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 2wtb_1_A DATA FIRST_RESID 7 DATA SEQUENCE GKTVMEVGGD GVAVITLINP PVNSLSFDVL YNLKSNYEEA LSRNDVKAIV DATA SEQUENCE ITGAKGRFSG GFDIXXXXXX XXXXXXEPKA GYISIDIITD LLEAARKPSV DATA SEQUENCE AAIDGLALGG GLELAMACHA RISAPAAQLG LPELQLGVIP GFGGTQRLPR DATA SEQUENCE LVGLTKALEM ILTSKPVKAE EGHSLGLIDA VVPPAELVTT ARRWALDIVG DATA SEQUENCE RRKPWVSSVS KTDKLPPLGE AREILTFAKA QTLKRAPNMK HPLMCLDAIE DATA SEQUENCE VGIVSGPRAG LEKEAEVASQ VVKLDTTKGL IHVFFSQRGT AKVPGVTDRG DATA SEQUENCE LVPRKIKKVA IIGGGLMGSG IATALILSNY PVILKEVNEK FLEAGIGRVK DATA SEQUENCE ANLQSRVRXX XXSQEKFEKT MSLLKGSLDY ESFRDVDMVI EAVIENISLK DATA SEQUENCE QQIFADLEKY CPQHCILASN TSTIDLNKIG ERTKSQDRIV GAHFFSPAHI DATA SEQUENCE MPLLEIVRTN HTSAQVIVDL LDVGKKIKKT PVVVGNCTGF AVNRMFFPYT DATA SEQUENCE QAAMFLVECG ADPYLIDRAI SKFGMPMGPF RLCDLVGFGV AIATATQFIE DATA SEQUENCE NFSERTYKSM IIPLMQEDKX XXXXXXXXXX XXXXXXXXXX DPELKKYIEK DATA SEQUENCE ARSISGVKLD PKLANLSEKD IIEMTFFPVV NEACRVFAEG IAVKAADLDI DATA SEQUENCE AGIMGMGFPP YRGGIMFWAD SIGSKYIYSR LDEWSKAYGE FFKPCAFLAE DATA SEQUENCE RGSKGVLLSA PVK 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 7 G HA2 0.000 nan 3.960 nan 0.000 0.244 7 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 7 G C 0.000 174.882 174.900 -0.029 0.000 0.946 7 G CA 0.000 45.076 45.100 -0.040 0.000 0.502 8 K N -2.218 118.160 120.400 -0.037 0.000 2.305 8 K HA 0.859 5.182 4.320 0.005 0.000 0.268 8 K C -1.125 175.451 176.600 -0.041 0.000 1.034 8 K CA -0.478 55.794 56.287 -0.024 0.000 0.879 8 K CB 1.699 34.193 32.500 -0.010 0.000 1.506 8 K HN 1.156 nan 8.250 nan 0.000 0.425 9 T N -1.816 112.722 114.554 -0.027 0.000 2.916 9 T HA 0.544 4.897 4.350 0.005 0.000 0.305 9 T C -1.139 173.546 174.700 -0.025 0.000 1.119 9 T CA -0.757 61.320 62.100 -0.037 0.000 1.008 9 T CB 1.586 70.433 68.868 -0.036 0.000 1.129 9 T HN 0.315 nan 8.240 nan 0.000 0.480 10 V N 3.758 123.653 119.914 -0.032 0.000 2.540 10 V HA 0.624 4.747 4.120 0.005 0.000 0.302 10 V C -0.226 175.849 176.094 -0.032 0.000 1.035 10 V CA -0.856 61.428 62.300 -0.026 0.000 0.873 10 V CB 1.679 33.488 31.823 -0.023 0.000 0.992 10 V HN 1.066 nan 8.190 nan 0.000 0.428 11 M N 4.631 124.212 119.600 -0.031 0.000 2.294 11 M HA 0.626 5.109 4.480 0.005 0.000 0.335 11 M C -1.052 175.228 176.300 -0.033 0.000 1.079 11 M CA -0.184 55.091 55.300 -0.042 0.000 0.982 11 M CB 1.617 34.184 32.600 -0.055 0.000 1.651 11 M HN 0.705 nan 8.290 nan 0.000 0.437 12 E N 3.614 123.794 120.200 -0.034 0.000 2.256 12 E HA 0.426 4.778 4.350 0.005 0.000 0.268 12 E C -1.434 175.150 176.600 -0.027 0.000 0.877 12 E CA -0.896 55.489 56.400 -0.026 0.000 0.757 12 E CB 2.910 32.599 29.700 -0.019 0.000 1.183 12 E HN 0.506 nan 8.360 nan 0.000 0.418 13 V N 2.787 122.687 119.914 -0.023 0.000 2.348 13 V HA 0.334 4.457 4.120 0.005 0.000 0.270 13 V C 0.840 176.925 176.094 -0.015 0.000 1.037 13 V CA -0.464 61.822 62.300 -0.022 0.000 0.872 13 V CB 1.012 32.823 31.823 -0.021 0.000 1.002 13 V HN 0.801 nan 8.190 nan 0.000 0.464 14 G N 3.373 112.165 108.800 -0.014 0.000 2.683 14 G HA2 0.373 4.336 3.960 0.005 0.000 0.260 14 G HA3 0.373 4.336 3.960 0.005 0.000 0.260 14 G C 1.100 175.996 174.900 -0.008 0.000 1.238 14 G CA 0.068 45.163 45.100 -0.009 0.000 0.934 14 G HN 0.928 nan 8.290 nan 0.000 0.534 15 G N -0.914 107.883 108.800 -0.005 0.000 2.744 15 G HA2 -0.005 3.958 3.960 0.005 0.000 0.211 15 G HA3 -0.005 3.958 3.960 0.005 0.000 0.211 15 G C 0.965 175.862 174.900 -0.004 0.000 1.143 15 G CA 1.146 46.243 45.100 -0.004 0.000 0.788 15 G HN 0.630 nan 8.290 nan 0.000 0.534 16 D N -1.220 119.177 120.400 -0.005 0.000 2.339 16 D HA 0.202 4.845 4.640 0.005 0.000 0.217 16 D C 1.699 177.995 176.300 -0.007 0.000 1.050 16 D CA 0.453 54.450 54.000 -0.005 0.000 0.856 16 D CB -0.342 40.455 40.800 -0.005 0.000 0.922 16 D HN 0.348 nan 8.370 nan 0.000 0.518 17 G N -0.350 108.446 108.800 -0.008 0.000 2.175 17 G HA2 -0.249 3.713 3.960 0.005 0.000 0.244 17 G HA3 -0.249 3.713 3.960 0.005 0.000 0.244 17 G C 0.116 175.008 174.900 -0.014 0.000 0.982 17 G CA 0.153 45.248 45.100 -0.009 0.000 0.641 17 G HN 0.375 nan 8.290 nan 0.000 0.527 18 V N 1.384 121.290 119.914 -0.014 0.000 2.488 18 V HA 0.644 4.767 4.120 0.005 0.000 0.277 18 V C 0.886 176.964 176.094 -0.028 0.000 1.046 18 V CA -0.003 62.285 62.300 -0.019 0.000 0.986 18 V CB 1.341 33.158 31.823 -0.010 0.000 0.989 18 V HN 1.121 nan 8.190 nan 0.000 0.475 19 A N 5.504 128.296 122.820 -0.045 0.000 2.269 19 A HA 0.656 4.979 4.320 0.005 0.000 0.302 19 A C -0.379 177.166 177.584 -0.065 0.000 1.266 19 A CA -0.391 51.607 52.037 -0.064 0.000 0.894 19 A CB 0.522 19.462 19.000 -0.101 0.000 1.147 19 A HN 0.674 nan 8.150 nan 0.000 0.537 20 V N 4.908 124.794 119.914 -0.047 0.000 2.370 20 V HA 0.301 4.424 4.120 0.005 0.000 0.279 20 V C -0.034 176.033 176.094 -0.045 0.000 1.029 20 V CA -0.070 62.209 62.300 -0.034 0.000 0.870 20 V CB 0.854 32.667 31.823 -0.017 0.000 0.984 20 V HN 0.714 nan 8.190 nan 0.000 0.451 21 I N 4.189 124.731 120.570 -0.047 0.000 2.330 21 I HA 0.353 4.525 4.170 0.005 0.000 0.289 21 I C 0.180 176.266 176.117 -0.050 0.000 1.001 21 I CA -0.116 61.151 61.300 -0.054 0.000 1.193 21 I CB 1.720 39.681 38.000 -0.064 0.000 1.345 21 I HN 0.502 nan 8.210 nan 0.000 0.461 22 T N 7.281 121.801 114.554 -0.056 0.000 2.749 22 T HA 0.465 4.817 4.350 0.005 0.000 0.287 22 T C 0.070 174.711 174.700 -0.100 0.000 0.970 22 T CA -0.517 61.540 62.100 -0.071 0.000 0.980 22 T CB 0.773 69.611 68.868 -0.049 0.000 0.924 22 T HN 0.291 nan 8.240 nan 0.000 0.456 23 L N 4.659 125.787 121.223 -0.159 0.000 2.313 23 L HA 0.454 4.797 4.340 0.005 0.000 0.282 23 L C -0.046 176.743 176.870 -0.135 0.000 1.092 23 L CA -0.231 54.500 54.840 -0.181 0.000 0.831 23 L CB 0.096 41.974 42.059 -0.303 0.000 1.159 23 L HN 0.547 nan 8.230 nan 0.000 0.442 24 I N 4.014 124.523 120.570 -0.103 0.000 2.495 24 I HA 0.268 4.441 4.170 0.005 0.000 0.277 24 I C -0.410 175.664 176.117 -0.071 0.000 1.045 24 I CA -0.140 61.115 61.300 -0.075 0.000 1.135 24 I CB 1.120 39.088 38.000 -0.053 0.000 1.241 24 I HN 0.558 nan 8.210 nan 0.000 0.469 25 N N 7.012 125.666 118.700 -0.076 0.000 2.824 25 N HA 0.315 5.058 4.740 0.005 0.000 0.224 25 N C -2.945 172.531 175.510 -0.057 0.000 1.418 25 N CA -1.251 51.758 53.050 -0.069 0.000 0.743 25 N CB 1.534 39.964 38.487 -0.096 0.000 1.395 25 N HN 0.058 nan 8.380 nan 0.000 0.548 26 P HA 0.111 nan 4.420 nan 0.000 0.267 26 P C -1.716 175.572 177.300 -0.020 0.000 1.201 26 P CA -0.636 62.448 63.100 -0.026 0.000 0.775 26 P CB 0.561 32.251 31.700 -0.018 0.000 0.854 27 P HA -0.043 nan 4.420 nan 0.000 0.219 27 P C 0.651 177.945 177.300 -0.011 0.000 1.154 27 P CA 0.914 64.010 63.100 -0.007 0.000 0.826 27 P CB 0.099 31.801 31.700 0.003 0.000 0.795 28 V N -5.271 114.634 119.914 -0.014 0.000 3.085 28 V HA 0.400 4.523 4.120 0.005 0.000 0.345 28 V C -0.169 175.902 176.094 -0.037 0.000 1.397 28 V CA -0.562 61.730 62.300 -0.014 0.000 1.165 28 V CB -1.282 30.543 31.823 0.003 0.000 1.153 28 V HN 0.018 nan 8.190 nan 0.000 0.495 29 N N 0.628 119.292 118.700 -0.060 0.000 2.738 29 N HA -0.170 4.573 4.740 0.005 0.000 0.249 29 N C 0.258 175.695 175.510 -0.121 0.000 1.047 29 N CA 1.226 54.216 53.050 -0.100 0.000 0.707 29 N CB -1.450 36.961 38.487 -0.126 0.000 0.937 29 N HN 0.718 nan 8.380 nan 0.000 0.545 30 S N 0.306 115.941 115.700 -0.108 0.000 2.568 30 S HA 0.164 4.636 4.470 0.005 0.000 0.282 