 4.320 -0.001 0.000 0.216 83 A C 2.134 179.722 177.584 0.006 0.000 1.181 83 A CA 1.074 53.132 52.037 0.034 0.000 0.620 83 A CB -0.730 18.351 19.000 0.135 0.000 0.819 83 A HN 0.432 nan 8.150 nan 0.000 0.442 84 L N -0.402 120.845 121.223 0.040 0.000 1.989 84 L HA -0.227 4.113 4.340 -0.001 0.000 0.211 84 L C 2.689 179.540 176.870 -0.031 0.000 1.071 84 L CA 1.613 56.459 54.840 0.010 0.000 0.749 84 L CB -0.671 41.404 42.059 0.027 0.000 0.890 84 L HN 0.355 nan 8.230 nan 0.000 0.431 85 E N 0.218 120.402 120.200 -0.027 0.000 2.130 85 E HA -0.240 4.110 4.350 -0.001 0.000 0.196 85 E C 2.123 178.689 176.600 -0.057 0.000 0.998 85 E CA 1.480 57.856 56.400 -0.040 0.000 0.806 85 E CB -0.260 29.422 29.700 -0.031 0.000 0.738 85 E HN 0.515 nan 8.360 nan 0.000 0.459 86 A N 0.017 122.794 122.820 -0.072 0.000 2.239 86 A HA 0.193 4.512 4.320 -0.001 0.000 0.209 86 A C 1.605 179.131 177.584 -0.096 0.000 1.171 86 A CA 1.127 53.106 52.037 -0.096 0.000 0.768 86 A CB -0.292 18.623 19.000 -0.141 0.000 0.790 86 A HN 0.295 nan 8.150 nan 0.000 0.478 87 G N -1.255 107.488 108.800 -0.096 0.000 2.142 87 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.225 87 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.225 87 G C -0.167 174.634 174.900 -0.165 0.000 1.015 87 G CA 0.365 45.391 45.100 -0.123 0.000 0.716 87 G HN 0.421 nan 8.290 nan 0.000 0.508 88 K N 0.994 121.314 120.400 -0.134 0.000 2.221 88 K HA 0.589 4.908 4.320 -0.001 0.000 0.258 88 K C 0.560 177.114 176.600 -0.077 0.000 0.944 88 K CA -0.823 55.402 56.287 -0.103 0.000 0.823 88 K CB 0.599 33.077 32.500 -0.037 0.000 1.113 88 K HN 0.365 nan 8.250 nan 0.000 0.431 89 H N 0.516 119.656 119.070 0.117 0.000 2.757 89 H HA 0.223 4.778 4.556 -0.001 0.000 0.370 89 H C -0.296 175.166 175.328 0.223 0.000 1.172 89 H CA -0.031 56.136 56.048 0.198 0.000 1.426 89 H CB 0.748 30.645 29.762 0.226 0.000 1.438 89 H HN 0.084 nan 8.280 nan 0.000 0.612 90 V N 2.669 122.807 119.914 0.372 0.000 2.577 90 V HA 0.147 4.267 4.120 -0.001 0.000 0.303 90 V C -0.207 175.825 176.094 -0.104 0.000 1.042 90 V CA -0.777 61.624 62.300 0.168 0.000 0.872 90 V CB 2.178 34.178 31.823 0.295 0.000 0.998 90 V HN 0.422 nan 8.190 nan 0.000 0.423 91 V N 3.683 123.431 119.914 -0.276 0.000 2.398 91 V HA 0.448 4.568 4.120 -0.001 0.000 0.286 91 V C -0.140 175.725 176.094 -0.383 0.000 1.026 91 V CA -0.425 61.603 62.300 -0.454 0.000 0.868 91 V CB 1.574 33.064 31.823 -0.556 0.000 0.982 91 V HN 0.997 nan 8.190 nan 0.000 0.443 92 C N 5.103 124.135 119.300 -0.447 0.000 2.408 92 C HA 0.535 4.995 4.460 -0.001 0.000 0.321 92 C C 0.252 175.066 174.990 -0.293 0.000 1.245 92 C CA -0.667 58.139 59.018 -0.354 0.000 1.523 92 C CB 0.710 28.334 27.740 -0.193 0.000 2.178 92 C HN 0.912 nan 8.230 nan 0.000 0.488 93 E N 2.988 122.996 120.200 -0.320 0.000 2.436 93 E HA 0.106 4.456 4.350 -0.001 0.000 0.262 93 E C -0.056 176.522 176.600 -0.037 0.000 1.063 93 E CA 0.314 56.636 56.400 -0.130 0.000 0.944 93 E CB 0.715 30.382 29.700 -0.056 0.000 0.950 93 E HN 0.713 nan 8.360 nan 0.000 0.444 94 K N 2.389 122.798 120.400 0.014 0.000 2.258 94 K HA 0.272 4.592 4.320 -0.001 0.000 0.264 94 K C -2.389 174.269 176.600 0.098 0.000 1.007 94 K CA -1.566 54.728 56.287 0.012 0.000 0.941 94 K CB -0.688 31.724 32.500 -0.148 0.000 0.966 94 K HN 0.108 nan 8.250 nan 0.000 0.480 95 P HA -0.046 nan 4.420 nan 0.000 0.275 95 P C 0.848 178.285 177.300 0.228 0.000 1.227 95 P CA -0.546 62.610 63.100 0.094 0.000 0.781 95 P CB 0.970 32.711 31.700 0.068 0.000 0.906 96 V N 0.969 121.014 119.914 0.218 0.000 2.358 96 V HA -0.036 4.083 4.120 -0.001 0.000 0.246 96 V C 0.979 177.293 176.094 0.367 0.000 1.047 96 V CA 2.095 64.588 62.300 0.323 0.000 1.035 96 V CB -1.820 30.225 31.823 0.371 0.000 0.658 96 V HN 0.752 nan 8.190 nan 0.000 0.452 97 T N -4.424 110.259 114.554 0.215 0.000 2.841 97 T HA 0.622 4.972 4.350 -0.001 0.000 0.296 97 T C 0.057 174.804 174.700 0.078 0.000 1.166 97 T CA -0.572 61.606 62.100 0.130 0.000 1.007 97 T CB 2.016 70.942 68.868 0.097 0.000 1.253 97 T HN 0.037 nan 8.240 nan 0.000 0.511 98 M N 1.052 120.673 119.600 0.035 0.000 2.541 98 M HA 0.182 4.662 4.480 -0.001 0.000 0.252 98 M C 0.774 177.094 176.300 0.033 0.000 1.125 98 M CA 0.347 55.662 55.300 0.025 0.000 1.091 98 M CB 0.232 32.825 32.600 -0.013 0.000 1.420 98 M HN 0.928 nan 8.290 nan 0.000 0.486 99 T N -3.775 110.803 114.554 0.040 0.000 2.906 99 T HA 0.364 4.713 4.350 -0.001 0.000 0.295 99 T C 0.878 175.621 174.700 0.071 0.000 1.075 99 T CA -0.365 61.762 62.100 0.045 0.000 1.005 99 T CB 1.647 70.535 68.868 0.032 0.000 1.136 99 T HN 0.140 nan 8.240 nan 0.000 0.498 100 S N 0.418 116.161 115.700 0.071 0.000 2.387 100 S HA -0.090 4.379 4.470 -0.001 0.000 0.226 100 S C 1.539 176.286 174.600 0.245 0.000 1.026 100 S CA 0.568 58.848 58.200 0.133 0.000 0.972 100 S CB -0.580 62.602 63.200 -0.030 0.000 0.814 100 S HN 0.709 nan 8.310 nan 0.000 0.477 101 E N 1.833 122.128 120.200 0.158 0.000 2.110 101 E HA -0.125 4.224 4.350 -0.001 0.000 0.193 101 E C 1.624 178.263 176.600 0.065 0.000 0.988 101 E CA 1.210 57.681 56.400 0.117 0.000 0.804 101 E CB -0.570 29.172 29.700 0.071 0.000 0.745 101 E HN 0.567 nan 8.360 nan 0.000 0.458 102 D N 0.491 120.922 120.400 0.052 0.000 2.149 102 D HA -0.158 4.482 4.640 -0.001 0.000 0.198 102 D C 2.003 178.300 176.300 -0.005 0.000 0.990 102 D CA 0.547 54.559 54.000 0.019 0.000 0.839 102 D CB -0.215 40.598 40.800 0.022 0.000 0.948 102 D HN 0.119 nan 8.370 nan 0.000 0.460 103 L N 0.038 121.282 121.223 0.035 0.000 2.109 103 L HA -0.035 4.304 4.340 -0.001 0.000 0.207 103 L C 1.867 178.702 176.870 -0.058 0.000 1.086 103 L CA 1.091 55.926 54.840 -0.009 0.000 0.760 103 L CB -0.449 41.680 42.059 0.116 0.000 0.910 103 L HN -0.059 nan 8.230 nan 0.000 0.437 104 L N 0.107 121.317 121.223 -0.020 0.000 2.083 104 L HA -0.107 4.232 4.340 -0.001 0.000 0.209 104 L C 2.647 179.460 176.870 -0.096 0.000 1.083 104 L CA 1.942 56.718 54.840 -0.107 0.000 0.752 104 L CB -1.428 40.564 42.059 -0.111 0.000 0.899 104 L HN 0.377 nan 8.230 nan 0.000 0.433 105 A N -0.495 122.283 122.820 -0.071 0.000 1.877 105 A HA -0.208 4.111 4.320 -0.001 0.000 0.216 105 A C 2.301 179.819 177.584 -0.111 0.000 1.186 105 A CA 1.988 53.981 52.037 -0.074 0.000 0.620 105 A CB -0.734 18.236 19.000 -0.051 0.000 0.822 105 A HN 0.404 nan 8.150 nan 0.000 0.443 106 I N -0.898 119.569 120.570 -0.172 0.000 2.179 106 I HA -0.331 3.839 4.170 -0.001 0.000 0.242 106 I C 2.756 178.719 176.117 -0.257 0.000 1.088 106 I CA 1.746 62.877 61.300 -0.282 0.000 1.357 106 I CB -0.380 37.288 38.000 -0.554 0.000 1.051 106 I HN 0.356 nan 8.210 nan 0.000 0.409 107 M N 0.196 119.666 119.600 -0.217 0.000 2.108 107 M HA -0.260 4.220 4.480 -0.001 0.000 0.261 107 M C 1.851 178.105 176.300 -0.077 0.000 1.066 107 M CA 1.797 57.028 55.300 -0.114 0.000 1.107 107 M CB -0.534 32.013 32.600 -0.088 0.000 1.356 107 M HN 0.193 nan 8.290 nan 0.000 0.406 108 D N -0.052 120.298 120.400 -0.084 0.000 2.104 108 D HA -0.136 4.503 4.640 -0.001 0.000 0.194 108 D C 2.092 178.360 176.300 -0.054 0.000 0.994 108 D CA 1.355 55.318 54.000 -0.062 0.000 0.830 108 D CB -0.465 40.299 40.800 -0.060 0.000 0.959 108 D HN 0.156 nan 8.370 nan 0.000 0.452 109 V N 1.515 121.391 119.914 -0.063 0.000 2.287 109 V HA -0.258 3.862 4.120 -0.001 0.000 0.248 109 V C 2.561 178.630 176.094 -0.041 0.000 1.053 109 V CA 1.900 64.169 62.300 -0.051 0.000 1.027 109 V CB -0.908 30.882 31.823 -0.054 0.000 0.646 109 V HN 0.192 nan 8.190 nan 0.000 0.447 110 A N -0.439 122.359 122.820 -0.037 0.000 1.908 110 A HA -0.298 4.021 4.320 -0.001 0.000 0.218 110 A C 2.372 179.939 177.584 -0.027 0.000 1.181 110 A CA 2.337 54.371 52.037 -0.004 0.000 0.627 110 A CB -0.528 18.508 19.000 0.060 0.000 0.818 110 A HN 0.522 nan 8.150 nan 0.000 0.445 111 K N -0.560 119.823 120.400 -0.028 0.000 2.026 111 K HA -0.149 4.171 4.320 -0.001 0.000 0.208 111 K C 2.305 178.883 176.600 -0.037 0.000 1.048 111 K CA 1.460 57.727 56.287 -0.033 0.000 0.929 111 K CB -0.161 32.324 32.500 -0.025 0.000 0.713 111 K HN 0.446 nan 8.250 nan 0.000 0.439 112 R N 0.135 120.613 120.500 -0.036 0.000 2.096 112 R HA -0.095 4.245 4.340 -0.001 0.000 0.235 112 R C 2.098 178.376 176.300 -0.038 0.000 1.127 112 R CA 1.519 57.599 56.100 -0.034 0.000 0.968 112 R CB -0.129 30.152 30.300 -0.032 0.000 0.861 112 R HN 0.234 nan 8.270 nan 0.000 0.440 113 V N -1.698 118.190 119.914 -0.044 0.000 3.649 113 V HA 0.163 4.283 4.120 -0.001 0.000 0.275 113 V C 0.224 176.278 176.094 -0.066 0.000 1.281 113 V CA 0.064 62.333 62.300 -0.052 0.000 1.143 113 V CB -0.532 31.258 31.823 -0.055 0.000 0.892 113 V HN 0.406 nan 8.190 nan 0.000 0.441 114 N N 1.237 119.895 118.700 -0.070 0.000 2.727 114 N HA -0.181 4.559 4.740 -0.001 0.000 0.251 114 N C -0.386 175.047 175.510 -0.128 0.000 1.040 114 N CA 0.836 53.832 53.050 -0.091 0.000 0.712 114 N CB -0.912 37.539 38.487 -0.060 0.000 0.912 114 N HN 0.729 nan 8.380 nan 0.000 0.545 115 K N 0.464 120.781 120.400 -0.137 0.000 2.433 115 K HA 0.424 4.743 4.320 -0.001 0.000 0.252 115 K C -0.414 176.168 176.600 -0.029 0.000 1.015 115 K CA -0.586 55.635 56.287 -0.110 0.000 0.860 115 K CB 1.174 33.571 32.500 -0.172 0.000 1.359 115 K HN 0.238 nan 8.250 nan 0.000 0.452 116 H N 0.475 119.828 119.070 0.473 0.000 2.458 116 H HA 0.333 4.889 4.556 -0.001 0.000 0.330 116 H C -0.958 174.595 175.328 0.376 0.000 1.111 116 H CA -0.371 