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 1isv_1_A DATA FIRST_RESID 1 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVNEAF SDDGSGGRRD SNLQRTGNDW DATA SEQUENCE IEVAFRTARA ADPAAKLcYN DYNIENWTWA KTQGVYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GASSSTYAAV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD TDSWRSGDTP LLFNGDGSKK AAYTAVLNAL DATA SEQUENCE NGGSSTPPPS GGGQIKGVGS GRcLDVPNAS TTDGTQVQLY DcHSATNQQW DATA SEQUENCE TYTDAGELRV YGDKcLDAAG TGNGTKVQIY ScWGGDNQKW RLNSDGSIVG DATA SEQUENCE VQSGLcLDAV GGGTANGTLI QLYScSNGSN QRWTRT 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.578 177.584 -0.010 0.000 1.274 1 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 1 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 2 E N -0.744 119.448 120.200 -0.014 0.000 3.042 2 E HA 0.180 4.530 4.350 0.001 0.000 0.144 2 E C 0.224 176.811 176.600 -0.022 0.000 0.893 2 E CA 0.444 56.830 56.400 -0.022 0.000 1.422 2 E CB -0.385 29.301 29.700 -0.022 0.000 0.997 2 E HN 0.889 nan 8.360 nan 0.000 0.420 3 S N -0.663 115.030 115.700 -0.010 0.000 2.511 3 S HA 0.138 4.609 4.470 0.001 0.000 0.214 3 S C 0.918 175.539 174.600 0.035 0.000 0.997 3 S CA 0.461 58.667 58.200 0.010 0.000 0.908 3 S CB -0.058 63.148 63.200 0.010 0.000 0.803 3 S HN 0.357 nan 8.310 nan 0.000 0.504 4 T N -1.019 113.535 114.554 0.000 0.000 2.907 4 T HA 0.645 4.995 4.350 0.001 0.000 0.292 4 T C 0.935 175.576 174.700 -0.098 0.000 1.043 4 T CA -0.947 61.151 62.100 -0.003 0.000 1.003 4 T CB 1.235 70.087 68.868 -0.027 0.000 1.084 4 T HN 0.022 nan 8.240 nan 0.000 0.483 5 L N 1.405 122.506 121.223 -0.205 0.000 2.012 5 L HA 0.050 4.390 4.340 0.001 0.000 0.210 5 L C 3.004 179.823 176.870 -0.085 0.000 1.073 5 L CA 1.907 56.532 54.840 -0.359 0.000 0.748 5 L CB -1.170 40.443 42.059 -0.744 0.000 0.891 5 L HN 0.982 nan 8.230 nan 0.000 0.431 6 G N -0.274 108.532 108.800 0.010 0.000 2.459 6 G HA2 -0.278 3.682 3.960 0.001 0.000 0.217 6 G HA3 -0.278 3.682 3.960 0.001 0.000 0.217 6 G C 1.778 176.729 174.900 0.084 0.000 1.183 6 G CA 0.966 46.148 45.100 0.136 0.000 0.776 6 G HN 0.479 nan 8.290 nan 0.000 0.552 7 A N 1.112 123.947 122.820 0.025 0.000 1.902 7 A HA 0.244 4.564 4.320 0.001 0.000 0.217 7 A C 2.829 180.420 177.584 0.012 0.000 1.181 7 A CA 2.392 54.438 52.037 0.016 0.000 0.623 7 A CB -0.826 18.172 19.000 -0.003 0.000 0.818 7 A HN 0.866 nan 8.150 nan 0.000 0.443 8 A N -0.264 122.549 122.820 -0.012 0.000 1.933 8 A HA 0.175 4.496 4.320 0.001 0.000 0.218 8 A C 2.471 180.063 177.584 0.013 0.000 1.175 8 A CA 2.032 54.057 52.037 -0.021 0.000 0.628 8 A CB -0.904 18.053 19.000 -0.073 0.000 0.814 8 A HN 1.038 nan 8.150 nan 0.000 0.444 9 A N -0.226 122.628 122.820 0.056 0.000 1.930 9 A HA 0.245 4.566 4.320 0.001 0.000 0.217 9 A C 2.435 180.061 177.584 0.070 0.000 1.175 9 A CA 1.717 53.810 52.037 0.094 0.000 0.627 9 A CB -0.896 18.223 19.000 0.198 0.000 0.815 9 A HN 1.052 nan 8.150 nan 0.000 0.443 10 A N -0.597 122.268 122.820 0.075 0.000 2.070 10 A HA -0.203 4.117 4.320 0.001 0.000 0.220 10 A C 2.005 179.612 177.584 0.038 0.000 1.159 10 A CA 1.561 53.636 52.037 0.063 0.000 0.656 10 A CB -0.531 18.505 19.000 0.060 0.000 0.800 10 A HN 0.665 nan 8.150 nan 0.000 0.453 11 Q N 0.025 119.841 119.800 0.026 0.000 2.234 11 Q HA -0.123 4.217 4.340 0.001 0.000 0.206 11 Q C 1.637 177.644 176.000 0.012 0.000 0.980 11 Q CA 1.594 57.405 55.803 0.014 0.000 0.869 11 Q CB -0.146 28.595 28.738 0.006 0.000 0.912 11 Q HN 0.802 nan 8.270 nan 0.000 0.436 12 S N -1.961 113.748 115.700 0.014 0.000 2.601 12 S HA 0.389 4.860 4.470 0.001 0.000 0.244 12 S C 0.998 175.604 174.600 0.010 0.000 1.001 12 S CA 0.010 58.214 58.200 0.007 0.000 0.984 12 S CB 0.892 64.092 63.200 0.000 0.000 0.842 12 S HN 0.439 nan 8.310 nan 0.000 0.474 13 G N 1.417 110.231 108.800 0.023 0.000 2.153 13 G HA2 -0.276 3.685 3.960 0.001 0.000 0.252 13 G HA3 -0.276 3.685 3.960 0.001 0.000 0.252 13 G C 0.136 175.060 174.900 0.041 0.000 0.994 13 G CA 0.251 45.371 45.100 0.034 0.000 0.698 13 G HN 0.621 nan 8.290 nan 0.000 0.521 14 R N -1.179 119.338 120.500 0.028 0.000 2.810 14 R HA 0.744 5.084 4.340 0.001 0.000 0.245 14 R C -0.028 176.319 176.300 0.078 0.000 1.168 14 R CA -0.588 55.501 56.100 -0.018 0.000 1.096 14 R CB 0.804 31.047 30.300 -0.095 0.000 1.259 14 R HN 0.499 nan 8.270 nan 0.000 0.518 15 Y N -1.613 118.735 120.300 0.080 0.000 2.570 15 Y HA 0.659 5.209 4.550 0.001 0.000 0.345 15 Y C -1.383 174.612 175.900 0.158 0.000 1.014 15 Y CA -1.765 56.403 58.100 0.112 0.000 1.063 15 Y CB 1.140 39.644 38.460 0.073 0.000 1.272 15 Y HN 0.418 nan 8.280 nan 0.000 0.477 16 F N 1.794 121.980 119.950 0.393 0.000 2.499 16 F HA 0.806 5.334 4.527 0.001 0.000 0.333 16 F C 0.022 176.150 175.800 0.547 0.000 1.138 16 F CA -0.693 57.538 58.000 0.385 0.000 0.945 16 F CB 1.482 40.642 39.000 0.265 0.000 1.181 16 F HN 0.948 nan 8.300 nan 0.000 0.435 17 G N 2.101 111.111 108.800 0.351 0.000 2.932 17 G HA2 0.635 4.595 3.960 0.001 0.000 0.283 17 G HA3 0.635 4.595 3.960 0.001 0.000 0.283 17 G C -1.317 173.449 174.900 -0.224 0.000 1.336 17 G CA -0.675 44.549 45.100 0.208 0.000 1.056 17 G HN 0.644 nan 8.290 nan 0.000 0.522 18 T N -2.113 112.157 114.554 -0.473 0.000 2.787 18 T HA 0.627 4.978 4.350 0.001 0.000 0.297 18 T C -1.111 173.351 174.700 -0.397 0.000 1.221 18 T CA 0.200 61.914 62.100 -0.643 0.000 1.006 18 T CB 1.347 69.395 68.868 -1.367 0.000 1.328 18 T HN 1.282 nan 8.240 nan 0.000 0.509 19 A N 2.706 125.244 122.820 -0.469 0.000 2.274 19 A HA 0.713 5.034 4.320 0.001 0.000 0.309 19 A C -0.442 176.878 177.584 -0.440 0.000 1.226 19 A CA -0.591 51.053 52.037 -0.655 0.000 0.853 19 A CB 0.092 18.181 19.000 -1.519 0.000 1.146 19 A HN 0.656 nan 8.150 nan 0.000 0.518 20 I N 2.073 122.457 120.570 -0.309 0.000 2.377 20 I HA 0.450 4.621 4.170 0.001 0.000 0.293 20 I C 0.552 176.557 176.117 -0.185 0.000 0.987 20 I CA -0.244 60.949 61.300 -0.179 0.000 1.185 20 I CB 1.308 39.201 38.000 -0.178 0.000 1.341 20 I HN 0.702 nan 8.210 nan 0.000 0.455 21 A N 4.391 127.106 122.820 -0.174 0.000 2.253 21 A HA 0.417 4.738 4.320 0.001 0.000 0.316 21 A C 1.167 178.600 177.584 -0.252 0.000 1.327 21 A CA -0.203 51.705 52.037 -0.215 0.000 0.917 21 A CB 0.554 19.405 19.000 -0.248 0.000 1.162 21 A HN 0.856 nan 8.150 nan 0.000 0.535 22 S N 2.791 118.391 115.700 -0.167 0.000 2.392 22 S HA -0.189 4.281 4.470 0.001 0.000 0.232 22 S C 1.833 176.323 174.600 -0.183 0.000 1.041 22 S CA 1.911 60.020 58.200 -0.152 0.000 1.026 22 S CB -0.772 62.394 63.200 -0.057 0.000 0.845 22 S HN 1.204 nan 8.310 nan 0.000 0.465 23 G N 1.562 110.254 108.800 -0.179 0.000 2.448 23 G HA2 -0.089 3.871 3.960 0.001 0.000 0.219 23 G HA3 -0.089 3.871 3.960 0.001 0.000 0.219 23 G C 1.491 176.235 174.900 -0.260 0.000 1.127 23 G CA 0.589 45.584 45.100 -0.175 0.000 0.766 23 G HN 0.624 nan 8.290 nan 0.000 0.552 24 K N -0.099 120.037 120.400 -0.440 0.000 2.418 24 K HA 0.259 4.579 4.320 0.001 0.000 0.195 24 K C 1.975 178.250 176.600 -0.542 0.000 1.035 24 K CA -0.156 55.719 56.287 -0.687 0.000 1.003 24 K CB 0.006 31.637 32.500 -1.450 0.000 0.793 24 K HN 0.272 nan 8.250 nan 0.000 0.494 25 L N 0.337 121.334 121.223 -0.378 0.000 2.549 25 L HA -0.071 4.269 4.340 0.001 0.000 0.229 25 L C 1.937 178.738 176.870 -0.115 0.000 1.158 25 L CA 0.682 55.360 54.840 -0.270 0.000 0.842 25 L CB -0.299 41.526 42.059 -0.390 0.000 0.952 25 L HN 0.276 nan 8.230 nan 0.000 0.452 26 G N -1.321 107.412 108.800 -0.111 0.000 3.042 26 G HA2 -0.101 3.859 3.960 0.001 0.000 0.212 26 G HA3 -0.101 3.859 3.960 0.001 0.000 0.212 26 G C -0.050 174.835 174.900 -0.025 0.000 1.166 26 G CA -0.190 44.883 45.100 -0.046 0.000 0.767 26 G HN 0.263 nan 8.290 nan 0.000 0.546 27 D N -0.358 120.023 120.400 -0.033 0.000 2.329 27 D HA 0.428 5.069 4.640 0.001 0.000 0.232 27 D C 1.519 177.862 176.300 0.072 0.000 1.088 27 D CA -0.369 53.635 54.000 0.007 0.000 0.835 27 D CB 1.445 42.233 40.800 -0.021 0.000 1.078 27 D HN -0.093 nan 8.370 nan 0.000 0.495 28 S N 2.771 118.505 115.700 0.056 0.000 2.365 28 S HA -0.250 4.221 4.470 0.001 0.000 0.225 28 S C 2.062 176.699 174.600 0.061 0.000 1.039 28 S CA 1.307 59.544 58.200 0.062 0.000 1.033 28 S CB -0.362 62.861 63.200 0.039 0.000 0.887 28 S HN 0.705 nan 8.310 nan 0.000 0.447 29 A N 0.399 123.251 122.820 0.053 0.000 1.940 29 A HA -0.152 4.168 4.320 0.001 0.000 0.219 29 A C 1.971 179.581 177.584 0.043 0.000 1.176 29 A CA 1.740 53.798 52.037 0.036 0.000 0.631 29 A CB -0.883 18.139 19.000 0.036 0.000 0.814 29 A HN 0.593 nan 8.150 nan 0.000 0.446 30 Y N 1.522 121.791 120.300 -0.052 0.000 2.109 30 Y HA -0.198 4.352 4.550 0.001 0.000 0.285 30 Y C 2.976 178.844 175.900 -0.053 0.000 1.131 30 Y CA 2.665 60.720 58.100 -0.075 0.000 1.121 30 Y CB -0.671 37.730 38.460 -0.099 0.000 0.987 30 Y HN 0.427 nan 8.280 nan 0.000 0.495 31 T N -3.441 111.189 114.554 0.127 0.000 2.881 31 T HA -0.150 4.200 4.350 0.001 0.000 0.270 31 T C 1.763 176.527 174.700 0.106 0.000 1.068 31 T CA 1.682 63.868 62.100 0.143 0.000 1.131 31 T CB -0.986 68.038 68.868 0.259 0.000 0.871 31 T HN 0.336 nan 8.240 nan 0.000 0.479 32 T N 2.086 116.658 114.554 0.029 0.000 2.746 32 T HA 0.113 4.463 4.350 0.001 0.000 0.267 32 T C 1.871 176.522 174.700 -0.082 0.000 1.039 32 T CA 1.303 63.397 62.100 -0.010 0.000 1.142 32 T CB -0.368 68.487 68.868 -0.023 0.000 0.866 32 T HN 0.437 nan 8.240 nan 0.000 0.444 33 I N 1.132 121.592 120.570 -0.183 0.000 2.193 33 I HA -0.081 4.089 4.170 0.001 0.000 0.240 33 I C 2.979 178.948 176.117 -0.247 0.000 1.084 33 I CA 0.966 62.055 61.300 -0.352 0.000 1.365 33 I CB -0.575 37.046 38.000 -0.632 0.000 1.064 33 I HN 0.163 nan 8.210 nan 0.000 0.410 34 A N 1.191 123.922 122.820 -0.148 0.000 1.883 34 A HA -0.258 4.062 4.320 0.001 0.000 0.217 34 A C 2.511 180.305 177.584 0.349 0.000 1.186 34 A CA 2.595 54.724 52.037 0.154 0.000 0.624 34 A CB -0.987 17.954 19.000 -0.098 0.000 0.822 34 A HN 0.542 nan 8.150 nan 0.000 0.444 35 S N -0.637 115.240 115.700 0.295 0.000 2.423 35 S HA -0.149 4.322 4.470 0.001 0.000 0.231 35 S C 2.008 176.603 174.600 -0.007 0.000 1.014 35 S CA 1.185 59.452 58.200 0.111 0.000 0.965 35 S CB -0.351 62.879 63.200 0.050 0.000 0.785 35 S HN 0.657 nan 8.310 nan 0.000 0.495 36 R N 1.038 121.515 120.500 -0.037 0.000 2.080 36 R HA 0.075 4.415 4.340 0.001 0.000 0.222 36 R C 1.751 177.971 176.300 -0.133 0.000 1.107 36 R CA 1.211 57.262 56.100 -0.082 0.000 0.980 36 R CB -0.055 30.191 30.300 -0.089 0.000 0.879 36 R HN 0.368 nan 8.270 nan 0.000 0.439 37 E N -0.312 119.718 120.200 -0.283 0.000 2.318 37 E HA 0.027 4.377 4.350 0.001 0.000 0.193 37 E C -0.297 175.941 176.600 -0.605 0.000 0.998 37 E CA 0.431 56.524 56.400 -0.513 0.000 0.859 37 E CB 0.309 29.530 29.700 -0.799 0.000 0.812 37 E HN 0.145 nan 8.360 nan 0.000 0.492 38 F N 1.590 121.618 119.950 0.130 0.000 2.522 38 F HA 0.250 4.777 4.527 0.001 0.000 0.324 38 F C 0.905 176.771 175.800 0.110 0.000 1.077 38 F CA -1.229 56.879 58.000 0.180 0.000 0.944 38 F CB 0.934 40.050 39.000 0.193 0.000 1.175 38 F HN -0.185 nan 8.300 nan 0.000 0.468 39 N N 0.917 119.806 118.700 0.316 0.000 2.235 39 N HA 0.351 5.092 4.740 0.001 0.000 0.231 39 N C -0.720 174.844 175.510 0.090 0.000 1.177 39 N CA -0.101 53.044 53.050 0.157 0.000 0.874 39 N CB 0.787 39.354 38.487 0.133 0.000 1.097 39 N HN 0.587 nan 8.380 nan 0.000 0.518 40 M N 0.288 119.951 119.600 0.105 0.000 2.371 40 M HA 0.556 5.037 4.480 0.001 0.000 0.287 40 M C -2.219 174.055 176.300 -0.042 0.000 1.149 40 M CA -0.732 54.510 55.300 -0.096 0.000 0.929 40 M CB 2.361 34.730 32.600 -0.385 0.000 1.683 40 M HN -0.163 nan 8.290 nan 0.000 0.470 41 V N 2.676 122.538 119.914 -0.088 0.000 2.876 41 V HA 0.836 4.956 4.120 0.001 0.000 0.312 41 V C -0.751 175.280 176.094 -0.105 0.000 1.085 41 V CA -0.529 61.738 62.300 -0.055 0.000 0.945 41 V CB 2.633 34.491 31.823 0.058 0.000 1.017 41 V HN 0.892 nan 8.190 nan 0.000 0.428 42 T N 2.977 117.463 114.554 -0.114 0.000 2.848 42 T HA 0.641 4.991 4.350 0.001 0.000 0.285 42 T C -0.127 174.504 174.700 -0.115 0.000 0.995 42 T CA -0.290 61.753 62.100 -0.094 0.000 0.970 42 T CB 1.654 70.516 68.868 -0.010 0.000 0.976 42 T HN 0.962 nan 8.240 nan 0.000 0.441 43 A N 2.040 124.833 122.820 -0.045 0.000 2.404 43 A HA 0.291 4.611 4.320 0.001 0.000 0.273 43 A C 1.350 178.929 177.584 -0.008 0.000 1.144 43 A CA -0.322 51.700 52.037 -0.025 0.000 0.806 43 A CB -0.005 19.022 19.000 0.045 0.000 1.080 43 A HN 1.060 nan 8.150 nan 0.000 0.509 44 E N 2.165 122.276 120.200 -0.149 0.000 2.110 44 E HA -0.178 4.172 4.350 0.001 0.000 0.193 44 E C 0.731 177.410 176.600 0.130 0.000 0.988 44 E CA 1.752 58.048 56.400 -0.173 0.000 0.804 44 E CB 0.091 29.576 29.700 -0.359 0.000 0.745 44 E HN 0.813 nan 8.360 nan 0.000 0.458 45 N N -1.174 117.590 118.700 0.108 0.000 2.113 45 N HA -0.021 4.720 4.740 0.001 0.000 0.236 45 N C 0.877 176.481 175.510 0.157 0.000 1.263 45 N CA 0.185 53.331 53.050 0.158 0.000 0.831 45 N CB 0.295 38.845 38.487 0.105 0.000 1.259 45 N HN -0.020 nan 8.380 nan 0.000 0.469 46 E N 0.916 121.193 120.200 0.129 0.000 2.331 46 E HA 0.030 4.381 4.350 0.001 0.000 0.199 46 E C 1.042 177.779 176.600 0.228 0.000 1.008 46 E CA 1.007 57.501 56.400 0.156 0.000 0.843 46 E CB -0.060 29.721 29.700 0.135 0.000 0.761 46 E HN 0.361 nan 8.360 nan 0.000 0.507 47 M N -0.133 119.613 119.600 0.243 0.000 2.496 47 M HA 0.164 4.644 4.480 0.001 0.000 0.330 47 M C -0.160 176.349 176.300 0.349 0.000 1.133 47 M CA -0.120 55.379 55.300 0.331 0.000 0.964 47 M CB 0.634 33.397 32.600 0.271 0.000 1.401 47 M HN -0.166 nan 8.290 nan 0.000 0.520 48 K N 0.460 121.025 120.400 0.275 0.000 2.120 48 K HA 0.308 4.628 4.320 0.001 0.000 0.245 48 K C 1.084 177.850 176.600 0.277 0.000 1.024 48 K CA -0.306 56.132 56.287 0.253 0.000 0.906 48 K CB 1.367 34.005 32.500 0.230 0.000 1.051 48 K HN 0.079 nan 8.250 nan 0.000 0.491 49 I N 1.393 122.076 120.570 0.187 0.000 2.127 49 I HA -0.337 3.834 4.170 0.001 0.000 0.241 49 I C 2.089 178.216 176.117 0.017 0.000 1.075 49 I CA 1.556 62.846 61.300 -0.017 0.000 1.334 49 I CB -0.487 37.309 38.000 -0.340 0.000 1.040 49 I HN 0.766 nan 8.210 nan 0.000 0.405 50 D N 1.854 122.237 120.400 -0.028 0.000 2.149 50 D HA -0.196 4.444 4.640 0.001 0.000 0.198 50 D C 1.980 178.317 176.300 0.061 0.000 0.990 50 D CA 1.612 55.598 54.000 -0.022 0.000 0.839 50 D CB -0.262 40.501 40.800 -0.063 0.000 0.948 50 D HN 0.391 nan 8.370 nan 0.000 0.460 51 A N 0.519 123.401 122.820 0.104 0.000 2.067 51 A HA -0.003 4.318 4.320 0.001 0.000 0.217 51 A C 2.267 179.929 177.584 0.131 0.000 1.156 51 A CA 1.708 53.814 52.037 0.116 0.000 0.683 51 A CB -0.480 18.603 19.000 0.138 0.000 0.808 51 A HN 0.467 nan 8.150 nan 0.000 0.455 52 T N -3.905 110.772 114.554 0.205 0.000 3.015 52 T HA 0.230 4.580 4.350 0.001 0.000 0.250 52 T C 0.597 175.383 174.700 0.143 0.000 1.057 52 T CA 0.532 62.736 62.100 0.174 0.000 1.066 52 T CB 0.168 69.270 68.868 0.390 0.000 0.959 52 T HN 0.351 nan 8.240 nan 0.000 0.488 53 E N 1.680 122.019 120.200 0.231 0.000 3.386 53 E HA 0.280 4.630 4.350 0.001 0.000 0.236 53 E C -2.344 174.386 176.600 0.217 0.000 1.227 53 E CA -2.170 54.290 56.400 0.100 0.000 0.970 53 E CB 1.530 31.395 29.700 0.274 0.000 1.343 53 E HN 0.119 nan 8.360 nan 0.000 0.397 54 P HA -0.155 nan 4.420 nan 0.000 0.216 54 P C -0.041 177.395 177.300 0.226 0.000 1.150 54 P CA 1.105 64.288 63.100 0.138 0.000 0.843 54 P CB 0.285 32.001 