30 S C 1.274 175.739 174.600 -0.224 0.000 1.338 30 S CA -0.325 57.795 58.200 -0.134 0.000 1.045 30 S CB 0.782 63.908 63.200 -0.124 0.000 0.873 30 S HN 0.232 nan 8.310 nan 0.000 0.516 31 L N 3.549 124.617 121.223 -0.258 0.000 2.395 31 L HA 0.148 4.491 4.340 0.005 0.000 0.268 31 L C 0.982 177.454 176.870 -0.663 0.000 1.223 31 L CA -0.515 54.116 54.840 -0.350 0.000 1.093 31 L CB -0.742 41.166 42.059 -0.251 0.000 1.349 31 L HN 0.663 nan 8.230 nan 0.000 0.427 32 S N 0.160 115.523 115.700 -0.561 0.000 2.608 32 S HA 0.213 4.686 4.470 0.005 0.000 0.261 32 S C 1.039 175.333 174.600 -0.509 0.000 1.314 32 S CA -0.479 57.340 58.200 -0.635 0.000 0.992 32 S CB 0.661 63.672 63.200 -0.316 0.000 0.935 32 S HN 0.312 nan 8.310 nan 0.000 0.564 33 F N 1.167 120.947 119.950 -0.283 0.000 2.161 33 F HA -0.042 4.488 4.527 0.005 0.000 0.300 33 F C 2.051 177.615 175.800 -0.394 0.000 1.089 33 F CA 1.602 59.382 58.000 -0.367 0.000 1.282 33 F CB -1.077 37.846 39.000 -0.128 0.000 1.010 33 F HN 0.529 nan 8.300 nan 0.000 0.485 34 D N 0.186 120.617 120.400 0.052 0.000 2.103 34 D HA -0.181 4.461 4.640 0.005 0.000 0.190 34 D C 2.527 178.832 176.300 0.008 0.000 0.997 34 D CA 1.615 55.670 54.000 0.091 0.000 0.833 34 D CB -0.989 39.849 40.800 0.063 0.000 0.961 34 D HN 0.066 nan 8.370 nan 0.000 0.447 35 V N 0.674 120.538 119.914 -0.083 0.000 2.282 35 V HA -0.253 3.870 4.120 0.005 0.000 0.249 35 V C 2.571 178.602 176.094 -0.105 0.000 1.057 35 V CA 1.403 63.642 62.300 -0.102 0.000 1.032 35 V CB -0.587 31.137 31.823 -0.165 0.000 0.645 35 V HN 0.223 nan 8.190 nan 0.000 0.447 36 L N -1.618 119.488 121.223 -0.196 0.000 2.083 36 L HA -0.197 4.146 4.340 0.005 0.000 0.209 36 L C 2.518 179.347 176.870 -0.069 0.000 1.083 36 L CA 1.664 56.379 54.840 -0.208 0.000 0.752 36 L CB -0.587 41.280 42.059 -0.319 0.000 0.899 36 L HN 0.329 nan 8.230 nan 0.000 0.433 37 Y N -0.476 119.888 120.300 0.105 0.000 2.337 37 Y HA -0.093 4.460 4.550 0.005 0.000 0.293 37 Y C 2.439 178.385 175.900 0.078 0.000 1.123 37 Y CA 0.364 58.531 58.100 0.112 0.000 1.201 37 Y CB -0.759 37.777 38.460 0.128 0.000 1.011 37 Y HN 0.221 nan 8.280 nan 0.000 0.545 38 N N -0.051 118.759 118.700 0.184 0.000 2.188 38 N HA -0.124 4.618 4.740 0.005 0.000 0.184 38 N C 1.862 177.432 175.510 0.100 0.000 1.018 38 N CA 0.733 53.851 53.050 0.113 0.000 0.858 38 N CB -0.576 37.947 38.487 0.061 0.000 0.989 38 N HN 0.257 nan 8.380 nan 0.000 0.426 39 L N 1.721 122.998 121.223 0.090 0.000 2.027 39 L HA -0.081 4.262 4.340 0.005 0.000 0.206 39 L C 2.166 179.164 176.870 0.213 0.000 1.074 39 L CA 1.735 56.650 54.840 0.126 0.000 0.745 39 L CB -0.637 41.462 42.059 0.066 0.000 0.898 39 L HN 0.065 nan 8.230 nan 0.000 0.433 40 K N -1.018 119.485 120.400 0.172 0.000 2.044 40 K HA -0.197 4.126 4.320 0.005 0.000 0.210 40 K C 2.045 178.758 176.600 0.188 0.000 1.049 40 K CA 1.980 58.374 56.287 0.177 0.000 0.927 40 K CB -0.198 32.425 32.500 0.205 0.000 0.713 40 K HN 0.386 nan 8.250 nan 0.000 0.443 41 S N 1.155 116.951 115.700 0.161 0.000 2.356 41 S HA -0.119 4.354 4.470 0.005 0.000 0.223 41 S C 1.608 176.269 174.600 0.103 0.000 1.032 41 S CA 1.302 59.574 58.200 0.119 0.000 1.005 41 S CB -0.525 62.733 63.200 0.097 0.000 0.867 41 S HN 0.383 nan 8.310 nan 0.000 0.449 42 N N 0.773 119.530 118.700 0.095 0.000 2.037 42 N HA -0.149 4.594 4.740 0.005 0.000 0.196 42 N C 1.530 177.041 175.510 0.002 0.000 1.034 42 N CA 1.674 54.740 53.050 0.026 0.000 0.861 42 N CB -0.658 37.826 38.487 -0.005 0.000 1.039 42 N HN 0.479 nan 8.380 nan 0.000 0.427 43 Y N 1.618 121.938 120.300 0.034 0.000 2.200 43 Y HA -0.079 4.474 4.550 0.005 0.000 0.290 43 Y C 2.357 178.284 175.900 0.045 0.000 1.137 43 Y CA 1.148 59.272 58.100 0.041 0.000 1.163 43 Y CB -0.131 38.353 38.460 0.040 0.000 0.988 43 Y HN 0.192 nan 8.280 nan 0.000 0.518 44 E N -0.190 120.126 120.200 0.194 0.000 2.153 44 E HA -0.262 4.091 4.350 0.005 0.000 0.194 44 E C 1.996 178.647 176.600 0.085 0.000 0.988 44 E CA 1.331 57.808 56.400 0.128 0.000 0.811 44 E CB -0.081 29.684 29.700 0.108 0.000 0.746 44 E HN 0.591 nan 8.360 nan 0.000 0.466 45 E N 0.749 120.986 120.200 0.061 0.000 2.051 45 E HA -0.112 4.241 4.350 0.005 0.000 0.189 45 E C 2.099 178.709 176.600 0.017 0.000 0.979 45 E CA 0.807 57.226 56.400 0.032 0.000 0.803 45 E CB -0.064 29.646 29.700 0.016 0.000 0.761 45 E HN 0.177 nan 8.360 nan 0.000 0.451 46 A N 1.173 123.986 122.820 -0.011 0.000 1.978 46 A HA -0.115 4.208 4.320 0.005 0.000 0.220 46 A C 2.090 179.684 177.584 0.016 0.000 1.170 46 A CA 1.082 53.097 52.037 -0.036 0.000 0.636 46 A CB -0.552 18.363 19.000 -0.142 0.000 0.810 46 A HN 0.345 nan 8.150 nan 0.000 0.448 47 L N -0.605 120.655 121.223 0.060 0.000 2.599 47 L HA 0.068 4.411 4.340 0.005 0.000 0.230 47 L C 1.705 178.616 176.870 0.069 0.000 1.141 47 L CA 0.489 55.383 54.840 0.090 0.000 0.877 47 L CB 0.132 42.274 42.059 0.139 0.000 1.009 47 L HN 0.257 nan 8.230 nan 0.000 0.447 48 S N -1.515 114.216 115.700 0.051 0.000 2.524 48 S HA 0.196 4.668 4.470 0.005 0.000 0.222 48 S C 0.772 175.390 174.600 0.031 0.000 1.040 48 S CA -0.316 57.909 58.200 0.042 0.000 0.915 48 S CB 0.397 63.621 63.200 0.040 0.000 0.831 48 S HN 0.265 nan 8.310 nan 0.000 0.492 49 R N 2.671 123.186 120.500 0.024 0.000 2.347 49 R HA 0.291 4.634 4.340 0.005 0.000 0.304 49 R C 0.285 176.596 176.300 0.018 0.000 1.072 49 R CA -0.266 55.843 56.100 0.016 0.000 0.980 49 R CB 0.261 30.565 30.300 0.006 0.000 0.986 49 R HN 0.149 nan 8.270 nan 0.000 0.448 50 N N 2.200 120.911 118.700 0.017 0.000 2.309 50 N HA -0.151 4.592 4.740 0.005 0.000 0.182 50 N C 0.699 176.217 175.510 0.014 0.000 1.018 50 N CA 1.235 54.295 53.050 0.018 0.000 0.876 50 N CB 0.029 38.525 38.487 0.016 0.000 0.972 50 N HN 0.618 nan 8.380 nan 0.000 0.434 51 D N -0.153 120.252 120.400 0.009 0.000 2.363 51 D HA -0.021 4.622 4.640 0.005 0.000 0.220 51 D C 0.343 176.643 176.300 0.001 0.000 0.994 51 D CA 0.091 54.093 54.000 0.004 0.000 0.890 51 D CB -0.194 40.606 40.800 0.001 0.000 0.906 51 D HN -0.100 nan 8.370 nan 0.000 0.530 52 V N 0.628 120.544 119.914 0.003 0.000 2.439 52 V HA 0.215 4.338 4.120 0.005 0.000 0.282 52 V C 1.079 177.178 176.094 0.008 0.000 1.039 52 V CA -0.502 61.797 62.300 -0.003 0.000 0.913 52 V CB 1.842 33.658 31.823 -0.011 0.000 0.983 52 V HN -0.050 nan 8.190 nan 0.000 0.460 53 K N 2.807 123.207 120.400 0.001 0.000 2.329 53 K HA 0.594 4.916 4.320 0.005 0.000 0.198 53 K C 0.428 177.027 176.600 -0.001 0.000 1.085 53 K CA 0.720 57.011 56.287 0.007 0.000 0.961 53 K CB 1.007 33.506 32.500 -0.003 0.000 0.971 53 K HN 0.754 nan 8.250 nan 0.000 0.502 54 A N 0.644 123.454 122.820 -0.016 0.000 2.529 54 A HA 0.705 5.027 4.320 0.005 0.000 0.296 54 A C -1.750 175.817 177.584 -0.028 0.000 1.205 54 A CA -0.661 51.362 52.037 -0.024 0.000 0.671 54 A CB 1.004 19.970 19.000 -0.057 0.000 1.301 54 A HN 0.029 nan 8.150 nan 0.000 0.450 55 I N -0.506 120.056 120.570 -0.014 0.000 2.647 55 I HA 0.609 4.782 4.170 0.005 0.000 0.295 55 I C -0.775 175.345 176.117 0.005 0.000 1.078 55 I CA -0.569 60.701 61.300 -0.051 0.000 1.048 55 I CB 2.219 40.127 38.000 -0.153 0.000 1.239 55 I HN 0.356 nan 8.210 nan 0.000 0.421 56 V N 5.907 125.816 119.914 -0.007 0.000 2.735 56 V HA 0.560 4.683 4.120 0.005 0.000 0.310 56 V C -0.409 175.712 176.094 0.044 0.000 1.061 56 V CA -0.588 61.731 62.300 0.031 0.000 0.913 56 V CB 2.165 34.003 31.823 0.025 0.000 1.005 56 V HN 0.447 nan 8.190 