55.864 56.048 0.312 0.000 1.245 116 H CB 1.219 31.041 29.762 0.100 0.000 1.456 116 H HN 0.381 nan 8.280 nan 0.000 0.488 117 F N 3.515 123.638 119.950 0.288 0.000 2.507 117 F HA 0.443 4.970 4.527 -0.001 0.000 0.325 117 F C -0.974 174.954 175.800 0.213 0.000 1.116 117 F CA -0.807 57.324 58.000 0.218 0.000 0.930 117 F CB 1.280 40.360 39.000 0.134 0.000 1.146 117 F HN 0.428 nan 8.300 nan 0.000 0.447 118 M N 7.508 126.826 119.600 -0.470 0.000 2.327 118 M HA 0.706 5.185 4.480 -0.001 0.000 0.298 118 M C -1.611 174.427 176.300 -0.436 0.000 1.065 118 M CA -0.672 54.471 55.300 -0.262 0.000 0.916 118 M CB 1.614 34.199 32.600 -0.025 0.000 1.630 118 M HN 0.675 nan 8.290 nan 0.000 0.442 119 V N 3.547 123.366 119.914 -0.158 0.000 2.583 119 V HA 0.206 4.325 4.120 -0.001 0.000 0.287 119 V C -0.256 175.862 176.094 0.041 0.000 1.051 119 V CA -0.152 62.103 62.300 -0.075 0.000 1.010 119 V CB 0.671 32.523 31.823 0.048 0.000 0.988 119 V HN 0.977 nan 8.190 nan 0.000 0.478 120 H N 6.202 125.108 119.070 -0.275 0.000 3.045 120 H HA 0.202 4.757 4.556 -0.001 0.000 0.254 120 H C -0.449 174.648 175.328 -0.385 0.000 1.747 120 H CA -0.409 55.241 56.048 -0.663 0.000 1.444 120 H CB 0.254 29.659 29.762 -0.595 0.000 1.778 120 H HN 0.778 nan 8.280 nan 0.000 0.544 121 Q N 3.564 123.189 119.800 -0.290 0.000 3.181 121 Q HA -0.033 4.306 4.340 -0.001 0.000 0.293 121 Q C 1.109 177.027 176.000 -0.137 0.000 1.406 121 Q CA -0.314 55.404 55.803 -0.141 0.000 1.026 121 Q CB -0.084 28.644 28.738 -0.016 0.000 1.630 121 Q HN 0.768 nan 8.270 nan 0.000 0.553 122 N N 0.237 118.623 118.700 -0.522 0.000 2.381 122 N HA -0.168 4.572 4.740 -0.001 0.000 0.182 122 N C 0.950 176.463 175.510 0.005 0.000 1.025 122 N CA 0.682 53.478 53.050 -0.424 0.000 0.888 122 N CB 0.040 38.050 38.487 -0.794 0.000 0.965 122 N HN 0.258 nan 8.380 nan 0.000 0.438 123 R N 0.364 120.810 120.500 -0.089 0.000 2.313 123 R HA 0.205 4.545 4.340 -0.001 0.000 0.199 123 R C 1.657 177.993 176.300 0.060 0.000 0.958 123 R CA -0.024 56.039 56.100 -0.061 0.000 1.047 123 R CB 0.024 30.125 30.300 -0.332 0.000 0.955 123 R HN 0.308 nan 8.270 nan 0.000 0.481 124 R N -0.289 120.257 120.500 0.075 0.000 2.189 124 R HA -0.094 4.246 4.340 -0.001 0.000 0.223 124 R C 1.141 177.540 176.300 0.166 0.000 1.092 124 R CA 0.873 56.962 56.100 -0.018 0.000 0.989 124 R CB 0.088 30.151 30.300 -0.396 0.000 0.876 124 R HN 0.376 nan 8.270 nan 0.000 0.457 125 W N 1.200 122.594 121.300 0.156 0.000 3.290 125 W HA 0.083 4.743 4.660 -0.000 0.000 0.287 125 W C -0.321 176.310 176.519 0.187 0.000 1.288 125 W CA -0.659 56.789 57.345 0.172 0.000 1.725 125 W CB 0.134 29.655 29.460 0.101 0.000 1.103 125 W HN -0.047 nan 8.180 nan 0.000 0.670 126 D N 1.160 121.801 120.400 0.401 0.000 2.493 126 D HA -0.063 4.577 4.640 -0.001 0.000 0.240 126 D C 1.258 177.764 176.300 0.343 0.000 1.142 126 D CA 0.750 54.964 54.000 0.356 0.000 0.872 126 D CB 1.039 42.079 40.800 0.400 0.000 1.173 126 D HN 0.110 nan 8.370 nan 0.000 0.467 127 E N 1.766 122.127 120.200 0.269 0.000 2.077 127 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 127 E C 1.334 178.024 176.600 0.150 0.000 0.989 127 E CA 1.168 57.679 56.400 0.185 0.000 0.800 127 E CB 0.254 30.051 29.700 0.163 0.000 0.746 127 E HN 0.578 nan 8.360 nan 0.000 0.452 128 D N 0.386 120.935 120.400 0.248 0.000 2.123 128 D HA -0.238 4.401 4.640 -0.001 0.000 0.196 128 D C 1.993 178.313 176.300 0.033 0.000 0.992 128 D CA 0.981 55.101 54.000 0.200 0.000 0.833 128 D CB -0.799 40.246 40.800 0.408 0.000 0.954 128 D HN 0.292 nan 8.370 nan 0.000 0.455 129 F N 1.542 121.546 119.950 0.090 0.000 2.186 129 F HA 0.023 4.549 4.527 -0.001 0.000 0.299 129 F C 2.228 177.910 175.800 -0.197 0.000 1.090 129 F CA 0.784 58.738 58.000 -0.078 0.000 1.307 129 F CB -0.340 38.785 39.000 0.208 0.000 1.019 129 F HN -0.142 nan 8.300 nan 0.000 0.489 130 L N -0.162 120.870 121.223 -0.318 0.000 2.201 130 L HA -0.177 4.163 4.340 -0.001 0.000 0.212 130 L C 2.434 179.087 176.870 -0.362 0.000 1.105 130 L CA 0.892 55.488 54.840 -0.406 0.000 0.775 130 L CB -0.619 41.358 42.059 -0.136 0.000 0.913 130 L HN 0.186 nan 8.230 nan 0.000 0.440 131 I N -0.147 120.253 120.570 -0.284 0.000 2.163 131 I HA -0.319 3.850 4.170 -0.001 0.000 0.243 131 I C 2.385 178.275 176.117 -0.378 0.000 1.085 131 I CA 1.212 62.351 61.300 -0.268 0.000 1.347 131 I CB -0.235 37.648 38.000 -0.196 0.000 1.044 131 I HN 0.173 nan 8.210 nan 0.000 0.408 132 I N 0.861 121.080 120.570 -0.584 0.000 2.226 132 I HA -0.286 3.884 4.170 -0.001 0.000 0.245 132 I C 2.501 178.310 176.117 -0.513 0.000 1.100 132 I CA 1.588 62.502 61.300 -0.644 0.000 1.374 132 I CB -1.248 36.091 38.000 -1.101 0.000 1.057 132 I HN 0.306 nan 8.210 nan 0.000 0.413 133 K N 1.048 121.040 120.400 -0.680 0.000 2.057 133 K HA -0.254 4.065 4.320 -0.001 0.000 0.207 133 K C 2.093 178.518 176.600 -0.292 0.000 1.049 133 K CA 1.693 57.643 56.287 -0.562 0.000 0.931 133 K CB 0.040 32.074 32.500 -0.777 0.000 0.714 133 K HN 0.097 nan 8.250 nan 0.000 0.440 134 E N 0.769 120.802 120.200 -0.278 0.000 2.058 134 E HA -0.199 4.150 4.350 -0.001 0.000 0.194 134 E C 1.880 178.394 176.600 -0.143 0.000 0.997 134 E CA 1.945 58.238 56.400 -0.178 0.000 0.801 134 E CB -0.126 29.478 29.700 -0.160 0.000 0.746 134 E HN 0.325 nan 8.360 nan 0.000 0.450 135 M N -0.781 118.721 119.600 -0.162 0.000 2.108 135 M HA -0.098 4.382 4.480 -0.001 0.000 0.261 135 M C 2.070 178.308 176.300 -0.103 0.000 1.066 135 M CA 1.565 56.782 55.300 -0.137 0.000 1.107 135 M CB -0.404 32.098 32.600 -0.163 0.000 1.356 135 M HN 0.167 nan 8.290 nan 0.000 0.406 136 F N 1.212 121.017 119.950 -0.243 0.000 2.102 136 F HA -0.198 4.328 4.527 -0.001 0.000 0.298 136 F C 2.202 177.895 175.800 -0.179 0.000 1.105 136 F CA 1.844 59.715 58.000 -0.215 0.000 1.239 136 F CB -0.042 38.805 39.000 -0.256 0.000 0.991 136 F HN 0.112 nan 8.300 nan 0.000 0.474 137 E N -0.859 119.334 120.200 -0.012 0.000 2.112 137 E HA -0.154 4.196 4.350 -0.001 0.000 0.190 137 E C 1.838 178.367 176.600 -0.119 0.000 0.979 137 E CA 0.767 57.125 56.400 -0.070 0.000 0.814 137 E CB -0.088 29.582 29.700 -0.048 0.000 0.762 137 E HN 0.366 nan 8.360 nan 0.000 0.460 138 Q N 0.437 120.169 119.800 -0.113 0.000 2.403 138 Q HA 0.050 4.390 4.340 -0.001 0.000 0.203 138 Q C -0.183 175.747 176.000 -0.116 0.000 0.932 138 Q CA 0.232 55.973 55.803 -0.104 0.000 0.945 138 Q CB 0.290 28.974 28.738 -0.089 0.000 1.045 138 Q HN 0.178 nan 8.270 nan 0.000 0.511 139 K N -0.369 119.938 120.400 -0.154 0.000 3.077 139 K HA -0.195 4.125 4.320 -0.001 0.000 0.264 139 K C 0.696 177.224 176.600 -0.121 0.000 1.008 139 K CA 0.718 56.910 56.287 -0.159 0.000 0.740 139 K CB -1.903 30.511 32.500 -0.145 0.000 1.273 139 K HN 0.177 nan 8.250 nan 0.000 0.477 140 T N 0.430 114.914 114.554 -0.117 0.000 2.759 140 T HA -0.155 4.195 4.350 -0.001 0.000 0.269 140 T C 1.432 176.076 174.700 -0.093 0.000 1.042 140 T CA 1.655 63.696 62.100 -0.098 0.000 1.140 140 T CB -0.278 68.528 68.868 -0.103 0.000 0.864 140 T HN 0.667 nan 8.240 nan 0.000 0.455 141 I N -1.373 119.132 120.570 -0.108 0.000 3.637 141 I HA 0.622 4.791 4.170 -0.001 0.000 0.342 141 I C 0.940 177.006 176.117 -0.085 0.000 1.545 141 I CA -0.652 60.589 61.300 -0.099 0.000 1.126 141 I CB -0.567 37.358 38.000 -0.124 0.000 1.375 141 I HN 0.251 nan 8.210 nan 0.000 0.467 142 G N 2.209 110.960 108.800 -0.083 0.000 2.525 142 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.248 142 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.248 142 G C -0.409 174.427 174.900 -0.107 0.000 1.238 142 G CA -0.170 44.887 45.100 -0.070 0.000 0.926 142 G HN 0.615 nan 8.290 nan 0.000 0.574 143 E N 0.614 120.774 120.200 -0.067 0.000 2.166 143 E HA 0.313 4.662 4.350 -0.001 0.000 0.279 143 E C 0.645 177.223 176.600 -0.037 0.000 1.095 143 E CA -0.178 56.164 56.400 -0.095 0.000 0.888 143 E CB 0.767 30.449 29.700 -0.029 0.000 1.041 143 E HN 0.460 nan 8.360 nan 0.000 0.414 144 M N 4.701 124.193 119.600 -0.180 0.000 2.251 144 M HA 0.081 4.560 4.480 -0.001 0.000 0.346 144 M C -0.249 176.065 176.300 0.022 0.000 1.499 144 M CA 0.127 55.350 55.300 -0.129 0.000 1.128 144 M CB 0.118 32.681 32.600 -0.061 0.000 1.809 144 M HN 0.602 nan 8.290 nan 0.000 0.464 145 F N 2.170 122.152 119.950 0.054 0.000 2.728 145 F HA 0.401 4.928 4.527 -0.001 0.000 0.314 145 F C -0.377 175.540 175.800 0.195 0.000 1.094 145 F CA -0.615 57.447 58.000 0.104 0.000 1.217 145 F CB 0.021 39.068 39.000 0.079 0.000 1.056 145 F HN 0.604 nan 8.300 nan 0.000 0.577 146 H N 0.696 119.651 119.070 -0.193 0.000 3.042 146 H HA 0.681 5.237 4.556 -0.001 0.000 0.345 146 H C -2.119 173.167 175.328 -0.069 0.000 1.052 146 H CA -0.959 55.056 56.048 -0.056 0.000 1.311 146 H CB 1.502 31.245 29.762 -0.032 0.000 1.810 146 H HN 0.106 nan 8.280 nan 0.000 0.505 147 L N 4.101 125.026 121.223 -0.496 0.000 2.386 147 L HA 0.477 4.817 4.340 -0.001 0.000 0.271 147 L C -0.576 176.117 176.870 -0.294 0.000 0.993 147 L CA -0.447 54.254 54.840 -0.232 0.000 0.819 147 L CB 2.221 44.296 42.059 0.027 0.000 1.294 147 L HN 0.663 nan 8.230 nan 0.000 0.414 148 E N 1.167 121.319 120.200 -0.080 0.000 2.218 148 E HA 0.537 4.886 4.350 -0.001 0.000 0.263 148 E C -1.176 175.319 176.600 -0.174 0.000 0.879 148 E CA -0.502 55.840 56.400 -0.096 0.000 0.762 148 E CB 2.221 31.948 29.700 0.045 0.000 1.166 148 E HN 0.389 nan 8.360 nan 0.000 0.415 149 S N 3.874 119.350 115.700 -0.372 