31.700 0.026 0.000 0.787 55 Q N -1.634 118.141 119.800 -0.042 0.000 2.397 55 Q HA 0.363 4.704 4.340 0.001 0.000 0.275 55 Q C -0.609 174.889 176.000 -0.837 0.000 1.090 55 Q CA -1.004 54.532 55.803 -0.446 0.000 0.809 55 Q CB 1.433 29.981 28.738 -0.318 0.000 1.362 55 Q HN -0.191 nan 8.270 nan 0.000 0.431 56 R N 0.964 120.449 120.500 -1.691 0.000 2.538 56 R HA 0.302 4.643 4.340 0.001 0.000 0.282 56 R C 0.625 176.469 176.300 -0.760 0.000 1.009 56 R CA 1.735 56.931 56.100 -1.506 0.000 1.063 56 R CB -0.217 29.064 30.300 -1.699 0.000 0.945 56 R HN 0.910 nan 8.270 nan 0.000 0.414 57 G N 2.787 111.199 108.800 -0.646 0.000 2.234 57 G HA2 -0.242 3.718 3.960 0.001 0.000 0.260 57 G HA3 -0.242 3.718 3.960 0.001 0.000 0.260 57 G C -0.234 174.391 174.900 -0.458 0.000 0.987 57 G CA 0.069 44.905 45.100 -0.439 0.000 0.625 57 G HN 0.567 nan 8.290 nan 0.000 0.532 58 Q N 0.477 119.946 119.800 -0.551 0.000 2.509 58 Q HA 0.578 4.918 4.340 0.001 0.000 0.236 58 Q C -0.569 175.165 176.000 -0.444 0.000 1.073 58 Q CA -0.336 55.248 55.803 -0.366 0.000 0.867 58 Q CB 0.340 28.922 28.738 -0.261 0.000 1.181 58 Q HN 0.342 nan 8.270 nan 0.000 0.526 59 F N 1.732 121.562 119.950 -0.199 0.000 2.396 59 F HA 0.240 4.767 4.527 0.001 0.000 0.343 59 F C 0.979 176.452 175.800 -0.546 0.000 1.104 59 F CA -0.621 57.116 58.000 -0.439 0.000 1.161 59 F CB 0.817 39.471 39.000 -0.576 0.000 1.146 59 F HN 0.285 nan 8.300 nan 0.000 0.522 60 N N 2.774 121.201 118.700 -0.455 0.000 2.623 60 N HA 0.275 5.015 4.740 0.001 0.000 0.256 60 N C -0.886 174.408 175.510 -0.359 0.000 1.045 60 N CA -0.400 52.465 53.050 -0.309 0.000 0.863 60 N CB 0.118 38.530 38.487 -0.124 0.000 1.182 60 N HN 0.325 nan 8.380 nan 0.000 0.523 61 F N 1.125 121.055 119.950 -0.034 0.000 2.639 61 F HA 0.300 4.828 4.527 0.001 0.000 0.300 61 F C 2.131 177.970 175.800 0.065 0.000 1.109 61 F CA -0.271 57.696 58.000 -0.055 0.000 1.335 61 F CB -0.074 38.597 39.000 -0.549 0.000 1.014 61 F HN 0.452 nan 8.300 nan 0.000 0.537 62 S N 1.030 116.837 115.700 0.178 0.000 2.351 62 S HA -0.216 4.255 4.470 0.001 0.000 0.220 62 S C 2.519 177.233 174.600 0.190 0.000 1.035 62 S CA 1.664 59.964 58.200 0.167 0.000 1.031 62 S CB -0.359 62.902 63.200 0.103 0.000 0.928 62 S HN 0.356 nan 8.310 nan 0.000 0.433 63 A N 0.761 123.679 122.820 0.163 0.000 1.902 63 A HA 0.094 4.415 4.320 0.001 0.000 0.217 63 A C 2.364 180.075 177.584 0.212 0.000 1.181 63 A CA 1.946 54.073 52.037 0.151 0.000 0.623 63 A CB -1.668 17.401 19.000 0.114 0.000 0.818 63 A HN 0.661 nan 8.150 nan 0.000 0.443 64 G N -0.264 108.718 108.800 0.303 0.000 2.418 64 G HA2 -0.227 3.733 3.960 0.001 0.000 0.217 64 G HA3 -0.227 3.733 3.960 0.001 0.000 0.217 64 G C 1.115 176.287 174.900 0.455 0.000 1.158 64 G CA 1.198 46.532 45.100 0.389 0.000 0.771 64 G HN 0.463 nan 8.290 nan 0.000 0.545 65 D N -0.118 120.583 120.400 0.501 0.000 2.178 65 D HA -0.057 4.583 4.640 0.001 0.000 0.202 65 D C 2.431 178.966 176.300 0.391 0.000 0.974 65 D CA 0.316 54.616 54.000 0.500 0.000 0.841 65 D CB -0.173 40.870 40.800 0.405 0.000 0.953 65 D HN 0.132 nan 8.370 nan 0.000 0.478 66 R N 1.139 121.810 120.500 0.285 0.000 2.081 66 R HA -0.088 4.252 4.340 0.001 0.000 0.235 66 R C 1.997 178.435 176.300 0.230 0.000 1.131 66 R CA 0.793 57.026 56.100 0.221 0.000 0.960 66 R CB -0.570 29.821 30.300 0.151 0.000 0.856 66 R HN 0.088 nan 8.270 nan 0.000 0.436 67 V N 0.568 120.608 119.914 0.210 0.000 2.358 67 V HA -0.238 3.883 4.120 0.001 0.000 0.246 67 V C 2.166 178.403 176.094 0.239 0.000 1.047 67 V CA 1.821 64.229 62.300 0.180 0.000 1.035 67 V CB -0.874 31.013 31.823 0.106 0.000 0.658 67 V HN 0.340 nan 8.190 nan 0.000 0.452 68 Y N 2.003 122.393 120.300 0.151 0.000 2.128 68 Y HA -0.253 4.297 4.550 0.001 0.000 0.284 68 Y C 2.536 178.518 175.900 0.137 0.000 1.154 68 Y CA 2.119 60.288 58.100 0.114 0.000 1.149 68 Y CB -0.401 38.146 38.460 0.145 0.000 0.976 68 Y HN 0.278 nan 8.280 nan 0.000 0.505 69 N N -0.379 118.396 118.700 0.126 0.000 2.120 69 N HA -0.244 4.497 4.740 0.001 0.000 0.188 69 N C 1.633 177.136 175.510 -0.012 0.000 1.024 69 N CA 1.647 54.707 53.050 0.017 0.000 0.852 69 N CB -1.216 37.378 38.487 0.179 0.000 1.003 69 N HN 0.650 nan 8.380 nan 0.000 0.424 70 W N 2.195 123.462 121.300 -0.055 0.000 2.338 70 W HA -0.147 4.513 4.660 0.001 0.000 0.304 70 W C 2.392 178.855 176.519 -0.094 0.000 1.212 70 W CA 2.399 59.717 57.345 -0.045 0.000 1.264 70 W CB -0.370 29.088 29.460 -0.003 0.000 1.142 70 W HN 0.096 nan 8.180 nan 0.000 0.512 71 A N -0.036 122.841 122.820 0.094 0.000 1.841 71 A HA -0.242 4.079 4.320 0.001 0.000 0.216 71 A C 2.031 179.420 177.584 -0.325 0.000 1.199 71 A CA 2.879 54.852 52.037 -0.106 0.000 0.621 71 A CB -1.402 17.573 19.000 -0.043 0.000 0.835 71 A HN 0.192 nan 8.150 nan 0.000 0.445 72 V N 0.091 119.766 119.914 -0.398 0.000 2.332 72 V HA -0.285 3.836 4.120 0.001 0.000 0.248 72 V C 2.701 178.630 176.094 -0.276 0.000 1.055 72 V CA 2.109 64.198 62.300 -0.353 0.000 1.038 72 V CB -0.871 30.688 31.823 -0.440 0.000 0.651 72 V HN 0.540 nan 8.190 nan 0.000 0.450 73 Q N 0.031 119.661 119.800 -0.284 0.000 2.226 73 Q HA -0.097 4.243 4.340 0.001 0.000 0.204 73 Q C 1.573 177.381 176.000 -0.320 0.000 0.975 73 Q CA 1.033 56.686 55.803 -0.250 0.000 0.866 73 Q CB -0.404 28.206 28.738 -0.214 0.000 0.915 73 Q HN 0.659 nan 8.270 nan 0.000 0.440 74 N N -0.472 117.940 118.700 -0.481 0.000 2.279 74 N HA 0.110 4.851 4.740 0.001 0.000 0.226 74 N C 0.097 175.409 175.510 -0.330 0.000 1.126 74 N CA 0.591 53.340 53.050 -0.502 0.000 0.846 74 N CB 1.018 38.947 38.487 -0.930 0.000 1.050 74 N HN 0.253 nan 8.380 nan 0.000 0.502 75 G N 1.429 110.083 108.800 -0.244 0.000 2.272 75 G HA2 -0.289 3.672 3.960 0.001 0.000 0.280 75 G HA3 -0.289 3.672 3.960 0.001 0.000 0.280 75 G C -0.303 174.522 174.900 -0.126 0.000 1.067 75 G CA 0.303 45.310 45.100 -0.155 0.000 0.902 75 G HN 0.281 nan 8.290 nan 0.000 0.500 76 K N -0.291 120.016 120.400 -0.156 0.000 2.371 76 K HA 0.591 4.912 4.320 0.001 0.000 0.251 76 K C 0.478 177.002 176.600 -0.126 0.000 0.934 76 K CA -0.726 55.500 56.287 -0.102 0.000 0.798 76 K CB 1.834 34.297 32.500 -0.063 0.000 1.204 76 K HN 0.335 nan 8.250 nan 0.000 0.427 77 Q N 0.428 120.158 119.800 -0.117 0.000 2.308 77 Q HA 0.543 4.884 4.340 0.001 0.000 0.207 77 Q C -0.635 175.270 176.000 -0.159 0.000 1.035 77 Q CA -0.917 54.806 55.803 -0.133 0.000 1.008 77 Q CB 1.228 29.880 28.738 -0.143 0.000 1.168 77 Q HN 0.229 nan 8.270 nan 0.000 0.565 78 V N 0.704 120.527 119.914 -0.152 0.000 2.789 78 V HA 0.412 4.532 4.120 0.001 0.000 0.311 78 V C -0.762 175.174 176.094 -0.264 0.000 1.073 78 V CA -0.823 61.375 62.300 -0.171 0.000 0.921 78 V CB 1.999 33.778 31.823 -0.074 0.000 1.009 78 V HN 0.627 nan 8.190 nan 0.000 0.426 79 R N 2.185 122.517 120.500 -0.280 0.000 2.294 79 R HA 0.577 4.917 4.340 0.001 0.000 0.319 79 R C 0.292 176.327 176.300 -0.442 0.000 0.984 79 R CA -0.476 55.436 56.100 -0.314 0.000 0.861 79 R CB 1.837 32.021 30.300 -0.193 0.000 1.104 79 R HN 0.909 nan 8.270 nan 0.000 0.451 80 G N 1.581 109.881 108.800 -0.834 0.000 2.355 80 G HA2 0.166 4.126 3.960 0.001 0.000 0.276 80 G HA3 0.166 4.126 3.960 0.001 0.000 0.276 80 G C -0.914 173.804 174.900 -0.303 0.000 1.198 80 G CA 0.023 44.309 45.100 -1.357 0.000 0.876 80 G HN 0.638 nan 8.290 nan 0.000 0.478 81 H N 0.243 119.255 119.070 -0.096 0.000 3.108 81 H HA 0.598 5.154 4.556 0.001 0.000 0.329 81 H C -0.711 174.752 175.328 0.225 0.000 0.978 81 H CA -0.263 55.844 56.048 0.098 0.000 1.413 81 H CB 1.917 31.703 29.762 0.040 0.000 1.670 81 H HN 0.645 nan 8.280 nan 0.000 0.512 82 T N 4.396 118.929 114.554 -0.034 0.000 2.894 82 T HA 0.279 4.630 4.350 0.001 0.000 0.309 82 T C 0.527 175.332 174.700 0.174 0.000 1.208 82 T CA -0.670 61.426 62.100 -0.006 0.000 1.016 82 T CB 1.108 69.662 68.868 -0.522 0.000 1.192 82 T HN 0.528 nan 8.240 nan 0.000 0.491 83 L N 1.801 123.115 121.223 0.151 0.000 2.102 83 L HA 0.495 4.835 4.340 0.001 0.000 0.202 83 L C 1.320 178.311 176.870 0.202 0.000 1.076 83 L CA 0.456 55.377 54.840 0.135 0.000 0.761 83 L CB -0.235 41.765 42.059 -0.099 0.000 0.921 83 L HN 0.689 nan 8.230 nan 0.000 0.444 84 A N -1.115 121.809 122.820 0.172 0.000 2.311 84 A HA 0.526 4.847 4.320 0.001 0.000 0.306 84 A C -1.935 175.899 177.584 0.418 0.000 1.189 84 A CA -0.171 52.038 52.037 0.288 0.000 0.791 84 A CB 0.745 19.960 19.000 0.359 0.000 1.172 84 A HN 0.219 nan 8.150 nan 0.000 0.481 85 W N 4.148 125.518 121.300 0.117 0.000 3.573 85 W HA 0.361 5.021 4.660 0.001 0.000 0.306 85 W C 0.613 177.133 176.519 0.001 0.000 1.227 85 W CA -0.946 56.465 57.345 0.109 0.000 1.212 85 W CB 0.937 30.388 29.460 -0.015 0.000 1.331 85 W HN 0.838 nan 8.180 nan 0.000 0.524 86 H N 1.322 120.448 119.070 0.093 0.000 2.428 86 H HA 0.096 4.653 4.556 0.001 0.000 0.296 86 H C 0.385 175.457 175.328 -0.426 0.000 1.062 86 H CA 1.129 57.071 56.048 -0.178 0.000 1.350 86 H CB -0.278 29.437 29.762 -0.078 0.000 1.403 86 H HN 0.121 nan 8.280 nan 0.000 0.533 87 S N 0.227 114.862 115.700 -1.776 0.000 2.616 87 S HA 0.151 4.622 4.470 0.001 0.000 0.277 87 S C 0.036 173.814 174.600 -1.370 0.000 1.234 87 S CA -0.334 56.887 58.200 -1.631 0.000 1.028 87 S CB 0.560 62.643 63.200 -1.862 0.000 0.988 87 S HN 0.566 nan 8.310 nan 0.000 0.522 88 Q N 0.427 119.722 119.800 -0.842 0.000 2.475 88 Q HA -0.211 4.130 4.340 0.001 0.000 0.280 88 Q C -0.528 175.227 176.000 -0.408 0.000 1.234 88 Q CA 0.696 56.175 55.803 -0.540 0.000 0.873 88 Q CB -1.615 26.815 28.738 -0.514 0.000 1.256 88 Q HN 0.715 nan 8.270 nan 0.000 0.475 89 Q N 0.364 119.906 119.800 -0.430 0.000 2.299 89 Q HA 0.339 4.679 4.340 0.001 0.000 0.246 89 Q C -2.211 173.543 176.000 -0.410 0.000 0.935 89 Q CA -1.935 53.618 55.803 -0.417 0.000 0.887 89 Q CB 0.496 28.969 28.738 -0.441 0.000 1.223 89 Q HN 0.004 nan 8.270 nan 0.000 0.439 90 P HA -0.079 nan 4.420 nan 0.000 0.269 90 P C 0.642 177.660 177.300 -0.470 0.000 1.215 90 P CA 0.207 63.031 63.100 -0.460 0.000 0.780 90 P CB 0.462 31.790 31.700 -0.620 0.000 0.898 91 G N 2.141 110.812 108.800 -0.215 0.000 2.505 91 G HA2 -0.255 3.706 3.960 0.001 0.000 0.220 91 G HA3 -0.255 3.706 3.960 0.001 0.000 0.220 91 G C 1.253 176.095 174.900 -0.096 0.000 1.145 91 G CA 0.586 45.611 45.100 -0.125 0.000 0.761 91 G HN 0.729 nan 8.290 nan 0.000 0.571 92 W N -0.021 121.230 121.300 -0.081 0.000 2.358 92 W HA 0.028 4.689 4.660 0.001 0.000 0.303 92 W C 2.179 178.650 176.519 -0.080 0.000 1.208 92 W CA 1.052 58.351 57.345 -0.077 0.000 1.274 92 W CB -0.982 28.431 29.460 -0.080 0.000 1.138 92 W HN 0.277 nan 8.180 nan 0.000 0.515 93 M N 1.653 120.751 119.600 -0.838 0.000 2.175 93 M HA -0.193 4.287 4.480 0.001 0.000 0.264 93 M C 2.405 178.484 176.300 -0.368 0.000 1.063 93 M CA 1.849 56.693 55.300 -0.759 0.000 1.119 93 M CB -0.304 31.555 32.600 -1.236 0.000 1.377 93 M HN 0.038 nan 8.290 nan 0.000 0.415 94 Q N -0.239 119.354 119.800 -0.345 0.000 2.234 94 Q HA -0.150 4.190 4.340 0.001 0.000 0.206 94 Q C 1.854 177.771 176.000 -0.139 0.000 0.980 94 Q CA 1.864 57.530 55.803 -0.228 0.000 0.869 94 Q CB -0.230 28.382 28.738 -0.210 0.000 0.912 94 Q HN 0.680 nan 8.270 nan 0.000 0.436 95 S N -0.602 115.042 115.700 -0.093 0.000 2.593 95 S HA 0.136 4.606 4.470 0.001 0.000 0.217 95 S C 0.661 175.246 174.600 -0.024 0.000 0.966 95 S CA -0.304 57.871 58.200 -0.042 0.000 0.914 95 S CB 0.002 63.200 63.200 -0.005 0.000 0.776 95 S HN 0.114 nan 8.310 nan 0.000 0.523 96 L N 1.380 122.583 121.223 -0.033 0.000 2.399 96 L HA 0.667 5.008 4.340 0.001 0.000 0.266 96 L C 0.437 177.281 176.870 -0.043 0.000 1.114 96 L CA -0.474 54.360 54.840 -0.010 0.000 0.804 96 L CB 1.448 43.523 42.059 0.026 0.000 1.146 96 L HN 0.228 nan 8.230 nan 0.000 0.451 97 S N -0.384 115.300 115.700 -0.028 0.000 2.688 97 S HA 0.766 5.236 4.470 0.001 0.000 0.275 97 S C 0.014 174.599 174.600 -0.026 0.000 1.175 97 S CA 0.203 58.377 58.200 -0.043 0.000 0.818 97 S CB 1.227 64.403 63.200 -0.039 0.000 1.157 97 S HN 1.131 nan 8.310 nan 0.000 0.482 98 G N 2.101 110.883 108.800 -0.030 0.000 2.582 98 G HA2 -0.332 3.629 3.960 0.001 0.000 0.300 98 G HA3 -0.332 3.629 3.960 0.001 0.000 0.300 98 G C 1.163 176.064 174.900 0.003 0.000 1.300 98 G CA 1.502 46.595 45.100 -0.012 0.000 0.959 98 G HN 1.941 nan 8.290 nan 0.000 0.548 99 S N -0.774 114.935 115.700 0.015 0.000 2.419 99 S HA -0.137 4.333 4.470 0.001 0.000 0.233 99 S C 2.471 177.092 174.600 0.034 0.000 1.016 99 S CA 2.820 61.037 58.200 0.028 0.000 0.974 99 S CB -1.007 62.210 63.200 0.028 0.000 0.786 99 S HN 2.035 nan 8.310 nan 0.000 0.492 100 T N 0.934 115.505 114.554 0.029 0.000 2.737 100 T HA -0.017 4.334 4.350 0.001 0.000 0.265 100 T C 1.743 176.478 174.700 0.058 0.000 1.038 100 T CA 1.137 63.262 62.100 0.042 0.000 1.144 100 T CB -0.783 68.107 68.868 0.037 0.000 0.866 100 T HN 0.303 nan 8.240 nan 0.000 0.434 101 L N 1.397 122.640 121.223 0.034 0.000 2.056 101 L HA 0.197 4.537 4.340 0.001 0.000 0.207 101 L C 2.699 179.592 176.870 0.038 0.000 1.078 101 L CA 1.756 56.609 54.840 0.022 0.000 0.749 101 L CB -1.014 41.021 42.059 -0.041 0.000 0.901 101 L HN 0.192 nan 8.230 nan 0.000 0.433 102 R N -0.162 120.361 120.500 0.039 0.000 2.103 102 R HA -0.236 4.104 4.340 0.001 0.000 0.242 102 R C 2.347 178.702 176.300 0.093 0.000 1.142 102 R CA 2.069 58.211 56.100 0.070 0.000 0.960 102 R CB -0.860 29.483 30.300 0.071 0.000 0.858 102 R HN 0.548 nan 8.270 nan 0.000 0.439 103 Q N -0.308 119.543 119.800 0.086 0.000 2.119 103 Q HA 0.084 4.424 4.340 0.001 0.000 0.201 103 Q C 1.850 177.928 176.000 0.130 0.000 0.972 103 Q CA 1.991 57.851 55.803 0.094 0.000 0.847 103 Q CB -0.430 28.353 28.738 0.075 0.000 0.903 103 Q HN 0.415 nan 8.270 nan 0.000 0.433 104 A N 0.485 123.397 122.820 0.153 0.000 1.877 104 A HA -0.201 4.119 4.320 0.001 0.000 0.216 104 A C 2.161 179.890 177.584 0.241 0.000 1.186 104 A CA 1.747 53.928 52.037 0.241 0.000 0.620 104 A CB -0.777 18.406 19.000 0.305 0.000 0.822 104 A HN 0.597 nan 8.150 nan 0.000 0.443 105 M N -0.292 119.407 119.600 0.165 0.000 2.065 105 M HA -0.171 4.310 4.480 0.001 0.000 0.259 105 M C 2.015 178.435 176.300 0.200 0.000 1.069 105 M CA 2.099 57.502 55.300 0.173 0.000 1.110 105 M CB -0.393 32.297 32.600 0.151 0.000 1.328 105 M HN 0.443 nan 8.290 nan 0.000 0.405 106 I N 0.522 121.188 120.570 0.160 0.000 2.163 106 I HA -0.340 3.830 4.170 0.001 0.000 0.243 106 I C 1.854 178.052 176.117 0.135 0.000 1.085 106 I CA 1.468 62.843 61.300 0.125 0.000 1.347 106 I CB -0.840 37.219 38.000 0.099 0.000 1.044 106 I HN 0.329 nan 8.210 nan 0.000 0.408 107 D N -0.311 120.195 120.400 0.178 0.000 2.117 107 D HA -0.237 4.403 4.640 0.001 0.000 0.197 107 D C 2.012 178.497 176.300 0.309 0.000 0.987 107 D CA 1.513 55.640 54.000 0.211 0.000 0.829 107 D CB -0.497 40.434 40.800 0.217 0.000 0.961 107 D HN 0.432 nan 8.370 nan 0.000 0.460 108 H N 0.539 119.781 119.070 0.286 0.000 2.353 108 H HA -0.015 4.541 4.556 0.001 0.000 0.300 108 H C 2.155 177.591 175.328 0.181 0.000 1.090 108 H CA 1.292 57.562 56.048 0.370 0.000 1.327 108 H CB -0.326 29.616 29.762 0.300 0.000 1.383 108 H HN 0.064 nan 8.280 nan 0.000 0.508 109 I N 0.245 120.873 120.570 0.096 0.000 2.163 109 I HA -0.321 3.849 4.170 0.001 0.000 0.243 109 I C 2.014 178.022 176.117 -0.181 0.000 1.085 109 I CA 1.313 62.556 61.300 -0.095 0.000 1.347 109 I CB -0.328 37.641 38.000 -0.053 0.000 1.044 109 I HN 0.404 nan 8.210 nan 0.000 0.408 110 N N 1.048 119.694 118.700 -0.089 0.000 2.142 110 N HA -0.110 4.630 4.740 0.001 0.000 0.186 110 N C 1.894 177.285 175.510 -0.198 0.000 1.023 110 N CA 1.608 54.592 53.050 -0.110 0.000 0.852 110 N CB -0.625 37.842 38.487 -0.034 0.000 0.998 110 N HN 0.428 nan 8.380 nan 0.000 0.424 111 G N 1.215 109.857 108.800 -0.263 0.000 2.433 111 G HA2 -0.178 3.782 3.960 0.001 0.000 0.216 111 G HA3 -0.178 3.782 3.960 0.001 0.000 0.216 111 G C 1.756 176.301 174.900 -0.592 0.000 1.186 111 G CA 0.932 45.622 45.100 -0.684 0.000 0.779 111 G HN 0.179 nan 8.290 nan 0.000 0.543 112 V N 1.037 120.678 119.914 -0.455 0.000 2.307 112 V HA -0.175 3.945 4.120 0.001 0.000 0.245 112 V C 2.920 178.909 176.094 -0.176 0.000 1.045 112 V CA 2.060 64.260 62.300 -0.167 0.000 1.024 112 V CB -0.458 31.286 31.823 -0.131 0.000 0.651 112 V HN 0.342 nan 8.190 nan 0.000 0.449 113 M N 0.230 119.631 119.600 -0.333 0.000 2.159 113 M HA -0.072 4.408 4.480 0.001 0.000 0.263 113 M C 2.278 178.495 176.300 -0.139 0.000 1.063 113 M CA 1.935 57.073 55.300 -0.271 0.000 1.110 113 M CB -0.845 31.520 32.600 -0.392 0.000 1.374 113 M HN 0.515 nan 8.290 nan 0.000 0.411 114 G N -0.820 107.864 108.800 -0.194 0.000 2.421 114 G HA2 -0.294 3.666 3.960 0.001 0.000 0.216 114 G HA3 -0.294 3.666 3.960 0.001 0.000 0.216 114 G C 1.169 175.930 174.900 -0.233 0.000 1.171 114 G CA 1.419 46.414 45.100 -0.174 0.000 0.775 114 G HN 0.485 nan 8.290 nan 0.000 0.543 115 H N -0.362 118.415 119.070 -0.488 0.000 2.352 115 H HA -0.078 4.479 4.556 0.001 0.000 0.299 115 H C 1.340 176.242 175.328 -0.709 0.000 1.097 115 H CA 1.432 57.013 56.048 -0.778 0.000 1.311 115 H CB -0.183 28.591 29.762 -1.646 0.000 1.377 115 H HN 0.413 nan 8.280 nan 0.000 0.504 116 Y N 0.615 120.699 120.300 -0.359 0.000 2.532 116 Y HA 0.191 4.741 4.550 0.001 0.000 0.283 116 Y C 0.649 176.471 175.900 -0.131 0.000 1.181 116 Y CA -0.363 57.565 58.100 -0.286 0.000 1.256 116 Y CB -0.214 38.244 38.460 -0.004 0.000 1.112 116 Y HN 0.046 nan 8.280 nan 0.000 0.521 117 K N 0.774 121.151 120.400 -0.039 0.000 2.473 117 K HA 0.100 4.420 4.320 0.001 0.000 0.277 117 K C 1.279 177.881 176.600 0.004 0.000 1.052 117 K CA 1.265 57.552 56.287 0.000 0.000 1.114 117 K CB -0.227 32.241 32.500 -0.053 0.000 0.869 117 K HN 0.620 nan 8.250 nan 0.000 0.481 118 G N 3.721 112.553 108.800 0.054 0.000 2.162 118 G HA2 -0.301 3.659 3.960 0.001 0.000 0.260 118 G HA3 -0.301 3.659 3.960 0.001 0.000 0.260 118 G C 0.489 175.418 174.900 0.049 0.000 0.976 118 G CA 0.769 45.895 45.100 0.044 0.000 0.655 118 G HN 0.738 nan 8.290 nan 0.000 0.533 119 K N -0.745 119.686 120.400 0.052 0.000 2.402 119 K HA 0.349 4.669 4.320 0.001 0.000 0.204 119 K C 0.340 176.992 176.600 0.087 0.000 1.056 119 K CA -0.210 56.121 56.287 0.075 0.000 1.069 119 K CB 0.897 33.369 32.500 -0.047 0.000 0.888 119 K HN 0.301 nan 8.250 nan 0.000 0.546 120 I N 1.128 121.711 120.570 0.022 0.000 2.339 120 I HA 0.192 4.363 4.170 0.001 0.000 0.290 120 I C 1.191 177.257 176.117 -0.086 0.000 0.994 120 I CA -0.229 60.988 61.300 -0.137 0.000 1.191 120 I CB 1.039 38.780 38.000 -0.433 0.000 1.343 120 I HN -0.013 nan 8.210 nan 0.000 0.458 121 A N 6.432 129.186 122.820 -0.110 0.000 1.873 121 A HA -0.068 4.252 4.320 0.001 0.000 0.215 121 A C 0.805 178.366 177.584 -0.038 0.000 1.186 121 A CA 1.213 53.214 52.037 -0.060 0.000 0.616 121 A CB 0.024 18.968 19.000 -0.095 0.000 0.823 121 A HN 0.777 nan 8.150 nan 0.000 0.442 122 Q N -3.146 116.585 119.800 -0.115 0.000 2.359 122 Q HA 0.477 4.817 4.340 0.001 0.000 0.274 122 Q C -2.007 173.921 176.000 -0.120 0.000 1.074 122 Q CA -0.310 55.474 55.803 -0.032 0.000 0.810 122 Q CB 2.091 30.827 28.738 -0.004 0.000 1.342 122 Q HN 0.548 nan 8.270 nan 0.000 0.427 123 W N 1.532 122.856 121.300 0.040 0.000 2.600 123 W HA 0.311 4.972 4.660 0.000 0.000 0.325 123 W C -0.680 175.855 176.519 0.026 0.000 1.034 123 W CA -0.462 56.898 57.345 0.025 0.000 1.226 123 W CB 1.641 31.110 29.460 0.016 0.000 1.379 123 W HN 0.465 nan 8.180 nan 0.000 0.466 124 D N 3.692 124.297 120.400 0.342 0.000 2.470 124 D HA 0.053 4.693 4.640 0.001 0.000 0.226 124 D C 1.199 177.587 176.300 0.146 0.000 1.196 124 D CA 0.229 54.333 54.000 0.173 0.000 0.979 124 D CB 1.096 41.971 40.800 0.124 0.000 1.059 124 D HN 0.110 nan 8.370 nan 0.000 0.515 125 V N 1.684 121.624 119.914 0.043 0.000 2.261 125 V HA -0.143 3.978 4.120 0.001 0.000 0.246 125 V C 1.151 177.128 176.094 -0.195 0.000 1.047 125 V CA 1.102 63.284 62.300 -0.197 0.000 1.015 125 V CB -0.008 31.429 31.823 -0.643 0.000 0.642 125 V HN 0.255 nan 8.190 nan 0.000 0.446 126 V N 0.392 120.193 119.914 -0.189 0.000 2.628 126 V HA 0.513 4.634 4.120 0.001 0.000 0.306 126 V C -0.705 175.319 176.094 -0.118 0.000 1.045 126 V CA -0.685 61.604 62.300 -0.018 0.000 0.905 126 V CB 1.771 33.653 31.823 0.099 0.000 0.997 126 V HN 0.488 nan 8.190 nan 0.000 0.436 127 N N 1.709 120.376 118.700 -0.056 0.000 2.296 127 N HA 0.367 5.107 4.740 0.001 0.000 0.294 127 N C -0.485 175.050 175.510 0.042 0.000 1.033 127 N CA -0.555 52.316 53.050 -0.299 0.000 0.839 127 N CB 1.504 39.530 38.487 -0.768 0.000 1.395 127 N HN 0.748 nan 8.380 nan 0.000 0.479 128 E N 1.094 121.303 120.200 0.014 0.000 2.183 128 E HA -0.262 4.088 4.350 0.001 0.000 0.196 128 E C -0.198 176.684 176.600 0.470 0.000 1.364 128 E CA 0.591 57.182 56.400 0.317 0.000 0.700 128 E CB -1.351 28.723 29.700 0.624 0.000 1.106 128 E HN 0.561 nan 8.360 nan 0.000 0.347 129 A N 0.053 123.224 122.820 0.584 0.000 2.251 129 A HA 0.248 4.568 4.320 0.001 0.000 0.209 129 A C 0.172 177.928 177.584 0.286 0.000 1.187 129 A CA 0.246 52.621 52.037 0.564 0.000 0.823 129 A CB 0.264 19.654 19.000 0.650 0.000 0.846 129 A HN 0.233 nan 8.150 nan 0.000 0.486 130 F N -0.787 119.271 119.950 0.181 0.000 2.458 130 F HA 0.530 5.058 4.527 0.001 0.000 0.330 130 F C 0.906 176.719 175.800 0.022 0.000 1.082 130 F CA -0.863 57.186 58.000 0.081 0.000 0.995 130 F CB 1.638 40.675 39.000 0.061 0.000 1.170 130 F HN -0.052 nan 8.300 nan 0.000 0.478 131 S N 0.329 116.104 115.700 0.125 0.000 2.614 131 S HA 0.174 4.644 4.470 0.001 0.000 0.265 131 S C 0.316 174.986 174.600 0.116 0.000 1.303 131 S CA -0.505 57.745 58.200 0.084 0.000 1.000 131 S CB 0.456 63.677 63.200 0.035 0.000 0.935 131 S HN 0.633 nan 8.310 nan 0.000 0.551 132 D N 0.820 121.286 120.400 0.110 0.000 2.395 132 D HA 0.070 4.711 4.640 0.001 0.000 0.213 132 D C 0.553 176.892 176.300 0.065 0.000 1.110 132 D CA 0.175 54.252 54.000 0.127 0.000 0.835 132 D CB 0.150 41.072 40.800 0.202 0.000 0.965 132 D HN 0.734 nan 8.370 nan 0.000 0.505 133 D N 0.026 120.452 120.400 0.043 0.000 2.348 133 D HA -0.007 4.633 4.640 0.001 0.000 0.216 133 D C 1.650 177.937 176.300 -0.022 0.000 0.970 133 D CA 0.976 54.982 54.000 0.009 0.000 0.889 133 D CB -0.078 40.727 40.800 0.010 0.000 0.912 133 D HN 0.183 nan 8.370 nan 0.000 0.524 134 G N -0.400 108.387 108.800 -0.022 0.000 2.195 134 G HA2 -0.338 3.622 3.960 0.001 0.000 0.224 134 G HA3 -0.338 3.622 3.960 0.001 0.000 0.224 134 G C 1.226 176.110 174.900 -0.025 0.000 0.990 134 G CA 0.688 45.754 45.100 -0.057 0.000 0.639 134 G HN 0.656 nan 8.290 nan 0.000 0.514 135 S N 0.010 115.711 115.700 0.001 0.000 2.461 135 S HA 0.359 4.830 4.470 0.001 0.000 0.228 135 S C 2.411 177.032 174.600 0.035 0.000 1.005 135 S CA 1.648 59.853 58.200 0.008 0.000 0.942 135 S CB -0.096 63.108 63.200 0.006 0.000 0.776 135 S HN 2.400 nan 8.310 nan 0.000 0.514 136 G N 0.504 109.349 108.800 0.075 0.000 2.148 136 G HA2 -0.085 3.876 3.960 0.001 0.000 0.254 136 G HA3 -0.085 3.876 3.960 0.001 0.000 0.254 136 G C 0.355 175.384 174.900 0.215 0.000 0.981 136 G CA 0.089 45.274 45.100 0.143 0.000 0.670 136 G HN 1.091 nan 8.290 nan 0.000 0.528 137 G N -1.041 107.821 108.800 0.103 0.000 2.552 137 G HA2 0.632 4.592 3.960 0.001 0.000 0.318 137 G HA3 0.632 4.592 3.960 0.001 0.000 0.318 137 G C 0.122 174.893 174.900 -0.214 0.000 1.240 137 G CA -0.935 44.153 45.100 -0.021 0.000 1.002 137 G HN 0.319 nan 8.290 nan 0.000 0.493 138 R N 0.093 120.361 120.500 -0.387 0.000 2.537 138 R HA 0.107 4.447 4.340 0.001 0.000 0.280 138 R C 0.711 176.902 176.300 -0.182 0.000 1.058 138 R CA -0.246 55.583 56.100 -0.453 0.000 1.057 138 R CB 0.557 30.689 30.300 -0.280 0.000 0.973 138 R HN 0.764 nan 8.270 nan 0.000 0.438 139 R N 0.287 120.708 120.500 -0.131 0.000 2.491 139 R HA 0.086 4.426 4.340 0.001 0.000 0.283 139 R C -0.518 175.730 176.300 -0.087 0.000 1.072 139 R CA -0.437 55.611 56.100 -0.087 0.000 1.048 139 R CB 0.347 30.576 30.300 -0.118 0.000 0.983 139 R HN 0.389 nan 8.270 nan 0.000 0.450 140 D N 2.481 122.838 120.400 -0.072 0.000 2.344 140 D HA 0.085 4.726 4.640 0.001 0.000 0.253 140 D C -0.833 175.415 176.300 -0.087 0.000 1.255 140 D CA 0.157 54.115 54.000 -0.070 0.000 0.894 140 D CB 0.599 41.370 40.800 -0.049 0.000 1.067 140 D HN 0.664 nan 8.370 nan 0.000 0.492 141 S N 2.467 118.095 115.700 -0.121 0.000 2.704 141 S HA 0.316 4.787 4.470 0.001 0.000 0.296 141 S C 1.053 175.543 174.600 -0.184 0.000 1.138 141 S CA -0.850 57.271 58.200 -0.132 0.000 0.875 141 S CB 1.091 64.215 63.200 -0.126 0.000 1.151 141 S HN 0.407 nan 8.310 nan 0.000 0.500 142 N N 1.147 119.741 118.700 -0.177 0.000 2.205 142 N HA -0.123 4.617 4.740 0.001 0.000 0.186 142 N C 1.485 176.819 175.510 -0.293 0.000 1.015 142 N CA 1.496 54.432 53.050 -0.191 0.000 0.862 142 N CB -1.017 37.372 38.487 -0.164 0.000 0.986 142 N HN 0.627 nan 8.380 nan 0.000 0.429 143 L N -0.596 120.352 121.223 -0.458 0.000 2.056 143 L HA -0.132 4.209 4.340 0.001 0.000 0.207 143 L C 2.726 178.951 176.870 -1.075 0.000 1.078 143 L CA 1.399 55.741 54.840 -0.830 0.000 0.749 143 L CB -0.509 40.768 42.059 -1.302 0.000 0.901 143 L HN 0.234 nan 8.230 nan 0.000 0.433 144 Q N 0.641 119.935 119.800 -0.844 0.000 2.167 144 Q HA -0.158 4.182 4.340 0.001 0.000 0.202 144 Q C 2.097 177.999 176.000 -0.164 0.000 0.970 144 Q CA 1.477 57.035 55.803 -0.409 0.000 0.855 144 Q CB -0.047 28.641 28.738 -0.083 0.000 0.911 144 Q HN 0.295 nan 8.270 nan 0.000 0.438 145 R N -0.452 119.943 120.500 -0.175 0.000 2.280 145 R HA -0.022 4.318 4.340 0.001 0.000 0.207 145 R C 1.978 178.239 176.300 -0.066 0.000 1.043 145 R CA 1.323 57.369 56.100 -0.090 0.000 1.006 145 R CB -0.264 29.984 30.300 -0.088 0.000 0.885 145 R HN 0.471 nan 8.270 nan 0.000 0.467 146 T N -2.676 111.818 114.554 -0.099 0.000 3.055 146 T HA 0.152 4.502 4.350 0.001 0.000 0.265 146 T C 0.867 175.591 174.700 0.041 0.000 1.111 146 T CA 0.555 62.634 62.100 -0.035 0.000 1.118 146 T CB 0.491 69.331 68.868 -0.047 0.000 0.909 146 T HN 0.310 nan 8.240 nan 0.000 0.501 147 G N 0.688 109.534 108.800 0.078 0.000 2.312 147 G HA2 0.063 4.023 3.960 0.001 0.000 0.322 147 G HA3 0.063 4.023 3.960 0.001 0.000 0.322 147 G C -0.137 174.926 174.900 0.272 0.000 1.645 147 G CA -0.273 44.910 45.100 0.139 0.000 0.919 147 G HN 0.105 nan 8.290 nan 0.000 0.699 148 N N 0.593 119.423 118.700 0.216 0.000 2.348 148 N HA -0.140 4.600 4.740 0.001 0.000 0.185 148 N C 1.819 177.464 175.510 0.225 0.000 1.019 148 N CA 2.059 55.254 53.050 0.241 0.000 0.880 148 N CB 0.190 38.751 38.487 0.123 0.000 0.965 148 N HN 0.643 nan 8.380 nan 0.000 0.437 149 D N -0.349 120.172 120.400 0.202 0.000 2.349 149 D HA -0.131 4.510 4.640 0.001 0.000 0.224 149 D C 1.735 178.138 176.300 0.170 0.000 1.029 149 D CA -0.016 54.072 54.000 0.147 0.000 0.879 149 D CB -0.926 39.940 40.800 0.110 0.000 0.906 149 D HN 0.585 nan 8.370 nan 0.000 0.528 150 W N 1.598 122.957 121.300 0.099 0.000 2.342 150 W HA -0.148 4.512 4.660 0.001 0.000 0.297 150 W C 1.542 178.149 176.519 0.147 0.000 1.213 150 W CA 0.246 57.651 57.345 0.100 0.000 1.251 150 W CB -1.099 28.411 29.460 0.084 0.000 1.136 150 W HN -0.077 nan 8.180 nan 0.000 0.526 151 I N 1.338 121.515 120.570 -0.655 0.000 2.179 151 I HA -0.300 3.871 4.170 0.001 0.000 0.242 151 I C 2.795 178.943 176.117 0.052 0.000 1.088 151 I CA 2.260 63.279 61.300 -0.468 0.000 1.357 151 I CB -0.822 36.977 38.000 -0.334 0.000 1.051 151 I HN 0.032 nan 8.210 nan 0.000 0.409 152 E N 1.079 121.287 120.200 0.013 0.000 2.058 152 E HA -0.211 4.139 4.350 0.001 0.000 0.194 152 E C 2.317 178.883 176.600 -0.057 0.000 0.997 152 E CA 1.719 57.989 56.400 -0.216 0.000 0.801 152 E CB 0.115 29.648 29.700 -0.278 0.000 0.746 152 E HN 0.265 nan 8.360 nan 0.000 0.450 153 V N 1.268 121.191 119.914 0.015 0.000 2.332 153 V HA -0.298 3.823 4.120 0.001 0.000 0.248 153 V C 2.487 178.609 176.094 0.047 0.000 1.055 153 V CA 1.837 64.165 62.300 0.046 0.000 1.038 153 V CB -0.904 30.980 31.823 0.101 0.000 0.651 153 V HN 0.459 nan 8.190 nan 0.000 0.450 154 A N -0.416 122.434 122.820 0.049 0.000 1.883 154 A HA -0.233 4.087 4.320 0.001 0.000 0.217 154 A C 2.046 179.553 177.584 -0.128 0.000 1.186 154 A CA 2.134 54.151 52.037 -0.032 0.000 0.624 154 A CB -0.768 18.183 19.000 -0.081 0.000 0.822 154 A HN 0.475 nan 8.150 nan 0.000 0.444 155 F N -0.346 119.582 119.950 -0.037 0.000 2.186 155 F HA -0.063 4.464 4.527 0.001 0.000 0.299 155 F C 2.585 178.349 175.800 -0.060 0.000 1.090 155 F CA 1.572 59.545 58.000 -0.045 0.000 1.307 155 F CB -0.255 38.692 39.000 -0.088 0.000 1.019 155 F HN 0.105 nan 8.300 nan 0.000 0.489 156 R N -0.536 120.017 120.500 0.088 0.000 2.075 156 R HA -0.112 4.228 4.340 0.001 0.000 0.232 156 R C 2.102 178.414 176.300 0.021 0.000 1.126 156 R CA 1.917 58.035 56.100 0.031 0.000 0.963 156 R CB -1.007 29.291 30.300 -0.004 0.000 0.858 156 R HN 0.201 nan 8.270 nan 0.000 0.435 157 T N 1.050 115.609 114.554 0.009 0.000 2.684 157 T HA -0.170 4.180 4.350 0.001 0.000 0.267 157 T C 2.000 176.682 174.700 -0.031 0.000 1.036 157 T CA 1.490 63.586 62.100 -0.007 0.000 1.148 157 T CB -0.332 68.534 68.868 -0.004 0.000 0.863 157 T HN 0.381 nan 8.240 nan 0.000 0.436 158 A N 1.871 124.659 122.820 -0.052 0.000 1.908 158 A HA -0.166 4.154 4.320 0.001 0.000 0.218 158 A C 2.266 179.841 177.584 -0.016 0.000 1.181 158 A CA 2.169 54.157 52.037 -0.082 0.000 0.627 158 A CB -0.599 18.329 19.000 -0.121 0.000 0.818 158 A HN 0.355 nan 8.150 nan 0.000 0.445 159 R N 0.211 120.733 120.500 0.036 0.000 2.083 159 R HA -0.054 4.286 4.340 0.001 0.000 0.237 159 R C 2.153 178.467 176.300 0.023 0.000 1.137 159 R CA 2.158 58.288 56.100 0.051 0.000 0.951 159 R CB -0.959 29.377 30.300 0.061 0.000 0.851 159 R HN 0.384 nan 8.270 nan 0.000 0.434 160 A N 0.246 123.072 122.820 0.009 0.000 1.902 160 A HA -0.015 4.305 4.320 0.001 0.000 0.217 160 A C 2.400 179.977 177.584 -0.012 0.000 1.181 160 A CA 1.790 53.827 52.037 0.001 0.000 0.623 160 A CB -1.087 17.912 19.000 -0.001 0.000 0.818 160 A HN 0.521 nan 8.150 nan 0.000 0.443 161 A N -1.173 121.630 122.820 -0.030 0.000 1.877 161 A HA -0.019 4.301 4.320 0.001 0.000 0.216 161 A C 0.994 178.556 177.584 -0.038 0.000 1.186 161 A CA 1.818 53.824 52.037 -0.053 0.000 0.620 161 A CB -0.133 18.806 19.000 -0.101 0.000 0.822 161 A HN 0.438 nan 8.150 nan 0.000 0.443 162 D N -2.926 117.465 120.400 -0.014 0.000 2.323 162 D HA 0.364 5.004 4.640 0.001 0.000 0.242 162 D C -2.576 173.755 176.300 0.053 0.000 1.347 162 D CA -1.556 52.459 54.000 0.025 0.000 0.988 162 D CB 1.321 42.157 40.800 0.059 0.000 1.314 162 D HN -0.105 nan 8.370 nan 0.000 0.564 163 P HA 0.057 nan 4.420 nan 0.000 0.226 163 P C 0.882 178.221 177.300 0.064 0.000 1.153 163 P CA 0.629 63.760 63.100 0.051 0.000 0.777 163 P CB 0.429 32.149 31.700 0.034 0.000 0.794 164 A N -0.832 122.029 122.820 0.068 0.000 2.169 164 A HA 0.384 4.704 4.320 0.001 0.000 0.212 164 