nan 0.000 0.428 57 I N 3.120 123.756 120.570 0.110 0.000 2.465 57 I HA 0.689 4.862 4.170 0.005 0.000 0.291 57 I C -0.161 176.107 176.117 0.252 0.000 1.014 57 I CA -0.186 61.200 61.300 0.144 0.000 1.093 57 I CB 2.205 40.329 38.000 0.207 0.000 1.267 57 I HN 0.680 nan 8.210 nan 0.000 0.431 58 T N 3.138 117.753 114.554 0.101 0.000 2.792 58 T HA 0.682 5.035 4.350 0.005 0.000 0.303 58 T C -0.599 174.037 174.700 -0.106 0.000 1.310 58 T CA -0.461 61.719 62.100 0.132 0.000 1.007 58 T CB 1.920 70.856 68.868 0.113 0.000 1.335 58 T HN 0.777 nan 8.240 nan 0.000 0.504 59 G N 0.475 109.230 108.800 -0.076 0.000 2.491 59 G HA2 0.708 4.671 3.960 0.005 0.000 0.327 59 G HA3 0.708 4.671 3.960 0.005 0.000 0.327 59 G C -0.369 174.497 174.900 -0.057 0.000 1.189 59 G CA -0.288 44.724 45.100 -0.146 0.000 0.956 59 G HN 0.987 nan 8.290 nan 0.000 0.491 60 A N -0.108 122.673 122.820 -0.065 0.000 2.302 60 A HA 0.638 4.960 4.320 0.005 0.000 0.285 60 A C 0.612 178.182 177.584 -0.023 0.000 1.105 60 A CA -0.342 51.672 52.037 -0.038 0.000 0.816 60 A CB 0.099 19.073 19.000 -0.043 0.000 1.067 60 A HN 0.921 nan 8.150 nan 0.000 0.489 61 K N 0.356 120.748 120.400 -0.013 0.000 3.150 61 K HA -0.161 4.162 4.320 0.005 0.000 0.267 61 K C 0.737 177.337 176.600 0.000 0.000 1.028 61 K CA 0.737 57.020 56.287 -0.007 0.000 0.753 61 K CB -2.093 30.401 32.500 -0.010 0.000 1.288 61 K HN 2.331 nan 8.250 nan 0.000 0.473 62 G N 0.410 109.214 108.800 0.007 0.000 2.305 62 G HA2 -0.353 3.610 3.960 0.005 0.000 0.287 62 G HA3 -0.353 3.610 3.960 0.005 0.000 0.287 62 G C -0.316 174.600 174.900 0.027 0.000 1.036 62 G CA 0.809 45.919 45.100 0.016 0.000 0.887 62 G HN 0.456 nan 8.290 nan 0.000 0.505 63 R N -1.824 118.697 120.500 0.035 0.000 2.508 63 R HA 0.407 4.750 4.340 0.005 0.000 0.283 63 R C 0.488 176.832 176.300 0.074 0.000 1.120 63 R CA -0.920 55.212 56.100 0.054 0.000 0.958 63 R CB 0.822 31.137 30.300 0.024 0.000 1.215 63 R HN 0.068 nan 8.270 nan 0.000 0.427 64 F N 1.487 121.420 119.950 -0.027 0.000 2.022 64 F HA 0.091 4.621 4.527 0.004 0.000 0.293 64 F C 0.578 176.358 175.800 -0.034 0.000 1.142 64 F CA 1.418 59.399 58.000 -0.032 0.000 1.177 64 F CB 0.424 39.403 39.000 -0.035 0.000 0.982 64 F HN 0.378 nan 8.300 nan 0.000 0.473 65 S N -1.512 114.246 115.700 0.096 0.000 2.586 65 S HA 0.404 4.876 4.470 0.005 0.000 0.296 65 S C 0.129 174.767 174.600 0.064 0.000 1.120 65 S CA -0.222 57.967 58.200 -0.019 0.000 0.927 65 S CB 0.572 63.691 63.200 -0.134 0.000 1.114 65 S HN 0.520 nan 8.310 nan 0.000 0.453 66 G N 1.962 110.776 108.800 0.024 0.000 2.880 66 G HA2 0.524 4.486 3.960 0.005 0.000 0.209 66 G HA3 0.524 4.486 3.960 0.005 0.000 0.209 66 G C 0.903 175.829 174.900 0.044 0.000 1.157 66 G CA 0.568 45.691 45.100 0.037 0.000 0.779 66 G HN 1.557 nan 8.290 nan 0.000 0.539 67 G N -0.889 107.940 108.800 0.049 0.000 2.295 67 G HA2 0.199 4.162 3.960 0.005 0.000 0.155 67 G HA3 0.199 4.162 3.960 0.005 0.000 0.155 67 G C -1.299 173.680 174.900 0.132 0.000 1.307 67 G CA -0.700 44.457 45.100 0.095 0.000 1.140 67 G HN 0.243 nan 8.290 nan 0.000 0.470 68 F N 1.721 121.660 119.950 -0.018 0.000 2.432 68 F HA 0.657 5.187 4.527 0.004 0.000 0.329 68 F C 0.392 176.163 175.800 -0.048 0.000 1.076 68 F CA -0.440 57.541 58.000 -0.032 0.000 1.018 68 F CB 1.791 40.773 39.000 -0.030 0.000 1.201 68 F HN 0.502 nan 8.300 nan 0.000 0.489 69 D N 3.391 123.471 120.400 -0.534 0.000 2.400 69 D HA 0.215 4.858 4.640 0.005 0.000 0.238 69 D C -0.166 176.128 176.300 -0.010 0.000 1.157 69 D CA 0.306 54.140 54.000 -0.276 0.000 0.889 69 D CB 0.517 41.077 40.800 -0.401 0.000 1.199 69 D HN 0.484 nan 8.370 nan 0.000 0.436 84 P HA -0.106 nan 4.420 nan 0.000 0.205 84 P C 0.609 177.881 177.300 -0.045 0.000 1.164 84 P CA 0.913 63.910 63.100 -0.171 0.000 0.938 84 P CB 0.199 31.669 31.700 -0.383 0.000 0.777 85 K N -1.063 119.347 120.400 0.016 0.000 2.525 85 K HA 0.304 4.626 4.320 0.005 0.000 0.262 85 K C 1.406 178.066 176.600 0.101 0.000 1.049 85 K CA 0.489 56.820 56.287 0.072 0.000 0.961 85 K CB -0.608 31.961 32.500 0.115 0.000 1.258 85 K HN 0.003 nan 8.250 nan 0.000 0.501 86 A N -0.228 122.645 122.820 0.087 0.000 1.975 86 A HA 0.091 4.414 4.320 0.005 0.000 0.215 86 A C 1.334 178.973 177.584 0.092 0.000 1.170 86 A CA 1.596 53.675 52.037 0.072 0.000 0.656 86 A CB -0.151 18.872 19.000 0.038 0.000 0.821 86 A HN 0.616 nan 8.150 nan 0.000 0.449 87 G N -2.309 106.562 108.800 0.119 0.000 4.432 87 G HA2 0.293 4.255 3.960 0.005 0.000 0.294 87 G HA3 0.293 4.255 3.960 0.005 0.000 0.294 87 G C 0.582 175.591 174.900 0.181 0.000 1.141 87 G CA 0.262 45.437 45.100 0.124 0.000 0.895 87 G HN 0.296 nan 8.290 nan 0.000 0.548 88 Y N 1.169 121.538 120.300 0.115 0.000 2.128 88 Y HA -0.169 4.384 4.550 0.005 0.000 0.284 88 Y C 2.180 178.177 175.900 0.162 0.000 1.154 88 Y CA 1.664 59.841 58.100 0.129 0.000 1.149 88 Y CB -0.014 38.531 38.460 0.142 0.000 0.976 88 Y HN 0.281 nan 8.280 nan 0.000 0.505 89 I N -1.264 119.388 120.570 0.136 0.000 2.162 89 I HA -0.277 3.896 4.170 0.005 0.000 0.238 89 I C 2.769 178.936 176.117 0.084 0.000 1.076 89 I CA 1.455 62.797 61.300 0.071 0.000 1.353 89 I CB -0.926 37.286 38.000 0.354 0.000 1.063 89 I HN 0.188 nan 8.210 nan 0.000 0.408 90 S N 1.031 116.871 115.700 0.234 0.000 2.372 90 S HA -0.206 4.267 4.470 0.005 0.000 0.227 90 S C 1.918 176.559 174.600 0.067 0.000 1.044 90 S CA 1.849 60.167 58.200 0.197 0.000 1.050 90 S CB -0.291 62.996 63.200 0.146 0.000 0.901 90 S HN 0.324 nan 8.310 nan 0.000 0.447 91 I N 0.018 120.610 120.570 0.037 0.000 2.681 91 I HA 0.052 4.225 4.170 0.005 0.000 0.247 91 I C 2.075 178.171 176.117 -0.035 0.000 1.091 91 I CA 0.753 62.060 61.300 0.011 0.000 1.442 91 I CB -0.414 37.607 38.000 0.035 0.000 1.219 91 I HN 0.158 nan 8.210 nan 0.000 0.451 92 D N 1.010 121.362 120.400 -0.081 0.000 2.117 92 D HA -0.096 4.546 4.640 0.005 0.000 0.198 92 D C 2.130 178.313 176.300 -0.194 0.000 0.982 92 D CA 1.326 55.245 54.000 -0.135 0.000 0.828 92 D CB 0.127 40.814 40.800 -0.189 0.000 0.967 92 D HN 0.136 nan 8.370 nan 0.000 0.464 93 I N 0.192 120.599 120.570 -0.273 0.000 2.364 93 I HA -0.018 4.155 4.170 0.005 0.000 0.241 93 I C 2.476 178.475 176.117 -0.196 0.000 1.082 93 I CA 0.568 61.727 61.300 -0.234 0.000 1.401 93 I CB -0.933 36.920 38.000 -0.245 0.000 1.126 93 I HN -0.005 nan 8.210 nan 0.000 0.429 94 I N 0.503 120.978 120.570 -0.158 0.000 2.233 94 I HA -0.229 3.944 4.170 0.005 0.000 0.243 94 I C 2.402 178.451 176.117 -0.114 0.000 1.093 94 I CA 1.397 62.608 61.300 -0.150 0.000 1.380 94 I CB -0.350 37.594 38.000 -0.094 0.000 1.067 94 I HN 0.221 nan 8.210 nan 0.000 0.413 95 T N -0.321 114.194 114.554 -0.065 0.000 2.814 95 T HA -0.077 4.275 4.350 0.005 0.000 0.254 95 T C 1.439 176.125 174.700 -0.024 0.000 1.037 95 T CA 1.081 63.162 62.100 -0.032 0.000 1.143 95 T CB -0.086 68.778 68.868 -0.005 0.000 0.866 95 T HN 0.214 nan 8.240 nan 0.000 0.431 96 D N 0.863 121.244 120.400 -0.032 0.000 2.146 96 D HA 0.067 4.709 4.640 0.005 0.000 0.209 96 D C 2.049 178.339 176.300 -0.016 0.000 0.973 96 D CA 0.448 54.440 54.000 -0.013 0.000 0.860 96 D CB -0.561 40.235 40.800 -0.008 0.000 1.015 96 D HN 0.090 nan 8.370 nan 0.000 0.465 97 L N 0.651 121.841 121.223 -0.055 0.000 1.994 97 L HA -0.037 4.305 4.340 0.005 0.000 0.208 97 L C 2.083 178.893 176.870 -0.100 0.000 1.071 97 L CA 1.499 56.304 54.840 -0.058 0.000 0.745 97 L CB -0.590 41.415 42.059 -0.090 0.000 0.892 97 L