0.000 2.596 149 S HA 0.505 4.975 4.470 -0.001 0.000 0.318 149 S C -0.889 173.336 174.600 -0.625 0.000 1.097 149 S CA -0.677 57.047 58.200 -0.792 0.000 1.080 149 S CB 0.440 63.097 63.200 -0.905 0.000 0.991 149 S HN 0.441 nan 8.310 nan 0.000 0.471 150 R N 2.905 122.977 120.500 -0.714 0.000 2.575 150 R HA 0.597 4.936 4.340 -0.001 0.000 0.293 150 R C -1.604 174.273 176.300 -0.706 0.000 0.983 150 R CA -0.787 54.914 56.100 -0.664 0.000 0.887 150 R CB 2.244 32.075 30.300 -0.783 0.000 1.184 150 R HN 0.431 nan 8.270 nan 0.000 0.445 151 V N 3.756 123.312 119.914 -0.596 0.000 2.326 151 V HA 0.328 4.447 4.120 -0.001 0.000 0.281 151 V C -0.414 175.476 176.094 -0.340 0.000 1.015 151 V CA -0.603 61.337 62.300 -0.600 0.000 0.823 151 V CB 1.104 32.372 31.823 -0.924 0.000 1.009 151 V HN 0.749 nan 8.190 nan 0.000 0.436 152 H N 2.310 121.151 119.070 -0.382 0.000 2.529 152 H HA 0.841 5.396 4.556 -0.001 0.000 0.348 152 H C 0.298 175.488 175.328 -0.230 0.000 1.152 152 H CA -0.467 55.406 56.048 -0.291 0.000 1.202 152 H CB 2.598 32.214 29.762 -0.243 0.000 1.562 152 H HN 0.843 nan 8.280 nan 0.000 0.515 153 G N -0.472 108.258 108.800 -0.115 0.000 2.550 153 G HA2 0.468 4.428 3.960 -0.001 0.000 0.293 153 G HA3 0.468 4.428 3.960 -0.001 0.000 0.293 153 G C -1.576 173.177 174.900 -0.244 0.000 1.402 153 G CA -0.138 44.883 45.100 -0.131 0.000 0.784 153 G HN 0.646 nan 8.290 nan 0.000 0.482 154 A N 0.103 122.761 122.820 -0.270 0.000 3.129 154 A HA 0.543 4.862 4.320 -0.001 0.000 0.282 154 A C 0.268 177.695 177.584 -0.262 0.000 0.948 154 A CA -0.440 51.321 52.037 -0.461 0.000 1.027 154 A CB -0.130 18.304 19.000 -0.942 0.000 1.123 154 A HN 0.347 nan 8.150 nan 0.000 0.485 155 N N 0.545 119.152 118.700 -0.153 0.000 2.171 155 N HA 0.281 5.021 4.740 -0.001 0.000 0.212 155 N C 1.007 176.485 175.510 -0.053 0.000 1.184 155 N CA 1.059 54.066 53.050 -0.072 0.000 0.888 155 N CB 1.081 39.549 38.487 -0.032 0.000 1.038 155 N HN 0.880 nan 8.380 nan 0.000 0.517 156 G N 1.458 110.208 108.800 -0.084 0.000 2.598 156 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.244 156 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.244 156 G C -0.468 174.392 174.900 -0.067 0.000 1.302 156 G CA -0.487 44.577 45.100 -0.060 0.000 0.903 156 G HN 0.151 nan 8.290 nan 0.000 0.575 157 I N 3.263 123.770 120.570 -0.105 0.000 2.331 157 I HA 0.355 4.524 4.170 -0.001 0.000 0.292 157 I C -1.567 174.466 176.117 -0.140 0.000 0.998 157 I CA -1.795 59.367 61.300 -0.231 0.000 1.267 157 I CB 1.765 39.434 38.000 -0.551 0.000 1.386 157 I HN 0.359 nan 8.210 nan 0.000 0.476 158 P HA 0.320 nan 4.420 nan 0.000 0.277 158 P C 0.327 177.594 177.300 -0.055 0.000 1.240 158 P CA 0.335 63.406 63.100 -0.049 0.000 0.798 158 P CB 1.199 32.855 31.700 -0.072 0.000 0.979 159 G N 1.829 110.626 108.800 -0.004 0.000 2.562 159 G HA2 0.036 3.996 3.960 -0.001 0.000 0.250 159 G HA3 0.036 3.996 3.960 -0.001 0.000 0.250 159 G C -0.437 174.510 174.900 0.077 0.000 1.269 159 G CA 1.008 46.098 45.100 -0.017 0.000 0.919 159 G HN 1.161 nan 8.290 nan 0.000 0.574 160 D N -4.103 116.315 120.400 0.029 0.000 4.402 160 D HA -0.147 4.493 4.640 -0.001 0.000 0.220 160 D C 0.974 177.291 176.300 0.028 0.000 1.386 160 D CA 1.350 55.343 54.000 -0.011 0.000 1.094 160 D CB -1.489 39.280 40.800 -0.052 0.000 0.751 160 D HN 1.872 nan 8.370 nan 0.000 0.827 161 W N 0.282 121.586 121.300 0.006 0.000 2.387 161 W HA 0.026 4.686 4.660 -0.001 0.000 0.272 161 W C 1.461 178.029 176.519 0.082 0.000 1.224 161 W CA 0.967 58.287 57.345 -0.043 0.000 1.210 161 W CB -0.935 28.353 29.460 -0.286 0.000 1.125 161 W HN 0.305 nan 8.180 nan 0.000 0.572 162 R N 0.039 120.203 120.500 -0.559 0.000 2.285 162 R HA -0.088 4.252 4.340 -0.001 0.000 0.213 162 R C 1.814 178.012 176.300 -0.170 0.000 1.068 162 R CA 0.982 56.785 56.100 -0.494 0.000 1.004 162 R CB -0.490 29.363 30.300 -0.744 0.000 0.873 162 R HN 0.410 nan 8.270 nan 0.000 0.467 163 H N -0.550 118.480 119.070 -0.067 0.000 2.551 163 H HA 0.109 4.664 4.556 -0.001 0.000 0.266 163 H C 0.135 175.510 175.328 0.078 0.000 0.977 163 H CA 0.479 56.534 56.048 0.011 0.000 1.163 163 H CB 0.325 30.094 29.762 0.011 0.000 1.381 163 H HN 0.032 nan 8.280 nan 0.000 0.581 164 L N 0.687 122.051 121.223 0.234 0.000 2.346 164 L HA 0.205 4.545 4.340 -0.001 0.000 0.276 164 L C 1.297 178.268 176.870 0.168 0.000 1.006 164 L CA -0.575 54.398 54.840 0.221 0.000 0.817 164 L CB 2.546 44.797 42.059 0.320 0.000 1.272 164 L HN -0.171 nan 8.230 nan 0.000 0.421 165 K N 1.691 122.143 120.400 0.086 0.000 2.147 165 K HA -0.148 4.171 4.320 -0.001 0.000 0.205 165 K C 1.833 178.419 176.600 -0.022 0.000 1.049 165 K CA 1.456 57.757 56.287 0.023 0.000 0.936 165 K CB 0.012 32.502 32.500 -0.015 0.000 0.722 165 K HN 0.827 nan 8.250 nan 0.000 0.446 166 A N 1.064 123.838 122.820 -0.076 0.000 1.933 166 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 166 A C 1.359 178.754 177.584 -0.315 0.000 1.175 166 A CA 1.300 53.190 52.037 -0.245 0.000 0.628 166 A CB -0.431 18.332 19.000 -0.393 0.000 0.814 166 A HN 0.311 nan 8.150 nan 0.000 0.444 167 H N -1.266 117.851 119.070 0.079 0.000 2.520 167 H HA 0.306 4.861 4.556 -0.001 0.000 0.284 167 H C 1.286 176.705 175.328 0.152 0.000 1.037 167 H CA 0.311 56.413 56.048 0.091 0.000 1.168 167 H CB -0.251 29.648 29.762 0.228 0.000 1.497 167 H HN 0.603 nan 8.280 nan 0.000 0.547 168 G N 1.434 110.333 108.800 0.164 0.000 2.272 168 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.280 168 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.280 168 G C 0.785 175.820 174.900 0.226 0.000 1.067 168 G CA 0.239 45.422 45.100 0.138 0.000 0.902 168 G HN 0.676 nan 8.290 nan 0.000 0.500 169 G N -0.965 107.962 108.800 0.211 0.000 2.553 169 G HA2 0.876 4.835 3.960 -0.001 0.000 0.278 169 G HA3 0.876 4.835 3.960 -0.001 0.000 0.278 169 G C 0.927 175.867 174.900 0.067 0.000 1.349 169 G CA 0.752 45.924 45.100 0.121 0.000 1.037 169 G HN 2.142 nan 8.290 nan 0.000 0.508 170 G N -2.213 106.582 108.800 -0.007 0.000 2.707 170 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.686 170 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.686 170 G C 0.592 175.511 174.900 0.032 0.000 1.315 170 G CA 0.064 45.170 45.100 0.011 0.000 0.832 170 G HN 0.540 nan 8.290 nan 0.000 0.573 171 M N 0.389 120.025 119.600 0.060 0.000 2.349 171 M HA 0.012 4.492 4.480 -0.001 0.000 0.266 171 M C 2.847 179.256 176.300 0.181 0.000 1.076 171 M CA 1.313 56.710 55.300 0.161 0.000 1.126 171 M CB -1.074 31.651 32.600 0.208 0.000 1.392 171 M HN 0.496 nan 8.290 nan 0.000 0.440 172 V N 0.752 120.637 119.914 -0.048 0.000 2.287 172 V HA -0.263 3.856 4.120 -0.001 0.000 0.248 172 V C 2.404 178.398 176.094 -0.165 0.000 1.053 172 V CA 1.585 63.606 62.300 -0.465 0.000 1.027 172 V CB -0.701 30.645 31.823 -0.795 0.000 0.646 172 V HN 0.399 nan 8.190 nan 0.000 0.447 173 L N -0.391 120.833 121.223 0.001 0.000 2.313 173 L HA -0.056 4.284 4.340 -0.001 0.000 0.214 173 L C 2.134 179.006 176.870 0.004 0.000 1.119 173 L CA 1.055 55.918 54.840 0.038 0.000 0.809 173 L CB -0.342 41.789 42.059 0.120 0.000 0.933 173 L HN 0.405 nan 8.230 nan 0.000 0.449 174 D N -0.794 119.617 120.400 0.018 0.000 2.429 174 D HA -0.132 4.507 4.640 -0.001 0.000 0.242 174 D C 1.892 178.142 176.300 -0.084 0.000 1.076 174 D CA 1.133 55.107 54.000 -0.043 0.000 0.955 174 D CB -0.051 40.741 40.800 -0.013 0.000 1.076 174 D HN 0.130 nan 8.370 nan 0.000 0.448 175 W N 0.714 122.054 121.300 0.066 0.000 2.630 175 W HA 0.250 4.909 4.660 -0.001 0.000 0.271 175 W C 2.249 178.862 176.519 0.156 0.000 1.244 175 W CA 0.708 58.142 57.345 0.147 0.000 1.353 175 W CB -0.088 29.463 29.460 0.152 0.000 1.080 175 W HN 0.125 nan 8.180 nan 0.000 0.594 176 G N 0.091 109.142 108.800 0.418 0.000 2.469 176 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.219 176 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.219 176 G C 1.518 176.496 174.900 0.130 0.000 1.150 176 G CA 1.424 46.718 45.100 0.324 0.000 0.763 176 G HN 0.193 nan 8.290 nan 0.000 0.561 177 V N 0.328 120.242 119.914 0.000 0.000 2.332 177 V HA -0.218 3.902 4.120 -0.001 0.000 0.248 177 V C 2.567 178.647 176.094 -0.022 0.000 1.055 177 V CA 2.548 64.812 62.300 -0.060 0.000 1.038 177 V CB -0.605 31.141 31.823 -0.127 0.000 0.651 177 V HN 0.504 nan 8.190 nan 0.000 0.450 178 H N -0.006 119.085 119.070 0.035 0.000 2.319 178 H HA -0.078 4.477 4.556 -0.001 0.000 0.299 178 H C 2.255 177.623 175.328 0.066 0.000 1.092 178 H CA 2.277 58.339 56.048 0.023 0.000 1.302 178 H CB -0.378 29.405 29.762 0.034 0.000 1.373 178 H HN 0.412 nan 8.280 nan 0.000 0.497 179 L N 0.009 121.405 121.223 0.289 0.000 2.109 179 L HA -0.099 4.241 4.340 -0.001 0.000 0.207 179 L C 2.552 179.486 176.870 0.106 0.000 1.086 179 L CA 0.563 55.504 54.840 0.168 0.000 0.760 179 L CB -0.343 41.801 42.059 0.141 0.000 0.910 179 L HN 0.139 nan 8.230 nan 0.000 0.437 180 L N -0.352 120.937 121.223 0.111 0.000 2.156 180 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 180 L C 2.148 179.063 176.870 0.075 0.000 1.095 180 L CA 1.053 55.943 54.840 0.082 0.000 0.770 180 L CB -0.421 41.663 42.059 0.042 0.000 0.914 180 L HN 0.257 nan 8.230 nan 0.000 0.439 181 D N -0.273 120.160 120.400 0.055 0.000 2.097 181 D HA -0.211 4.429 4.640 -0.001 0.000 0.197 181 D C 2.217 178.532 176.300 0.025 0.000 0.984 181 D CA 1.217 55.242 54.000 0.041 0.000 0.826 181 D CB 0.133 40.942 40.800 