A C 1.252 178.894 177.584 0.096 0.000 1.153 164 A CA 0.365 52.445 52.037 0.072 0.000 0.756 164 A CB -0.717 18.318 19.000 0.059 0.000 0.813 164 A HN 0.214 nan 8.150 nan 0.000 0.471 165 A N 0.433 123.334 122.820 0.136 0.000 2.309 165 A HA 0.531 4.852 4.320 0.001 0.000 0.298 165 A C 0.003 177.693 177.584 0.178 0.000 1.165 165 A CA -0.562 51.585 52.037 0.182 0.000 0.821 165 A CB 0.267 19.473 19.000 0.343 0.000 1.102 165 A HN 0.352 nan 8.150 nan 0.000 0.500 166 K N 1.914 122.409 120.400 0.158 0.000 2.339 166 K HA 0.333 4.653 4.320 0.001 0.000 0.286 166 K C -0.960 175.775 176.600 0.226 0.000 1.050 166 K CA 0.149 56.533 56.287 0.162 0.000 0.956 166 K CB 0.623 33.202 32.500 0.131 0.000 0.990 166 K HN 0.583 nan 8.250 nan 0.000 0.475 167 L N 4.308 125.688 121.223 0.262 0.000 2.257 167 L HA 0.299 4.640 4.340 0.001 0.000 0.290 167 L C -0.302 176.840 176.870 0.453 0.000 1.044 167 L CA -0.865 54.206 54.840 0.384 0.000 0.810 167 L CB 0.686 43.034 42.059 0.482 0.000 1.193 167 L HN 0.655 nan 8.230 nan 0.000 0.425 168 c N 1.998 120.846 118.600 0.413 0.000 2.454 168 c HA 0.456 5.027 4.570 0.001 0.000 0.336 168 c C -0.147 174.223 174.090 0.468 0.000 1.189 168 c CA -0.920 55.618 56.329 0.349 0.000 1.877 168 c CB 1.414 44.026 42.510 0.169 0.000 2.348 168 c HN 0.628 nan 8.230 nan 0.000 0.508 169 Y N 2.422 122.897 120.300 0.292 0.000 2.331 169 Y HA 0.509 5.059 4.550 0.001 0.000 0.338 169 Y C -0.231 175.665 175.900 -0.006 0.000 0.976 169 Y CA -0.267 57.994 58.100 0.268 0.000 1.137 169 Y CB 0.417 38.986 38.460 0.181 0.000 1.172 169 Y HN 0.782 nan 8.280 nan 0.000 0.478 170 N N 4.326 122.568 118.700 -0.763 0.000 2.362 170 N HA 0.434 5.174 4.740 0.001 0.000 0.298 170 N C -1.942 173.147 175.510 -0.701 0.000 1.048 170 N CA -0.257 52.439 53.050 -0.591 0.000 0.858 170 N CB 1.227 39.513 38.487 -0.336 0.000 1.218 170 N HN 0.779 nan 8.380 nan 0.000 0.488 171 D N 0.233 120.363 120.400 -0.449 0.000 2.671 171 D HA 0.231 4.872 4.640 0.001 0.000 0.273 171 D C -1.439 174.792 176.300 -0.115 0.000 1.264 171 D CA -0.304 53.547 54.000 -0.249 0.000 0.788 171 D CB 0.813 41.513 40.800 -0.166 0.000 1.324 171 D HN 0.410 nan 8.370 nan 0.000 0.424 172 Y N -0.307 119.973 120.300 -0.034 0.000 2.602 172 Y HA 0.534 5.084 4.550 0.001 0.000 0.330 172 Y C 0.826 176.755 175.900 0.048 0.000 1.114 172 Y CA -0.869 57.224 58.100 -0.012 0.000 1.182 172 Y CB 0.584 39.087 38.460 0.072 0.000 1.305 172 Y HN 0.597 nan 8.280 nan 0.000 0.502 173 N N 0.235 119.015 118.700 0.133 0.000 2.741 173 N HA -0.229 4.511 4.740 0.001 0.000 0.251 173 N C -0.060 175.456 175.510 0.009 0.000 1.112 173 N CA 0.950 54.023 53.050 0.040 0.000 0.750 173 N CB -0.969 37.674 38.487 0.260 0.000 1.119 173 N HN 0.795 nan 8.380 nan 0.000 0.561 174 I N -3.607 116.984 120.570 0.034 0.000 3.856 174 I HA 0.283 4.453 4.170 0.001 0.000 0.330 174 I C 0.774 177.103 176.117 0.355 0.000 1.546 174 I CA -0.370 61.015 61.300 0.142 0.000 1.132 174 I CB 0.504 38.527 38.000 0.040 0.000 1.157 174 I HN -0.130 nan 8.210 nan 0.000 0.440 175 E N 1.094 121.410 120.200 0.194 0.000 2.140 175 E HA 0.061 4.411 4.350 0.001 0.000 0.191 175 E C 0.750 177.472 176.600 0.204 0.000 0.973 175 E CA 0.335 56.887 56.400 0.254 0.000 0.829 175 E CB 0.021 29.636 29.700 -0.142 0.000 0.781 175 E HN 0.350 nan 8.360 nan 0.000 0.466 176 N N 0.952 119.597 118.700 -0.093 0.000 2.401 176 N HA -0.080 4.661 4.740 0.001 0.000 0.255 176 N C 0.163 175.748 175.510 0.125 0.000 1.110 176 N CA -0.033 52.942 53.050 -0.125 0.000 0.949 176 N CB 0.222 38.339 38.487 -0.616 0.000 1.110 176 N HN 0.301 nan 8.380 nan 0.000 0.490 177 W N 3.531 124.857 121.300 0.043 0.000 2.341 177 W HA -0.229 4.432 4.660 0.001 0.000 0.283 177 W C 1.170 177.747 176.519 0.096 0.000 1.215 177 W CA 1.932 59.317 57.345 0.067 0.000 1.211 177 W CB 0.126 29.589 29.460 0.006 0.000 1.131 177 W HN 0.621 nan 8.180 nan 0.000 0.552 178 T N -3.212 111.408 114.554 0.109 0.000 3.067 178 T HA -0.098 4.253 4.350 0.001 0.000 0.261 178 T C 0.335 175.133 174.700 0.162 0.000 1.110 178 T CA -0.106 62.033 62.100 0.066 0.000 1.113 178 T CB -0.620 68.352 68.868 0.174 0.000 0.917 178 T HN -0.066 nan 8.240 nan 0.000 0.499 179 W N 1.567 122.820 121.300 -0.078 0.000 2.181 179 W HA 0.665 5.325 4.660 0.001 0.000 0.335 179 W C 1.653 178.117 176.519 -0.092 0.000 1.310 179 W CA -0.982 56.334 57.345 -0.048 0.000 1.226 179 W CB 0.263 29.731 29.460 0.012 0.000 1.155 179 W HN 0.219 nan 8.180 nan 0.000 0.565 180 A N 2.990 125.856 122.820 0.077 0.000 1.908 180 A HA -0.240 4.081 4.320 0.001 0.000 0.218 180 A C 2.056 179.683 177.584 0.073 0.000 1.181 180 A CA 1.926 53.976 52.037 0.023 0.000 0.627 180 A CB -0.569 18.427 19.000 -0.006 0.000 0.818 180 A HN 0.724 nan 8.150 nan 0.000 0.445 181 K N -0.882 119.609 120.400 0.152 0.000 2.032 181 K HA -0.161 4.159 4.320 0.001 0.000 0.209 181 K C 2.060 178.687 176.600 0.045 0.000 1.048 181 K CA 1.962 58.341 56.287 0.153 0.000 0.927 181 K CB -0.370 32.256 32.500 0.210 0.000 0.712 181 K HN 0.484 nan 8.250 nan 0.000 0.441 182 T N 1.372 115.991 114.554 0.107 0.000 2.684 182 T HA -0.151 4.200 4.350 0.001 0.000 0.267 182 T C 1.805 176.511 174.700 0.011 0.000 1.036 182 T CA 1.205 63.371 62.100 0.111 0.000 1.148 182 T CB -0.176 68.780 68.868 0.147 0.000 0.863 182 T HN 0.273 nan 8.240 nan 0.000 0.436 183 Q N 0.512 120.228 119.800 -0.140 0.000 2.124 183 Q HA -0.006 4.335 4.340 0.001 0.000 0.202 183 Q C 2.712 178.673 176.000 -0.065 0.000 0.977 183 Q CA 1.623 57.306 55.803 -0.200 0.000 0.850 183 Q CB -1.117 27.480 28.738 -0.236 0.000 0.901 183 Q HN 0.628 nan 8.270 nan 0.000 0.429 184 G N 0.418 109.184 108.800 -0.057 0.000 2.459 184 G HA2 -0.220 3.741 3.960 0.001 0.000 0.217 184 G HA3 -0.220 3.741 3.960 0.001 0.000 0.217 184 G C 1.614 176.299 174.900 -0.358 0.000 1.183 184 G CA 1.198 46.288 45.100 -0.018 0.000 0.776 184 G HN 0.295 nan 8.290 nan 0.000 0.552 185 V N -0.091 119.399 119.914 -0.707 0.000 2.407 185 V HA -0.191 3.930 4.120 0.001 0.000 0.248 185 V C 2.277 178.252 176.094 -0.199 0.000 1.055 185 V CA 1.781 63.638 62.300 -0.739 0.000 1.049 185 V CB -0.718 30.814 31.823 -0.485 0.000 0.662 185 V HN 0.481 nan 8.190 nan 0.000 0.455 186 Y N 2.152 122.371 120.300 -0.135 0.000 2.097 186 Y HA -0.252 4.298 4.550 0.001 0.000 0.282 186 Y C 2.555 178.273 175.900 -0.303 0.000 1.152 186 Y CA 2.105 59.983 58.100 -0.370 0.000 1.136 186 Y CB -0.421 37.806 38.460 -0.388 0.000 0.975 186 Y HN 0.293 nan 8.280 nan 0.000 0.498 187 N N 0.234 118.805 118.700 -0.215 0.000 2.104 187 N HA -0.247 4.493 4.740 0.001 0.000 0.190 187 N C 2.070 177.381 175.510 -0.330 0.000 1.024 187 N CA 1.817 54.719 53.050 -0.247 0.000 0.853 187 N CB -0.652 37.789 38.487 -0.076 0.000 1.008 187 N HN 0.542 nan 8.380 nan 0.000 0.424 188 M N 0.799 120.183 119.600 -0.359 0.000 2.067 188 M HA -0.137 4.344 4.480 0.001 0.000 0.260 188 M C 1.713 177.526 176.300 -0.811 0.000 1.069 188 M CA 1.491 56.446 55.300 -0.574 0.000 1.117 188 M CB -0.051 32.199 32.600 -0.584 0.000 1.334 188 M HN -0.120 nan 8.290 nan 0.000 0.407 189 V N 0.671 120.204 119.914 -0.634 0.000 2.407 189 V HA -0.278 3.842 4.120 0.001 0.000 0.248 189 V C 2.565 178.456 176.094 -0.338 0.000 1.055 189 V CA 2.189 64.224 62.300 -0.443 0.000 1.049 189 V CB -1.141 30.581 31.823 -0.168 0.000 0.662 189 V HN 0.551 nan 8.190 nan 0.000 0.455 190 R N 0.321 120.536 120.500 -0.474 0.000 2.073 190 R HA -0.246 4.095 4.340 0.001 0.000 0.234 190 R C 2.183 178.361 176.300 -0.203 0.000 1.134 190 R CA 2.423 58.282 56.100 -0.401 0.000 0.952 190 R CB -0.531 29.437 30.300 -0.553 0.000 0.850 190 R HN 0.625 nan 8.270 nan 0.000 0.433 191 D N -0.389 119.896 120.400 -0.192 0.000 2.104 191 D HA -0.194 4.446 4.640 0.001 0.000 0.194 191 D C 1.776 178.140 176.300 0.107 0.000 0.994 191 D CA 1.331 55.301 54.000 -0.051 0.000 0.830 191 D CB -0.121 40.647 40.800 -0.053 0.000 0.959 191 D HN 0.147 nan 8.370 nan 0.000 0.452 192 F N 1.062 120.928 119.950 -0.139 0.000 2.095 192 F HA -0.106 4.422 4.527 0.001 0.000 0.298 192 F C 2.338 178.068 175.800 -0.118 0.000 1.104 192 F CA 0.979 58.896 58.000 -0.139 0.000 1.232 192 F CB -0.817 38.059 39.000 -0.207 0.000 0.987 192 F HN 0.012 nan 8.300 nan 0.000 0.475 193 K N 0.452 120.901 120.400 0.081 0.000 2.057 193 K HA -0.158 4.162 4.320 0.001 0.000 0.207 193 K C 1.941 178.543 176.600 0.003 0.000 1.049 193 K CA 1.115 57.410 56.287 0.015 0.000 0.931 193 K CB -0.869 31.619 32.500 -0.020 0.000 0.714 193 K HN 0.444 nan 8.250 nan 0.000 0.440 194 Q N 0.233 120.031 119.800 -0.003 0.000 2.124 194 Q HA -0.058 4.282 4.340 0.001 0.000 0.202 194 Q C 1.869 177.872 176.000 0.004 0.000 0.977 194 Q CA 1.135 56.934 55.803 -0.006 0.000 0.850 194 Q CB -0.060 28.669 28.738 -0.015 0.000 0.901 194 Q HN 0.253 nan 8.270 nan 0.000 0.429 195 R N -0.689 119.822 120.500 0.018 0.000 2.317 195 R HA 0.096 4.436 4.340 0.001 0.000 0.208 195 R C 0.731 177.023 176.300 -0.013 0.000 0.914 195 R CA 0.554 56.658 56.100 0.007 0.000 1.060 195 R CB 0.602 30.915 30.300 0.020 0.000 1.015 195 R HN 0.357 nan 8.270 nan 0.000 0.498 196 G N 1.234 110.025 108.800 -0.015 0.000 2.137 196 G HA2 -0.233 3.727 3.960 0.001 0.000 0.237 196 G HA3 -0.233 3.727 3.960 0.001 0.000 0.237 196 G C 0.106 174.967 174.900 -0.065 0.000 1.002 196 G CA -0.112 44.971 45.100 -0.029 0.000 0.702 196 G HN 0.125 nan 8.290 nan 0.000 0.515 197 V N 2.465 122.311 119.914 -0.113 0.000 2.521 197 V HA 0.316 4.437 4.120 0.001 0.000 0.286 197 V C -0.906 175.080 176.094 -0.180 0.000 1.034 197 V CA -0.669 61.478 62.300 -0.254 0.000 1.045 197 V CB 1.180 32.610 31.823 -0.654 0.000 0.974 197 V HN 0.310 nan 8.190 nan 0.000 0.480 198 P HA 0.244 nan 4.420 nan 0.000 0.266 198 P C -0.624 176.652 177.300 -0.040 0.000 1.419 198 P CA 0.423 63.503 63.100 -0.034 0.000 1.112 198 P CB 0.468 32.185 31.700 0.028 0.000 1.438 199 I N 2.702 123.209 120.570 -0.104 0.000 2.569 199 I HA 0.272 4.443 4.170 0.001 0.000 0.290 199 I C -0.049 176.063 176.117 -0.008 0.000 1.088 199 I CA -0.688 60.505 61.300 -0.178 0.000 1.047 199 I CB 2.504 40.233 38.000 -0.452 0.000 1.237 199 I HN 0.010 nan 8.210 nan 0.000 0.421 200 D N 5.797 126.244 120.400 0.079 0.000 2.454 200 D HA 0.147 4.788 4.640 0.001 0.000 0.214 200 D C 0.075 176.442 176.300 0.113 0.000 1.088 200 D CA 0.387 54.445 54.000 0.097 0.000 0.855 200 D CB 0.944 41.814 40.800 0.117 0.000 1.025 200 D HN 0.485 nan 8.370 nan 0.000 0.502 201 c N -0.162 118.516 118.600 0.131 0.000 3.311 201 c HA 0.660 5.231 4.570 0.001 0.000 0.325 201 c C -1.695 172.467 174.090 0.120 0.000 1.352 201 c CA -0.509 55.901 56.329 0.135 0.000 1.308 201 c CB 1.280 43.873 42.510 0.139 0.000 1.619 201 c HN -0.099 nan 8.230 nan 0.000 0.469 202 V N 2.732 122.686 119.914 0.067 0.000 2.487 202 V HA 0.753 4.873 4.120 0.001 0.000 0.298 202 V C 0.781 176.739 176.094 -0.227 0.000 1.028 202 V CA 0.437 62.658 62.300 -0.131 0.000 0.860 202 V CB 1.656 33.248 31.823 -0.385 0.000 0.991 202 V HN 1.308 nan 8.190 nan 0.000 0.427 203 G N 3.465 112.083 108.800 -0.303 0.000 2.322 203 G HA2 0.615 4.575 3.960 0.001 0.000 0.309 203 G HA3 0.615 4.575 3.960 0.001 0.000 0.309 203 G C -1.050 173.583 174.900 -0.445 0.000 1.121 203 G CA -0.248 44.718 45.100 -0.223 0.000 0.886 203 G HN 0.438 nan 8.290 nan 0.000 0.447 204 F N 1.538 121.436 119.950 -0.087 0.000 2.313 204 F HA 0.282 4.809 4.527 0.001 0.000 0.369 204 F C 1.708 177.397 175.800 -0.184 0.000 1.109 204 F CA -0.593 57.362 58.000 -0.074 0.000 1.132 204 F CB 1.808 40.892 39.000 0.141 0.000 1.291 204 F HN 0.544 nan 8.300 nan 0.000 0.496 205 Q N 1.330 121.020 119.800 -0.182 0.000 2.133 205 Q HA -0.215 4.126 4.340 0.001 0.000 0.208 205 Q C 0.782 176.423 176.000 -0.599 0.000 0.991 205 Q CA 1.745 57.305 55.803 -0.405 0.000 0.867 205 Q CB -0.151 28.410 28.738 -0.294 0.000 0.911 205 Q HN 0.784 nan 8.270 nan 0.000 0.417 206 S N 0.071 115.426 115.700 -0.574 0.000 3.783 206 S HA -0.123 4.348 4.470 0.001 0.000 0.360 206 S C -0.774 173.090 174.600 -1.227 0.000 1.006 206 S CA 0.112 57.653 58.200 -1.098 0.000 1.115 206 S CB -1.547 61.247 63.200 -0.677 0.000 0.893 206 S HN 0.413 nan 8.310 nan 0.000 0.475 207 H N 0.634 119.311 119.070 -0.654 0.000 3.008 207 H HA 0.319 4.875 4.556 0.001 0.000 0.268 207 H C 0.020 175.142 175.328 -0.342 0.000 1.323 207 H CA -0.070 55.791 56.048 -0.311 0.000 1.401 207 H CB -0.228 29.521 29.762 -0.021 0.000 1.556 207 H HN 0.264 nan 8.280 nan 0.000 0.502 208 F N 3.223 123.202 119.950 0.048 0.000 2.404 208 F HA 0.179 4.707 4.527 0.001 0.000 0.345 208 F C 0.837 176.652 175.800 0.025 0.000 1.110 208 F CA -0.670 57.330 58.000 0.000 0.000 1.130 208 F CB 0.900 39.868 39.000 -0.054 0.000 1.129 208 F HN 0.551 nan 8.300 nan 0.000 0.500 209 N N -1.515 117.319 118.700 0.223 0.000 3.277 209 N HA 0.186 4.926 4.740 0.001 0.000 0.278 209 N C 0.233 175.817 175.510 0.123 0.000 1.544 209 N CA -0.399 52.731 53.050 0.133 0.000 0.869 209 N CB 0.565 39.100 38.487 0.080 0.000 1.584 209 N HN 0.215 nan 8.380 nan 0.000 0.564 210 S N -1.495 114.260 115.700 0.091 0.000 2.383 210 S HA -0.054 4.417 4.470 0.001 0.000 0.229 210 S C 1.630 176.302 174.600 0.119 0.000 1.030 210 S CA 1.909 60.163 58.200 0.090 0.000 1.002 210 S CB -1.307 61.932 63.200 0.066 0.000 0.829 210 S HN 0.725 nan 8.310 nan 0.000 0.467 211 G N -0.401 108.476 108.800 0.128 0.000 2.403 211 G HA2 0.064 4.025 3.960 0.001 0.000 0.216 211 G HA3 0.064 4.025 3.960 0.001 0.000 0.216 211 G C 0.519 175.582 174.900 0.272 0.000 1.154 211 G CA 0.685 45.889 45.100 0.174 0.000 0.784 211 G HN 0.556 nan 8.290 nan 0.000 0.538 212 S N 1.886 117.724 115.700 0.230 0.000 2.216 212 S HA 0.376 4.846 4.470 0.001 0.000 0.156 212 S C -2.778 171.916 174.600 0.157 0.000 1.665 212 S CA -0.818 57.497 58.200 0.192 0.000 1.262 212 S CB 2.337 65.619 63.200 0.137 0.000 1.207 212 S HN 0.180 nan 8.310 nan 0.000 0.427 213 P HA 0.085 nan 4.420 nan 0.000 0.274 213 P C -0.533 176.748 177.300 -0.032 0.000 1.231 213 P CA -0.384 62.771 63.100 0.092 0.000 0.790 213 P CB 0.538 32.279 31.700 0.069 0.000 0.951 214 Y N 2.810 122.898 120.300 -0.354 0.000 2.511 214 Y HA 0.163 4.713 4.550 0.001 0.000 0.332 214 Y C 0.073 175.736 175.900 -0.396 0.000 1.177 214 Y CA 0.309 57.898 58.100 -0.852 0.000 1.422 214 Y CB 0.238 37.985 38.460 -1.189 0.000 1.271 214 Y HN 0.341 nan 8.280 nan 0.000 0.550 215 N N 2.789 120.756 118.700 -1.222 0.000 2.249 215 N HA 0.081 4.821 4.740 0.001 0.000 0.296 215 N C 0.336 175.210 175.510 -1.060 0.000 1.051 215 N CA 0.223 52.784 53.050 -0.814 0.000 0.815 215 N CB 2.039 40.309 38.487 -0.361 0.000 1.487 215 N HN 0.831 nan 8.380 nan 0.000 0.475 216 S N 2.641 117.980 115.700 -0.601 0.000 2.440 216 S HA -0.252 4.219 4.470 0.001 0.000 0.240 216 S C 1.206 175.710 174.600 -0.160 0.000 1.014 216 S CA 1.533 59.572 58.200 -0.268 0.000 0.980 216 S CB -0.579 62.590 63.200 -0.051 0.000 0.775 216 S HN 0.795 nan 8.310 nan 0.000 0.499 217 N N 1.014 119.625 118.700 -0.147 0.000 2.609 217 N HA -0.060 4.681 4.740 0.001 0.000 0.190 217 N C 1.010 176.523 175.510 0.005 0.000 1.157 217 N CA 0.485 53.506 53.050 -0.050 0.000 0.918 217 N CB -0.977 37.532 38.487 0.036 0.000 0.978 217 N HN 0.434 nan 8.380 nan 0.000 0.448 218 F N 1.773 121.591 119.950 -0.221 0.000 2.202 218 F HA -0.005 4.523 4.527 0.001 0.000 0.301 218 F C 2.300 178.019 175.800 -0.137 0.000 1.082 218 F CA 0.946 58.855 58.000 -0.151 0.000 1.313 218 F CB -0.311 38.614 39.000 -0.125 0.000 1.024 218 F HN 0.117 nan 8.300 nan 