HN 0.041 nan 8.230 nan 0.000 0.431 98 L N -1.274 119.810 121.223 -0.231 0.000 2.116 98 L HA -0.072 4.271 4.340 0.005 0.000 0.200 98 L C 2.521 179.355 176.870 -0.059 0.000 1.084 98 L CA 1.355 55.976 54.840 -0.364 0.000 0.766 98 L CB -0.395 41.315 42.059 -0.582 0.000 0.930 98 L HN 0.373 nan 8.230 nan 0.000 0.453 99 E N -0.116 120.049 120.200 -0.058 0.000 2.150 99 E HA -0.178 4.175 4.350 0.005 0.000 0.193 99 E C 1.454 178.222 176.600 0.279 0.000 0.985 99 E CA 0.968 57.385 56.400 0.029 0.000 0.814 99 E CB 0.018 29.703 29.700 -0.026 0.000 0.752 99 E HN 0.565 nan 8.360 nan 0.000 0.466 100 A N 0.413 123.324 122.820 0.152 0.000 2.462 100 A HA 0.492 4.815 4.320 0.005 0.000 0.261 100 A C 0.556 178.219 177.584 0.132 0.000 1.323 100 A CA 0.298 52.412 52.037 0.128 0.000 0.913 100 A CB -0.083 18.951 19.000 0.056 0.000 1.028 100 A HN 0.273 nan 8.150 nan 0.000 0.511 101 A N -0.191 122.763 122.820 0.223 0.000 2.332 101 A HA 0.507 4.830 4.320 0.005 0.000 0.258 101 A C 0.892 178.630 177.584 0.256 0.000 1.087 101 A CA -0.484 51.691 52.037 0.230 0.000 0.802 101 A CB 0.153 19.331 19.000 0.297 0.000 1.042 101 A HN 0.443 nan 8.150 nan 0.000 0.489 102 R N -0.172 120.452 120.500 0.205 0.000 2.423 102 R HA 0.106 4.448 4.340 0.005 0.000 0.248 102 R C -0.600 175.947 176.300 0.412 0.000 1.019 102 R CA 0.446 56.668 56.100 0.204 0.000 1.119 102 R CB -0.095 30.261 30.300 0.095 0.000 1.176 102 R HN 0.525 nan 8.270 nan 0.000 0.526 103 K N 0.597 121.265 120.400 0.446 0.000 2.507 103 K HA 0.330 4.653 4.320 0.005 0.000 0.251 103 K C -2.795 173.945 176.600 0.233 0.000 0.943 103 K CA -2.099 54.375 56.287 0.311 0.000 0.794 103 K CB 2.570 35.181 32.500 0.185 0.000 1.188 103 K HN -0.193 nan 8.250 nan 0.000 0.428 104 P HA 0.140 nan 4.420 nan 0.000 0.275 104 P C -0.954 176.405 177.300 0.097 0.000 1.227 104 P CA -0.364 62.521 63.100 -0.360 0.000 0.781 104 P CB 0.970 32.112 31.700 -0.929 0.000 0.906 105 S N 0.830 116.777 115.700 0.411 0.000 2.503 105 S HA 0.595 5.068 4.470 0.005 0.000 0.301 105 S C -0.581 174.106 174.600 0.146 0.000 1.087 105 S CA -0.605 57.742 58.200 0.246 0.000 1.042 105 S CB 1.147 64.511 63.200 0.274 0.000 1.043 105 S HN 0.146 nan 8.310 nan 0.000 0.489 106 V N 1.986 121.948 119.914 0.080 0.000 2.577 106 V HA 0.711 4.834 4.120 0.005 0.000 0.303 106 V C -0.081 176.014 176.094 0.002 0.000 1.042 106 V CA -0.881 61.425 62.300 0.009 0.000 0.872 106 V CB 1.617 33.441 31.823 0.003 0.000 0.998 106 V HN 0.998 nan 8.190 nan 0.000 0.423 107 A N 3.572 126.353 122.820 -0.064 0.000 2.328 107 A HA 0.827 5.150 4.320 0.005 0.000 0.284 107 A C 0.331 177.830 177.584 -0.142 0.000 1.160 107 A CA -0.077 51.922 52.037 -0.063 0.000 0.818 107 A CB 0.804 19.662 19.000 -0.236 0.000 1.087 107 A HN 1.407 nan 8.150 nan 0.000 0.504 108 A N 3.730 126.548 122.820 -0.003 0.000 2.322 108 A HA 0.613 4.936 4.320 0.005 0.000 0.327 108 A C -0.298 177.283 177.584 -0.006 0.000 1.394 108 A CA -0.312 51.710 52.037 -0.026 0.000 0.921 108 A CB -0.233 18.792 19.000 0.042 0.000 1.153 108 A HN 0.730 nan 8.150 nan 0.000 0.523 109 I N 2.142 122.600 120.570 -0.186 0.000 2.353 109 I HA 0.347 4.520 4.170 0.005 0.000 0.293 109 I C -0.496 175.594 176.117 -0.046 0.000 0.992 109 I CA -0.299 60.882 61.300 -0.198 0.000 1.268 109 I CB 1.645 39.405 38.000 -0.401 0.000 1.387 109 I HN 0.560 nan 8.210 nan 0.000 0.478 110 D N 3.312 123.742 120.400 0.051 0.000 2.601 110 D HA 0.565 5.208 4.640 0.005 0.000 0.230 110 D C 0.563 176.892 176.300 0.048 0.000 1.106 110 D CA 0.669 54.688 54.000 0.032 0.000 0.873 110 D CB 2.126 42.950 40.800 0.039 0.000 1.515 110 D HN 0.681 nan 8.370 nan 0.000 0.468 111 G N 1.105 109.919 108.800 0.023 0.000 5.359 111 G HA2 -0.195 3.768 3.960 0.005 0.000 0.333 111 G HA3 -0.195 3.768 3.960 0.005 0.000 0.333 111 G C -0.197 174.720 174.900 0.028 0.000 1.365 111 G CA 1.277 46.392 45.100 0.025 0.000 1.008 111 G HN 1.145 nan 8.290 nan 0.000 0.816 112 L N -2.906 118.349 121.223 0.054 0.000 2.479 112 L HA 0.991 5.333 4.340 0.005 0.000 0.255 112 L C -0.238 176.692 176.870 0.100 0.000 1.026 112 L CA -0.876 53.996 54.840 0.054 0.000 0.842 112 L CB 1.541 43.628 42.059 0.047 0.000 1.444 112 L HN 1.972 nan 8.230 nan 0.000 0.409 113 A N 2.278 125.140 122.820 0.071 0.000 2.872 113 A HA 0.771 5.093 4.320 0.005 0.000 0.305 113 A C -1.299 176.328 177.584 0.071 0.000 1.171 113 A CA -0.214 51.889 52.037 0.110 0.000 0.782 113 A CB 0.144 19.138 19.000 -0.010 0.000 1.329 113 A HN 0.682 nan 8.150 nan 0.000 0.432 114 L N 1.777 123.051 121.223 0.084 0.000 2.346 114 L HA 0.762 5.105 4.340 0.005 0.000 0.274 114 L C 1.315 178.231 176.870 0.077 0.000 1.007 114 L CA -0.034 54.842 54.840 0.060 0.000 0.818 114 L CB 1.707 43.792 42.059 0.043 0.000 1.284 114 L HN 1.075 nan 8.230 nan 0.000 0.424 115 G N 2.036 110.875 108.800 0.065 0.000 2.611 115 G HA2 -0.351 3.612 3.960 0.005 0.000 0.301 115 G HA3 -0.351 3.612 3.960 0.005 0.000 0.301 115 G C 0.937 175.930 174.900 0.155 0.000 1.233 115 G CA 0.442 45.592 45.100 0.084 0.000 0.993 115 G HN 0.999 nan 8.290 nan 0.000 0.553 116 G N 0.319 109.273 108.800 0.256 0.000 2.507 116 G HA2 0.092 4.054 3.960 0.005 0.000 0.221 116 G HA3 0.092 4.054 3.960 0.005 0.000 0.221 116 G C 1.888 176.885 174.900 0.163 0.000 1.119 116 G CA 2.190 47.525 45.100 0.391 0.000 0.751 116 G HN 1.817 nan 8.290 nan 0.000 0.574 117 G N 0.566 109.452 108.800 0.144 0.000 2.402 117 G HA2 -0.098 3.865 3.960 0.005 0.000 0.216 117 G HA3 -0.098 3.865 3.960 0.005 0.000 0.216 117 G C 1.696 176.734 174.900 0.230 0.000 1.162 117 G CA 0.993 46.201 45.100 0.180 0.000 0.777 117 G HN 0.426 nan 8.290 nan 0.000 0.539 118 L N 0.538 121.841 121.223 0.133 0.000 2.109 118 L HA 0.152 4.495 4.340 0.005 0.000 0.207 118 L C 2.573 179.476 176.870 0.055 0.000 1.086 118 L CA 1.709 56.585 54.840 0.061 0.000 0.760 118 L CB -0.503 41.577 42.059 0.035 0.000 0.910 118 L HN 0.338 nan 8.230 nan 0.000 0.437 119 E N -0.669 119.588 120.200 0.095 0.000 2.051 119 E HA -0.251 4.101 4.350 0.005 0.000 0.192 119 E C 2.099 178.731 176.600 0.053 0.000 0.991 119 E CA 1.372 57.828 56.400 0.094 0.000 0.799 119 E CB -0.384 29.433 29.700 0.194 0.000 0.748 119 E HN 0.378 nan 8.360 nan 0.000 0.449 120 L N 1.149 122.400 121.223 0.045 0.000 2.079 120 L HA -0.174 4.169 4.340 0.005 0.000 0.210 120 L C 2.164 179.073 176.870 0.065 0.000 1.081 120 L CA 2.082 56.932 54.840 0.017 0.000 0.752 120 L CB -0.617 41.449 42.059 0.012 0.000 0.896 120 L HN 0.048 nan 8.230 nan 0.000 0.433 121 A N -0.964 121.909 122.820 0.089 0.000 1.930 121 A HA -0.186 4.137 4.320 0.005 0.000 0.217 121 A C 2.264 179.798 177.584 -0.083 0.000 1.175 121 A CA 1.839 53.842 52.037 -0.057 0.000 0.627 121 A CB -0.532 18.284 19.000 -0.307 0.000 0.815 121 A HN 0.525 nan 8.150 nan 0.000 0.443 122 M N -0.476 119.092 119.600 -0.053 0.000 2.279 122 M HA -0.108 4.374 4.480 0.005 0.000 0.264 122 M C 2.328 178.596 176.300 -0.053 0.000 1.062 122 M CA 1.111 56.383 55.300 -0.047 0.000 1.099 122 M CB -0.255 32.334 32.600 -0.019 0.000 1.394 122 M HN 0.490 nan 8.290 nan 0.000 0.426 123 A N -0.417 122.367 122.820 -0.060 0.000 1.968 123 A HA -0.058 4.264 4.320 0.005 0.000 0.217 123 A C 1.236 178.699 177.584 -0.201 0.000 1.169 123 A CA 0.538 52.515 52.037 -0.099 0.000 0.638 123 A CB -0.761 18.182 19.000 -0.095 0.000 0.812 123 A HN 0.500 nan 8.150 nan 0.000 0.446 124 C N -1.089 118.110 119.300 -0.169 0.000 2.705 124 C HA 0.239 4.702 4.460 0.005 0.000 