0.015 0.000 0.973 181 D HN 0.211 nan 8.370 nan 0.000 0.460 182 Q N -0.591 119.154 119.800 -0.090 0.000 2.062 182 Q HA -0.204 4.135 4.340 -0.001 0.000 0.209 182 Q C 2.247 178.246 176.000 -0.003 0.000 0.996 182 Q CA 1.501 57.093 55.803 -0.350 0.000 0.859 182 Q CB -0.295 28.134 28.738 -0.515 0.000 0.920 182 Q HN 0.348 nan 8.270 nan 0.000 0.415 183 L N 0.004 121.285 121.223 0.096 0.000 2.046 183 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 183 L C 1.912 178.845 176.870 0.105 0.000 1.077 183 L CA 1.525 56.451 54.840 0.143 0.000 0.747 183 L CB -0.321 41.849 42.059 0.184 0.000 0.896 183 L HN 0.161 nan 8.230 nan 0.000 0.432 184 L N -1.527 119.790 121.223 0.155 0.000 2.240 184 L HA -0.095 4.244 4.340 -0.001 0.000 0.211 184 L C 2.162 179.126 176.870 0.156 0.000 1.106 184 L CA 1.294 56.234 54.840 0.167 0.000 0.793 184 L CB -1.016 41.152 42.059 0.181 0.000 0.927 184 L HN 0.327 nan 8.230 nan 0.000 0.446 185 F N -0.555 119.399 119.950 0.007 0.000 2.134 185 F HA -0.209 4.318 4.527 -0.001 0.000 0.299 185 F C 2.168 177.959 175.800 -0.014 0.000 1.097 185 F CA 1.320 59.325 58.000 0.009 0.000 1.264 185 F CB -0.324 38.682 39.000 0.010 0.000 1.001 185 F HN 0.080 nan 8.300 nan 0.000 0.479 186 L N 0.025 121.149 121.223 -0.164 0.000 2.044 186 L HA 0.061 4.401 4.340 -0.001 0.000 0.205 186 L C 0.477 176.986 176.870 -0.601 0.000 1.075 186 L CA 1.089 55.636 54.840 -0.487 0.000 0.747 186 L CB -0.505 41.285 42.059 -0.448 0.000 0.903 186 L HN -0.180 nan 8.230 nan 0.000 0.435 187 V N 1.113 120.744 119.914 -0.472 0.000 2.461 187 V HA 0.135 4.255 4.120 -0.001 0.000 0.275 187 V C -0.387 175.557 176.094 -0.251 0.000 1.047 187 V CA -0.456 61.562 62.300 -0.470 0.000 0.955 187 V CB 0.987 32.291 31.823 -0.865 0.000 0.988 187 V HN 0.234 nan 8.190 nan 0.000 0.471 188 D N 3.591 123.918 120.400 -0.122 0.000 2.639 188 D HA 0.391 5.031 4.640 -0.001 0.000 0.233 188 D C -0.242 176.055 176.300 -0.005 0.000 1.161 188 D CA 0.397 54.376 54.000 -0.035 0.000 1.003 188 D CB 0.322 41.122 40.800 -0.000 0.000 1.034 188 D HN 0.527 nan 8.370 nan 0.000 0.514 189 S N 1.861 117.565 115.700 0.006 0.000 2.543 189 S HA 0.343 4.813 4.470 -0.001 0.000 0.274 189 S C -1.175 173.590 174.600 0.276 0.000 1.149 189 S CA -0.942 57.325 58.200 0.111 0.000 0.866 189 S CB 0.646 63.899 63.200 0.090 0.000 1.111 189 S HN 0.215 nan 8.310 nan 0.000 0.457 190 N N 1.479 120.332 118.700 0.254 0.000 2.525 190 N HA 0.257 4.996 4.740 -0.001 0.000 0.271 190 N C -0.424 175.245 175.510 0.264 0.000 1.194 190 N CA -0.200 52.991 53.050 0.235 0.000 0.964 190 N CB 0.954 39.528 38.487 0.145 0.000 1.126 190 N HN 0.433 nan 8.380 nan 0.000 0.452 191 V N 2.716 122.695 119.914 0.109 0.000 2.529 191 V HA -0.009 4.111 4.120 -0.001 0.000 0.292 191 V C 1.743 177.803 176.094 -0.057 0.000 1.028 191 V CA 0.313 62.520 62.300 -0.156 0.000 1.074 191 V CB 0.909 32.599 31.823 -0.221 0.000 0.958 191 V HN 0.679 nan 8.190 nan 0.000 0.481 192 K N 2.707 123.067 120.400 -0.066 0.000 2.141 192 K HA 0.099 4.419 4.320 -0.001 0.000 0.202 192 K C 0.683 177.300 176.600 0.029 0.000 1.045 192 K CA 1.034 57.337 56.287 0.027 0.000 0.971 192 K CB 0.484 33.027 32.500 0.072 0.000 0.795 192 K HN 0.839 nan 8.250 nan 0.000 0.459 193 S N -0.709 114.964 115.700 -0.044 0.000 2.570 193 S HA 0.562 5.032 4.470 -0.001 0.000 0.270 193 S C -1.058 173.473 174.600 -0.115 0.000 1.149 193 S CA -0.970 57.181 58.200 -0.082 0.000 0.837 193 S CB 2.374 65.561 63.200 -0.023 0.000 1.124 193 S HN -0.127 nan 8.310 nan 0.000 0.465 194 V N 1.765 121.600 119.914 -0.132 0.000 2.733 194 V HA 0.811 4.931 4.120 -0.001 0.000 0.306 194 V C -0.335 175.724 176.094 -0.058 0.000 1.084 194 V CA -0.443 61.808 62.300 -0.082 0.000 0.905 194 V CB 1.629 33.393 31.823 -0.099 0.000 1.010 194 V HN 1.244 nan 8.190 nan 0.000 0.424 195 S N 2.620 118.332 115.700 0.019 0.000 2.566 195 S HA 1.014 5.484 4.470 -0.001 0.000 0.298 195 S C -0.497 174.136 174.600 0.054 0.000 1.083 195 S CA -0.205 58.009 58.200 0.023 0.000 0.978 195 S CB 2.455 65.678 63.200 0.037 0.000 1.073 195 S HN 1.901 nan 8.310 nan 0.000 0.491 196 A N 1.647 124.493 122.820 0.044 0.000 2.612 196 A HA 0.789 5.109 4.320 -0.001 0.000 0.293 196 A C -1.600 176.025 177.584 0.069 0.000 1.075 196 A CA -0.990 51.086 52.037 0.064 0.000 0.680 196 A CB 1.273 20.285 19.000 0.018 0.000 1.279 196 A HN 0.827 nan 8.150 nan 0.000 0.411 197 N N 0.679 119.433 118.700 0.090 0.000 2.260 197 N HA 0.552 5.291 4.740 -0.001 0.000 0.293 197 N C -1.468 174.100 175.510 0.096 0.000 1.058 197 N CA -0.401 52.701 53.050 0.088 0.000 0.824 197 N CB 2.047 40.575 38.487 0.067 0.000 1.551 197 N HN 0.572 nan 8.380 nan 0.000 0.475 198 L N 0.530 121.808 121.223 0.092 0.000 2.344 198 L HA 0.481 4.821 4.340 -0.001 0.000 0.272 198 L C 0.759 177.571 176.870 -0.097 0.000 1.035 198 L CA -0.725 54.109 54.840 -0.010 0.000 0.807 198 L CB 1.677 43.698 42.059 -0.064 0.000 1.237 198 L HN 0.413 nan 8.230 nan 0.000 0.442 199 S N 0.765 116.325 115.700 -0.234 0.000 2.462 199 S HA 0.541 5.011 4.470 -0.001 0.000 0.294 199 S C -0.514 173.826 174.600 -0.433 0.000 1.144 199 S CA -0.383 57.699 58.200 -0.197 0.000 1.088 199 S CB 0.256 63.379 63.200 -0.129 0.000 1.009 199 S HN 0.411 nan 8.310 nan 0.000 0.484 200 F N 3.253 123.226 119.950 0.037 0.000 2.841 200 F HA 0.423 4.949 4.527 -0.001 0.000 0.358 200 F C 1.402 177.217 175.800 0.025 0.000 1.261 200 F CA -0.464 57.556 58.000 0.034 0.000 1.233 200 F CB 0.067 39.090 39.000 0.037 0.000 1.008 200 F HN 0.737 nan 8.300 nan 0.000 0.507 201 A N -0.229 122.659 122.820 0.114 0.000 2.066 201 A HA 0.007 4.327 4.320 -0.001 0.000 0.218 201 A C 1.976 179.606 177.584 0.078 0.000 1.157 201 A CA 1.171 53.257 52.037 0.081 0.000 0.670 201 A CB -0.338 18.683 19.000 0.034 0.000 0.804 201 A HN 0.506 nan 8.150 nan 0.000 0.453 202 L N -1.644 119.625 121.223 0.078 0.000 2.418 202 L HA 0.151 4.490 4.340 -0.001 0.000 0.218 202 L C 1.733 178.667 176.870 0.107 0.000 1.125 202 L CA 0.668 55.556 54.840 0.079 0.000 0.835 202 L CB -0.176 41.918 42.059 0.058 0.000 0.953 202 L HN 0.572 nan 8.230 nan 0.000 0.454 203 G N -0.075 108.811 108.800 0.143 0.000 2.141 203 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.242 203 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.242 203 G C -0.008 174.978 174.900 0.144 0.000 0.982 203 G CA -0.099 45.080 45.100 0.132 0.000 0.662 203 G HN 0.291 nan 8.290 nan 0.000 0.527 204 D N 0.097 120.615 120.400 0.195 0.000 2.377 204 D HA 0.299 4.939 4.640 -0.001 0.000 0.245 204 D C 1.768 178.205 176.300 0.229 0.000 1.196 204 D CA 0.278 54.399 54.000 0.201 0.000 0.962 204 D CB 0.496 41.416 40.800 0.201 0.000 1.127 204 D HN 0.580 nan 8.370 nan 0.000 0.471 205 E N -0.857 119.447 120.200 0.173 0.000 2.358 205 E HA -0.026 4.323 4.350 -0.001 0.000 0.195 205 E C 0.821 177.570 176.600 0.250 0.000 1.010 205 E CA 0.319 56.799 56.400 0.133 0.000 0.856 205 E CB 0.109 29.854 29.700 0.076 0.000 0.795 205 E HN 0.207 nan 8.360 nan 0.000 0.504 206 V N 0.083 120.169 119.914 0.286 0.000 2.881 206 V HA 0.230 4.349 4.120 -0.001 0.000 0.316 206 V C -0.167 176.044 176.094 0.195 0.000 1.070 206 V CA -1.157 61.311 62.300 0.279 0.000 0.976 206 V CB 1.690 33.585 31.823 0.120 0.000 1.038 206 V HN 0.184 nan 8.190 nan 0.000 0.446 207 D N 1.333 121.695 120.400 -0.063 0.000 2.424 207 D HA 0.008 4.648 4.640 -0.001 0.000 0.244 207 D C -0.115 176.055 176.300 -0.217 0.000 1.134 207 D CA 0.382 54.086 54.000 -0.494 0.000 0.881 207 D CB 1.679 42.257 40.800 -0.370 0.000 1.191 207 D HN 0.898 nan 8.370 nan 0.000 0.445 208 D N 0.596 120.855 120.400 -0.235 0.000 2.369 208 D HA 0.316 4.956 4.640 -0.001 0.000 0.211 208 D C 0.683 176.927 176.300 -0.093 0.000 1.077 208 D CA -0.425 53.501 54.000 -0.124 0.000 0.842 208 D CB 0.647 41.389 40.800 -0.097 0.000 0.947 208 D HN 0.612 nan 8.370 nan 0.000 0.509 209 G N -0.641 108.110 108.800 -0.081 0.000 2.356 209 G HA2 0.467 4.426 3.960 -0.001 0.000 0.294 209 G HA3 0.467 4.426 3.960 -0.001 0.000 0.294 209 G C -1.674 173.273 174.900 0.078 0.000 1.423 209 G CA -0.872 44.214 45.100 -0.025 0.000 0.806 209 G HN 0.323 nan 8.290 nan 0.000 0.527 210 F N -2.005 117.870 119.950 -0.124 0.000 2.817 210 F HA 0.871 5.397 4.527 -0.001 0.000 0.317 210 F C -1.547 174.210 175.800 -0.072 0.000 1.168 210 F CA -1.389 56.544 58.000 -0.111 0.000 0.911 210 F CB 1.698 40.618 39.000 -0.132 0.000 1.337 210 F HN 0.968 nan 8.300 nan 0.000 0.464 211 V N 0.508 120.442 119.914 0.033 0.000 2.888 211 V HA 0.825 4.945 4.120 -0.001 0.000 0.309 211 V C -1.560 174.638 176.094 0.174 0.000 1.114 211 V CA 0.218 62.492 62.300 -0.042 0.000 0.940 211 V CB 2.087 33.889 31.823 -0.035 0.000 1.021 211 V HN 1.283 nan 8.190 nan 0.000 0.426 212 T N 5.257 119.910 114.554 0.166 0.000 2.909 212 T HA 0.657 5.007 4.350 -0.001 0.000 0.299 212 T C -1.847 172.951 174.700 0.164 0.000 1.073 212 T CA -0.327 61.875 62.100 0.170 0.000 0.999 212 T CB 1.354 70.321 68.868 0.164 0.000 1.098 212 T HN 0.713 nan 8.240 nan 0.000 0.477 213 F N 4.920 124.883 119.950 0.022 0.000 2.427 213 F HA 0.726 5.253 4.527 -0.001 0.000 0.348 213 F C -0.945 174.850 175.800 -0.008 0.000 1.125 213 F CA -0.926 57.093 58.000 0.031 0.000 0.989 213 F CB 0.864 39.892 39.000 0.047 0.000 1.165 213 F HN 0.486 nan 8.300 nan 0.000 0.442 214 I N 4.865 125.278 120.570 -0.262 0.000 2.441 214 I HA 0.417 4.587 4.170 -0.001 0.000 0.295 214 I C -0.508 175.431 176.117 -0.297 0.000 