0.000 0.495 219 R N -0.480 119.903 120.500 -0.194 0.000 2.092 219 R HA -0.119 4.221 4.340 0.001 0.000 0.231 219 R C 1.967 178.087 176.300 -0.300 0.000 1.119 219 R CA 1.895 57.814 56.100 -0.301 0.000 0.970 219 R CB -0.518 29.689 30.300 -0.155 0.000 0.864 219 R HN 0.259 nan 8.270 nan 0.000 0.440 220 T N 0.039 114.439 114.554 -0.257 0.000 2.746 220 T HA -0.102 4.249 4.350 0.001 0.000 0.267 220 T C 1.678 176.090 174.700 -0.480 0.000 1.039 220 T CA 1.835 63.711 62.100 -0.374 0.000 1.142 220 T CB -0.305 68.321 68.868 -0.403 0.000 0.866 220 T HN 0.358 nan 8.240 nan 0.000 0.444 221 T N 2.621 117.016 114.554 -0.265 0.000 2.674 221 T HA 0.008 4.359 4.350 0.001 0.000 0.265 221 T C 2.006 176.690 174.700 -0.027 0.000 1.039 221 T CA 0.993 63.102 62.100 0.016 0.000 1.150 221 T CB -0.535 68.521 68.868 0.314 0.000 0.864 221 T HN 0.255 nan 8.240 nan 0.000 0.427 222 L N 0.716 121.708 121.223 -0.385 0.000 2.012 222 L HA -0.186 4.154 4.340 0.001 0.000 0.210 222 L C 2.925 179.713 176.870 -0.138 0.000 1.073 222 L CA 1.524 56.126 54.840 -0.397 0.000 0.748 222 L CB -0.692 40.990 42.059 -0.629 0.000 0.891 222 L HN 0.324 nan 8.230 nan 0.000 0.431 223 Q N -0.236 119.444 119.800 -0.201 0.000 2.084 223 Q HA -0.192 4.148 4.340 0.001 0.000 0.202 223 Q C 2.094 178.028 176.000 -0.111 0.000 0.978 223 Q CA 1.535 57.247 55.803 -0.152 0.000 0.844 223 Q CB -0.201 28.418 28.738 -0.198 0.000 0.898 223 Q HN 0.485 nan 8.270 nan 0.000 0.426 224 N N 0.209 118.785 118.700 -0.206 0.000 2.084 224 N HA -0.132 4.609 4.740 0.001 0.000 0.190 224 N C 1.504 177.071 175.510 0.094 0.000 1.030 224 N CA 1.208 54.133 53.050 -0.209 0.000 0.849 224 N CB -0.373 37.669 38.487 -0.741 0.000 1.012 224 N HN 0.168 nan 8.380 nan 0.000 0.423 225 F N 1.331 121.378 119.950 0.161 0.000 2.186 225 F HA -0.032 4.496 4.527 0.001 0.000 0.299 225 F C 2.359 178.235 175.800 0.126 0.000 1.090 225 F CA 0.948 59.103 58.000 0.257 0.000 1.307 225 F CB -0.483 38.731 39.000 0.356 0.000 1.019 225 F HN 0.015 nan 8.300 nan 0.000 0.489 226 A N -0.006 122.954 122.820 0.234 0.000 1.940 226 A HA -0.128 4.192 4.320 0.001 0.000 0.219 226 A C 2.332 179.962 177.584 0.076 0.000 1.176 226 A CA 1.694 53.802 52.037 0.119 0.000 0.631 226 A CB -1.277 17.747 19.000 0.040 0.000 0.814 226 A HN 0.298 nan 8.150 nan 0.000 0.446 227 A N -0.688 122.164 122.820 0.054 0.000 2.172 227 A HA 0.133 4.454 4.320 0.001 0.000 0.216 227 A C 1.869 179.473 177.584 0.034 0.000 1.154 227 A CA 1.002 53.055 52.037 0.028 0.000 0.701 227 A CB -0.490 18.513 19.000 0.005 0.000 0.789 227 A HN 0.481 nan 8.150 nan 0.000 0.465 228 L N -1.418 119.835 121.223 0.049 0.000 2.554 228 L HA 0.136 4.477 4.340 0.001 0.000 0.226 228 L C 1.595 178.475 176.870 0.017 0.000 1.137 228 L CA 0.625 55.466 54.840 0.002 0.000 0.863 228 L CB -0.191 41.835 42.059 -0.055 0.000 0.985 228 L HN 0.579 nan 8.230 nan 0.000 0.451 229 G N 0.757 109.583 108.800 0.043 0.000 2.130 229 G HA2 -0.205 3.755 3.960 0.001 0.000 0.216 229 G HA3 -0.205 3.755 3.960 0.001 0.000 0.216 229 G C 0.022 174.958 174.900 0.059 0.000 0.999 229 G CA 0.079 45.204 45.100 0.040 0.000 0.686 229 G HN 0.237 nan 8.290 nan 0.000 0.515 230 V N -3.203 116.768 119.914 0.094 0.000 3.001 230 V HA 0.875 4.996 4.120 0.001 0.000 0.314 230 V C -0.166 176.005 176.094 0.128 0.000 1.099 230 V CA -1.472 60.896 62.300 0.113 0.000 0.989 230 V CB 2.124 34.034 31.823 0.145 0.000 1.040 230 V HN 0.034 nan 8.190 nan 0.000 0.434 231 D N 1.368 121.839 120.400 0.118 0.000 2.354 231 D HA 0.598 5.238 4.640 0.001 0.000 0.247 231 D C -0.026 176.362 176.300 0.146 0.000 1.138 231 D CA 0.148 54.215 54.000 0.112 0.000 0.958 231 D CB 2.011 42.872 40.800 0.102 0.000 1.144 231 D HN 0.949 nan 8.370 nan 0.000 0.458 232 V N -3.034 116.959 119.914 0.131 0.000 2.914 232 V HA 0.949 5.070 4.120 0.001 0.000 0.314 232 V C -0.913 175.266 176.094 0.141 0.000 1.084 232 V CA -0.993 61.422 62.300 0.191 0.000 0.963 232 V CB 1.565 33.479 31.823 0.152 0.000 1.025 232 V HN 0.693 nan 8.190 nan 0.000 0.432 233 A N 3.246 126.194 122.820 0.213 0.000 2.517 233 A HA 0.846 5.167 4.320 0.001 0.000 0.297 233 A C -1.126 176.579 177.584 0.202 0.000 1.050 233 A CA -0.577 51.550 52.037 0.150 0.000 0.694 233 A CB 1.488 20.589 19.000 0.167 0.000 1.277 233 A HN 0.964 nan 8.150 nan 0.000 0.400 234 I N 2.724 123.367 120.570 0.121 0.000 2.291 234 I HA 0.213 4.384 4.170 0.001 0.000 0.292 234 I C 1.612 177.749 176.117 0.033 0.000 1.064 234 I CA 0.194 61.573 61.300 0.132 0.000 1.269 234 I CB 1.490 39.565 38.000 0.126 0.000 1.418 234 I HN 0.866 nan 8.210 nan 0.000 0.485 235 T N 0.844 115.379 114.554 -0.032 0.000 3.044 235 T HA 0.167 4.518 4.350 0.001 0.000 0.255 235 T C 0.836 175.411 174.700 -0.210 0.000 1.073 235 T CA 0.422 62.456 62.100 -0.109 0.000 1.125 235 T CB 0.059 68.820 68.868 -0.179 0.000 0.908 235 T HN 0.554 nan 8.240 nan 0.000 0.480 236 E N 0.802 120.775 120.200 -0.379 0.000 3.843 236 E HA 0.313 4.664 4.350 0.001 0.000 0.189 236 E C -1.069 175.251 176.600 -0.467 0.000 1.013 236 E CA -0.471 55.612 56.400 -0.528 0.000 1.395 236 E CB 0.703 29.649 29.700 -1.256 0.000 1.136 236 E HN 0.232 nan 8.360 nan 0.000 0.444 237 L N 3.019 124.131 121.223 -0.186 0.000 2.559 237 L HA 0.083 4.424 4.340 0.001 0.000 0.274 237 L C -0.704 176.245 176.870 0.132 0.000 1.205 237 L CA 0.762 55.544 54.840 -0.096 0.000 0.907 237 L CB 0.072 42.154 42.059 0.037 0.000 1.153 237 L HN 0.152 nan 8.230 nan 0.000 0.490 238 D N 4.140 124.600 120.400 0.100 0.000 2.886 238 D HA 0.423 5.063 4.640 0.001 0.000 0.216 238 D C -0.987 175.394 176.300 0.136 0.000 1.256 238 D CA -0.323 53.839 54.000 0.270 0.000 0.844 238 D CB 0.430 41.508 40.800 0.463 0.000 1.669 238 D HN 0.385 nan 8.370 nan 0.000 0.513 239 I N 1.039 121.658 120.570 0.081 0.000 2.418 239 I HA 0.242 4.412 4.170 0.001 0.000 0.287 239 I C 0.098 176.283 176.117 0.113 0.000 1.008 239 I CA -0.975 60.350 61.300 0.041 0.000 1.104 239 I CB 2.029 39.889 38.000 -0.233 0.000 1.264 239 I HN 0.400 nan 8.210 nan 0.000 0.438 240 Q N 5.275 125.138 119.800 0.106 0.000 2.239 240 Q HA 0.122 4.462 4.340 0.001 0.000 0.286 240 Q C 1.114 177.160 176.000 0.076 0.000 1.102 240 Q CA 1.351 57.202 55.803 0.080 0.000 0.936 240 Q CB 0.335 29.109 28.738 0.060 0.000 1.127 240 Q HN 1.020 nan 8.270 nan 0.000 0.380 241 G N 3.173 112.021 108.800 0.080 0.000 2.195 241 G HA2 -0.328 3.633 3.960 0.001 0.000 0.246 241 G HA3 -0.328 3.633 3.960 0.001 0.000 0.246 241 G C 0.509 175.470 174.900 0.101 0.000 0.984 241 G CA 0.133 45.274 45.100 0.069 0.000 0.633 241 G HN 1.868 nan 8.290 nan 0.000 0.525 242 A N -0.951 121.973 122.820 0.174 0.000 2.640 242 A HA 0.083 4.403 4.320 0.001 0.000 0.300 242 A C 1.328 179.066 177.584 0.256 0.000 1.499 242 A CA 1.852 54.085 52.037 0.327 0.000 0.759 242 A CB -1.952 17.220 19.000 0.286 0.000 1.048 242 A HN 2.481 nan 8.150 nan 0.000 0.450 243 S N -0.040 115.746 115.700 0.143 0.000 2.575 243 S HA 0.290 4.760 4.470 0.001 0.000 0.295 243 S C 1.538 176.218 174.600 0.133 0.000 1.267 243 S CA 0.458 58.703 58.200 0.076 0.000 1.074 243 S CB 0.511 63.718 63.200 0.011 0.000 0.829 243 S HN 1.030 nan 8.310 nan 0.000 0.497 244 S N 3.878 119.624 115.700 0.076 0.000 2.356 244 S HA -0.129 4.342 4.470 0.001 0.000 0.223 244 S C 2.302 176.953 174.600 0.085 0.000 1.032 244 S CA 1.535 59.792 58.200 0.096 0.000 1.005 244 S CB -0.615 62.619 63.200 0.056 0.000 0.867 244 S HN 1.017 nan 8.310 nan 0.000 0.449 245 S N 1.311 117.031 115.700 0.034 0.000 2.382 245 S HA -0.115 4.356 4.470 0.001 0.000 0.228 245 S C 1.858 176.420 174.600 -0.062 0.000 1.027 245 S CA 1.599 59.803 58.200 0.008 0.000 0.991 245 S CB -1.074 62.129 63.200 0.005 0.000 0.823 245 S HN 0.464 nan 8.310 nan 0.000 0.469 246 T N 0.689 115.178 114.554 -0.109 0.000 2.812 246 T HA 0.029 4.380 4.350 0.001 0.000 0.264 246 T C 1.463 175.967 174.700 -0.327 0.000 1.042 246 T CA 1.326 63.230 62.100 -0.327 0.000 1.140 246 T CB -0.540 68.144 68.868 -0.307 0.000 0.870 246 T HN 0.430 nan 8.240 nan 0.000 0.445 247 Y N 1.599 121.824 120.300 -0.124 0.000 2.181 247 Y HA -0.004 4.546 4.550 0.001 0.000 0.288 247 Y C 2.675 178.546 175.900 -0.048 0.000 1.146 247 Y CA 0.721 58.795 58.100 -0.043 0.000 1.164 247 Y CB -0.694 37.777 38.460 0.018 0.000 0.982 247 Y HN 0.201 nan 8.280 nan 0.000 0.515 248 A N -0.506 122.376 122.820 0.103 0.000 1.930 248 A HA -0.058 4.262 4.320 0.001 0.000 0.217 248 A C 2.411 179.991 177.584 -0.006 0.000 1.175 248 A CA 1.528 53.595 52.037 0.050 0.000 0.627 248 A CB -1.159 17.863 19.000 0.036 0.000 0.815 248 A HN 0.405 nan 8.150 nan 0.000 0.443 249 A N -0.415 122.344 122.820 -0.100 0.000 1.877 249 A HA -0.012 4.309 4.320 0.001 0.000 0.216 249 A C 2.214 179.732 177.584 -0.110 0.000 1.186 249 A CA 1.784 53.740 52.037 -0.135 0.000 0.620 249 A CB -1.006 17.821 19.000 -0.289 0.000 0.822 249 A HN 0.380 nan 8.150 nan 0.000 0.443 250 V N -0.083 119.697 119.914 -0.223 0.000 2.332 250 V HA -0.251 3.869 4.120 0.001 0.000 0.248 250 V C 2.757 178.917 176.094 0.111 0.000 1.055 250 V CA 2.519 64.835 62.300 0.026 0.000 1.038 250 V CB -1.331 30.516 31.823 0.040 0.000 0.651 250 V HN 0.624 nan 8.190 nan 0.000 0.450 251 T N 0.333 114.949 114.554 0.103 0.000 2.684 251 T HA -0.189 4.162 4.350 0.001 0.000 0.267 251 T C 1.819 176.553 174.700 0.057 0.000 1.036 251 T CA 1.721 63.894 62.100 0.121 0.000 1.148 251 T CB -0.412 68.545 68.868 0.148 0.000 0.863 251 T HN 0.433 nan 8.240 nan 0.000 0.436 252 N N 1.251 119.972 118.700 0.035 0.000 2.289 252 N HA -0.089 4.652 4.740 0.001 0.000 0.184 252 N C 1.459 176.965 175.510 -0.005 0.000 1.016 252 N CA 0.855 53.912 53.050 0.012 0.000 0.872 252 N CB -0.349 38.144 38.487 0.011 0.000 0.973 252 N HN 0.390 nan 8.380 nan 0.000 0.433 253 D N 0.215 120.618 120.400 0.005 0.000 2.117 253 D HA -0.097 4.543 4.640 0.001 0.000 0.198 253 D C 2.011 178.239 176.300 -0.120 0.000 0.982 253 D CA 0.542 54.510 54.000 -0.055 0.000 0.828 253 D CB -0.463 40.319 40.800 -0.030 0.000 0.967 253 D HN 0.204 nan 8.370 nan 0.000 0.464 254 c N 0.394 118.945 118.600 -0.082 0.000 2.466 254 c HA 0.011 4.582 4.570 0.001 0.000 0.278 254 c C 2.758 176.801 174.090 -0.078 0.000 1.288 254 c CA 0.185 56.452 56.329 -0.102 0.000 1.722 254 c CB -1.210 41.258 42.510 -0.070 0.000 2.017 254 c HN 0.274 nan 8.230 nan 0.000 0.488 255 L N 1.119 122.316 121.223 -0.044 0.000 2.265 255 L HA -0.055 4.285 4.340 0.001 0.000 0.215 255 L C 2.760 179.604 176.870 -0.043 0.000 1.117 255 L CA 1.360 56.180 54.840 -0.035 0.000 0.782 255 L CB -0.554 41.496 42.059 -0.015 0.000 0.914 255 L HN 0.449 nan 8.230 nan 0.000 0.441 256 A N -0.793 121.993 122.820 -0.056 0.000 2.208 256 A HA 0.158 4.478 4.320 0.001 0.000 0.209 256 A C 0.827 178.366 177.584 -0.075 0.000 1.161 256 A CA 0.280 52.280 52.037 -0.061 0.000 0.782 256 A CB 0.019 18.979 19.000 -0.065 0.000 0.816 256 A HN 0.134 nan 8.150 nan 0.000 0.477 257 V N 1.312 121.174 119.914 -0.087 0.000 2.326 257 V HA 0.150 4.270 4.120 0.001 0.000 0.281 257 V C 1.392 177.449 176.094 -0.062 0.000 1.015 257 V CA 0.175 62.423 62.300 -0.087 0.000 0.823 257 V CB 0.936 32.683 31.823 -0.127 0.000 1.009 257 V HN 0.564 nan 8.190 nan 0.000 0.436 258 S N 4.394 120.069 115.700 -0.043 0.000 2.420 258 S HA -0.160 4.311 4.470 0.001 0.000 0.237 258 S C 1.590 176.178 174.600 -0.019 0.000 1.023 258 S CA 0.941 59.125 58.200 -0.027 0.000 0.991 258 S CB -0.190 62.999 63.200 -0.018 0.000 0.792 258 S HN 0.651 nan 8.310 nan 0.000 0.488 259 R N 0.163 120.653 120.500 -0.017 0.000 2.299 259 R HA 0.194 4.534 4.340 0.001 0.000 0.197 259 R C 0.477 176.775 176.300 -0.003 0.000 0.971 259 R CA 0.105 56.208 56.100 0.004 0.000 1.030 259 R CB -1.035 29.279 30.300 0.023 0.000 0.932 259 R HN 0.509 nan 8.270 nan 0.000 0.477 260 c N 2.178 120.752 118.600 -0.042 0.000 2.520 260 c HA 0.188 4.758 4.570 0.001 0.000 0.369 260 c C 2.094 176.131 174.090 -0.089 0.000 1.244 260 c CA -0.608 55.680 56.329 -0.068 0.000 1.677 260 c CB -1.236 41.206 42.510 -0.114 0.000 2.324 260 c HN 0.427 nan 8.230 nan 0.000 0.557 261 L N 5.397 126.580 121.223 -0.067 0.000 2.131 261 L HA 0.199 4.539 4.340 0.001 0.000 0.210 261 L C 1.578 178.154 176.870 -0.491 0.000 1.092 261 L CA 1.288 56.074 54.840 -0.090 0.000 0.759 261 L CB -0.734 41.404 42.059 0.131 0.000 0.903 261 L HN 0.936 nan 8.230 nan 0.000 0.435 262 G N -0.865 107.513 108.800 -0.703 0.000 2.317 262 G HA2 0.391 4.351 3.960 0.001 0.000 0.293 262 G HA3 0.391 4.351 3.960 0.001 0.000 0.293 262 G C -1.815 172.667 174.900 -0.697 0.000 1.287 262 G CA -0.772 43.631 45.100 -1.163 0.000 0.850 262 G HN -0.099 nan 8.290 nan 0.000 0.515 263 I N 0.466 120.680 120.570 -0.592 0.000 2.498 263 I HA 0.516 4.687 4.170 0.001 0.000 0.290 263 I C -0.486 175.370 176.117 -0.434 0.000 1.032 263 I CA -0.642 60.413 61.300 -0.410 0.000 1.073 263 I CB 2.673 40.389 38.000 -0.473 0.000 1.251 263 I HN 0.371 nan 8.210 nan 0.000 0.426 264 T N 5.417 119.870 114.554 -0.168 0.000 2.792 264 T HA 0.445 4.795 4.350 0.001 0.000 0.280 264 T C -0.301 174.378 174.700 -0.035 0.000 0.990 264 T CA -0.525 61.524 62.100 -0.085 0.000 0.960 264 T CB 1.569 70.471 68.868 0.056 0.000 0.939 264 T HN 0.365 nan 8.240 nan 0.000 0.439 265 V N 1.276 121.203 119.914 0.021 0.000 2.539 265 V HA 0.468 4.589 4.120 0.001 0.000 0.292 265 V C 0.277 176.505 176.094 0.224 0.000 1.045 265 V CA -1.153 61.277 62.300 0.216 0.000 0.945 265 V CB 1.272 33.345 31.823 0.416 0.000 0.993 265 V HN 1.010 nan 8.190 nan 0.000 0.464 266 W N 5.075 126.399 121.300 0.040 0.000 1.371 266 W HA 0.534 5.195 4.660 0.001 0.000 0.482 266 W C 0.585 177.164 176.519 0.100 0.000 0.640 266 W CA 0.650 58.011 57.345 0.027 0.000 2.164 266 W CB -0.031 29.480 29.460 0.085 0.000 1.613 266 W HN 1.215 nan 8.180 nan 0.000 0.212 267 G N 0.032 108.768 108.800 -0.106 0.000 2.334 267 G HA2 -0.079 3.881 3.960 0.001 0.000 0.566 267 G HA3 -0.079 3.881 3.960 0.001 0.000 0.566 267 G C -0.533 174.368 174.900 0.002 0.000 1.413 267 G CA -0.689 44.365 45.100 -0.076 0.000 0.993 267 G HN 0.030 nan 8.290 nan 0.000 0.642 268 V N 0.565 120.489 119.914 0.015 0.000 2.326 268 V HA 0.264 4.384 4.120 0.001 0.000 0.237 268 V C 1.617 177.820 176.094 0.181 0.000 1.044 268 V CA 1.617 63.934 62.300 0.027 0.000 1.035 268 V CB -0.483 31.174 31.823 -0.276 0.000 0.675 268 V HN 0.701 nan 8.190 nan 0.000 0.470 269 R N 0.355 120.951 120.500 0.161 0.000 2.758 269 R HA 0.297 4.638 4.340 0.001 0.000 0.265 269 R C 0.704 177.122 176.300 0.198 0.000 1.016 269 R CA -0.664 55.562 56.100 0.210 0.000 1.040 269 R CB 0.699 31.093 30.300 0.156 0.000 1.152 269 R HN 0.152 nan 8.270 nan 0.000 0.503 270 D N 0.571 121.081 120.400 0.184 0.000 2.182 270 D HA -0.146 4.494 4.640 0.001 0.000 0.201 270 D C 1.592 177.968 176.300 0.126 0.000 0.986 270 D CA 1.999 56.092 54.000 0.155 0.000 0.847 270 D CB -0.123 40.750 40.800 0.122 0.000 0.942 270 D HN 0.674 nan 8.370 nan 0.000 0.467 271 T N -1.706 112.915 114.554 0.111 0.000 3.072 271 T HA -0.073 4.278 4.350 0.001 0.000 0.266 271 T C 1.135 175.888 174.700 0.089 0.000 1.127 271 T CA 0.657 62.809 62.100 0.086 0.000 1.107 271 T CB 0.083 68.992 68.868 0.069 0.000 0.910 271 T HN -0.020 nan 8.240 nan 0.000 0.513 272 D N 1.321 121.792 120.400 0.118 0.000 2.354 272 D HA 0.123 4.764 4.640 0.001 0.000 0.209 272 D C 0.943 177.317 176.300 0.124 0.000 1.015 272 D CA 0.167 54.232 54.000 0.108 0.000 0.867 272 D CB 0.131 41.035 40.800 0.173 0.000 0.933 272 D HN 0.434 nan 8.370 nan 0.000 0.520 273 