0.382 124 C C 1.637 176.476 174.990 -0.251 0.000 1.322 124 C CA 0.187 59.069 59.018 -0.227 0.000 2.290 124 C CB -0.654 27.038 27.740 -0.081 0.000 2.650 124 C HN 0.717 nan 8.230 nan 0.000 0.695 125 H N -0.166 118.932 119.070 0.046 0.000 2.551 125 H HA 0.423 4.982 4.556 0.005 0.000 0.266 125 H C 0.608 175.960 175.328 0.040 0.000 0.964 125 H CA 0.857 56.947 56.048 0.070 0.000 1.180 125 H CB 0.119 29.910 29.762 0.049 0.000 1.408 125 H HN 0.727 nan 8.280 nan 0.000 0.563 126 A N 0.415 123.251 122.820 0.027 0.000 2.610 126 A HA 0.733 5.055 4.320 0.005 0.000 0.291 126 A C -1.272 176.143 177.584 -0.281 0.000 1.086 126 A CA -0.952 51.001 52.037 -0.139 0.000 0.677 126 A CB 1.464 20.316 19.000 -0.246 0.000 1.278 126 A HN 0.225 nan 8.150 nan 0.000 0.414 127 R N 0.607 120.871 120.500 -0.394 0.000 2.514 127 R HA 0.576 4.919 4.340 0.005 0.000 0.296 127 R C -1.246 174.798 176.300 -0.426 0.000 1.012 127 R CA -0.492 55.393 56.100 -0.359 0.000 0.897 127 R CB 1.667 31.809 30.300 -0.263 0.000 1.184 127 R HN 0.546 nan 8.270 nan 0.000 0.440 128 I N 1.318 121.660 120.570 -0.379 0.000 2.412 128 I HA 0.458 4.631 4.170 0.005 0.000 0.296 128 I C 0.149 176.128 176.117 -0.230 0.000 0.987 128 I CA -0.376 60.737 61.300 -0.312 0.000 1.180 128 I CB 1.578 39.427 38.000 -0.252 0.000 1.340 128 I HN 0.497 nan 8.210 nan 0.000 0.455 129 S N 3.599 119.184 115.700 -0.190 0.000 2.569 129 S HA 0.860 5.333 4.470 0.005 0.000 0.280 129 S C -0.566 173.967 174.600 -0.111 0.000 1.111 129 S CA -0.462 57.647 58.200 -0.151 0.000 0.887 129 S CB 1.879 64.990 63.200 -0.148 0.000 1.095 129 S HN 0.771 nan 8.310 nan 0.000 0.476 130 A N 4.051 126.823 122.820 -0.080 0.000 2.322 130 A HA 0.639 4.962 4.320 0.005 0.000 0.269 130 A C -1.732 175.819 177.584 -0.056 0.000 1.094 130 A CA -1.348 50.654 52.037 -0.058 0.000 0.807 130 A CB -0.554 18.425 19.000 -0.035 0.000 1.047 130 A HN 0.653 nan 8.150 nan 0.000 0.487 131 P HA -0.274 nan 4.420 nan 0.000 0.212 131 P C 0.979 178.259 177.300 -0.034 0.000 1.128 131 P CA 3.041 66.115 63.100 -0.044 0.000 0.961 131 P CB 0.151 31.831 31.700 -0.033 0.000 0.782 132 A N -2.009 120.797 122.820 -0.024 0.000 2.532 132 A HA 0.551 4.874 4.320 0.005 0.000 0.273 132 A C 0.739 178.314 177.584 -0.014 0.000 1.342 132 A CA -0.017 52.011 52.037 -0.016 0.000 0.929 132 A CB -1.046 17.947 19.000 -0.012 0.000 1.051 132 A HN 0.265 nan 8.150 nan 0.000 0.521 133 A N -0.059 122.748 122.820 -0.022 0.000 2.466 133 A HA 0.418 4.741 4.320 0.005 0.000 0.238 133 A C 0.312 177.887 177.584 -0.015 0.000 1.074 133 A CA 0.142 52.168 52.037 -0.019 0.000 0.774 133 A CB 0.117 19.096 19.000 -0.034 0.000 1.015 133 A HN 0.610 nan 8.150 nan 0.000 0.498 134 Q N 0.166 119.963 119.800 -0.005 0.000 2.271 134 Q HA 0.607 4.950 4.340 0.005 0.000 0.258 134 Q C -1.387 174.610 176.000 -0.004 0.000 0.936 134 Q CA -0.194 55.608 55.803 -0.001 0.000 0.909 134 Q CB 1.597 30.340 28.738 0.009 0.000 1.253 134 Q HN 0.644 nan 8.270 nan 0.000 0.440 135 L N 1.196 122.414 121.223 -0.009 0.000 2.409 135 L HA 0.914 5.256 4.340 0.005 0.000 0.272 135 L C 0.041 176.909 176.870 -0.003 0.000 0.980 135 L CA -0.784 54.048 54.840 -0.013 0.000 0.826 135 L CB 2.067 44.105 42.059 -0.033 0.000 1.268 135 L HN 0.758 nan 8.230 nan 0.000 0.407 136 G N 2.330 111.133 108.800 0.005 0.000 2.441 136 G HA2 0.546 4.509 3.960 0.005 0.000 0.294 136 G HA3 0.546 4.509 3.960 0.005 0.000 0.294 136 G C -1.939 172.969 174.900 0.014 0.000 1.393 136 G CA -0.730 44.375 45.100 0.008 0.000 0.796 136 G HN 0.349 nan 8.290 nan 0.000 0.494 137 L N 1.216 122.446 121.223 0.010 0.000 2.417 137 L HA 0.338 4.680 4.340 0.005 0.000 0.259 137 L C -1.974 174.896 176.870 -0.001 0.000 1.023 137 L CA -1.711 53.133 54.840 0.008 0.000 0.901 137 L CB 2.694 44.757 42.059 0.007 0.000 1.227 137 L HN 0.321 nan 8.230 nan 0.000 0.454 138 P HA 0.034 nan 4.420 nan 0.000 0.249 138 P C 0.964 178.242 177.300 -0.038 0.000 1.229 138 P CA 0.221 63.311 63.100 -0.016 0.000 0.788 138 P CB 0.517 32.206 31.700 -0.019 0.000 1.072 139 E N 0.042 120.215 120.200 -0.046 0.000 2.136 139 E HA -0.211 4.141 4.350 0.005 0.000 0.202 139 E C 1.598 178.160 176.600 -0.063 0.000 1.019 139 E CA 1.249 57.603 56.400 -0.076 0.000 0.819 139 E CB -1.123 28.529 29.700 -0.080 0.000 0.739 139 E HN 0.148 nan 8.360 nan 0.000 0.458 140 L N 0.689 121.909 121.223 -0.005 0.000 2.191 140 L HA -0.201 4.142 4.340 0.005 0.000 0.212 140 L C 2.126 179.036 176.870 0.068 0.000 1.103 140 L CA 1.587 56.472 54.840 0.074 0.000 0.769 140 L CB -0.389 41.728 42.059 0.097 0.000 0.908 140 L HN 0.175 nan 8.230 nan 0.000 0.438 141 Q N -0.987 118.818 119.800 0.008 0.000 2.291 141 Q HA -0.088 4.255 4.340 0.005 0.000 0.205 141 Q C 1.739 177.711 176.000 -0.046 0.000 0.970 141 Q CA 0.873 56.680 55.803 0.005 0.000 0.876 141 Q CB -0.006 28.730 28.738 -0.003 0.000 0.935 141 Q HN 0.513 nan 8.270 nan 0.000 0.455 142 L N -1.246 119.903 121.223 -0.123 0.000 2.607 142 L HA 0.216 4.559 4.340 0.005 0.000 0.228 142 L C 1.018 177.748 176.870 -0.233 0.000 1.123 142 L CA 0.309 55.042 54.840 -0.178 0.000 0.890 142 L CB 0.183 42.086 42.059 -0.260 0.000 1.103 142 L HN 0.321 nan 8.230 nan 0.000 0.468 143 G N 0.617 109.196 108.800 -0.368 0.000 2.143 143 G HA2 -0.250 3.713 3.960 0.005 0.000 0.248 143 G HA3 -0.250 3.713 3.960 0.005 0.000 0.248 143 G C -0.026 174.503 174.900 -0.619 0.000 0.991 143 G CA 0.399 44.930 45.100 -0.948 0.000 0.689 143 G HN 0.201 nan 8.290 nan 0.000 0.522 144 V N 0.443 120.178 119.914 -0.298 0.000 3.234 144 V HA 0.932 5.054 4.120 0.005 0.000 0.317 144 V C 0.411 176.449 176.094 -0.093 0.000 1.147 144 V CA -0.428 61.766 62.300 -0.177 0.000 1.037 144 V CB 1.948 33.663 31.823 -0.180 0.000 1.148 144 V HN 0.942 nan 8.190 nan 0.000 0.455 145 I N -0.208 120.302 120.570 -0.100 0.000 3.002 145 I HA 0.711 4.884 4.170 0.005 0.000 0.310 145 I C -2.786 173.254 176.117 -0.130 0.000 1.087 145 I CA -2.801 58.454 61.300 -0.076 0.000 1.017 145 I CB 2.224 40.194 38.000 -0.051 0.000 1.226 145 I HN 0.375 nan 8.210 nan 0.000 0.443 146 P HA 0.173 nan 4.420 nan 0.000 0.263 146 P C 0.260 177.451 177.300 -0.183 0.000 1.195 146 P CA 0.172 63.202 63.100 -0.117 0.000 0.762 146 P CB 0.672 32.344 31.700 -0.047 0.000 0.799 147 G N 1.236 109.824 108.800 -0.355 0.000 3.735 147 G HA2 0.139 4.101 3.960 0.005 0.000 0.283 147 G HA3 0.139 4.101 3.960 0.005 0.000 0.283 147 G C 0.160 174.745 174.900 -0.525 0.000 1.007 147 G CA -0.021 44.802 45.100 -0.463 0.000 0.821 147 G HN 0.434 nan 8.290 nan 0.000 0.505 148 F N -0.014 119.910 119.950 -0.042 0.000 2.724 148 F HA 0.371 4.900 4.527 0.004 0.000 0.310 148 F C 1.633 177.419 175.800 -0.023 0.000 1.107 148 F CA 0.147 58.131 58.000 -0.027 0.000 1.218 148 F CB 1.622 40.612 39.000 -0.017 0.000 1.042 148 F HN 0.199 nan 8.300 nan 0.000 0.540 149 G N 0.161 109.021 108.800 0.100 0.000 2.192 149 G HA2 -0.222 3.740 3.960 0.005 0.000 0.193 149 G HA3 -0.222 3.740 3.960 0.005 0.000 0.193 149 G C 1.270 176.196 174.900 0.042 0.000 0.999 149 G CA -0.105 45.031 45.100 0.061 0.000 0.659 149 G HN 0.504 nan 8.290 nan 0.000 0.503 150 G N 0.767 109.593 108.800 0.043 0.000 2.422 150 G HA2 0.017 3.980 3.960 0.005 0.000 0.218 150 G HA3 0.017 3.980 3.960 0.005 0.000 0.218 150 G C 1.881 176.787 174.900 0.011 0.000 1.146 150 G CA 2.379 47.496 45.100 0.029 0.000 0.769 150 G HN 1.401 nan 8.290 nan 0.000 0.547 151 T N -1.842 112.712 114.554 0.001 0.000 3.025 151 T HA -0.021 4.332 4.350 