0.994 214 I CA -0.412 60.732 61.300 -0.261 0.000 1.144 214 I CB 2.196 39.997 38.000 -0.333 0.000 1.314 214 I HN 0.483 nan 8.210 nan 0.000 0.445 215 T N 5.253 119.680 114.554 -0.212 0.000 2.829 215 T HA 0.579 4.929 4.350 -0.001 0.000 0.280 215 T C -0.532 174.025 174.700 -0.237 0.000 0.999 215 T CA -0.423 61.627 62.100 -0.082 0.000 0.983 215 T CB 1.012 69.946 68.868 0.111 0.000 0.968 215 T HN 0.080 nan 8.240 nan 0.000 0.446 216 F N 1.026 121.020 119.950 0.074 0.000 2.450 216 F HA 0.365 4.892 4.527 -0.001 0.000 0.328 216 F C 1.919 177.767 175.800 0.080 0.000 1.068 216 F CA -0.895 57.148 58.000 0.071 0.000 1.007 216 F CB 0.869 39.911 39.000 0.071 0.000 1.251 216 F HN 0.527 nan 8.300 nan 0.000 0.492 217 E N 0.719 121.082 120.200 0.271 0.000 2.204 217 E HA -0.183 4.166 4.350 -0.001 0.000 0.195 217 E C 1.324 178.019 176.600 0.158 0.000 0.990 217 E CA 1.123 57.627 56.400 0.174 0.000 0.821 217 E CB -0.391 29.394 29.700 0.142 0.000 0.750 217 E HN 0.561 nan 8.360 nan 0.000 0.477 218 N N -0.206 118.605 118.700 0.185 0.000 2.383 218 N HA -0.004 4.736 4.740 -0.001 0.000 0.192 218 N C 1.190 176.785 175.510 0.143 0.000 1.141 218 N CA 0.947 54.078 53.050 0.134 0.000 0.851 218 N CB 0.473 39.022 38.487 0.103 0.000 0.976 218 N HN 0.161 nan 8.380 nan 0.000 0.465 219 G N -0.010 108.902 108.800 0.186 0.000 2.194 219 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.236 219 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.236 219 G C -0.040 175.006 174.900 0.244 0.000 0.987 219 G CA 0.035 45.240 45.100 0.176 0.000 0.635 219 G HN 0.374 nan 8.290 nan 0.000 0.520 220 I N 2.565 123.312 120.570 0.295 0.000 2.692 220 I HA 0.380 4.549 4.170 -0.001 0.000 0.284 220 I C 1.230 177.604 176.117 0.428 0.000 1.159 220 I CA 1.098 62.606 61.300 0.348 0.000 1.423 220 I CB 0.933 39.067 38.000 0.223 0.000 1.380 220 I HN 0.366 nan 8.210 nan 0.000 0.580 221 T N 2.883 117.650 114.554 0.355 0.000 2.924 221 T HA 0.877 5.227 4.350 -0.001 0.000 0.291 221 T C -0.668 174.019 174.700 -0.022 0.000 1.045 221 T CA -0.858 61.350 62.100 0.179 0.000 1.015 221 T CB 2.191 71.215 68.868 0.260 0.000 1.103 221 T HN 0.763 nan 8.240 nan 0.000 0.496 222 A N 1.274 123.884 122.820 -0.350 0.000 2.549 222 A HA 0.754 5.073 4.320 -0.001 0.000 0.297 222 A C -1.136 176.148 177.584 -0.501 0.000 1.061 222 A CA -0.895 50.925 52.037 -0.362 0.000 0.690 222 A CB 2.015 20.985 19.000 -0.050 0.000 1.287 222 A HN 0.966 nan 8.150 nan 0.000 0.402 223 Q N 1.655 121.267 119.800 -0.313 0.000 2.330 223 Q HA 0.618 4.958 4.340 -0.001 0.000 0.269 223 Q C -1.624 174.303 176.000 -0.121 0.000 1.022 223 Q CA -0.644 55.083 55.803 -0.128 0.000 0.796 223 Q CB 1.167 29.952 28.738 0.079 0.000 1.271 223 Q HN 0.643 nan 8.270 nan 0.000 0.450 224 I N 2.866 123.383 120.570 -0.089 0.000 2.474 224 I HA 0.494 4.663 4.170 -0.001 0.000 0.294 224 I C -0.476 175.474 176.117 -0.279 0.000 1.005 224 I CA -0.448 60.770 61.300 -0.137 0.000 1.113 224 I CB 1.606 39.613 38.000 0.011 0.000 1.289 224 I HN 0.797 nan 8.210 nan 0.000 0.436 225 E N 4.232 124.168 120.200 -0.441 0.000 2.343 225 E HA 0.676 5.026 4.350 -0.001 0.000 0.278 225 E C -1.986 174.221 176.600 -0.657 0.000 0.910 225 E CA -0.482 55.556 56.400 -0.603 0.000 0.757 225 E CB 2.926 32.450 29.700 -0.293 0.000 1.218 225 E HN 0.325 nan 8.360 nan 0.000 0.435 226 V N 1.980 121.392 119.914 -0.838 0.000 2.709 226 V HA 0.846 4.965 4.120 -0.001 0.000 0.308 226 V C -0.011 175.903 176.094 -0.300 0.000 1.062 226 V CA -0.390 61.640 62.300 -0.450 0.000 0.901 226 V CB 1.943 33.611 31.823 -0.259 0.000 1.003 226 V HN 0.737 nan 8.190 nan 0.000 0.425 227 G N 0.807 109.492 108.800 -0.191 0.000 2.682 227 G HA2 0.573 4.533 3.960 -0.001 0.000 0.300 227 G HA3 0.573 4.533 3.960 -0.001 0.000 0.300 227 G C -0.036 174.729 174.900 -0.226 0.000 1.391 227 G CA 0.211 45.160 45.100 -0.253 0.000 0.990 227 G HN 0.783 nan 8.290 nan 0.000 0.501 228 T N -2.351 112.080 114.554 -0.205 0.000 3.145 228 T HA 0.209 4.558 4.350 -0.001 0.000 0.281 228 T C 1.043 175.592 174.700 -0.250 0.000 1.003 228 T CA 0.625 62.612 62.100 -0.188 0.000 0.901 228 T CB 0.220 69.016 68.868 -0.119 0.000 1.112 228 T HN 0.778 nan 8.240 nan 0.000 0.535 229 T N -0.980 113.395 114.554 -0.299 0.000 3.339 229 T HA 0.369 4.719 4.350 -0.001 0.000 0.292 229 T C -0.427 174.009 174.700 -0.440 0.000 1.012 229 T CA -0.669 61.220 62.100 -0.352 0.000 0.937 229 T CB -0.512 68.251 68.868 -0.175 0.000 1.164 229 T HN 0.137 nan 8.240 nan 0.000 0.509 230 N N 1.148 119.564 118.700 -0.474 0.000 2.546 230 N HA 0.492 5.231 4.740 -0.001 0.000 0.238 230 N C -0.267 175.051 175.510 -0.320 0.000 0.984 230 N CA -0.835 51.998 53.050 -0.361 0.000 0.935 230 N CB 0.657 38.879 38.487 -0.441 0.000 1.122 230 N HN 0.114 nan 8.380 nan 0.000 0.510 231 F N 0.599 120.504 119.950 -0.074 0.000 2.661 231 F HA 0.239 4.765 4.527 -0.001 0.000 0.298 231 F C 0.528 176.308 175.800 -0.034 0.000 1.137 231 F CA 0.417 58.391 58.000 -0.044 0.000 1.454 231 F CB 0.115 39.094 39.000 -0.036 0.000 1.103 231 F HN 0.270 nan 8.300 nan 0.000 0.577 232 I N 0.006 120.635 120.570 0.097 0.000 2.498 232 I HA 0.242 4.412 4.170 -0.001 0.000 0.290 232 I C -0.608 175.531 176.117 0.037 0.000 1.032 232 I CA -0.944 60.390 61.300 0.056 0.000 1.073 232 I CB 2.034 40.064 38.000 0.051 0.000 1.251 232 I HN -0.248 nan 8.210 nan 0.000 0.426 233 K N 6.034 126.460 120.400 0.043 0.000 2.156 233 K HA 0.605 4.925 4.320 -0.001 0.000 0.271 233 K C -0.740 175.893 176.600 0.056 0.000 0.995 233 K CA -0.563 55.775 56.287 0.084 0.000 0.890 233 K CB 1.634 34.131 32.500 -0.005 0.000 1.073 233 K HN 0.414 nan 8.250 nan 0.000 0.454 234 L N 3.770 125.038 121.223 0.075 0.000 2.468 234 L HA 0.347 4.686 4.340 -0.001 0.000 0.254 234 L C -1.815 174.917 176.870 -0.229 0.000 1.171 234 L CA -2.168 52.611 54.840 -0.101 0.000 0.809 234 L CB 0.393 42.374 42.059 -0.130 0.000 1.155 234 L HN 0.444 nan 8.230 nan 0.000 0.473 235 P HA -0.014 nan 4.420 nan 0.000 0.268 235 P C -0.147 176.952 177.300 -0.336 0.000 1.208 235 P CA -0.192 62.800 63.100 -0.180 0.000 0.777 235 P CB 0.667 32.302 31.700 -0.109 0.000 0.875 236 R N 2.149 122.424 120.500 -0.375 0.000 2.083 236 R HA -0.081 4.259 4.340 -0.001 0.000 0.237 236 R C -0.153 175.775 176.300 -0.620 0.000 1.137 236 R CA 1.575 57.323 56.100 -0.587 0.000 0.951 236 R CB -0.354 29.578 30.300 -0.613 0.000 0.851 236 R HN 0.562 nan 8.270 nan 0.000 0.434 237 W N -1.593 119.583 121.300 -0.207 0.000 2.915 237 W HA 0.364 5.023 4.660 -0.001 0.000 0.337 237 W C -1.517 174.971 176.519 -0.052 0.000 1.102 237 W CA -0.912 56.356 57.345 -0.127 0.000 1.224 237 W CB 1.310 30.699 29.460 -0.118 0.000 1.416 237 W HN -0.108 nan 8.180 nan 0.000 0.503 238 Y N 4.091 124.446 120.300 0.091 0.000 2.332 238 Y HA 0.569 5.119 4.550 -0.001 0.000 0.325 238 Y C -1.230 174.692 175.900 0.038 0.000 1.054 238 Y CA -1.234 56.877 58.100 0.019 0.000 1.119 238 Y CB 1.007 39.453 38.460 -0.023 0.000 1.168 238 Y HN 0.289 nan 8.280 nan 0.000 0.439 239 V N 2.526 122.214 119.914 -0.376 0.000 2.823 239 V HA 0.730 4.849 4.120 -0.001 0.000 0.312 239 V C -1.298 174.529 176.094 -0.445 0.000 1.072 239 V CA -1.173 60.952 62.300 -0.293 0.000 0.937 239 V CB 2.091 33.819 31.823 -0.158 0.000 1.013 239 V HN 0.724 nan 8.190 nan 0.000 0.430 240 K N 2.169 122.326 120.400 -0.405 0.000 2.378 240 K HA 0.834 5.153 4.320 -0.001 0.000 0.252 240 K C -0.186 175.983 176.600 -0.718 0.000 0.931 240 K CA -0.329 55.646 56.287 -0.521 0.000 0.794 240 K CB 2.525 34.719 32.500 -0.510 0.000 1.181 240 K HN 1.187 nan 8.250 nan 0.000 0.425 241 G N -0.579 107.931 108.800 -0.482 0.000 2.733 241 G HA2 0.249 4.209 3.960 -0.001 0.000 0.288 241 G HA3 0.249 4.209 3.960 -0.001 0.000 0.288 241 G C 0.713 175.672 174.900 0.098 0.000 1.373 241 G CA -0.605 44.341 45.100 -0.257 0.000 0.895 241 G HN 0.533 nan 8.290 nan 0.000 0.479 242 T N -2.109 112.607 114.554 0.270 0.000 2.977 242 T HA 0.006 4.356 4.350 -0.001 0.000 0.271 242 T C 0.501 175.258 174.700 0.095 0.000 1.105 242 T CA 1.450 63.687 62.100 0.228 0.000 1.116 242 T CB 0.083 69.029 68.868 0.130 0.000 0.878 242 T HN 0.357 nan 8.240 nan 0.000 0.509 243 E N 0.969 121.191 120.200 0.036 0.000 3.858 243 E HA 0.505 4.854 4.350 -0.001 0.000 0.208 243 E C 0.494 177.079 176.600 -0.025 0.000 1.041 243 E CA -0.132 56.270 56.400 0.002 0.000 1.368 243 E CB 0.699 30.390 29.700 -0.015 0.000 1.176 243 E HN 0.650 nan 8.360 nan 0.000 0.448 244 G N 0.032 108.814 108.800 -0.029 0.000 2.359 244 G HA2 0.051 4.011 3.960 -0.001 0.000 0.303 244 G HA3 0.051 4.011 3.960 -0.001 0.000 0.303 244 G C -0.893 173.940 174.900 -0.112 0.000 1.293 244 G CA -0.789 44.276 45.100 -0.059 0.000 0.964 244 G HN 0.001 nan 8.290 nan 0.000 0.531 245 T N -0.449 114.024 114.554 -0.134 0.000 2.933 245 T HA 0.782 5.131 4.350 -0.001 0.000 0.305 245 T C 0.169 174.746 174.700 -0.206 0.000 1.092 245 T CA 0.149 62.114 62.100 -0.225 0.000 1.008 245 T CB 1.924 70.668 68.868 -0.208 0.000 1.102 245 T HN 1.728 nan 8.240 nan 0.000 0.469 246 G N 0.875 109.513 108.800 -0.270 0.000 2.533 246 G HA2 0.827 4.787 3.960 -0.001 0.000 0.304 246 G HA3 0.827 4.787 3.960 -0.001 0.000 0.304 246 G C -1.702 173.087 174.900 -0.186 0.000 1.263 246 G CA -0.649 44.334 45.100 -0.194 0.000 0.964 246 G HN 0.839 nan 8.290 nan 0.000 0.479 247 I N 0.410 120.905 120.570 -0.125 0.000 2.656 247 I HA 0.553 4.723 4.170 -0.001 0.000 0.292 247 I C -1.289 174.728 176.117 -0.167 