S N 1.149 116.951 115.700 0.171 0.000 2.572 273 S HA 0.015 4.486 4.470 0.001 0.000 0.279 273 S C 1.335 176.116 174.600 0.301 0.000 1.341 273 S CA -0.780 57.584 58.200 0.272 0.000 1.043 273 S CB 0.576 63.930 63.200 0.257 0.000 0.887 273 S HN 0.340 nan 8.310 nan 0.000 0.516 274 W N 4.821 126.194 121.300 0.123 0.000 2.699 274 W HA 0.161 4.821 4.660 0.001 0.000 0.249 274 W C 0.446 177.014 176.519 0.081 0.000 1.280 274 W CA -0.003 57.407 57.345 0.108 0.000 1.345 274 W CB -0.746 28.816 29.460 0.170 0.000 1.128 274 W HN 0.632 nan 8.180 nan 0.000 0.642 275 R N 1.492 121.802 120.500 -0.317 0.000 2.881 275 R HA 0.079 4.420 4.340 0.001 0.000 0.331 275 R C 1.808 178.034 176.300 -0.123 0.000 1.207 275 R CA 0.480 56.328 56.100 -0.420 0.000 1.265 275 R CB 0.383 30.235 30.300 -0.746 0.000 1.351 275 R HN 0.056 nan 8.270 nan 0.000 0.613 276 S N -0.900 114.787 115.700 -0.022 0.000 2.387 276 S HA -0.171 4.299 4.470 0.001 0.000 0.230 276 S C 2.052 176.658 174.600 0.010 0.000 1.035 276 S CA 1.443 59.661 58.200 0.029 0.000 1.014 276 S CB -0.310 62.917 63.200 0.044 0.000 0.836 276 S HN 0.531 nan 8.310 nan 0.000 0.466 277 G N 1.382 110.171 108.800 -0.020 0.000 2.501 277 G HA2 -0.141 3.819 3.960 0.001 0.000 0.220 277 G HA3 -0.141 3.819 3.960 0.001 0.000 0.220 277 G C 0.895 175.789 174.900 -0.010 0.000 1.114 277 G CA 0.967 46.058 45.100 -0.014 0.000 0.757 277 G HN 0.556 nan 8.290 nan 0.000 0.559 278 D N 0.389 120.776 120.400 -0.021 0.000 2.340 278 D HA 0.051 4.691 4.640 0.001 0.000 0.217 278 D C 1.376 177.702 176.300 0.044 0.000 1.081 278 D CA 0.948 54.948 54.000 0.000 0.000 0.842 278 D CB -0.206 40.579 40.800 -0.026 0.000 0.934 278 D HN 0.353 nan 8.370 nan 0.000 0.511 279 T N 0.002 114.589 114.554 0.054 0.000 3.213 279 T HA -0.153 4.197 4.350 0.001 0.000 0.427 279 T C -1.815 172.962 174.700 0.128 0.000 0.772 279 T CA 0.088 62.238 62.100 0.084 0.000 2.150 279 T CB -1.028 67.876 68.868 0.059 0.000 1.655 279 T HN 0.156 nan 8.240 nan 0.000 0.584 280 P HA 0.372 nan 4.420 nan 0.000 0.261 280 P C 0.535 178.066 177.300 0.384 0.000 1.352 280 P CA -0.331 62.919 63.100 0.250 0.000 0.891 280 P CB 0.400 32.229 31.700 0.214 0.000 1.383 281 L N -0.954 120.460 121.223 0.319 0.000 2.491 281 L HA 0.408 4.748 4.340 0.001 0.000 0.264 281 L C 1.885 178.855 176.870 0.166 0.000 1.053 281 L CA -1.109 53.932 54.840 0.335 0.000 0.858 281 L CB 0.614 42.867 42.059 0.323 0.000 1.519 281 L HN -0.287 nan 8.230 nan 0.000 0.508 282 L N -0.548 120.752 121.223 0.130 0.000 2.567 282 L HA 0.214 4.554 4.340 0.001 0.000 0.225 282 L C -0.596 176.109 176.870 -0.276 0.000 1.119 282 L CA 0.356 55.125 54.840 -0.118 0.000 0.871 282 L CB 0.076 42.066 42.059 -0.115 0.000 1.036 282 L HN 0.229 nan 8.230 nan 0.000 0.459 283 F N -0.624 119.366 119.950 0.066 0.000 2.551 283 F HA 0.325 4.852 4.527 0.001 0.000 0.316 283 F C 0.386 176.199 175.800 0.022 0.000 1.089 283 F CA -0.956 57.054 58.000 0.016 0.000 0.915 283 F CB 1.116 40.124 39.000 0.014 0.000 1.186 283 F HN -0.175 nan 8.300 nan 0.000 0.456 284 N N 0.074 118.863 118.700 0.149 0.000 2.347 284 N HA 0.268 5.008 4.740 0.001 0.000 0.253 284 N C 1.228 176.805 175.510 0.112 0.000 1.274 284 N CA 0.163 53.267 53.050 0.091 0.000 0.941 284 N CB 0.623 39.125 38.487 0.026 0.000 1.200 284 N HN 0.863 nan 8.380 nan 0.000 0.514 285 G N -0.001 108.845 108.800 0.078 0.000 2.448 285 G HA2 -0.253 3.707 3.960 0.001 0.000 0.219 285 G HA3 -0.253 3.707 3.960 0.001 0.000 0.219 285 G C 0.741 175.676 174.900 0.058 0.000 1.127 285 G CA 0.899 46.043 45.100 0.072 0.000 0.766 285 G HN 0.815 nan 8.290 nan 0.000 0.552 286 D N -0.676 119.751 120.400 0.044 0.000 2.324 286 D HA 0.234 4.874 4.640 0.001 0.000 0.235 286 D C 1.698 178.019 176.300 0.036 0.000 1.095 286 D CA 0.475 54.493 54.000 0.030 0.000 0.871 286 D CB -0.558 40.248 40.800 0.011 0.000 0.906 286 D HN 0.428 nan 8.370 nan 0.000 0.522 287 G N 0.195 109.036 108.800 0.068 0.000 2.179 287 G HA2 -0.311 3.650 3.960 0.001 0.000 0.260 287 G HA3 -0.311 3.650 3.960 0.001 0.000 0.260 287 G C 0.425 175.417 174.900 0.153 0.000 0.977 287 G CA 0.493 45.645 45.100 0.088 0.000 0.641 287 G HN 0.865 nan 8.290 nan 0.000 0.533 288 S N -0.022 115.725 115.700 0.079 0.000 2.576 288 S HA 0.572 5.043 4.470 0.001 0.000 0.276 288 S C 0.298 174.865 174.600 -0.055 0.000 1.339 288 S CA -0.193 58.011 58.200 0.007 0.000 1.039 288 S CB 1.523 64.694 63.200 -0.048 0.000 0.902 288 S HN 0.461 nan 8.310 nan 0.000 0.516 289 K N 2.098 122.362 120.400 -0.226 0.000 2.350 289 K HA 0.178 4.498 4.320 0.001 0.000 0.279 289 K C 0.145 176.556 176.600 -0.314 0.000 1.027 289 K CA -0.031 55.933 56.287 -0.538 0.000 0.969 289 K CB 0.505 32.592 32.500 -0.690 0.000 0.954 289 K HN 0.575 nan 8.250 nan 0.000 0.474 290 K N 0.913 121.130 120.400 -0.305 0.000 2.090 290 K HA 0.225 4.545 4.320 0.001 0.000 0.249 290 K C 1.090 177.635 176.600 -0.091 0.000 0.995 290 K CA -0.404 55.786 56.287 -0.161 0.000 0.914 290 K CB 1.053 33.474 32.500 -0.131 0.000 1.057 290 K HN 0.609 nan 8.250 nan 0.000 0.462 291 A N 1.255 124.052 122.820 -0.038 0.000 1.948 291 A HA -0.233 4.088 4.320 0.001 0.000 0.220 291 A C 2.154 179.758 177.584 0.033 0.000 1.177 291 A CA 2.317 54.385 52.037 0.051 0.000 0.636 291 A CB -0.945 18.097 19.000 0.070 0.000 0.815 291 A HN 0.805 nan 8.150 nan 0.000 0.449 292 A N -1.552 121.248 122.820 -0.034 0.000 1.972 292 A HA -0.094 4.227 4.320 0.001 0.000 0.219 292 A C 2.075 179.538 177.584 -0.201 0.000 1.169 292 A CA 1.619 53.602 52.037 -0.090 0.000 0.635 292 A CB -0.761 18.147 19.000 -0.153 0.000 0.810 292 A HN 0.776 nan 8.150 nan 0.000 0.446 293 Y N 1.273 121.367 120.300 -0.344 0.000 2.097 293 Y HA -0.223 4.327 4.550 0.001 0.000 0.282 293 Y C 2.579 178.318 175.900 -0.269 0.000 1.152 293 Y CA 2.510 60.366 58.100 -0.408 0.000 1.136 293 Y CB -0.778 37.334 38.460 -0.580 0.000 0.975 293 Y HN 0.289 nan 8.280 nan 0.000 0.498 294 T N 0.795 115.362 114.554 0.021 0.000 2.833 294 T HA -0.164 4.186 4.350 0.001 0.000 0.269 294 T C 2.048 176.693 174.700 -0.091 0.000 1.054 294 T CA 1.201 63.295 62.100 -0.009 0.000 1.135 294 T CB -0.679 68.231 68.868 0.071 0.000 0.869 294 T HN 0.520 nan 8.240 nan 0.000 0.466 295 A N 0.874 123.658 122.820 -0.060 0.000 1.898 295 A HA 0.002 4.322 4.320 0.001 0.000 0.216 295 A C 2.553 180.087 177.584 -0.084 0.000 1.181 295 A CA 1.105 53.127 52.037 -0.025 0.000 0.620 295 A CB -0.817 18.210 19.000 0.045 0.000 0.819 295 A HN 0.363 nan 8.150 nan 0.000 0.442 296 V N -0.324 119.482 119.914 -0.180 0.000 2.307 296 V HA -0.205 3.916 4.120 0.001 0.000 0.245 296 V C 2.475 178.404 176.094 -0.276 0.000 1.045 296 V CA 1.850 64.031 62.300 -0.198 0.000 1.024 296 V CB -0.789 30.846 31.823 -0.313 0.000 0.651 296 V HN 0.571 nan 8.190 nan 0.000 0.449 297 L N 0.938 121.896 121.223 -0.441 0.000 2.042 297 L HA -0.159 4.181 4.340 0.001 0.000 0.210 297 L C 2.167 178.925 176.870 -0.186 0.000 1.076 297 L CA 2.013 56.627 54.840 -0.378 0.000 0.749 297 L CB -0.883 40.907 42.059 -0.448 0.000 0.893 297 L HN 0.317 nan 8.230 nan 0.000 0.432 298 N N -0.012 118.605 118.700 -0.137 0.000 2.188 298 N HA -0.093 4.647 4.740 0.001 0.000 0.184 298 N C 1.818 177.294 175.510 -0.056 0.000 1.018 298 N CA 1.436 54.441 53.050 -0.075 0.000 0.858 298 N CB -0.501 37.956 38.487 -0.051 0.000 0.989 298 N HN 0.524 nan 8.380 nan 0.000 0.426 299 A N 1.040 123.827 122.820 -0.054 0.000 1.898 299 A HA -0.010 4.311 4.320 0.001 0.000 0.216 299 A C 2.298 179.868 177.584 -0.023 0.000 1.181 299 A CA 0.825 52.847 52.037 -0.025 0.000 0.620 299 A CB -0.735 18.262 19.000 -0.005 0.000 0.819 299 A HN 0.205 nan 8.150 nan 0.000 0.442 300 L N -0.094 121.105 121.223 -0.040 0.000 2.131 300 L HA -0.162 4.178 4.340 0.001 0.000 0.210 300 L C 1.446 178.300 176.870 -0.027 0.000 1.092 300 L CA 0.945 55.771 54.840 -0.024 0.000 0.759 300 L CB -0.533 41.499 42.059 -0.044 0.000 0.903 300 L HN 0.344 nan 8.230 nan 0.000 0.435 301 N N 0.275 118.949 118.700 -0.043 0.000 2.449 301 N HA 0.015 4.755 4.740 0.001 0.000 0.191 301 N C 1.256 176.752 175.510 -0.023 0.000 1.161 301 N CA 0.989 54.019 53.050 -0.033 0.000 0.863 301 N CB 0.610 39.073 38.487 -0.040 0.000 0.980 301 N HN 0.438 nan 8.380 nan 0.000 0.458 302 G N -0.368 108.421 108.800 -0.019 0.000 2.141 302 G HA2 -0.145 3.816 3.960 0.001 0.000 0.231 302 G HA3 -0.145 3.816 3.960 0.001 0.000 0.231 302 G C 0.574 175.465 174.900 -0.014 0.000 0.984 302 G CA 0.381 45.473 45.100 -0.014 0.000 0.660 302 G HN 0.704 nan 8.290 nan 0.000 0.525 303 G N -0.765 108.025 108.800 -0.017 0.000 2.801 303 G HA2 0.121 4.082 3.960 0.001 0.000 0.244 303 G HA3 0.121 4.082 3.960 0.001 0.000 0.244 303 G C 0.602 175.494 174.900 -0.014 0.000 1.385 303 G CA 0.416 45.507 45.100 -0.015 0.000 0.894 303 G HN 1.602 nan 8.290 nan 0.000 0.562 304 S N -1.042 114.651 115.700 -0.012 0.000 2.633 304 S HA 0.469 4.939 4.470 0.001 0.000 0.257 304 S C 1.805 176.400 174.600 -0.009 0.000 1.265 304 S CA 0.205 58.398 58.200 -0.011 0.000 0.980 304 S CB 1.251 64.445 63.200 -0.011 0.000 1.017 304 S HN 0.914 nan 8.310 nan 0.000 0.577 305 S N 0.400 116.095 115.700 -0.008 0.000 2.439 305 S HA 0.075 4.545 4.470 0.001 0.000 0.224 305 S C 0.831 175.428 174.600 -0.004 0.000 1.029 305 S CA 0.453 58.649 58.200 -0.007 0.000 0.946 305 S CB 0.055 63.251 63.200 -0.007 0.000 0.797 305 S HN 0.894 nan 8.310 nan 0.000 0.504 306 T N 1.150 115.702 114.554 -0.003 0.000 2.856 306 T HA 0.568 4.918 4.350 0.001 0.000 0.283 306 T C -3.264 171.437 174.700 0.002 0.000 1.008 306 T CA -2.442 59.658 62.100 -0.000 0.000 0.997 306 T CB 1.199 70.068 68.868 0.001 0.000 0.992 306 T HN -0.224 nan 8.240 nan 0.000 0.454 307 P HA 0.202 nan 4.420 nan 0.000 0.258 307 P C -2.255 175.051 177.300 0.011 0.000 1.172 307 P CA -0.525 62.579 63.100 0.008 0.000 0.762 307 P CB -0.595 31.111 31.700 0.009 0.000 0.764 308 P HA 0.079 nan 4.420 nan 0.000 0.266 308 P C -2.218 175.098 177.300 0.027 0.000 1.193 308 P CA -0.632 62.478 63.100 0.018 0.000 0.770 308 P CB -0.715 31.000 31.700 0.025 0.000 0.836 309 P HA -0.005 nan 4.420 nan 0.000 0.261 309 P C 0.049 177.377 177.300 0.048 0.000 1.183 309 P CA 0.379 63.501 63.100 0.036 0.000 0.761 309 P CB 0.271 31.994 31.700 0.039 0.000 0.785 310 S N 3.758 119.482 115.700 0.039 0.000 3.983 310 S HA 0.427 4.897 4.470 0.001 0.000 0.194 310 S C 0.479 175.104 174.600 0.041 0.000 1.464 310 S CA 0.295 58.518 58.200 0.040 0.000 1.021 310 S CB -1.840 61.377 63.200 0.029 0.000 1.424 310 S HN 0.861 nan 8.310 nan 0.000 0.473 311 G N 1.289 110.123 108.800 0.056 0.000 2.977 311 G HA2 0.318 4.278 3.960 0.001 0.000 0.686 311 G HA3 0.318 4.278 3.960 0.001 0.000 0.686 311 G C 0.368 175.291 174.900 0.039 0.000 1.088 311 G CA -0.382 44.750 45.100 0.053 0.000 0.845 311 G HN 1.782 nan 8.290 nan 0.000 0.565 312 G N 0.001 108.826 108.800 0.041 0.000 3.414 312 G HA2 0.589 4.549 3.960 0.001 0.000 0.504 312 G HA3 0.589 4.549 3.960 0.001 0.000 0.504 312 G C 1.105 176.021 174.900 0.026 0.000 0.936 312 G CA 0.862 45.971 45.100 0.015 0.000 0.748 312 G HN 2.960 nan 8.290 nan 0.000 0.408 313 G N 1.260 110.086 108.800 0.043 0.000 2.489 313 G HA2 0.670 4.631 3.960 0.001 0.000 0.291 313 G HA3 0.670 4.631 3.960 0.001 0.000 0.291 313 G C -0.617 174.344 174.900 0.101 0.000 1.487 313 G CA -0.574 44.559 45.100 0.054 0.000 0.795 313 G HN 0.765 nan 8.290 nan 0.000 0.513 314 Q N -0.723 119.130 119.800 0.088 0.000 2.306 314 Q HA 0.576 4.917 4.340 0.001 0.000 0.241 314 Q C -0.304 175.762 176.000 0.109 0.000 0.948 314 Q CA -0.043 55.838 55.803 0.130 0.000 0.886 314 Q CB 1.862 30.655 28.738 0.091 0.000 1.227 314 Q HN 0.426 nan 8.270 nan 0.000 0.457 315 I N 2.075 122.707 120.570 0.103 0.000 2.448 315 I HA 0.285 4.455 4.170 0.001 0.000 0.281 315 I C -0.572 175.640 176.117 0.158 0.000 1.027 315 I CA -0.519 60.795 61.300 0.024 0.000 1.111 315 I CB 1.397 39.240 38.000 -0.261 0.000 1.236 315 I HN 0.380 nan 8.210 nan 0.000 0.452 316 K N 4.729 125.256 120.400 0.210 0.000 2.159 316 K HA 0.605 4.926 4.320 0.001 0.000 0.266 316 K C 0.173 176.918 176.600 0.242 0.000 0.975 316 K CA -0.450 55.971 56.287 0.223 0.000 0.865 316 K CB 1.620 34.184 32.500 0.107 0.000 1.087 316 K HN 0.690 nan 8.250 nan 0.000 0.446 317 G N 2.272 111.135 108.800 0.105 0.000 2.380 317 G HA2 0.136 4.097 3.960 0.001 0.000 0.262 317 G HA3 0.136 4.097 3.960 0.001 0.000 0.262 317 G C 0.877 175.590 174.900 -0.312 0.000 1.243 317 G CA -0.710 44.114 45.100 -0.461 0.000 0.865 317 G HN 0.519 nan 8.290 nan 0.000 0.513 318 V N 3.628 123.316 119.914 -0.377 0.000 2.295 318 V HA -0.141 3.979 4.120 0.001 0.000 0.246 318 V C 3.003 178.977 176.094 -0.201 0.000 1.049 318 V CA 2.558 64.721 62.300 -0.229 0.000 1.024 318 V CB -0.946 30.747 31.823 -0.215 0.000 0.648 318 V HN 0.791 nan 8.190 nan 0.000 0.447 319 G N -0.249 108.401 108.800 -0.252 0.000 2.422 319 G HA2 -0.224 3.736 3.960 0.001 0.000 0.218 319 G HA3 -0.224 3.736 3.960 0.001 0.000 0.218 319 G C 1.807 176.618 174.900 -0.147 0.000 1.140 319 G CA 1.372 46.361 45.100 -0.185 0.000 0.775 319 G HN 0.653 nan 8.290 nan 0.000 0.545 320 S N -1.202 114.401 115.700 -0.162 0.000 2.475 320 S HA 0.359 4.830 4.470 0.001 0.000 0.224 320 S C 1.982 176.536 174.600 -0.076 0.000 1.042 320 S CA 1.120 59.256 58.200 -0.106 0.000 0.935 320 S CB 0.023 63.167 63.200 -0.094 0.000 0.801 320 S HN 1.509 nan 8.310 nan 0.000 0.509 321 G N 1.496 110.251 108.800 -0.076 0.000 2.162 321 G HA2 -0.253 3.707 3.960 0.001 0.000 0.260 321 G HA3 -0.253 3.707 3.960 0.001 0.000 0.260 321 G C 0.104 175.000 174.900 -0.006 0.000 0.976 321 G CA 0.273 45.349 45.100 -0.040 0.000 0.655 321 G HN 0.618 nan 8.290 nan 0.000 0.533 322 R N -1.143 119.360 120.500 0.006 0.000 2.720 322 R HA 0.661 5.001 4.340 0.001 0.000 0.272 322 R C -0.036 176.345 176.300 0.135 0.000 0.991 322 R CA -0.404 55.728 56.100 0.055 0.000 1.010 322 R CB 1.327 31.644 30.300 0.027 0.000 1.141 322 R HN 0.202 nan 8.270 nan 0.000 0.494 323 c N 1.512 120.218 118.600 0.176 0.000 2.364 323 c HA 0.302 4.872 4.570 0.001 0.000 0.356 323 c C 0.005 174.234 174.090 0.232 0.000 1.201 323 c CA -0.725 55.731 56.329 0.211 0.000 2.227 323 c CB 0.582 43.204 42.510 0.186 0.000 2.387 323 c HN 0.583 nan 8.230 nan 0.000 0.546 324 L N 3.862 125.187 121.223 0.170 0.000 2.500 324 L HA 0.230 4.571 4.340 0.001 0.000 0.272 324 L C 0.078 177.141 176.870 0.322 0.000 1.149 324 L CA 1.197 56.078 54.840 0.068 0.000 0.897 324 L CB -0.348 41.468 42.059 -0.405 0.000 1.178 324 L HN 0.678 nan 8.230 nan 0.000 0.473 325 D N 4.020 124.587 120.400 0.279 0.000 2.787 325 D HA 0.228 4.868 4.640 0.001 0.000 0.246 325 D C -1.317 175.114 176.300 0.218 0.000 1.150 325 D CA -0.462 53.691 54.000 0.255 0.000 0.864 325 D CB 2.274 43.220 40.800 0.243 0.000 1.481 325 D HN 0.211 nan 8.370 nan 0.000 0.509 326 V N 4.840 124.850 119.914 0.159 0.000 2.368 326 V HA 0.247 4.367 4.120 0.001 0.000 0.266 326 V C -2.017 174.138 176.094 0.103 0.000 1.045 326 V CA -1.483 60.908 62.300 0.151 0.000 0.899 326 V CB 0.865 32.763 31.823 0.123 0.000 1.006 326 V HN 0.486 nan 8.190 nan 0.000 0.470 327 P HA -0.055 nan 4.420 nan 0.000 0.257 327 P C 0.538 177.854 177.300 0.027 0.000 1.153 327 P CA 0.733 63.858 63.100 0.041 0.000 0.762 327 P CB 0.018 31.753 31.700 0.059 0.000 0.743 328 N N 2.808 121.496 118.700 -0.021 0.000 2.708 328 N HA -0.297 4.444 4.740 0.001 0.000 0.251 328 N C 0.472 175.989 175.510 0.011 0.000 1.123 328 N CA 1.359 54.398 53.050 -0.018 0.000 0.739 328 N CB -1.732 36.748 38.487 -0.011 0.000 1.113 328 N HN 0.707 nan 8.380 nan 0.000 0.561 329 A N -1.383 121.471 122.820 0.057 0.000 2.860 329 A HA -0.261 4.059 4.320 0.001 0.000 0.267 329 A C 0.747 178.356 177.584 0.042 0.000 1.421 329 A CA 1.495 53.608 52.037 0.127 0.000 0.831 329 A CB -1.951 17.091 19.000 0.069 0.000 1.041 329 A HN 0.955 nan 8.150 nan 0.000 0.623 330 S N -0.458 115.274 115.700 0.054 0.000 2.572 330 S HA 0.454 4.925 4.470 0.001 0.000 0.279 330 S C 1.387 175.960 174.600 -0.045 0.000 1.341 330 S CA 0.941 59.135 58.200 -0.010 0.000 1.043 330 S CB 0.553 63.773 63.200 0.034 0.000 0.887 330 S HN 1.580 nan 8.310 nan 0.000 0.516 331 T N 0.360 114.822 114.554 -0.154 0.000 3.145 331 T HA 0.248 4.598 4.350 0.001 0.000 0.281 331 T C 0.247 174.921 174.700 -0.044 0.000 1.003 331 T CA -0.393 61.597 62.100 -0.184 0.000 0.901 331 T CB -0.204 68.433 68.868 -0.385 0.000 1.112 331 T HN 0.487 nan 8.240 nan 0.000 0.535 332 T N 3.695 118.246 114.554 -0.006 0.000 2.814 332 T HA 0.227 4.577 4.350 0.001 0.000 0.297 332 T C -0.226 174.514 174.700 0.065 0.000 0.956 332 T CA -0.206 61.904 62.100 0.017 0.000 1.123 332 T CB 0.425 69.307 68.868 0.023 0.000 0.902 332 T HN 0.245 nan 8.240 nan 0.000 0.528 333 D N 2.077 122.511 120.400 0.056 0.000 2.458 333 D HA 0.366 5.007 4.640 0.001 0.000 0.243 333 D C 1.365 177.773 176.300 0.180 0.000 1.146 333 D CA 1.335 55.408 54.000 0.121 0.000 0.877 333 D CB 0.568 41.389 40.800 0.034 0.000 1.176 333 D HN 0.844 nan 8.370 nan 0.000 0.461 334 G N 1.780 110.720 108.800 0.234 0.000 2.195 334 G HA2 -0.246 3.714 3.960 0.001 0.000 0.224 334 G HA3 -0.246 3.714 3.960 0.001 0.000 0.224 334 G C 0.525 175.512 174.900 0.144 0.000 0.990 334 G CA 0.043 45.254 45.100 0.184 0.000 0.639 334 G HN 0.570 nan 8.290 nan 0.000 0.514 335 T N 1.660 116.301 114.554 0.144 0.000 2.799 335 T HA 0.407 4.758 4.350 0.001 0.000 0.296 335 T C 0.414 175.196 174.700 0.137 0.000 0.947 335 T CA 0.467 62.642 62.100 0.126 0.000 1.141 335 T CB 1.444 70.388 68.868 0.126 0.000 0.891 335 T HN 0.537 nan 8.240 nan 0.000 0.533 336 Q N 3.448 123.317 119.800 0.115 0.000 2.304 336 Q HA 0.372 4.712 4.340 0.001 0.000 0.260 336 Q C 0.183 176.250 176.000 0.111 0.000 0.965 336 Q CA -0.822 55.046 55.803 0.108 0.000 0.898 336 Q CB 0.641 29.433 28.738 0.090 0.000 1.196 336 Q HN 0.653 nan 8.270 nan 0.000 0.402 337 V N 1.898 121.875 119.914 0.105 0.000 3.051 337 V HA 0.318 4.438 4.120 0.001 0.000 0.306 337 V C -0.332 175.817 176.094 0.092 0.000 1.083 337 V CA -0.231 62.134 62.300 0.109 0.000 1.104 337 V CB 1.049 32.909 31.823 0.061 0.000 1.027 337 V HN 1.003 nan 8.190 nan 0.000 0.483 338 Q N 2.570 122.443 119.800 0.122 0.000 2.687 338 Q HA 0.675 5.015 4.340 0.001 0.000 0.305 338 Q C -1.572 174.535 176.000 0.178 0.000 1.006 338 Q CA -1.158 54.729 55.803 0.140 0.000 0.763 338 Q CB 2.233 31.065 28.738 0.157 0.000 1.506 338 Q HN 0.718 nan 8.270 nan 0.000 0.459 339 L N 1.111 122.450 121.223 0.193 0.000 2.343 339 L HA 0.640 4.980 4.340 0.001 0.000 0.275 339 L C -1.204 175.826 176.870 0.267 0.000 1.056 339 L CA -0.811 54.155 54.840 0.210 0.000 0.804 339 L CB 1.067 43.215 42.059 0.148 0.000 1.203 339 L HN 0.678 nan 8.230 nan 0.000 0.440 340 Y N 0.605 120.979 120.300 0.123 0.000 2.565 340 Y HA 0.162 4.712 4.550 0.001 0.000 0.330 340 Y C -0.748 175.233 175.900 0.135 0.000 1.150 340 Y CA -1.164 57.009 58.100 0.121 0.000 1.055 340 Y CB 1.522 40.072 38.460 0.149 0.000 1.337 340 Y HN 0.559 nan 8.280 nan 0.000 0.457 341 D N 3.013 123.211 120.400 -0.337 0.000 2.658 341 D HA -0.045 4.595 4.640 0.001 0.000 0.230 341 D C -0.173 176.297 176.300 0.283 0.000 1.118 341 D CA 0.890 54.850 54.000 -0.067 0.000 0.848 341 D CB 0.386 41.068 40.800 -0.197 0.000 1.160 341 D HN 0.481 nan 8.370 nan 0.000 0.497 342 c N 4.858 123.582 118.600 0.207 0.000 2.648 342 c HA 0.246 4.816 4.570 0.001 0.000 0.419 342 c C 0.668 174.939 174.090 0.302 0.000 1.352 342 c CA -0.220 56.250 56.329 0.234 0.000 1.816 342 c CB -0.916 41.673 42.510 0.132 0.000 2.598 342 c HN 0.699 nan 8.230 nan 0.000 0.598 343 H N -0.794 118.341 119.070 0.108 0.000 2.981 343 H HA 0.337 4.893 4.556 0.001 0.000 0.327 343 H C -1.228 174.136 175.328 0.060 0.000 1.342 343 H CA -0.741 55.356 56.048 0.082 0.000 1.123 343 H CB 0.557 30.378 29.762 0.099 0.000 1.851 343 H HN 0.401 nan 8.280 nan 0.000 0.531 344 S N 0.380 116.102 115.700 0.038 0.000 2.429 344 S HA 0.583 5.054 4.470 0.001 0.000 0.292 344 S C -0.140 174.399 174.600 -0.102 0.000 1.183 344 S CA 0.225 58.399 58.200 -0.042 0.000 1.088 344 S CB -0.663 62.550 63.200 0.021 0.000 1.018 344 S HN 0.797 nan 8.310 nan 0.000 0.511 345 A N 2.512 125.202 122.820 -0.218 0.000 2.577 345 A HA 0.586 4.907 4.320 0.001 0.000 0.297 345 A C 0.966 178.444 177.584 -0.177 0.000 1.060 345 A CA -0.519 51.407 52.037 -0.185 0.000 0.697 345 A CB 0.390 19.211 19.000 -0.298 0.000 1.281 345 A HN 0.611 nan 8.150 nan 0.000 0.402 346 T N -0.393 114.098 114.554 -0.105 0.000 2.803 346 T HA -0.169 4.181 4.350 0.001 0.000 0.269 346 T C 1.119 175.633 174.700 -0.311 0.000 1.052 346 T CA 1.734 63.751 62.100 -0.138 0.000 1.136 346 T CB -0.572 68.300 68.868 0.008 0.000 0.864 346 T HN 0.863 nan 8.240 nan 0.000 0.467 347 N N 1.093 119.669 118.700 -0.207 0.000 2.575 347 N HA -0.055 4.685 4.740 0.001 0.000 0.192 347 N C 1.174 176.461 175.510 -0.372 0.000 1.200 347 N CA 0.340 53.193 53.050 -0.328 0.000 0.897 347 N CB -0.203 38.275 38.487 -0.015 0.000 0.990 347 N HN 0.602 nan 8.380 nan 0.000 0.449 348 Q N -0.890 118.695 119.800 -0.358 0.000 2.113 348 Q HA 0.187 4.528 4.340 0.001 0.000 0.225 348 Q C -0.532 175.332 176.000 -0.226 0.000 0.786 348 Q CA -0.204 55.489 55.803 -0.182 0.000 0.989 348 Q CB 0.831 29.499 28.738 -0.116 0.000 1.174 348 Q HN 0.239 nan 8.270 nan 0.000 0.470 349 Q N 0.218 119.752 119.800 -0.444 0.000 2.421 349 Q HA 0.154 4.494 4.340 0.001 0.000 0.242 349 Q C -1.330 174.385 176.000 -0.476 0.000 1.024 349 Q CA 0.198 55.814 55.803 -0.312 0.000 0.891 349 Q CB 0.338 28.939 28.738 -0.229 0.000 1.222 349 Q HN 0.120 nan 8.270 nan 0.000 0.483 350 W N 1.299 122.526 121.300 -0.122 0.000 2.520 350 W HA 0.380 5.040 4.660 0.001 0.000 0.323 350 W C 0.183 176.669 176.519 -0.054 0.000 1.062 350 W CA -0.501 56.775 57.345 -0.115 0.000 1.215 350 W CB 1.464 30.836 29.460 -0.146 0.000 1.340 350 W HN 0.160 nan 8.180 nan 0.000 0.516 351 T N 2.867 117.530 114.554 0.181 0.000 2.786 351 T HA 0.159 4.509 4.350 0.001 0.000 0.283 351 T C -1.504 173.320 174.700 0.206 0.000 0.992 351 T CA -0.484 61.703 62.100 0.144 0.000 0.954 351 T CB 0.386 69.292 68.868 0.064 0.000 0.934 351 T HN 0.169 nan 8.240 nan 0.000 0.440 352 Y N 4.528 124.866 120.300 0.063 0.000 2.425 352 Y HA 0.385 4.936 4.550 0.001 0.000 0.347 352 Y C 0.975 176.906 175.900 0.052 0.000 0.976 352 Y CA -0.969 57.164 58.100 0.056 0.000 1.190 352 Y CB 0.033 38.513 38.460 0.034 0.000 1.136 352 Y HN 0.721 nan 8.280 nan 0.000 0.517 353 T N 0.827 115.217 114.554 -0.274 0.000 2.847 353 T HA 0.139 4.489 4.350 0.001 0.000 0.279 353 T C 0.864 175.333 174.700 -0.385 0.000 0.984 353 T CA -0.594 61.366 62.100 -0.235 0.000 0.988 353 T CB 0.917 69.709 68.868 -0.127 0.000 1.040 353 T HN 0.570 nan 8.240 nan 0.000 0.528 354 D N 0.703 120.987 120.400 -0.193 0.000 2.263 354 D HA -0.019 4.621 4.640 0.001 0.000 0.208 354 D C 2.081 178.291 176.300 -0.151 0.000 0.971 354 D CA 1.299 55.212 54.000 -0.146 0.000 0.867 354 D CB -0.452 40.315 40.800 -0.056 0.000 0.929 354 D HN 0.756 nan 8.370 nan 0.000 0.492 355 A N -0.242 122.484 122.820 -0.156 0.000 2.206 355 A HA 0.343 4.663 4.320 0.001 0.000 0.211 355 A C 1.770 179.250 177.584 -0.173 0.000 1.158 355 A CA 1.193 53.156 52.037 -0.125 0.000 0.761 355 A CB -0.066 18.876 19.000 -0.097 0.000 0.801 355 A HN 0.255 nan 8.150 nan 0.000 0.473 356 G N -0.700 107.902 108.800 -0.331 0.000 2.131 356 G HA2 -0.186 3.775 3.960 0.001 0.000 0.223 356 G HA3 -0.186 3.775 3.960 0.001 0.000 0.223 356 G C -0.207 174.634 174.900 -0.099 0.000 0.990 356 G CA 0.190 45.086 45.100 -0.341 0.000 0.671 356 G HN 0.607 nan 8.290 nan 0.000 0.521 357 E N -0.673 119.458 120.200 -0.116 0.000 2.318 357 E HA 0.640 4.991 4.350 0.001 0.000 0.265 357 E C 0.029 176.755 176.600 0.209 0.000 1.069 357 E CA -0.586 55.888 56.400 0.123 0.000 0.893 357 E CB 1.349 31.084 29.700 0.059 0.000 1.076 357 E HN 0.199 nan 8.360 nan 0.000 0.414 358 L N 2.794 124.198 121.223 0.302 0.000 2.337 358 L HA 0.341 4.682 4.340 0.001 0.000 0.269 358 L C -0.107 176.982 176.870 0.365 0.000 1.018 358 L CA -0.309 54.692 54.840 0.268 0.000 0.876 358 L CB 0.610 42.639 42.059 -0.049 0.000 1.236 358 L HN 0.275 nan 8.230 nan 0.000 0.436 359 R N 1.762 122.419 120.500 0.261 0.000 2.459 359 R HA 0.665 5.005 4.340 0.001 0.000 0.281 359 R C -0.871 175.400 176.300 -0.047 0.000 1.050 359 R CA -0.576 55.609 56.100 0.142 0.000 1.055 359 R CB 2.617 32.958 30.300 0.068 0.000 1.045 359 R HN 0.247 nan 8.270 nan 0.000 0.495 360 V N 3.477 123.230 119.914 -0.269 0.000 2.888 360 V HA 0.215 4.336 4.120 0.001 0.000 0.309 360 V C -1.055 174.776 176.094 -0.438 0.000 1.114 360 V CA -0.416 61.441 62.300 -0.739 0.000 0.940 360 V CB 1.280 32.183 31.823 -1.534 0.000 1.021 360 V HN 0.921 nan 8.190 nan 0.000 0.426 361 Y N 4.047 124.206 120.300 -0.236 0.000 4.881 361 Y HA -0.233 4.317 4.550 0.001 0.000 0.241 361 Y C 1.693 177.538 175.900 -0.092 0.000 0.985 361 Y CA 1.596 59.607 58.100 -0.147 0.000 1.976 361 Y CB -1.925 36.458 38.460 -0.128 0.000 1.528 361 Y HN 1.713 nan 8.280 nan 0.000 0.581 362 G N -0.739 108.075 108.800 0.023 0.000 2.383 362 G HA2 -0.358 3.602 3.960 0.001 0.000 0.229 362 G HA3 -0.358 3.602 3.960 0.001 0.000 0.229 362 G C 0.476 175.400 174.900 0.040 0.000 1.089 362 G CA 0.643 45.758 45.100 0.025 0.000 0.640 362 G HN 0.502 nan 8.290 nan 0.000 0.510 363 D N 0.211 120.651 120.400 0.066 0.000 2.636 363 D HA 0.296 4.937 4.640 0.001 0.000 0.270 363 D C 0.196 176.551 176.300 0.091 0.000 1.430 363 D CA -0.034 54.006 54.000 0.067 0.000 0.796 363 D CB 0.161 40.990 40.800 0.048 0.000 1.117 363 D HN 0.207 nan 8.370 nan 0.000 0.480 364 K N -0.013 120.456 120.400 0.114 0.000 2.203 364 K HA 0.548 4.869 4.320 0.001 0.000 0.251 364 K C -0.808 175.893 176.600 0.168 0.000 0.944 364 K CA -0.558 55.820 56.287 0.151 0.000 0.829 364 K CB 1.843 34.474 32.500 0.218 0.000 1.125 364 K HN -0.020 nan 8.250 nan 0.000 0.430 365 c N 1.982 120.727 118.600 0.243 0.000 2.507 365 c HA 0.364 4.935 4.570 0.001 0.000 0.319 365 c C -0.200 174.111 174.090 0.369 0.000 1.208 365 c CA -0.991 55.516 56.329 0.296 0.000 1.619 365 c CB 1.098 43.766 42.510 0.263 0.000 2.230 365 c HN 0.751 nan 8.230 nan 0.000 0.492 366 L N 4.097 125.546 121.223 0.377 0.000 2.513 366 L HA 0.250 4.590 4.340 0.001 0.000 0.272 366 L C 0.070 177.213 176.870 0.454 0.000 1.187 366 L CA 1.433 56.407 54.840 0.224 0.000 0.895 366 L CB -0.060 41.798 42.059 -0.334 0.000 1.147 366 L HN 0.678 nan 8.230 nan 0.000 0.483 367 D N 4.219 124.855 120.400 0.394 0.000 2.780 367 D HA 0.553 5.194 4.640 0.001 0.000 0.242 367 D C -1.478 175.022 176.300 0.333 0.000 1.135 367 D CA -0.485 53.747 54.000 0.388 0.000 0.859 367 D CB 2.181 43.181 40.800 0.333 0.000 1.530 367 D HN 0.679 nan 8.370 nan 0.000 0.493 368 A N 2.133 125.112 122.820 0.265 0.000 2.260 368 A HA 0.631 4.952 4.320 0.001 0.000 0.314 368 A C 0.048 177.678 177.584 0.076 0.000 1.257 368 A CA -0.478 51.668 52.037 0.183 0.000 0.871 368 A CB 1.089 20.162 19.000 0.123 0.000 1.166 368 A HN 0.524 nan 8.150 nan 0.000 0.522 369 A N 2.682 125.541 122.820 0.066 0.000 3.168 369 A HA 0.624 4.945 4.320 0.001 0.000 0.260 369 A C 0.830 178.425 177.584 0.018 0.000 1.598 369 A CA 0.465 52.514 52.037 0.021 0.000 1.285 369 A CB -1.096 17.919 19.000 0.025 0.000 1.149 369 A HN 2.525 nan 8.150 nan 0.000 0.630 370 G N -0.796 108.010 108.800 0.010 0.000 2.361 370 G HA2 0.308 4.268 3.960 0.001 0.000 0.331 370 G HA3 0.308 4.268 3.960 0.001 0.000 0.331 370 G C 0.149 175.045 174.900 -0.006 0.000 1.324 370 G CA 0.348 45.449 45.100 0.003 0.000 0.984 370 G HN 1.073 nan 8.290 nan 0.000 0.586 371 T N -2.478 112.067 114.554 -0.015 0.000 3.043 371 T HA 0.578 4.929 4.350 0.001 0.000 0.272 371 T C 1.121 175.801 174.700 -0.033 0.000 0.990 371 T CA 1.288 63.370 62.100 -0.029 0.000 0.897 371 T CB 0.730 69.575 68.868 -0.038 0.000 1.111 371 T HN 1.755 nan 8.240 nan 0.000 0.529 372 G N 1.211 109.994 108.800 -0.028 0.000 2.488 372 G HA2 0.522 4.483 3.960 0.001 0.000 0.318 372 G HA3 0.522 4.483 3.960 0.001 0.000 0.318 372 G C -0.512 174.350 174.900 -0.063 0.000 1.188 372 G CA -0.826 44.243 45.100 -0.052 0.000 0.944 372 G HN 0.195 nan 8.290 nan 0.000 0.495 373 N N -0.435 118.178 118.700 -0.146 0.000 2.407 373 N HA 0.255 4.995 4.740 0.001 0.000 0.250 373 N C 1.380 176.884 175.510 -0.011 0.000 1.236 373 N CA 1.450 54.362 53.050 -0.229 0.000 0.879 373 N CB 1.026 39.162 38.487 -0.584 0.000 1.088 373 N HN 1.154 nan 8.380 nan 0.000 0.450 374 G N 0.549 109.435 108.800 0.143 0.000 2.199 374 G HA2 -0.302 3.658 3.960 0.001 0.000 0.254 374 G HA3 -0.302 3.658 3.960 0.001 0.000 0.254 374 G C 0.264 175.230 174.900 0.109 0.000 0.982 374 G CA 0.544 45.743 45.100 0.164 0.000 0.632 374 G HN 0.651 nan 8.290 nan 0.000 0.529 375 T N 1.506 116.111 114.554 0.085 0.000 2.934 375 T HA 0.317 4.667 4.350 0.001 0.000 0.306 375 T C 0.691 175.449 174.700 0.097 0.000 1.042 375 T CA 0.836 62.982 62.100 0.075 0.000 1.145 375 T CB 1.045 69.951 68.868 0.062 0.000 0.982 375 T HN 0.570 nan 8.240 nan 0.000 0.544 376 K N 3.081 123.533 120.400 0.086 0.000 2.368 376 K HA 0.251 4.572 4.320 0.001 0.000 0.282 376 K C -0.871 175.793 176.600 0.106 0.000 1.035 376 K CA -0.488 55.853 56.287 0.091 0.000 0.973 376 K CB 0.432 32.980 32.500 0.080 0.000 0.957 376 K HN 0.298 nan 8.250 nan 0.000 0.474 377 V N 6.160 126.132 119.914 0.096 0.000 2.350 377 V HA 0.168 4.289 4.120 0.001 0.000 0.276 377 V C -0.058 176.085 176.094 0.082 0.000 1.028 377 V CA -0.354 62.000 62.300 0.090 0.000 0.860 377 V CB 0.831 32.652 31.823 -0.004 0.000 0.990 377 V HN 0.972 nan 8.190 nan 0.000 0.453 378 Q N 5.454 125.333 119.800 0.131 0.000 2.991 378 Q HA 0.782 5.123 4.340 0.001 0.000 0.322 378 Q C -0.753 175.383 176.000 0.227 0.000 0.978 378 Q CA -1.114 54.788 55.803 0.164 0.000 0.787 378 Q CB 2.577 31.416 28.738 0.169 0.000 1.492 378 Q HN 0.639 nan 8.270 nan 0.000 0.498 379 I N -2.062 118.666 120.570 0.263 0.000 2.493 379 I HA 0.765 4.935 4.170 0.001 0.000 0.298 379 I C -1.437 174.894 176.117 0.357 0.000 0.998 379 I CA -1.046 60.440 61.300 0.311 0.000 1.137 379 I CB 1.561 39.733 38.000 0.286 0.000 1.310 379 I HN 0.717 nan 8.210 nan 0.000 0.445 380 Y N 2.621 123.045 120.300 0.208 0.000 2.609 380 Y HA 0.446 4.996 4.550 0.001 0.000 0.336 380 Y C -0.397 175.629 175.900 0.210 0.000 1.129 380 Y CA -0.757 57.460 58.100 0.195 0.000 1.040 380 Y CB 2.205 40.798 38.460 0.221 0.000 1.310 380 Y HN 0.768 nan 8.280 nan 0.000 0.460 381 S N 2.094 117.577 115.700 -0.361 0.000 2.563 381 S HA 0.039 4.509 4.470 0.001 0.000 0.294 381 S C -0.452 174.272 174.600 0.207 0.000 1.279 381 S CA -0.136 57.982 58.200 -0.137 0.000 1.069 381 S CB -0.385 62.627 63.200 -0.314 0.000 0.828 381 S HN 0.622 nan 8.310 nan 0.000 0.497 382 c N 5.510 124.233 118.600 0.206 0.000 2.629 382 c HA 0.229 4.799 4.570 0.001 0.000 0.410 382 c C 1.483 175.766 174.090 0.321 0.000 1.339 382 c CA -0.480 55.995 56.329 0.243 0.000 1.810 382 c CB -1.062 41.532 42.510 0.140 