0.005 0.000 0.270 151 T C 2.043 176.744 174.700 0.003 0.000 1.126 151 T CA 1.370 63.468 62.100 -0.003 0.000 1.105 151 T CB 0.030 68.891 68.868 -0.011 0.000 0.884 151 T HN 0.241 nan 8.240 nan 0.000 0.522 152 Q N 0.780 120.585 119.800 0.008 0.000 2.499 152 Q HA 0.294 4.637 4.340 0.005 0.000 0.213 152 Q C 2.562 178.569 176.000 0.012 0.000 0.929 152 Q CA 0.530 56.339 55.803 0.010 0.000 0.904 152 Q CB -0.082 28.665 28.738 0.013 0.000 1.052 152 Q HN 0.508 nan 8.270 nan 0.000 0.589 153 R N 0.474 120.982 120.500 0.014 0.000 2.119 153 R HA -0.003 4.340 4.340 0.005 0.000 0.222 153 R C 2.252 178.556 176.300 0.008 0.000 1.088 153 R CA 0.466 56.574 56.100 0.012 0.000 0.984 153 R CB -0.222 30.085 30.300 0.012 0.000 0.884 153 R HN 0.061 nan 8.270 nan 0.000 0.447 154 L N 2.001 123.228 121.223 0.007 0.000 1.994 154 L HA -0.061 4.281 4.340 0.005 0.000 0.208 154 L C -1.031 175.840 176.870 0.001 0.000 1.071 154 L CA 1.988 56.830 54.840 0.002 0.000 0.745 154 L CB -1.042 41.019 42.059 0.003 0.000 0.892 154 L HN -0.019 nan 8.230 nan 0.000 0.431 155 P HA -0.140 nan 4.420 nan 0.000 0.218 155 P C 1.328 178.630 177.300 0.003 0.000 1.148 155 P CA 1.589 64.691 63.100 0.002 0.000 0.822 155 P CB -0.100 31.602 31.700 0.004 0.000 0.784 156 R N -1.246 119.258 120.500 0.006 0.000 2.193 156 R HA 0.101 4.443 4.340 0.005 0.000 0.213 156 R C 2.014 178.320 176.300 0.009 0.000 1.055 156 R CA 0.723 56.828 56.100 0.010 0.000 0.995 156 R CB -0.450 29.859 30.300 0.015 0.000 0.893 156 R HN 0.270 nan 8.270 nan 0.000 0.459 157 L N -0.451 120.774 121.223 0.004 0.000 2.357 157 L HA 0.044 4.386 4.340 0.005 0.000 0.211 157 L C 1.814 178.679 176.870 -0.007 0.000 1.075 157 L CA 0.373 55.213 54.840 0.000 0.000 0.830 157 L CB 0.427 42.483 42.059 -0.005 0.000 0.996 157 L HN 0.057 nan 8.230 nan 0.000 0.467 158 V N -4.122 115.787 119.914 -0.008 0.000 3.556 158 V HA 0.634 4.757 4.120 0.005 0.000 0.287 158 V C 0.627 176.715 176.094 -0.010 0.000 1.422 158 V CA 0.212 62.505 62.300 -0.012 0.000 1.038 158 V CB 0.000 31.816 31.823 -0.012 0.000 0.850 158 V HN 0.332 nan 8.190 nan 0.000 0.437 159 G N 0.293 109.089 108.800 -0.007 0.000 2.619 159 G HA2 -0.054 3.909 3.960 0.005 0.000 0.686 159 G HA3 -0.054 3.909 3.960 0.005 0.000 0.686 159 G C -0.443 174.455 174.900 -0.005 0.000 1.256 159 G CA -0.123 44.973 45.100 -0.007 0.000 0.826 159 G HN 0.673 nan 8.290 nan 0.000 0.619 160 L N 0.610 121.830 121.223 -0.005 0.000 2.072 160 L HA 0.141 4.484 4.340 0.005 0.000 0.205 160 L C 2.936 179.804 176.870 -0.002 0.000 1.079 160 L CA 3.339 58.178 54.840 -0.002 0.000 0.752 160 L CB -0.845 41.213 42.059 -0.002 0.000 0.906 160 L HN 0.832 nan 8.230 nan 0.000 0.436 161 T N -0.669 113.880 114.554 -0.009 0.000 2.708 161 T HA -0.199 4.153 4.350 0.005 0.000 0.266 161 T C 1.905 176.602 174.700 -0.004 0.000 1.037 161 T CA 1.730 63.823 62.100 -0.012 0.000 1.146 161 T CB -0.150 68.703 68.868 -0.025 0.000 0.865 161 T HN 0.103 nan 8.240 nan 0.000 0.435 162 K N 1.669 122.065 120.400 -0.006 0.000 2.062 162 K HA 0.227 4.550 4.320 0.005 0.000 0.205 162 K C 2.308 178.908 176.600 0.001 0.000 1.051 162 K CA 1.242 57.527 56.287 -0.003 0.000 0.941 162 K CB -0.864 31.632 32.500 -0.006 0.000 0.719 162 K HN 0.221 nan 8.250 nan 0.000 0.440 163 A N 0.943 123.763 122.820 0.000 0.000 1.883 163 A HA -0.153 4.170 4.320 0.005 0.000 0.217 163 A C 2.248 179.836 177.584 0.005 0.000 1.186 163 A CA 1.738 53.776 52.037 0.002 0.000 0.624 163 A CB -0.815 18.186 19.000 0.002 0.000 0.822 163 A HN 0.328 nan 8.150 nan 0.000 0.444 164 L N -0.901 120.327 121.223 0.008 0.000 2.046 164 L HA -0.217 4.126 4.340 0.005 0.000 0.208 164 L C 2.737 179.617 176.870 0.016 0.000 1.077 164 L CA 1.896 56.745 54.840 0.014 0.000 0.747 164 L CB -0.499 41.575 42.059 0.025 0.000 0.896 164 L HN 0.653 nan 8.230 nan 0.000 0.432 165 E N 0.377 120.586 120.200 0.015 0.000 2.031 165 E HA -0.250 4.102 4.350 0.005 0.000 0.193 165 E C 2.339 178.946 176.600 0.011 0.000 0.994 165 E CA 1.341 57.750 56.400 0.016 0.000 0.800 165 E CB -0.039 29.668 29.700 0.013 0.000 0.752 165 E HN 0.400 nan 8.360 nan 0.000 0.447 166 M N 0.419 120.024 119.600 0.008 0.000 2.080 166 M HA -0.184 4.299 4.480 0.005 0.000 0.260 166 M C 2.428 178.732 176.300 0.007 0.000 1.068 166 M CA 1.501 56.805 55.300 0.007 0.000 1.109 166 M CB -0.297 32.305 32.600 0.004 0.000 1.342 166 M HN 0.213 nan 8.290 nan 0.000 0.405 167 I N -0.020 120.553 120.570 0.006 0.000 2.252 167 I HA -0.265 3.908 4.170 0.005 0.000 0.245 167 I C 2.259 178.379 176.117 0.005 0.000 1.102 167 I CA 1.169 62.472 61.300 0.004 0.000 1.385 167 I CB -0.338 37.663 38.000 0.002 0.000 1.064 167 I HN 0.309 nan 8.210 nan 0.000 0.414 168 L N -0.060 121.165 121.223 0.003 0.000 2.068 168 L HA -0.125 4.218 4.340 0.005 0.000 0.204 168 L C 2.510 179.382 176.870 0.003 0.000 1.076 168 L CA 1.433 56.272 54.840 -0.002 0.000 0.753 168 L CB -0.781 41.276 42.059 -0.003 0.000 0.910 168 L HN 0.204 nan 8.230 nan 0.000 0.439 169 T N -1.597 112.962 114.554 0.009 0.000 2.995 169 T HA -0.050 4.303 4.350 0.005 0.000 0.269 169 T C 1.362 176.070 174.700 0.014 0.000 1.091 169 T CA 0.917 63.024 62.100 0.012 0.000 1.128 169 T CB 0.136 69.012 68.868 0.013 0.000 0.891 169 T HN 0.324 nan 8.240 nan 0.000 0.492 170 S N -0.186 115.521 115.700 0.012 0.000 2.981 170 S HA -0.157 4.316 4.470 0.005 0.000 0.274 170 S C 0.349 174.956 174.600 0.011 0.000 1.297 170 S CA 0.845 59.051 58.200 0.011 0.000 1.266 170 S CB -1.079 62.130 63.200 0.014 0.000 1.542 170 S HN 0.607 nan 8.310 nan 0.000 0.674 171 K N 1.745 122.152 120.400 0.012 0.000 2.350 171 K HA 0.315 4.638 4.320 0.005 0.000 0.279 171 K C -2.390 174.217 176.600 0.011 0.000 1.027 171 K CA -1.326 54.969 56.287 0.013 0.000 0.969 171 K CB 0.336 32.844 32.500 0.015 0.000 0.954 171 K HN 0.125 nan 8.250 nan 0.000 0.474 172 P HA 0.173 nan 4.420 nan 0.000 0.276 172 P C -1.093 176.211 177.300 0.008 0.000 1.261 172 P CA -0.647 62.459 63.100 0.010 0.000 0.800 172 P CB 0.770 32.477 31.700 0.012 0.000 1.066 173 V N 0.545 120.462 119.914 0.004 0.000 2.841 173 V HA 0.360 4.483 4.120 0.005 0.000 0.310 173 V C -0.697 175.397 176.094 -0.000 0.000 1.090 173 V CA -0.986 61.316 62.300 0.003 0.000 0.930 173 V CB 2.076 33.900 31.823 0.001 0.000 1.014 173 V HN 0.314 nan 8.190 nan 0.000 0.425 174 K N 3.091 123.492 120.400 0.002 0.000 2.219 174 K HA 0.444 4.766 4.320 0.005 0.000 0.258 174 K C 1.214 177.811 176.600 -0.004 0.000 1.008 174 K CA 0.449 56.734 56.287 -0.002 0.000 0.928 174 K CB 1.148 33.649 32.500 0.001 0.000 0.983 174 K HN 0.842 nan 8.250 nan 0.000 0.484 175 A N 2.266 125.077 122.820 -0.014 0.000 1.908 175 A HA -0.216 4.107 4.320 0.005 0.000 0.218 175 A C 1.910 179.500 177.584 0.009 0.000 1.181 175 A CA 1.876 53.901 52.037 -0.020 0.000 0.627 175 A CB -0.383 18.590 19.000 -0.046 0.000 0.818 175 A HN 0.793 nan 8.150 nan 0.000 0.445 176 E N -0.389 119.817 120.200 0.010 0.000 2.033 176 E HA -0.227 4.126 4.350 0.005 0.000 0.199 176 E C 2.016 178.657 176.600 0.068 0.000 1.011 176 E CA 1.665 58.089 56.400 0.039 0.000 0.815 176 E CB -0.281 29.431 29.700 0.021 0.000 0.755 176 E HN 0.798 nan 8.360 nan 0.000 0.451 177 E N -0.326 119.896 120.200 0.036 0.000 2.110 177 E HA -0.160 4.192 4.350 0.005 0.000 0.193 177 E C 2.115 178.729 176.600 0.024 0.000 0.988 177 E CA 1.167 57.584 56.400 0.027 0.000 0.804 177 E CB -0.321 29.388 29.700 0.014 0.000 0.745 177 E HN 0.323 nan 8.360 nan 0.000 0.458 