0.000 1.144 247 I CA -1.206 60.025 61.300 -0.114 0.000 1.038 247 I CB 2.038 39.956 38.000 -0.137 0.000 1.244 247 I HN 0.338 nan 8.210 nan 0.000 0.420 248 I N 7.243 127.757 120.570 -0.093 0.000 2.411 248 I HA 0.296 4.466 4.170 -0.001 0.000 0.284 248 I C 0.783 176.830 176.117 -0.116 0.000 1.012 248 I CA -0.703 60.560 61.300 -0.061 0.000 1.119 248 I CB 1.367 39.424 38.000 0.095 0.000 1.261 248 I HN 0.645 nan 8.210 nan 0.000 0.448 249 H N 3.067 122.131 119.070 -0.011 0.000 2.326 249 H HA 0.015 4.571 4.556 -0.001 0.000 0.301 249 H C 0.063 175.297 175.328 -0.157 0.000 1.081 249 H CA 1.318 57.328 56.048 -0.064 0.000 1.334 249 H CB 0.397 30.136 29.762 -0.039 0.000 1.385 249 H HN 0.619 nan 8.280 nan 0.000 0.504 250 D N -3.003 117.380 120.400 -0.029 0.000 2.677 250 D HA 0.065 4.705 4.640 -0.001 0.000 0.298 250 D C -0.162 176.054 176.300 -0.140 0.000 1.250 250 D CA -0.688 53.204 54.000 -0.180 0.000 0.888 250 D CB 0.044 40.825 40.800 -0.032 0.000 1.397 250 D HN -0.066 nan 8.370 nan 0.000 0.461 251 W N 0.136 121.471 121.300 0.058 0.000 2.421 251 W HA -0.038 4.622 4.660 -0.000 0.000 0.270 251 W C 1.597 178.160 176.519 0.073 0.000 1.233 251 W CA 0.799 58.187 57.345 0.071 0.000 1.226 251 W CB -0.078 29.414 29.460 0.054 0.000 1.121 251 W HN 0.450 nan 8.180 nan 0.000 0.579 252 D N -0.299 120.246 120.400 0.241 0.000 2.371 252 D HA -0.123 4.517 4.640 -0.001 0.000 0.221 252 D C 1.153 177.533 176.300 0.134 0.000 0.986 252 D CA 0.706 54.805 54.000 0.165 0.000 0.899 252 D CB -0.425 40.446 40.800 0.119 0.000 0.902 252 D HN 0.027 nan 8.370 nan 0.000 0.530 253 L N -0.170 121.135 121.223 0.136 0.000 4.560 253 L HA -0.196 4.143 4.340 -0.001 0.000 0.415 253 L C 0.260 177.184 176.870 0.090 0.000 1.123 253 L CA 0.641 55.545 54.840 0.107 0.000 0.991 253 L CB -3.089 39.031 42.059 0.101 0.000 2.127 253 L HN 0.368 nan 8.230 nan 0.000 0.765 254 S N -1.085 114.683 115.700 0.114 0.000 2.572 254 S HA 0.715 5.184 4.470 -0.001 0.000 0.279 254 S C 0.740 175.469 174.600 0.214 0.000 1.341 254 S CA 0.421 58.710 58.200 0.148 0.000 1.043 254 S CB 2.098 65.384 63.200 0.143 0.000 0.887 254 S HN 1.602 nan 8.310 nan 0.000 0.516 255 G N 1.095 110.013 108.800 0.196 0.000 2.352 255 G HA2 0.451 4.410 3.960 -0.001 0.000 0.283 255 G HA3 0.451 4.410 3.960 -0.001 0.000 0.283 255 G C -1.507 173.418 174.900 0.041 0.000 1.308 255 G CA -0.253 44.897 45.100 0.083 0.000 0.892 255 G HN 1.239 nan 8.290 nan 0.000 0.504 256 E N -1.926 118.265 120.200 -0.015 0.000 2.435 256 E HA 0.693 5.042 4.350 -0.001 0.000 0.277 256 E C -1.725 174.850 176.600 -0.042 0.000 1.106 256 E CA -1.106 55.288 56.400 -0.010 0.000 0.868 256 E CB 1.567 31.281 29.700 0.022 0.000 1.454 256 E HN 0.642 nan 8.360 nan 0.000 0.452 257 I N 0.906 121.453 120.570 -0.039 0.000 2.545 257 I HA 0.450 4.620 4.170 -0.001 0.000 0.292 257 I C -1.116 174.979 176.117 -0.036 0.000 1.040 257 I CA -1.184 60.082 61.300 -0.056 0.000 1.068 257 I CB 2.273 40.234 38.000 -0.066 0.000 1.251 257 I HN 0.328 nan 8.210 nan 0.000 0.424 258 V N 5.805 125.695 119.914 -0.039 0.000 2.487 258 V HA 0.486 4.605 4.120 -0.001 0.000 0.298 258 V C -0.367 175.709 176.094 -0.030 0.000 1.028 258 V CA -0.767 61.520 62.300 -0.023 0.000 0.860 258 V CB 1.800 33.620 31.823 -0.005 0.000 0.991 258 V HN 0.638 nan 8.190 nan 0.000 0.427 259 K N 5.422 125.808 120.400 -0.023 0.000 2.328 259 K HA 0.610 4.930 4.320 -0.001 0.000 0.246 259 K C -2.805 173.789 176.600 -0.011 0.000 0.955 259 K CA -1.911 54.363 56.287 -0.023 0.000 0.817 259 K CB 2.746 35.229 32.500 -0.028 0.000 1.208 259 K HN 0.376 nan 8.250 nan 0.000 0.432 260 P HA 0.002 nan 4.420 nan 0.000 0.274 260 P C -0.502 176.795 177.300 -0.004 0.000 1.231 260 P CA -0.216 62.884 63.100 -0.001 0.000 0.790 260 P CB 0.844 32.546 31.700 0.004 0.000 0.951 261 T N -2.381 112.171 114.554 -0.003 0.000 2.923 261 T HA 0.530 4.880 4.350 -0.001 0.000 0.281 261 T C 1.331 176.029 174.700 -0.003 0.000 0.995 261 T CA -0.328 61.770 62.100 -0.004 0.000 0.985 261 T CB 0.751 69.617 68.868 -0.004 0.000 1.114 261 T HN 0.304 nan 8.240 nan 0.000 0.548 262 A N 0.064 122.881 122.820 -0.004 0.000 2.172 262 A HA 0.208 4.527 4.320 -0.001 0.000 0.216 262 A C 2.042 179.625 177.584 -0.002 0.000 1.154 262 A CA 0.630 52.665 52.037 -0.004 0.000 0.701 262 A CB -0.994 18.003 19.000 -0.005 0.000 0.789 262 A HN 0.788 nan 8.150 nan 0.000 0.465 263 L N -1.524 119.698 121.223 -0.002 0.000 2.558 263 L HA 0.079 4.419 4.340 -0.001 0.000 0.225 263 L C 2.689 179.560 176.870 0.001 0.000 1.128 263 L CA 0.488 55.327 54.840 -0.001 0.000 0.868 263 L CB -0.343 41.716 42.059 -0.001 0.000 1.006 263 L HN 0.363 nan 8.230 nan 0.000 0.454 264 A N 0.786 123.607 122.820 0.002 0.000 1.972 264 A HA -0.201 4.118 4.320 -0.001 0.000 0.219 264 A C 2.325 179.911 177.584 0.004 0.000 1.169 264 A CA 1.513 53.552 52.037 0.004 0.000 0.635 264 A CB -0.222 18.781 19.000 0.005 0.000 0.810 264 A HN 0.299 nan 8.150 nan 0.000 0.446 265 K N -0.665 119.736 120.400 0.003 0.000 2.148 265 K HA -0.085 4.235 4.320 -0.001 0.000 0.204 265 K C 1.766 178.368 176.600 0.002 0.000 1.050 265 K CA 1.677 57.965 56.287 0.002 0.000 0.942 265 K CB -0.129 32.371 32.500 0.001 0.000 0.724 265 K HN 0.704 nan 8.250 nan 0.000 0.446 266 T N -2.161 112.394 114.554 0.001 0.000 3.069 266 T HA 0.077 4.427 4.350 -0.001 0.000 0.252 266 T C 0.738 175.439 174.700 0.002 0.000 1.053 266 T CA -0.356 61.745 62.100 0.001 0.000 0.964 266 T CB 0.161 69.029 68.868 0.000 0.000 1.005 266 T HN 0.057 nan 8.240 nan 0.000 0.532 267 S N 0.368 116.070 115.700 0.003 0.000 2.687 267 S HA 0.678 5.147 4.470 -0.001 0.000 0.283 267 S C -0.881 173.721 174.600 0.004 0.000 1.170 267 S CA -0.746 57.456 58.200 0.003 0.000 1.008 267 S CB 1.891 65.093 63.200 0.004 0.000 1.026 267 S HN 0.359 nan 8.310 nan 0.000 0.541 268 E N 1.342 121.544 120.200 0.004 0.000 2.263 268 E HA 0.480 4.830 4.350 -0.001 0.000 0.268 268 E C -2.686 173.918 176.600 0.006 0.000 0.884 268 E CA -1.972 54.431 56.400 0.005 0.000 0.766 268 E CB 1.906 31.609 29.700 0.004 0.000 1.196 268 E HN 0.584 nan 8.360 nan 0.000 0.416 269 P HA 0.033 nan 4.420 nan 0.000 0.271 269 P C -0.545 176.759 177.300 0.006 0.000 1.218 269 P CA -0.432 62.672 63.100 0.007 0.000 0.780 269 P CB 0.539 32.245 31.700 0.009 0.000 0.901 270 T N 0.099 114.657 114.554 0.006 0.000 2.780 270 T HA 0.358 4.708 4.350 -0.001 0.000 0.294 270 T C -2.033 172.671 174.700 0.006 0.000 0.949 270 T CA -1.782 60.321 62.100 0.005 0.000 1.074 270 T CB -0.127 68.744 68.868 0.005 0.000 0.910 270 T HN 0.277 nan 8.240 nan 0.000 0.501 271 P HA 0.304 nan 4.420 nan 0.000 0.268 271 P C -0.386 176.917 177.300 0.005 0.000 1.208 271 P CA -0.381 62.722 63.100 0.005 0.000 0.777 271 P CB 0.483 32.186 31.700 0.004 0.000 0.875 272 I N -1.394 119.179 120.570 0.005 0.000 3.067 272 I HA 0.512 4.682 4.170 -0.001 0.000 0.312 272 I C 0.295 176.414 176.117 0.004 0.000 1.073 272 I CA -1.679 59.624 61.300 0.005 0.000 1.016 272 I CB 1.189 39.192 38.000 0.005 0.000 1.227 272 I HN 0.031 nan 8.210 nan 0.000 0.456 273 K N 2.362 122.764 120.400 0.003 0.000 2.338 273 K HA 0.582 4.902 4.320 -0.001 0.000 0.290 273 K C -0.696 175.906 176.600 0.003 0.000 1.069 273 K CA 0.029 56.318 56.287 0.002 0.000 0.941 273 K CB 0.497 32.998 32.500 0.002 0.000 1.023 273 K HN 0.775 nan 8.250 nan 0.000 0.477 274 A N 4.770 127.592 122.820 0.003 0.000 2.316 274 A HA 0.616 4.936 4.320 -0.001 0.000 0.324 274 A C 0.771 178.356 177.584 0.001 0.000 1.375 274 A CA -0.026 52.013 52.037 0.002 0.000 0.882 274 A CB 0.105 19.107 19.000 0.004 0.000 1.152 274 A HN 1.027 nan 8.150 nan 0.000 0.512 275 G N 1.670 110.471 108.800 0.000 0.000 2.596 275 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.304 275 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.304 275 G C 0.734 175.634 174.900 -0.000 0.000 1.189 275 G CA 0.615 45.715 45.100 -0.000 0.000 0.986 275 G HN 0.696 nan 8.290 nan 0.000 0.548 276 Q N 1.999 121.799 119.800 -0.000 0.000 2.403 276 Q HA 0.323 4.662 4.340 -0.001 0.000 0.203 276 Q C 1.059 177.059 176.000 0.000 0.000 0.932 276 Q CA 1.056 56.859 55.803 -0.000 0.000 0.945 276 Q CB 0.543 29.281 28.738 -0.001 0.000 1.045 276 Q HN 0.974 nan 8.270 nan 0.000 0.511 277 G N -0.147 108.653 108.800 0.001 0.000 2.619 277 G HA2 0.595 4.555 3.960 -0.001 0.000 0.296 277 G HA3 0.595 4.555 3.960 -0.001 0.000 0.296 277 G C -1.238 173.663 174.900 0.002 0.000 1.334 277 G CA -0.699 44.402 45.100 0.001 0.000 0.934 277 G HN 0.066 nan 8.290 nan 0.000 0.476 278 L N 0.758 121.982 121.223 0.002 0.000 2.305 278 L HA 0.575 4.915 4.340 -0.001 0.000 0.281 278 L C 0.529 177.401 176.870 0.003 0.000 1.085 278 L CA -0.335 54.506 54.840 0.003 0.000 0.813 278 L CB 1.813 43.873 42.059 0.002 0.000 1.157 278 L HN 0.485 nan 8.230 nan 0.000 0.436 279 T N 1.975 116.531 114.554 0.004 0.000 2.861 279 T HA 0.276 4.625 4.350 -0.001 0.000 0.287 279 T C 0.358 175.062 174.700 0.006 0.000 1.003 279 T CA -0.529 61.574 62.100 0.005 0.000 0.977 279 T CB 1.723 70.595 68.868 0.006 0.000 0.996 279 T HN 0.700 nan 8.240 nan 0.000 0.448 280 K N 1.906 122.310 120.400 0.007 0.000 2.240 280 K HA 0.080 4.400 4.320 -0.001 0.000 0.202 280 K C 2.181 178.786 176.600 0.009 0.000 1.053 280 K CA 0.652 56.944 56.287 0.007 0.000 0.973 280 K CB -0.126 32.378 32.500 0.006 0.000 0.924 280 K HN 0.636 nan 8.250 nan 0.000 0.477 281 T N 0.253 114.813 114.554 0.010 0.000 2.881 281 T HA -0.060 4.290 