0.000 2.549 382 c HN 1.093 nan 8.230 nan 0.000 0.589 383 W N 1.190 122.559 121.300 0.116 0.000 1.952 383 W HA 0.364 5.024 4.660 0.001 0.000 0.236 383 W C 0.711 177.271 176.519 0.068 0.000 0.880 383 W CA 0.293 57.692 57.345 0.089 0.000 1.095 383 W CB -0.720 28.809 29.460 0.116 0.000 0.933 383 W HN 0.889 nan 8.180 nan 0.000 0.553 384 G N 1.308 109.788 108.800 -0.533 0.000 2.179 384 G HA2 -0.133 3.828 3.960 0.001 0.000 0.220 384 G HA3 -0.133 3.828 3.960 0.001 0.000 0.220 384 G C 0.638 175.007 174.900 -0.885 0.000 0.990 384 G CA -0.168 44.612 45.100 -0.532 0.000 0.646 384 G HN 0.633 nan 8.290 nan 0.000 0.517 385 G N -0.188 107.514 108.800 -1.830 0.000 2.614 385 G HA2 0.397 4.358 3.960 0.001 0.000 0.239 385 G HA3 0.397 4.358 3.960 0.001 0.000 0.239 385 G C 0.618 175.143 174.900 -0.625 0.000 1.240 385 G CA 0.478 44.735 45.100 -1.405 0.000 0.842 385 G HN 0.063 nan 8.290 nan 0.000 0.584 386 D N 0.084 120.256 120.400 -0.380 0.000 2.310 386 D HA -0.128 4.513 4.640 0.001 0.000 0.212 386 D C 2.116 178.196 176.300 -0.368 0.000 0.965 386 D CA 0.818 54.632 54.000 -0.311 0.000 0.879 386 D CB 0.124 40.797 40.800 -0.210 0.000 0.921 386 D HN 0.586 nan 8.370 nan 0.000 0.510 387 N N 0.290 118.812 118.700 -0.297 0.000 2.521 387 N HA -0.115 4.626 4.740 0.001 0.000 0.188 387 N C 0.771 176.095 175.510 -0.309 0.000 1.146 387 N CA 0.342 53.226 53.050 -0.277 0.000 0.893 387 N CB 0.032 38.468 38.487 -0.085 0.000 0.975 387 N HN 0.283 nan 8.380 nan 0.000 0.451 388 Q N -0.750 118.840 119.800 -0.349 0.000 2.164 388 Q HA 0.235 4.576 4.340 0.001 0.000 0.226 388 Q C -0.562 175.273 176.000 -0.275 0.000 0.813 388 Q CA -0.227 55.487 55.803 -0.150 0.000 0.978 388 Q CB 0.871 29.555 28.738 -0.090 0.000 1.149 388 Q HN 0.037 nan 8.270 nan 0.000 0.489 389 K N 0.487 120.539 120.400 -0.581 0.000 2.159 389 K HA 0.392 4.713 4.320 0.001 0.000 0.266 389 K C -1.451 174.707 176.600 -0.736 0.000 0.975 389 K CA 0.122 56.151 56.287 -0.430 0.000 0.865 389 K CB 0.822 33.140 32.500 -0.303 0.000 1.087 389 K HN -0.058 nan 8.250 nan 0.000 0.446 390 W N 1.545 122.875 121.300 0.050 0.000 3.032 390 W HA 0.509 5.170 4.660 0.001 0.000 0.335 390 W C -0.296 176.304 176.519 0.136 0.000 1.154 390 W CA -0.807 56.577 57.345 0.065 0.000 1.204 390 W CB 1.291 30.773 29.460 0.036 0.000 1.416 390 W HN 0.145 nan 8.180 nan 0.000 0.521 391 R N 2.258 122.908 120.500 0.249 0.000 2.387 391 R HA 0.513 4.853 4.340 0.001 0.000 0.314 391 R C -0.795 175.534 176.300 0.048 0.000 0.958 391 R CA -0.943 55.243 56.100 0.144 0.000 0.846 391 R CB 1.192 31.536 30.300 0.073 0.000 1.147 391 R HN 0.425 nan 8.270 nan 0.000 0.447 392 L N 4.128 125.304 121.223 -0.078 0.000 2.358 392 L HA 0.249 4.589 4.340 0.001 0.000 0.274 392 L C 0.012 176.842 176.870 -0.067 0.000 1.136 392 L CA -0.691 54.053 54.840 -0.160 0.000 0.970 392 L CB -0.150 41.678 42.059 -0.385 0.000 1.314 392 L HN 0.412 nan 8.230 nan 0.000 0.427 393 N N 0.835 119.526 118.700 -0.014 0.000 2.453 393 N HA -0.030 4.711 4.740 0.001 0.000 0.253 393 N C 1.329 176.834 175.510 -0.008 0.000 1.252 393 N CA 0.211 53.262 53.050 0.003 0.000 0.917 393 N CB 1.296 39.798 38.487 0.025 0.000 1.117 393 N HN 0.545 nan 8.380 nan 0.000 0.442 394 S N -0.046 115.649 115.700 -0.009 0.000 2.419 394 S HA -0.188 4.283 4.470 0.001 0.000 0.233 394 S C 0.900 175.496 174.600 -0.007 0.000 1.016 394 S CA 1.169 59.361 58.200 -0.014 0.000 0.974 394 S CB -0.210 62.980 63.200 -0.017 0.000 0.786 394 S HN 0.703 nan 8.310 nan 0.000 0.492 395 D N 0.495 120.895 120.400 -0.000 0.000 2.349 395 D HA 0.253 4.893 4.640 0.001 0.000 0.224 395 D C 1.415 177.717 176.300 0.003 0.000 1.029 395 D CA 0.637 54.636 54.000 -0.001 0.000 0.879 395 D CB -0.685 40.115 40.800 0.000 0.000 0.906 395 D HN 0.600 nan 8.370 nan 0.000 0.528 396 G N -0.115 108.696 108.800 0.018 0.000 2.194 396 G HA2 -0.266 3.694 3.960 0.001 0.000 0.236 396 G HA3 -0.266 3.694 3.960 0.001 0.000 0.236 396 G C 0.383 175.359 174.900 0.128 0.000 0.987 396 G CA 0.286 45.414 45.100 0.047 0.000 0.635 396 G HN 0.821 nan 8.290 nan 0.000 0.520 397 S N -0.161 115.603 115.700 0.106 0.000 2.601 397 S HA 0.752 5.222 4.470 0.001 0.000 0.271 397 S C 0.048 174.733 174.600 0.142 0.000 1.305 397 S CA -0.536 57.767 58.200 0.171 0.000 1.022 397 S CB 1.895 65.161 63.200 0.109 0.000 0.940 397 S HN 0.615 nan 8.310 nan 0.000 0.525 398 I N 2.163 122.824 120.570 0.153 0.000 2.411 398 I HA 0.337 4.507 4.170 0.001 0.000 0.284 398 I C -1.073 175.147 176.117 0.170 0.000 1.012 398 I CA -0.884 60.446 61.300 0.050 0.000 1.119 398 I CB 1.817 39.687 38.000 -0.217 0.000 1.261 398 I HN 0.413 nan 8.210 nan 0.000 0.448 399 V N 4.834 124.866 119.914 0.197 0.000 2.483 399 V HA 0.515 4.636 4.120 0.001 0.000 0.295 399 V C 0.781 176.991 176.094 0.193 0.000 1.035 399 V CA -0.670 61.746 62.300 0.192 0.000 0.896 399 V CB 1.672 33.544 31.823 0.081 0.000 0.986 399 V HN 0.846 nan 8.190 nan 0.000 0.447 400 G N 2.533 111.372 108.800 0.065 0.000 2.380 400 G HA2 0.373 4.334 3.960 0.001 0.000 0.262 400 G HA3 0.373 4.334 3.960 0.001 0.000 0.262 400 G C 0.910 175.618 174.900 -0.319 0.000 1.243 400 G CA -0.283 44.545 45.100 -0.454 0.000 0.865 400 G HN 0.555 nan 8.290 nan 0.000 0.513 401 V N 2.017 121.696 119.914 -0.393 0.000 2.295 401 V HA -0.252 3.868 4.120 0.001 0.000 0.246 401 V C 2.838 178.803 176.094 -0.215 0.000 1.049 401 V CA 2.400 64.549 62.300 -0.252 0.000 1.024 401 V CB -0.652 31.022 31.823 -0.248 0.000 0.648 401 V HN 0.873 nan 8.190 nan 0.000 0.447 402 Q N 0.315 119.961 119.800 -0.258 0.000 2.016 402 Q HA -0.195 4.145 4.340 0.001 0.000 0.200 402 Q C 2.438 178.357 176.000 -0.135 0.000 0.978 402 Q CA 2.317 58.014 55.803 -0.177 0.000 0.833 402 Q CB -0.125 28.507 28.738 -0.177 0.000 0.895 402 Q HN 0.767 nan 8.270 nan 0.000 0.427 403 S N -1.659 113.950 115.700 -0.151 0.000 2.414 403 S HA 0.103 4.573 4.470 0.001 0.000 0.227 403 S C 1.536 176.091 174.600 -0.075 0.000 1.022 403 S CA 0.850 58.992 58.200 -0.097 0.000 0.958 403 S CB 0.102 63.254 63.200 -0.080 0.000 0.797 403 S HN 0.713 nan 8.310 nan 0.000 0.493 404 G N 0.493 109.243 108.800 -0.082 0.000 2.184 404 G HA2 -0.197 3.763 3.960 0.001 0.000 0.264 404 G HA3 -0.197 3.763 3.960 0.001 0.000 0.264 404 G C -0.177 174.713 174.900 -0.016 0.000 0.975 404 G CA 0.404 45.472 45.100 -0.053 0.000 0.642 404 G HN 0.485 nan 8.290 nan 0.000 0.536 405 L N 0.315 121.537 121.223 -0.002 0.000 2.399 405 L HA 0.699 5.040 4.340 0.001 0.000 0.265 405 L C 0.995 177.939 176.870 0.124 0.000 1.089 405 L CA -0.909 53.959 54.840 0.047 0.000 0.802 405 L CB 1.340 43.420 42.059 0.035 0.000 1.180 405 L HN 0.231 nan 8.230 nan 0.000 0.454 406 c N 1.955 120.647 118.600 0.152 0.000 2.405 406 c HA 0.446 5.016 4.570 0.001 0.000 0.365 406 c C 0.437 174.664 174.090 0.228 0.000 1.233 406 c CA -1.128 55.319 56.329 0.197 0.000 2.230 406 c CB 0.573 43.190 42.510 0.179 0.000 2.443 406 c HN 0.522 nan 8.230 nan 0.000 0.556 407 L N 3.526 124.873 121.223 0.207 0.000 2.455 407 L HA 0.197 4.537 4.340 0.001 0.000 0.272 407 L C 0.255 177.322 176.870 0.327 0.000 1.174 407 L CA 0.980 55.899 54.840 0.132 0.000 0.869 407 L CB 0.111 42.038 42.059 -0.219 0.000 1.130 407 L HN 0.689 nan 8.230 nan 0.000 0.474 408 D N 3.050 123.613 120.400 0.271 0.000 2.863 408 D HA 0.362 5.002 4.640 0.001 0.000 0.245 408 D C -0.950 175.463 176.300 0.190 0.000 1.211 408 D CA -0.499 53.639 54.000 0.230 0.000 0.888 408 D CB 2.220 43.128 40.800 0.181 0.000 1.483 408 D HN 0.510 nan 8.370 nan 0.000 0.533 409 A N 3.782 126.686 122.820 0.141 0.000 2.350 409 A HA 0.371 4.691 4.320 0.001 0.000 0.293 409 A C 0.529 178.123 177.584 0.015 0.000 1.231 409 A CA -0.457 51.637 52.037 0.094 0.000 0.883 409 A CB 0.198 19.209 19.000 0.018 0.000 1.133 409 A HN 0.455 nan 8.150 nan 0.000 0.533 410 V N 3.097 123.028 119.914 0.028 0.000 2.678 410 V HA 0.129 4.249 4.120 0.001 0.000 0.304 410 V C 1.761 177.829 176.094 -0.043 0.000 1.086 410 V CA 1.898 64.193 62.300 -0.008 0.000 1.246 410 V CB -0.488 31.348 31.823 0.022 0.000 0.861 410 V HN 1.895 nan 8.190 nan 0.000 0.491 411 G N 3.980 112.725 108.800 -0.091 0.000 2.212 411 G HA2 -0.081 3.880 3.960 0.001 0.000 0.267 411 G HA3 -0.081 3.880 3.960 0.001 0.000 0.267 411 G C 1.174 176.022 174.900 -0.086 0.000 1.002 411 G CA 0.745 45.790 45.100 -0.092 0.000 0.729 411 G HN 2.492 nan 8.290 nan 0.000 0.517 412 G N -1.547 107.198 108.800 -0.093 0.000 2.153 412 G HA2 0.159 4.120 3.960 0.001 0.000 0.252 412 G HA3 0.159 4.120 3.960 0.001 0.000 0.252 412 G C 1.389 176.245 174.900 -0.073 0.000 0.994 412 G CA 0.931 45.975 45.100 -0.093 0.000 0.698 412 G HN 2.151 nan 8.290 nan 0.000 0.521 413 G N -0.775 107.995 108.800 -0.051 0.000 2.484 413 G HA2 0.487 4.448 3.960 0.001 0.000 0.235 413 G HA3 0.487 4.448 3.960 0.001 0.000 0.235 413 G C 1.080 175.954 174.900 -0.042 0.000 1.282 413 G CA 1.115 46.193 45.100 -0.036 0.000 0.857 413 G HN 1.375 nan 8.290 nan 0.000 0.571 414 T N -1.879 112.650 114.554 -0.042 0.000 2.975 414 T HA 0.566 4.917 4.350 0.001 0.000 0.261 414 T C 1.050 175.725 174.700 -0.042 0.000 0.984 414 T CA 0.664 62.734 62.100 -0.050 0.000 0.911 414 T CB 0.260 69.091 68.868 -0.062 0.000 1.127 414 T HN 0.911 nan 8.240 nan 0.000 0.514 415 A N 2.170 124.971 122.820 -0.033 0.000 2.313 415 A HA 0.580 4.900 4.320 0.001 0.000 0.261 415 A C 0.244 177.809 177.584 -0.032 0.000 1.090 415 A CA -0.690 51.322 52.037 -0.042 0.000 0.807 415 A CB 0.033 19.016 19.000 -0.029 0.000 1.055 415 A HN 0.392 nan 8.150 nan 0.000 0.492 416 N N -0.212 118.439 118.700 -0.081 0.000 2.407 416 N HA 0.301 5.041 4.740 0.001 0.000 0.250 416 N C 1.179 176.744 175.510 0.091 0.000 1.236 416 N CA 1.663 54.675 53.050 -0.063 0.000 0.879 416 N CB 0.778 39.101 38.487 -0.273 0.000 1.088 416 N HN 1.292 nan 8.380 nan 0.000 0.450 417 G N 0.502 109.419 108.800 0.195 0.000 2.217 417 G HA2 -0.289 3.672 3.960 0.001 0.000 0.246 417 G HA3 -0.289 3.672 3.960 0.001 0.000 0.246 417 G C 0.175 175.141 174.900 0.110 0.000 0.990 417 G CA 0.371 45.565 45.100 0.157 0.000 0.627 417 G HN 0.628 nan 8.290 nan 0.000 0.522 418 T N 2.555 117.164 114.554 0.091 0.000 2.867 418 T HA 0.441 4.791 4.350 0.001 0.000 0.297 418 T C 0.968 175.723 174.700 0.092 0.000 0.989 418 T CA 0.221 62.364 62.100 0.072 0.000 1.159 418 T CB 0.802 69.701 68.868 0.052 0.000 0.928 418 T HN 0.368 nan 8.240 nan 0.000 0.538 419 L N 3.733 125.003 121.223 0.079 0.000 2.439 419 L HA 0.447 4.787 4.340 0.001 0.000 0.261 419 L C 0.236 177.158 176.870 0.087 0.000 1.153 419 L CA -1.034 53.856 54.840 0.083 0.000 0.808 419 L CB 0.513 42.616 42.059 0.073 0.000 1.126 419 L HN 0.393 nan 8.230 nan 0.000 0.460 420 I N 1.778 122.395 120.570 0.079 0.000 2.412 420 I HA 0.341 4.512 4.170 0.001 0.000 0.296 420 I C -0.001 176.160 176.117 0.072 0.000 0.987 420 I CA -0.276 61.069 61.300 0.074 0.000 1.180 420 I CB 1.393 39.392 38.000 -0.001 0.000 1.340 420 I HN 0.732 nan 8.210 nan 0.000 0.455 421 Q N 5.677 125.538 119.800 0.102 0.000 2.683 421 Q HA 0.738 5.078 4.340 0.001 0.000 0.302 421 Q C -1.756 174.342 176.000 0.163 0.000 1.042 421 Q CA -1.001 54.879 55.803 0.127 0.000 0.773 421 Q CB 2.503 31.329 28.738 0.147 0.000 1.508 421 Q HN 0.465 nan 8.270 nan 0.000 0.459 422 L N 1.141 122.472 121.223 0.179 0.000 2.325 422 L HA 0.631 4.972 4.340 0.001 0.000 0.279 422 L C -1.248 175.762 176.870 0.233 0.000 1.054 422 L CA -0.795 54.160 54.840 0.192 0.000 0.804 422 L CB 1.062 43.208 42.059 0.145 0.000 1.200 422 L HN 0.673 nan 8.230 nan 0.000 0.436 423 Y N 0.589 120.937 120.300 0.080 0.000 2.604 423 Y HA 0.124 4.675 4.550 0.001 0.000 0.331 423 Y C 0.053 175.984 175.900 0.052 0.000 1.158 423 Y CA -0.611 57.523 58.100 0.058 0.000 1.056 423 Y CB 2.037 40.529 38.460 0.053 0.000 1.330 423 Y HN 0.522 nan 8.280 nan 0.000 0.457 424 S N 2.702 118.335 115.700 -0.112 0.000 2.626 424 S HA 0.017 4.488 4.470 0.001 0.000 0.303 424 S C -0.199 174.499 174.600 0.162 0.000 1.256 424 S CA -0.196 58.009 58.200 0.008 0.000 1.069 424 S CB -0.564 62.602 63.200 -0.056 0.000 0.807 424 S HN 0.656 nan 8.310 nan 0.000 0.500 425 c N 4.958 123.619 118.600 0.103 0.000 2.596 425 c HA 0.280 4.850 4.570 0.001 0.000 0.414 425 c C 1.824 175.967 174.090 0.089 0.000 1.396 425 c CA 0.234 56.624 56.329 0.102 0.000 1.698 425 c CB -0.428 42.124 42.510 0.070 0.000 2.572 425 c HN 1.014 nan 8.230 nan 0.000 0.604 426 S N 0.838 116.586 115.700 0.079 0.000 2.787 426 S HA 0.101 4.571 4.470 0.001 0.000 0.255 426 S C 0.562 175.174 174.600 0.019 0.000 1.051 426 S CA 0.037 58.269 58.200 0.052 0.000 1.124 426 S CB -0.170 63.064 63.200 0.057 0.000 1.104 426 S HN 0.840 nan 8.310 nan 0.000 0.623 427 N N 1.173 119.881 118.700 0.013 0.000 2.878 427 N HA -0.109 4.631 4.740 0.001 0.000 0.247 427 N C 0.465 175.953 175.510 -0.037 0.000 1.021 427 N CA 0.923 53.967 53.050 -0.010 0.000 0.873 427 N CB -1.651 36.830 38.487 -0.009 0.000 1.128 427 N HN 0.727 nan 8.380 nan 0.000 0.571 428 G N 0.256 109.031 108.800 -0.043 0.000 2.569 428 G HA2 0.295 4.255 3.960 0.001 0.000 0.249 428 G HA3 0.295 4.255 3.960 0.001 0.000 0.249 428 G C 1.085 175.910 174.900 -0.124 0.000 1.216 428 G CA 0.420 45.476 45.100 -0.074 0.000 0.845 428 G HN 0.266 nan 8.290 nan 0.000 0.568 429 S N 0.516 116.130 115.700 -0.142 0.000 2.442 429 S HA -0.182 4.288 4.470 0.001 0.000 0.236 429 S C 1.733 176.149 174.600 -0.306 0.000 1.007 429 S CA 1.210 59.290 58.200 -0.201 0.000 0.965 429 S CB -0.258 62.844 63.200 -0.164 0.000 0.773 429 S HN 0.754 nan 8.310 nan 0.000 0.504 430 N N 1.038 119.584 118.700 -0.257 0.000 2.449 430 N HA -0.010 4.730 4.740 0.001 0.000 0.191 430 N C 0.848 176.166 175.510 -0.320 0.000 1.161 430 N CA 0.203 53.071 53.050 -0.303 0.000 0.863 430 N CB -0.264 38.118 38.487 -0.175 0.000 0.980 430 N HN 0.626 nan 8.380 nan 0.000 0.458 431 Q N -0.463 119.153 119.800 -0.306 0.000 2.140 431 Q HA 0.269 4.609 4.340 0.001 0.000 0.227 431 Q C -0.347 175.508 176.000 -0.243 0.000 0.798 431 Q CA -0.247 55.483 55.803 -0.121 0.000 0.987 431 Q CB 1.310 30.064 28.738 0.027 0.000 1.161 431 Q HN 0.241 nan 8.270 nan 0.000 0.480 432 R N 0.060 120.219 120.500 -0.568 0.000 2.532 432 R HA 0.478 4.819 4.340 0.001 0.000 0.295 432 R C -1.375 174.472 176.300 -0.756 0.000 0.968 432 R CA -0.192 55.657 56.100 -0.418 0.000 0.916 432 R CB 1.130 31.289 30.300 -0.236 0.000 1.124 432 R HN -0.070 nan 8.270 nan 0.000 0.463 433 W N 0.072 121.325 121.300 -0.078 0.000 3.033 433 W HA 0.397 5.058 4.660 0.001 0.000 0.336 433 W C -0.327 176.142 176.519 -0.082 0.000 1.173 433 W CA -0.667 56.623 57.345 -0.090 0.000 1.185 433 W CB 1.721 31.103 29.460 -0.131 0.000 1.425 433 W HN 0.498 nan 8.180 nan 0.000 0.536 434 T N -1.097 113.552 114.554 0.159 0.000 2.893 434 T HA 0.659 5.010 4.350 0.001 0.000 0.293 434 T C -0.750 173.990 174.700 0.067 0.000 1.027 434 T CA -1.251 60.892 62.100 0.072 0.000 0.988 434 T CB 1.688 70.575 68.868 0.032 0.000 1.043 434 T HN 0.463 nan 8.240 nan 0.000 0.461 435 R N 2.491 123.010 120.500 0.031 0.000 2.278 435 R HA 0.609 4.950 4.340 0.001 0.000 0.322 435 R C -0.140 176.176 176.300 0.026 0.000 1.058 435 R CA -0.521 55.594 56.100 0.024 0.000 0.991 435 R CB 0.972 31.270 30.300 -0.003 0.000 1.140 435 R HN 1.006 nan 8.270 nan 0.000 0.518 436 T N 0.000 114.575 114.554 0.035 0.000 3.816 436 T HA 0.000 4.350 4.350 0.001 0.000 0.228 436 T CA 0.000 62.118 62.100 0.030 0.000 1.349 436 T CB 0.000 68.882 68.868 0.023 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658