4.350 -0.001 0.000 0.270 281 T C 1.384 176.093 174.700 0.015 0.000 1.068 281 T CA 0.995 63.102 62.100 0.012 0.000 1.131 281 T CB 0.059 68.934 68.868 0.012 0.000 0.871 281 T HN 0.042 nan 8.240 nan 0.000 0.479 282 M N 0.883 120.491 119.600 0.014 0.000 2.356 282 M HA 0.485 4.964 4.480 -0.001 0.000 0.262 282 M C 0.739 177.048 176.300 0.015 0.000 1.097 282 M CA -0.397 54.912 55.300 0.016 0.000 0.991 282 M CB -0.571 32.038 32.600 0.014 0.000 1.450 282 M HN 0.264 nan 8.290 nan 0.000 0.495 283 A N 1.850 124.678 122.820 0.014 0.000 2.322 283 A HA 0.591 4.911 4.320 -0.001 0.000 0.269 283 A C -2.144 175.449 177.584 0.016 0.000 1.094 283 A CA -1.011 51.033 52.037 0.013 0.000 0.807 283 A CB -0.442 18.564 19.000 0.010 0.000 1.047 283 A HN 0.129 nan 8.150 nan 0.000 0.487 284 P HA 0.201 nan 4.420 nan 0.000 0.265 284 P C -2.371 174.938 177.300 0.015 0.000 1.187 284 P CA -0.378 62.732 63.100 0.017 0.000 0.766 284 P CB -0.289 31.420 31.700 0.016 0.000 0.820 285 P HA 0.026 nan 4.420 nan 0.000 0.270 285 P C -0.133 177.173 177.300 0.011 0.000 1.223 285 P CA -0.168 62.941 63.100 0.013 0.000 0.785 285 P CB 0.198 31.906 31.700 0.014 0.000 0.923 286 S N -0.266 115.439 115.700 0.009 0.000 2.573 286 S HA -0.020 4.449 4.470 -0.001 0.000 0.277 286 S C 1.334 175.938 174.600 0.007 0.000 1.346 286 S CA -0.265 57.939 58.200 0.007 0.000 1.034 286 S CB 0.268 63.471 63.200 0.006 0.000 0.879 286 S HN 0.598 nan 8.310 nan 0.000 0.528 287 E N 1.393 121.597 120.200 0.006 0.000 2.114 287 E HA -0.273 4.076 4.350 -0.001 0.000 0.199 287 E C 2.017 178.620 176.600 0.004 0.000 1.008 287 E CA 1.764 58.167 56.400 0.005 0.000 0.810 287 E CB -0.191 29.512 29.700 0.004 0.000 0.739 287 E HN 0.880 nan 8.360 nan 0.000 0.456 288 E N 0.092 120.294 120.200 0.003 0.000 2.265 288 E HA -0.169 4.181 4.350 -0.001 0.000 0.196 288 E C 1.765 178.366 176.600 0.002 0.000 0.996 288 E CA 1.070 57.471 56.400 0.002 0.000 0.832 288 E CB -0.143 29.558 29.700 0.002 0.000 0.756 288 E HN 0.324 nan 8.360 nan 0.000 0.491 289 A N 1.307 124.129 122.820 0.004 0.000 2.067 289 A HA 0.005 4.325 4.320 -0.001 0.000 0.217 289 A C 1.497 179.083 177.584 0.004 0.000 1.156 289 A CA 1.233 53.273 52.037 0.004 0.000 0.683 289 A CB -0.273 18.731 19.000 0.007 0.000 0.808 289 A HN 0.471 nan 8.150 nan 0.000 0.455 290 T N -2.816 111.740 114.554 0.003 0.000 2.906 290 T HA 0.593 4.943 4.350 -0.001 0.000 0.295 290 T C -1.116 173.583 174.700 -0.001 0.000 1.075 290 T CA -1.063 61.038 62.100 0.002 0.000 1.005 290 T CB 1.592 70.463 68.868 0.005 0.000 1.136 290 T HN 0.036 nan 8.240 nan 0.000 0.498 291 N N 0.849 119.546 118.700 -0.004 0.000 2.314 291 N HA 0.537 5.277 4.740 -0.001 0.000 0.304 291 N C -1.088 174.418 175.510 -0.007 0.000 1.073 291 N CA -0.455 52.592 53.050 -0.006 0.000 0.822 291 N CB 2.204 40.685 38.487 -0.010 0.000 1.280 291 N HN 0.721 nan 8.380 nan 0.000 0.489 292 T N 2.158 116.709 114.554 -0.004 0.000 2.779 292 T HA 0.585 4.934 4.350 -0.001 0.000 0.280 292 T C -0.177 174.518 174.700 -0.007 0.000 0.987 292 T CA -0.398 61.700 62.100 -0.004 0.000 0.966 292 T CB 0.813 69.684 68.868 0.005 0.000 0.933 292 T HN 0.136 nan 8.240 nan 0.000 0.442 293 L N 1.690 122.905 121.223 -0.013 0.000 2.323 293 L HA 0.568 4.908 4.340 -0.001 0.000 0.265 293 L C 0.596 177.457 176.870 -0.015 0.000 1.012 293 L CA -0.604 54.226 54.840 -0.017 0.000 0.820 293 L CB 1.895 43.938 42.059 -0.027 0.000 1.334 293 L HN 0.526 nan 8.230 nan 0.000 0.427 294 S N 0.795 116.487 115.700 -0.013 0.000 2.593 294 S HA 0.469 4.938 4.470 -0.001 0.000 0.269 294 S C -0.018 174.566 174.600 -0.027 0.000 1.334 294 S CA -0.547 57.646 58.200 -0.012 0.000 1.015 294 S CB 0.266 63.462 63.200 -0.007 0.000 0.912 294 S HN 0.334 nan 8.310 nan 0.000 0.541 295 L N 3.249 124.455 121.223 -0.028 0.000 2.485 295 L HA 0.179 4.518 4.340 -0.001 0.000 0.275 295 L C -1.810 175.032 176.870 -0.047 0.000 1.207 295 L CA -1.431 53.380 54.840 -0.048 0.000 0.855 295 L CB -0.439 41.592 42.059 -0.047 0.000 1.114 295 L HN 0.435 nan 8.230 nan 0.000 0.485 296 P HA 0.149 nan 4.420 nan 0.000 0.273 296 P C -0.731 176.537 177.300 -0.053 0.000 1.250 296 P CA -0.566 62.498 63.100 -0.060 0.000 0.793 296 P CB 0.471 32.123 31.700 -0.079 0.000 1.011 297 A N 1.961 124.755 122.820 -0.042 0.000 2.445 297 A HA 0.362 4.682 4.320 -0.001 0.000 0.242 297 A C -1.933 175.620 177.584 -0.052 0.000 1.075 297 A CA -0.954 51.064 52.037 -0.033 0.000 0.777 297 A CB -1.299 17.689 19.000 -0.021 0.000 1.013 297 A HN 0.441 nan 8.150 nan 0.000 0.493 298 P HA 0.247 nan 4.420 nan 0.000 0.269 298 P C 0.092 177.350 177.300 -0.071 0.000 1.209 298 P CA 0.229 63.287 63.100 -0.069 0.000 0.776 298 P CB 0.578 32.261 31.700 -0.027 0.000 0.876 299 A N 3.853 126.603 122.820 -0.117 0.000 2.475 299 A HA 0.111 4.431 4.320 -0.001 0.000 0.239 299 A C 0.532 178.080 177.584 -0.059 0.000 1.087 299 A CA 0.133 52.107 52.037 -0.104 0.000 0.779 299 A CB -0.204 18.698 19.000 -0.163 0.000 1.036 299 A HN 0.399 nan 8.150 nan 0.000 0.506 300 K N 0.330 120.709 120.400 -0.035 0.000 2.201 300 K HA 0.410 4.730 4.320 -0.001 0.000 0.278 300 K C -1.319 175.280 176.600 -0.001 0.000 1.027 300 K CA -0.381 55.910 56.287 0.006 0.000 0.909 300 K CB 1.286 33.800 32.500 0.023 0.000 1.062 300 K HN 0.437 nan 8.250 nan 0.000 0.465 301 L N 2.590 123.826 121.223 0.023 0.000 2.318 301 L HA 0.479 4.818 4.340 -0.001 0.000 0.277 301 L C -1.097 175.885 176.870 0.186 0.000 1.008 301 L CA -0.302 54.520 54.840 -0.031 0.000 0.846 301 L CB 1.122 42.952 42.059 -0.380 0.000 1.220 301 L HN 0.721 nan 8.230 nan 0.000 0.423 302 A N 6.235 129.167 122.820 0.187 0.000 2.449 302 A HA 0.967 5.287 4.320 -0.001 0.000 0.302 302 A C -2.644 175.070 177.584 0.216 0.000 1.048 302 A CA -0.943 51.238 52.037 0.239 0.000 0.708 302 A CB 1.042 20.131 19.000 0.148 0.000 1.274 302 A HN 0.552 nan 8.150 nan 0.000 0.410 303 P HA 0.425 nan 4.420 nan 0.000 0.312 303 P C 0.389 177.887 177.300 0.330 0.000 1.308 303 P CA -0.212 63.021 63.100 0.221 0.000 0.743 303 P CB 0.300 32.075 31.700 0.126 0.000 1.364 304 S N -1.256 114.532 115.700 0.146 0.000 2.572 304 S HA -0.046 4.423 4.470 -0.001 0.000 0.267 304 S C 1.176 175.662 174.600 -0.190 0.000 1.361 304 S CA -0.421 57.718 58.200 -0.102 0.000 1.009 304 S CB -0.418 62.733 63.200 -0.082 0.000 0.888 304 S HN 0.424 nan 8.310 nan 0.000 0.553 305 F N 1.649 121.087 119.950 -0.853 0.000 2.065 305 F HA -0.155 4.372 4.527 -0.001 0.000 0.298 305 F C 1.959 177.606 175.800 -0.256 0.000 1.112 305 F CA 1.720 59.306 58.000 -0.691 0.000 1.212 305 F CB -0.675 37.777 39.000 -0.914 0.000 0.975 305 F HN 0.747 nan 8.300 nan 0.000 0.476 306 Y N 0.270 120.531 120.300 -0.065 0.000 2.373 306 Y HA -0.184 4.366 4.550 -0.000 0.000 0.293 306 Y C 2.304 178.180 175.900 -0.041 0.000 1.129 306 Y CA 1.077 59.148 58.100 -0.047 0.000 1.226 306 Y CB -0.397 38.088 38.460 0.043 0.000 1.000 306 Y HN 0.124 nan 8.280 nan 0.000 0.549 307 N N -0.060 118.697 118.700 0.094 0.000 2.270 307 N HA -0.188 4.552 4.740 -0.001 0.000 0.181 307 N C 1.583 177.091 175.510 -0.003 0.000 1.016 307 N CA 0.862 53.945 53.050 0.054 0.000 0.870 307 N CB -0.545 37.975 38.487 0.054 0.000 0.979 307 N HN 0.483 nan 8.380 nan 0.000 0.431 308 N N 0.237 118.915 118.700 -0.036 0.000 2.142 308 N HA -0.162 4.577 4.740 -0.001 0.000 0.186 308 N C 1.727 177.136 175.510 -0.168 0.000 1.023 308 N CA 0.628 53.636 53.050 -0.070 0.000 0.852 308 N CB -0.169 38.311 38.487 -0.012 0.000 0.998 308 N HN 0.071 nan 8.380 nan 0.000 0.424 309 F N 2.208 121.902 119.950 -0.426 0.000 2.091 309 F HA -0.186 4.341 4.527 -0.001 0.000 0.299 309 F C 2.223 177.806 175.800 -0.362 0.000 1.103 309 F CA 1.220 58.943 58.000 -0.462 0.000 1.228 309 F CB -0.643 38.034 39.000 -0.538 0.000 0.984 309 F HN -0.169 nan 8.300 nan 0.000 0.477 310 V N 0.597 120.328 119.914 -0.306 0.000 2.332 310 V HA -0.319 3.800 4.120 -0.001 0.000 0.248 310 V C 2.116 178.029 176.094 -0.302 0.000 1.055 310 V CA 2.268 64.357 62.300 -0.353 0.000 1.038 310 V CB -0.801 30.997 31.823 -0.043 0.000 0.651 310 V HN 0.286 nan 8.190 nan 0.000 0.450 311 D N -0.136 120.145 120.400 -0.198 0.000 2.178 311 D HA -0.122 4.517 4.640 -0.001 0.000 0.201 311 D C 2.124 178.287 176.300 -0.228 0.000 0.980 311 D CA 1.089 55.000 54.000 -0.149 0.000 0.842 311 D CB -0.271 40.478 40.800 -0.085 0.000 0.948 311 D HN 0.328 nan 8.370 nan 0.000 0.472 312 V N 0.954 120.650 119.914 -0.362 0.000 2.358 312 V HA -0.182 3.938 4.120 -0.001 0.000 0.246 312 V C 2.590 178.292 176.094 -0.653 0.000 1.047 312 V CA 0.996 62.996 62.300 -0.499 0.000 1.035 312 V CB -0.380 31.090 31.823 -0.589 0.000 0.658 312 V HN 0.228 nan 8.190 nan 0.000 0.452 313 L N 0.057 120.806 121.223 -0.790 0.000 2.083 313 L HA -0.196 4.144 4.340 -0.001 0.000 0.209 313 L C 1.875 178.591 176.870 -0.257 0.000 1.083 313 L CA 1.923 56.330 54.840 -0.723 0.000 0.752 313 L CB -0.759 40.557 42.059 -1.239 0.000 0.899 313 L HN 0.454 nan 8.230 nan 0.000 0.433 314 N N -0.067 118.537 118.700 -0.160 0.000 2.461 314 N HA -0.084 4.655 4.740 -0.001 0.000 0.188 314 N C 0.225 175.720 175.510 -0.025 0.000 1.134 314 N CA -0.117 52.930 53.050 -0.004 0.000 0.878 314 N CB 0.060 38.565 38.487 0.028 0.000 0.972 314 N HN 0.210 nan 8.380 nan 0.000 0.456 315 N N 0.230 118.888 118.700 -0.070 0.000 2.721 315 N HA -0.169 4.570 4.740 -0.001 0.000 0.249 315 N C 0.279 175.772 175.510 -0.029 0.000 1.072 315 N CA 1.267 54.294 53.050 -0.038 0.000 0.710 315 N CB -1.348 37.150 38.487 0.017 0.000 0.993 315 N HN 0.434 nan 8.380 nan 0.000 0.547 316 T N -5.319 109.208 114.554 -0.045 0.000 3.023 316 T HA 0.406 4.756 4.350 -0.001 0.000 0.253 316 T C 0.491 175.175 174.700 -0.026 0.000 1.038 316 T CA 0.393 62.478 62.100 -0.025 0.000 0.962 316 T CB 0.506 69.363 68.868 -0.018 0.000 1.018 316 T HN 0.242 nan 8.240 nan 0.000 0.521 317 S N 0.273 115.945 115.700 -0.047 0.000 2.537 317 S HA 0.401 4.871 4.470 -0.001 0.000 0.270 317 S C -1.534 173.038 174.600 -0.047 0.000 1.142 317 S CA -0.717 57.462 58.200 -0.035 0.000 0.870 317 S CB 1.564 64.744 63.200 -0.033 0.000 1.112 317 S HN 0.238 nan 8.310 nan 0.000 0.466 318 E N 2.948 123.138 120.200 -0.015 0.000 2.390 318 E HA 0.285 4.634 4.350 -0.001 0.000 0.261 318 E C -2.281 174.311 176.600 -0.014 0.000 1.076 318 E CA -1.690 54.706 56.400 -0.006 0.000 0.905 318 E CB 0.268 29.982 29.700 0.024 0.000 0.984 318 E HN 0.443 nan 8.360 nan 0.000 0.427 319 P HA 0.103 nan 4.420 nan 0.000 0.271 319 P C 0.648 177.970 177.300 0.037 0.000 1.216 319 P CA 0.147 63.243 63.100 -0.007 0.000 0.776 319 P CB 0.759 32.464 31.700 0.009 0.000 0.881 320 I N 1.792 122.393 120.570 0.052 0.000 2.193 320 I HA -0.099 4.070 4.170 -0.001 0.000 0.240 320 I C 0.832 176.938 176.117 -0.018 0.000 1.084 320 I CA 1.107 62.434 61.300 0.045 0.000 1.365 320 I CB -0.080 37.975 38.000 0.091 0.000 1.064 320 I HN 0.072 nan 8.210 nan 0.000 0.410 321 V N 3.670 123.620 119.914 0.059 0.000 2.338 321 V HA 0.086 4.205 4.120 -0.001 0.000 0.255 321 V C -0.007 176.138 176.094 0.085 0.000 1.082 321 V CA -0.141 62.192 62.300 0.056 0.000 0.951 321 V CB -0.114 31.834 31.823 0.207 0.000 1.102 321 V HN 0.275 nan 8.190 nan 0.000 0.489 322 Q N 3.258 123.106 119.800 0.080 0.000 2.235 322 Q HA 0.302 4.641 4.340 -0.001 0.000 0.250 322 Q C 0.545 176.633 176.000 0.146 0.000 0.909 322 Q CA -0.629 55.243 55.803 0.114 0.000 0.910 322 Q CB 1.194 30.000 28.738 0.113 0.000 1.223 322 Q HN 0.539 nan 8.270 nan 0.000 0.432 323 N N 1.424 120.229 118.700 0.174 0.000 2.188 323 N HA -0.164 4.576 4.740 -0.001 0.000 0.184 323 N C 1.230 176.862 175.510 0.203 0.000 1.018 323 N CA 0.887 54.066 53.050 0.216 0.000 0.858 323 N CB 0.198 38.830 38.487 0.241 0.000 0.989 323 N HN 0.569 nan 8.380 nan 0.000 0.426 324 E N 1.396 121.697 120.200 0.169 0.000 2.153 324 E HA -0.141 4.209 4.350 -0.001 0.000 0.194 324 E C 1.285 178.025 176.600 0.233 0.000 0.988 324 E CA 0.769 57.284 56.400 0.191 0.000 0.811 324 E CB 0.191 29.974 29.700 0.137 0.000 0.746 324 E HN 0.492 nan 8.360 nan 0.000 0.466 325 E N -0.229 120.082 120.200 0.185 0.000 2.072 325 E HA -0.123 4.227 4.350 -0.001 0.000 0.191 325 E C 2.218 178.912 176.600 0.158 0.000 0.985 325 E CA 1.131 57.632 56.400 0.167 0.000 0.801 325 E CB 0.082 29.870 29.700 0.147 0.000 0.750 325 E HN 0.064 nan 8.360 nan 0.000 0.452 326 V N 0.967 120.983 119.914 0.169 0.000 2.407 326 V HA -0.277 3.843 4.120 -0.001 0.000 0.248 326 V C 2.068 178.268 176.094 0.178 0.000 1.055 326 V CA 1.807 64.204 62.300 0.161 0.000 1.049 326 V CB -0.601 31.336 31.823 0.190 0.000 0.662 326 V HN 0.310 nan 8.190 nan 0.000 0.455 327 Y N 1.250 121.606 120.300 0.092 0.000 2.128 327 Y HA -0.257 4.292 4.550 -0.001 0.000 0.284 327 Y C 2.699 178.639 175.900 0.066 0.000 1.154 327 Y CA 1.884 60.028 58.100 0.074 0.000 1.149 327 Y CB -0.311 38.190 38.460 0.069 0.000 0.976 327 Y HN 0.215 nan 8.280 nan 0.000 0.505 328 Q N -0.348 119.449 119.800 -0.006 0.000 2.124 328 Q HA -0.134 4.206 4.340 -0.001 0.000 0.202 328 Q C 2.538 178.491 176.000 -0.077 0.000 0.977 328 Q CA 1.613 57.363 55.803 -0.088 0.000 0.850 328 Q CB -0.849 27.926 28.738 0.061 0.000 0.901 328 Q HN 0.485 nan 8.270 nan 0.000 0.429 329 V N 1.333 121.241 119.914 -0.011 0.000 2.295 329 V HA -0.250 3.869 4.120 -0.001 0.000 0.246 329 V C 2.432 178.492 176.094 -0.056 0.000 1.049 329 V CA 1.475 63.767 62.300 -0.013 0.000 1.024 329 V CB -0.645 31.192 31.823 0.022 0.000 0.648 329 V HN 0.262 nan 8.190 nan 0.000 0.447 330 L N -0.664 120.521 121.223 -0.062 0.000 2.083 330 L HA -0.177 4.163 4.340 -0.001 0.000 0.209 330 L C 2.571 179.372 176.870 -0.116 0.000 1.083 330 L CA 1.560 56.364 54.840 -0.060 0.000 0.752 330 L CB -0.607 41.447 42.059 -0.008 0.000 0.899 330 L HN 0.278 nan 8.230 nan 0.000 0.433 331 K N -0.223 120.035 120.400 -0.236 0.000 2.147 331 K HA -0.194 4.126 4.320 -0.001 0.000 0.205 331 K C 2.019 178.541 176.600 -0.131 0.000 1.049 331 K CA 1.054 57.206 56.287 -0.225 0.000 0.936 331 K CB -0.155 32.133 32.500 -0.353 0.000 0.722 331 K HN 0.091 nan 8.250 nan 0.000 0.446 332 L N 1.429 122.580 121.223 -0.119 0.000 2.056 332 L HA -0.086 4.254 4.340 -0.001 0.000 0.207 332 L C 1.826 178.617 176.870 -0.133 0.000 1.078 332 L CA 1.433 56.208 54.840 -0.107 0.000 0.749 332 L CB -0.235 41.773 42.059 -0.084 0.000 0.901 332 L HN 0.110 nan 8.230 nan 0.000 0.433 333 I N -0.456 120.034 120.570 -0.135 0.000 2.264 333 I HA -0.305 3.865 4.170 -0.001 0.000 0.248 333 I C 2.347 178.404 176.117 -0.100 0.000 1.111 333 I CA 1.412 62.594 61.300 -0.197 0.000 1.382 333 I CB -0.282 37.646 38.000 -0.120 0.000 1.060 333 I HN 0.368 nan 8.210 nan 0.000 0.418 334 E N 0.813 121.020 120.200 0.011 0.000 2.077 334 E HA -0.215 4.135 4.350 -0.001 0.000 0.193 334 E C 2.365 178.992 176.600 0.045 0.000 0.989 334 E CA 1.274 57.727 56.400 0.088 0.000 0.800 334 E CB -0.213 29.509 29.700 0.038 0.000 0.746 334 E HN 0.520 nan 8.360 nan 0.000 0.452 335 A N 1.118 123.921 122.820 -0.028 0.000 1.940 335 A HA -0.193 4.126 4.320 -0.001 0.000 0.219 335 A C 2.166 179.713 177.584 -0.062 0.000 1.176 335 A CA 1.145 53.156 52.037 -0.043 0.000 0.631 335 A CB -0.577 18.381 19.000 -0.070 0.000 0.814 335 A HN 0.152 nan 8.150 nan 0.000 0.446 336 I N -1.918 118.567 120.570 -0.140 0.000 2.202 336 I HA -0.225 3.944 4.170 -0.001 0.000 0.242 336 I C 2.226 178.243 176.117 -0.166 0.000 1.091 336 I CA 1.259 62.427 61.300 -0.220 0.000 1.368 336 I CB -0.311 37.434 38.000 -0.425 0.000 1.058 336 I HN 0.292 nan 8.210 nan 0.000 0.410 337 F N 0.940 120.850 119.950 -0.067 0.000 2.134 337 F HA -0.211 4.316 4.527 -0.001 0.000 0.299 337 F C 2.596 178.390 175.800 -0.011 0.000 1.097 337 F CA 1.547 59.525 58.000 -0.036 0.000 1.264 337 F CB -0.695 38.282 39.000 -0.037 0.000 1.001 337 F HN 0.133 nan 8.300 nan 0.000 0.479 338 E N 0.149 120.451 120.200 0.171 0.000 2.077 338 E HA -0.204 4.146 4.350 -0.001 0.000 0.193 338 E C 2.364 179.002 176.600 0.062 0.000 0.989 338 E CA 1.058 57.515 56.400 0.094 0.000 0.800 338 E CB -0.170 29.564 29.700 0.057 0.000 0.746 338 E HN 0.290 nan 8.360 nan 0.000 0.452 339 A N 1.235 124.075 122.820 0.033 0.000 1.902 339 A HA -0.128 4.192 4.320 -0.001 0.000 0.217 339 A C 2.378 179.987 177.584 0.042 0.000 1.181 339 A CA 1.989 54.035 52.037 0.014 0.000 0.623 339 A CB -0.747 18.243 19.000 -0.017 0.000 0.818 339 A HN 0.416 nan 8.150 nan 0.000 0.443 340 A N 0.451 123.311 122.820 0.066 0.000 1.929 340 A HA -0.098 4.222 4.320 -0.001 0.000 0.216 340 A C 1.962 179.617 177.584 0.118 0.000 1.176 340 A CA 1.723 53.820 52.037 0.100 0.000 0.628 340 A CB -0.548 18.529 19.000 0.129 0.000 0.816 340 A HN 0.782 nan 8.150 nan 0.000 0.444 341 E N 0.022 120.297 120.200 0.124 0.000 2.152 341 E HA -0.132 4.218 4.350 -0.001 0.000 0.192 341 E C 1.527 178.164 176.600 0.062 0.000 0.983 341 E CA 1.681 58.139 56.400 0.097 0.000 0.818 341 E CB -0.622 29.131 29.700 0.090 0.000 0.758 341 E HN 0.533 nan 8.360 nan 0.000 0.467 342 T N -2.407 112.179 114.554 0.054 0.000 3.086 342 T HA 0.069 4.419 4.350 -0.001 0.000 0.250 342 T C 0.691 175.413 174.700 0.036 0.000 1.074 342 T CA 0.138 62.261 62.100 0.039 0.000 0.988 342 T CB -0.291 68.597 68.868 0.034 0.000 0.988 342 T HN 0.219 nan 8.240 nan 0.000 0.530 343 N N 1.576 120.301 118.700 0.042 0.000 2.714 343 N HA -0.182 4.558 4.740 -0.001 0.000 0.252 343 N C -0.558 174.968 175.510 0.026 0.000 1.014 343 N CA 0.537 53.609 53.050 0.037 0.000 0.735 343 N CB -1.059 37.449 38.487 0.036 0.000 0.924 343 N HN 0.687 nan 8.380 nan 0.000 0.540 344 R N -1.091 119.421 120.500 0.020 0.000 2.888 344 R HA 0.501 4.840 4.340 -0.001 0.000 0.264 344 R C -0.606 175.683 176.300 -0.019 0.000 1.045 344 R CA -0.708 55.399 56.100 0.012 0.000 0.962 344 R CB 1.142 31.455 30.300 0.021 0.000 1.210 344 R HN 0.082 nan 8.270 nan 0.000 0.479 345 T N 1.367 115.893 114.554 -0.048 0.000 2.744 345 T HA 0.254 4.603 4.350 -0.001 0.000 0.291 345 T C -0.214 174.288 174.700 -0.329 0.000 0.957 345 T CA -0.453 61.552 62.100 -0.159 0.000 1.002 345 T CB 1.170 69.947 68.868 -0.153 0.000 0.919 345 T HN 0.097 nan 8.240 nan 0.000 0.468 346 V N 5.077 124.816 119.914 -0.291 0.000 2.432 346 V HA 0.261 4.380 4.120 -0.001 0.000 0.275 346 V C -0.154 175.722 176.094 -0.363 0.000 1.043 346 V CA -0.614 61.548 62.300 -0.231 0.000 0.925 346 V CB 0.303 32.067 31.823 -0.099 0.000 0.985 346 V HN 0.865 nan 8.190 nan 0.000 0.466 347 H N 2.241 121.317 119.070 0.009 0.000 2.463 347 H HA 0.703 5.258 4.556 -0.001 0.000 0.332 347 H C 0.459 175.790 175.328 0.006 0.000 1.127 347 H CA 0.287 56.340 56.048 0.008 0.000 1.238 347 H CB 1.315 31.086 29.762 0.015 0.000 1.478 347 H HN 0.890 nan 8.280 nan 0.000 0.499 348 S N 0.000 115.767 115.700 0.111 0.000 2.498 348 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 348 S CA 0.000 58.233 58.200 0.056 0.000 1.107 348 S CB 0.000 63.237 63.200 0.063 0.000 0.593 348 S HN 0.000 nan 8.310 nan 0.000 0.517