178 G N -0.378 108.437 108.800 0.025 0.000 2.422 178 G HA2 -0.319 3.643 3.960 0.005 0.000 0.218 178 G HA3 -0.319 3.643 3.960 0.005 0.000 0.218 178 G C 1.391 176.312 174.900 0.034 0.000 1.146 178 G CA 1.184 46.292 45.100 0.014 0.000 0.769 178 G HN 0.378 nan 8.290 nan 0.000 0.547 179 H N 1.806 120.853 119.070 -0.040 0.000 2.353 179 H HA -0.099 4.460 4.556 0.005 0.000 0.300 179 H C 2.728 178.044 175.328 -0.019 0.000 1.090 179 H CA 2.047 58.073 56.048 -0.037 0.000 1.327 179 H CB -0.184 29.557 29.762 -0.034 0.000 1.383 179 H HN 0.376 nan 8.280 nan 0.000 0.508 180 S N -0.510 115.137 115.700 -0.088 0.000 2.481 180 S HA -0.038 4.434 4.470 0.005 0.000 0.231 180 S C 2.001 176.540 174.600 -0.103 0.000 0.996 180 S CA 0.913 59.033 58.200 -0.134 0.000 0.942 180 S CB -0.289 62.888 63.200 -0.038 0.000 0.768 180 S HN 0.435 nan 8.310 nan 0.000 0.520 181 L N 0.571 121.752 121.223 -0.070 0.000 2.446 181 L HA 0.332 4.675 4.340 0.005 0.000 0.219 181 L C 1.966 178.803 176.870 -0.055 0.000 1.116 181 L CA 0.534 55.345 54.840 -0.049 0.000 0.844 181 L CB -0.434 41.608 42.059 -0.027 0.000 0.970 181 L HN 0.583 nan 8.230 nan 0.000 0.457 182 G N -0.066 108.687 108.800 -0.078 0.000 2.159 182 G HA2 -0.275 3.688 3.960 0.005 0.000 0.227 182 G HA3 -0.275 3.688 3.960 0.005 0.000 0.227 182 G C 0.617 175.493 174.900 -0.039 0.000 0.986 182 G CA 0.324 45.387 45.100 -0.061 0.000 0.651 182 G HN 0.196 nan 8.290 nan 0.000 0.523 183 L N 0.324 121.524 121.223 -0.037 0.000 2.127 183 L HA 0.475 4.817 4.340 0.005 0.000 0.203 183 L C 1.051 177.889 176.870 -0.053 0.000 1.080 183 L CA 1.232 56.049 54.840 -0.038 0.000 0.768 183 L CB -0.009 42.030 42.059 -0.034 0.000 0.924 183 L HN 0.232 nan 8.230 nan 0.000 0.444 184 I N 0.434 120.988 120.570 -0.027 0.000 2.378 184 I HA 0.185 4.358 4.170 0.005 0.000 0.291 184 I C 0.515 176.670 176.117 0.064 0.000 0.992 184 I CA -0.251 61.033 61.300 -0.026 0.000 1.154 184 I CB 1.278 39.275 38.000 -0.006 0.000 1.315 184 I HN 0.129 nan 8.210 nan 0.000 0.448 185 D N 4.524 124.878 120.400 -0.077 0.000 2.249 185 D HA 0.171 4.814 4.640 0.005 0.000 0.205 185 D C 0.562 176.876 176.300 0.024 0.000 0.962 185 D CA 0.809 54.764 54.000 -0.075 0.000 0.860 185 D CB 0.959 41.520 40.800 -0.400 0.000 0.955 185 D HN 0.622 nan 8.370 nan 0.000 0.505 186 A N -0.021 122.705 122.820 -0.156 0.000 2.577 186 A HA 0.485 4.808 4.320 0.005 0.000 0.297 186 A C -1.368 176.033 177.584 -0.305 0.000 1.060 186 A CA -0.580 51.313 52.037 -0.240 0.000 0.697 186 A CB 1.594 20.503 19.000 -0.151 0.000 1.281 186 A HN -0.120 nan 8.150 nan 0.000 0.402 187 V N 2.647 122.331 119.914 -0.382 0.000 2.357 187 V HA 0.630 4.753 4.120 0.005 0.000 0.284 187 V C 0.087 176.088 176.094 -0.156 0.000 1.018 187 V CA -0.278 61.870 62.300 -0.253 0.000 0.841 187 V CB 0.984 32.647 31.823 -0.268 0.000 0.991 187 V HN 1.350 nan 8.190 nan 0.000 0.437 188 V N 3.589 123.439 119.914 -0.107 0.000 3.074 188 V HA 0.790 4.913 4.120 0.005 0.000 0.314 188 V C -2.864 173.200 176.094 -0.050 0.000 1.117 188 V CA -3.067 59.195 62.300 -0.064 0.000 1.014 188 V CB 2.105 33.904 31.823 -0.040 0.000 1.057 188 V HN 0.582 nan 8.190 nan 0.000 0.438 189 P HA 0.263 nan 4.420 nan 0.000 0.267 189 P C -2.270 175.016 177.300 -0.022 0.000 1.200 189 P CA -1.025 62.059 63.100 -0.026 0.000 0.772 189 P CB -0.037 31.652 31.700 -0.018 0.000 0.855 190 P HA -0.211 nan 4.420 nan 0.000 0.217 190 P C 0.991 178.286 177.300 -0.008 0.000 1.148 190 P CA 1.831 64.922 63.100 -0.013 0.000 0.828 190 P CB -0.319 31.375 31.700 -0.010 0.000 0.783 191 A N -0.680 122.136 122.820 -0.008 0.000 2.169 191 A HA -0.070 4.253 4.320 0.005 0.000 0.212 191 A C 1.726 179.309 177.584 -0.002 0.000 1.153 191 A CA 0.947 52.982 52.037 -0.004 0.000 0.756 191 A CB -0.617 18.380 19.000 -0.004 0.000 0.813 191 A HN 0.205 nan 8.150 nan 0.000 0.471 192 E N -1.071 119.126 120.200 -0.004 0.000 2.526 192 E HA 0.116 4.469 4.350 0.005 0.000 0.208 192 E C 1.232 177.831 176.600 -0.000 0.000 0.997 192 E CA -0.374 56.026 56.400 0.000 0.000 0.961 192 E CB 0.124 29.824 29.700 0.001 0.000 1.030 192 E HN 0.388 nan 8.360 nan 0.000 0.483 193 L N 0.975 122.194 121.223 -0.007 0.000 1.963 193 L HA -0.242 4.100 4.340 0.005 0.000 0.220 193 L C 2.183 179.051 176.870 -0.003 0.000 1.076 193 L CA 1.828 56.659 54.840 -0.014 0.000 0.772 193 L CB -0.563 41.489 42.059 -0.011 0.000 0.892 193 L HN 0.001 nan 8.230 nan 0.000 0.435 194 V N -1.444 118.474 119.914 0.007 0.000 2.427 194 V HA -0.263 3.859 4.120 0.005 0.000 0.248 194 V C 2.429 178.535 176.094 0.020 0.000 1.051 194 V CA 2.000 64.309 62.300 0.015 0.000 1.048 194 V CB -0.736 31.096 31.823 0.015 0.000 0.666 194 V HN 0.550 nan 8.190 nan 0.000 0.456 195 T N -0.283 114.282 114.554 0.019 0.000 2.708 195 T HA -0.203 4.149 4.350 0.005 0.000 0.266 195 T C 1.993 176.719 174.700 0.044 0.000 1.037 195 T CA 2.226 64.341 62.100 0.025 0.000 1.146 195 T CB -0.353 68.526 68.868 0.019 0.000 0.865 195 T HN 0.545 nan 8.240 nan 0.000 0.435 196 T N 1.881 116.464 114.554 0.048 0.000 2.746 196 T HA -0.046 4.307 4.350 0.005 0.000 0.267 196 T C 2.331 177.109 174.700 0.130 0.000 1.039 196 T CA 1.188 63.341 62.100 0.090 0.000 1.142 196 T CB -0.513 68.395 68.868 0.068 0.000 0.866 196 T HN 0.426 nan 8.240 nan 0.000 0.444 197 A N 2.472 125.333 122.820 0.067 0.000 1.877 197 A HA -0.156 4.167 4.320 0.005 0.000 0.216 197 A C 2.318 179.967 177.584 0.108 0.000 1.186 197 A CA 1.892 53.967 52.037 0.063 0.000 0.620 197 A CB -0.543 18.460 19.000 0.004 0.000 0.822 197 A HN 0.677 nan 8.150 nan 0.000 0.443 198 R N -0.577 119.966 120.500 0.071 0.000 2.115 198 R HA -0.034 4.309 4.340 0.005 0.000 0.230 198 R C 2.244 178.582 176.300 0.063 0.000 1.111 198 R CA 1.333 57.465 56.100 0.054 0.000 0.976 198 R CB -0.479 29.838 30.300 0.028 0.000 0.870 198 R HN 0.472 nan 8.270 nan 0.000 0.445 199 R N 0.235 120.782 120.500 0.080 0.000 2.075 199 R HA -0.147 4.196 4.340 0.005 0.000 0.232 199 R C 1.802 178.150 176.300 0.079 0.000 1.126 199 R CA 1.523 57.660 56.100 0.061 0.000 0.963 199 R CB -0.355 29.982 30.300 0.061 0.000 0.858 199 R HN 0.483 nan 8.270 nan 0.000 0.435 200 W N 1.167 122.445 121.300 -0.037 0.000 2.358 200 W HA -0.135 4.528 4.660 0.005 0.000 0.303 200 W C 1.862 178.338 176.519 -0.072 0.000 1.208 200 W CA 1.762 59.080 57.345 -0.044 0.000 1.274 200 W CB -0.388 29.050 29.460 -0.036 0.000 1.138 200 W HN 0.257 nan 8.180 nan 0.000 0.515 201 A N 0.541 123.482 122.820 0.202 0.000 1.908 201 A HA -0.195 4.128 4.320 0.005 0.000 0.218 201 A C 2.158 179.712 177.584 -0.050 0.000 1.181 201 A CA 1.699 53.772 52.037 0.059 0.000 0.627 201 A CB -1.126 17.895 19.000 0.035 0.000 0.818 201 A HN 0.307 nan 8.150 nan 0.000 0.445 202 L N -0.785 120.417 121.223 -0.036 0.000 2.313 202 L HA -0.089 4.254 4.340 0.005 0.000 0.214 202 L C 1.707 178.521 176.870 -0.092 0.000 1.119 202 L CA 0.732 55.536 54.840 -0.061 0.000 0.809 202 L CB -0.558 41.479 42.059 -0.036 0.000 0.933 202 L HN 0.302 nan 8.230 nan 0.000 0.449 203 D N 0.683 121.006 120.400 -0.129 0.000 2.117 203 D HA -0.149 4.494 4.640 0.005 0.000 0.197 203 D C 2.260 178.449 176.300 -0.184 0.000 0.987 203 D CA 1.267 55.150 54.000 -0.195 0.000 0.829 203 D CB 0.074 40.660 40.800 -0.357 0.000 0.961 203 D HN 0.285 nan 8.370 nan 0.000 0.460 204 I N 0.293 120.743 120.570 -0.201 0.000 2.202 204 I HA -0.211 3.962 4.170 0.005 0.000 0.242 204 I C 2.417 178.432 176.117 -0.170 0.000 1.091 204 I CA 0.523 61.696 61.300 -0.212 0.000 1.368 204 I CB -0.180 37.600 38.000 -0.367 0.000 1.058 204 I HN -0.125 nan 8.210 nan 0.000 0.410 205 V N 1.008 120.810 119.914 -0.187 0.000 2.469 205 V HA -0.222 3.901 4.120 0.005 0.000 0.251 205 V C 2.187 178.278 176.094 -0.005 0.000 1.064 205 V CA 2.134 64.385 62.300 -0.082 0.000 1.066 205 V CB -1.012 30.767 31.823 -0.073 0.000 0.667 205 V HN 0.617 nan 8.190 nan 0.000 0.461 206 G N -1.587 107.192 108.800 -0.035 0.000 3.088 206 G HA2 0.111 4.074 3.960 0.005 0.000 0.217 206 G HA3 0.111 4.074 3.960 0.005 0.000 0.217 206 G C 0.858 175.748 174.900 -0.016 0.000 1.159 206 G CA 0.017 45.105 45.100 -0.021 0.000 0.760 206 G HN 0.462 nan 8.290 nan 0.000 0.550 207 R N -1.436 119.058 120.500 -0.010 0.000 3.951 207 R HA -0.180 4.163 4.340 0.005 0.000 0.352 207 R C 1.560 177.838 176.300 -0.037 0.000 1.178 207 R CA 0.958 57.060 56.100 0.004 0.000 0.949 207 R CB -1.486 28.829 30.300 0.025 0.000 1.452 207 R HN 0.369 nan 8.270 nan 0.000 0.540 208 R N 0.711 121.162 120.500 -0.081 0.000 2.240 208 R HA 0.121 4.464 4.340 0.005 0.000 0.203 208 R C 0.236 176.440 176.300 -0.160 0.000 1.011 208 R CA 0.768 56.800 56.100 -0.113 0.000 1.007 208 R CB 0.226 30.445 30.300 -0.137 0.000 0.911 208 R HN 0.134 nan 8.270 nan 0.000 0.468 209 K N 0.256 120.554 120.400 -0.169 0.000 2.508 209 K HA 0.353 4.676 4.320 0.005 0.000 0.260 209 K C -2.804 173.767 176.600 -0.049 0.000 0.949 209 K CA -2.223 53.952 56.287 -0.186 0.000 0.834 209 K CB 2.280 34.516 32.500 -0.441 0.000 1.365 209 K HN -0.280 nan 8.250 nan 0.000 0.437 210 P HA -0.065 nan 4.420 nan 0.000 0.267 210 P C -1.021 176.398 177.300 0.197 0.000 1.200 210 P CA -0.135 63.035 63.100 0.117 0.000 0.772 210 P CB 0.370 32.144 31.700 0.123 0.000 0.855 211 W N 5.438 126.752 121.300 0.024 0.000 2.296 211 W HA 0.345 5.008 4.660 0.005 0.000 0.333 211 W C -1.581 174.956 176.519 0.031 0.000 0.931 211 W CA -0.487 56.860 57.345 0.003 0.000 1.538 211 W CB 0.158 29.581 29.460 -0.061 0.000 1.417 211 W HN -0.011 nan 8.180 nan 0.000 0.380 212 V N 4.364 124.540 119.914 0.436 0.000 2.439 212 V HA 0.301 4.423 4.120 0.005 0.000 0.282 212 V C 0.426 176.762 176.094 0.403 0.000 1.039 212 V CA -0.403 62.092 62.300 0.324 0.000 0.913 212 V CB 1.508 33.465 31.823 0.223 0.000 0.983 212 V HN 0.288 nan 8.190 nan 0.000 0.460 213 S N 2.882 118.755 115.700 0.288 0.000 2.422 213 S HA 0.185 4.657 4.470 0.005 0.000 0.298 213 S C 1.236 175.920 174.600 0.141 0.000 1.118 213 S CA -0.514 57.839 58.200 0.254 0.000 1.083 213 S CB 1.423 64.734 63.200 0.184 0.000 0.971 213 S HN 0.866 nan 8.310 nan 0.000 0.478 214 S N 2.550 118.314 115.700 0.108 0.000 2.382 214 S HA -0.101 4.372 4.470 0.005 0.000 0.228 214 S C 1.930 176.558 174.600 0.046 0.000 1.027 214 S CA 0.708 58.945 58.200 0.062 0.000 0.991 214 S CB -0.136 63.084 63.200 0.032 0.000 0.823 214 S HN 0.573 nan 8.310 nan 0.000 0.469 215 V N 2.330 122.271 119.914 0.044 0.000 2.667 215 V HA -0.047 4.076 4.120 0.005 0.000 0.252 215 V C 1.534 177.647 176.094 0.031 0.000 1.065 215 V CA 1.700 64.020 62.300 0.032 0.000 1.083 215 V CB -0.286 31.554 31.823 0.028 0.000 0.692 215 V HN 0.641 nan 8.190 nan 0.000 0.468 216 S N -1.008 114.716 115.700 0.039 0.000 2.537 216 S HA 0.289 4.762 4.470 0.005 0.000 0.246 216 S C 0.241 174.860 174.600 0.032 0.000 1.036 216 S CA -0.395 57.823 58.200 0.030 0.000 1.041 216 S CB -0.068 63.148 63.200 0.026 0.000 0.799 216 S HN 0.514 nan 8.310 nan 0.000 0.456 217 K N 1.003 121.424 120.400 0.035 0.000 2.213 217 K HA 0.413 4.735 4.320 0.005 0.000 0.270 217 K C -0.228 176.387 176.600 0.023 0.000 1.002 217 K CA -0.248 56.059 56.287 0.034 0.000 0.868 217 K CB 0.913 33.438 32.500 0.042 0.000 1.093 217 K HN 0.085 nan 8.250 nan 0.000 0.454 218 T N 2.304 116.870 114.554 0.020 0.000 2.975 218 T HA -0.016 4.336 4.350 0.005 0.000 0.257 218 T C 0.758 175.465 174.700 0.011 0.000 1.003 218 T CA -0.158 61.950 62.100 0.014 0.000 0.932 218 T CB 0.114 68.989 68.868 0.011 0.000 1.087 218 T HN 0.608 nan 8.240 nan 0.000 0.512 219 D N 2.181 122.590 120.400 0.015 0.000 2.200 219 D HA -0.152 4.491 4.640 0.005 0.000 0.192 219 D C 1.860 178.164 176.300 0.007 0.000 1.008 219 D CA 1.295 55.302 54.000 0.012 0.000 0.872 219 D CB 0.145 40.955 40.800 0.017 0.000 0.923 219 D HN 0.236 nan 8.370 nan 0.000 0.447 220 K N -0.351 120.053 120.400 0.007 0.000 2.361 220 K HA 0.158 4.481 4.320 0.005 0.000 0.194 220 K C 0.857 177.457 176.600 -0.000 0.000 1.032 220 K CA -0.115 56.173 56.287 0.002 0.000 1.048 220 K CB 0.398 32.899 32.500 0.001 0.000 0.842 220 K HN 0.230 nan 8.250 nan 0.000 0.526 221 L N 2.774 123.998 121.223 0.002 0.000 2.417 221 L HA 0.166 4.509 4.340 0.005 0.000 0.268 221 L C -1.940 174.928 176.870 -0.002 0.000 1.158 221 L CA -1.822 53.019 54.840 0.001 0.000 0.819 221 L CB -0.004 42.057 42.059 0.003 0.000 1.112 221 L HN -0.114 nan 8.230 nan 0.000 0.458 222 P HA 0.276 nan 4.420 nan 0.000 0.276 222 P C -2.515 174.783 177.300 -0.004 0.000 1.252 222 P CA -1.303 61.793 63.100 -0.006 0.000 0.802 222 P CB -0.236 31.459 31.700 -0.010 0.000 1.035 223 P HA 0.037 nan 4.420 nan 0.000 0.266 223 P C 1.148 178.447 177.300 -0.001 0.000 1.195 223 P CA -0.033 63.066 63.100 -0.003 0.000 0.768 223 P CB 0.351 32.049 31.700 -0.004 0.000 0.838 224 L N 2.598 123.821 121.223 0.000 0.000 2.034 224 L HA -0.278 4.065 4.340 0.005 0.000 0.217 224 L C 2.130 179.001 176.870 0.002 0.000 1.077 224 L CA 2.568 57.409 54.840 0.002 0.000 0.769 224 L CB -1.021 41.040 42.059 0.002 0.000 0.890 224 L HN 0.602 nan 8.230 nan 0.000 0.435 225 G N -1.359 107.441 108.800 0.001 0.000 2.402 225 G HA2 -0.314 3.649 3.960 0.005 0.000 0.216 225 G HA3 -0.314 3.649 3.960 0.005 0.000 0.216 225 G C 1.427 176.328 174.900 0.002 0.000 1.162 225 G CA 0.771 45.872 45.100 0.002 0.000 0.777 225 G HN 0.573 nan 8.290 nan 0.000 0.539 226 E N 0.449 120.648 120.200 -0.002 0.000 2.152 226 E HA 0.046 4.399 4.350 0.005 0.000 0.192 226 E C 2.732 179.330 176.600 -0.003 0.000 0.983 226 E CA 0.777 57.173 56.400 -0.006 0.000 0.818 226 E CB -0.198 29.495 29.700 -0.012 0.000 0.758 226 E HN 0.318 nan 8.360 nan 0.000 0.467 227 A N 1.506 124.326 122.820 -0.001 0.000 1.940 227 A HA -0.184 4.139 4.320 0.005 0.000 0.219 227 A C 2.169 179.759 177.584 0.011 0.000 1.176 227 A CA 1.346 53.385 52.037 0.003 0.000 0.631 227 A CB -0.458 18.544 19.000 0.003 0.000 0.814 227 A HN 0.174 nan 8.150 nan 0.000 0.446 228 R N -0.892 119.616 120.500 0.012 0.000 2.115 228 R HA -0.127 4.216 4.340 0.005 0.000 0.230 228 R C 2.218 178.536 176.300 0.029 0.000 1.111 228 R CA 1.394 57.504 56.100 0.018 0.000 0.976 228 R CB -0.228 30.080 30.300 0.013 0.000 0.870 228 R HN 0.789 nan 8.270 nan 0.000 0.445 229 E N 0.809 121.024 120.200 0.026 0.000 2.106 229 E HA -0.151 4.202 4.350 0.005 0.000 0.192 229 E C 1.882 178.519 176.600 0.062 0.000 0.984 229 E CA 0.893 57.316 56.400 0.039 0.000 0.806 229 E CB 0.063 29.771 29.700 0.014 0.000 0.750 229 E HN 0.273 nan 8.360 nan 0.000 0.458 230 I N 0.536 121.127 120.570 0.034 0.000 2.286 230 I HA -0.247 3.925 4.170 0.005 0.000 0.245 230 I C 2.247 178.424 176.117 0.100 0.000 1.104 230 I CA 0.669 61.994 61.300 0.040 0.000 1.397 230 I CB -0.061 37.940 38.000 0.000 0.000 1.072 230 I HN 0.174 nan 8.210 nan 0.000 0.417 231 L N -0.203 121.060 121.223 0.066 0.000 2.056 231 L HA -0.177 4.166 4.340 0.005 0.000 0.207 231 L C 2.627 179.536 176.870 0.064 0.000 1.078 231 L CA 1.428 56.302 54.840 0.057 0.000 0.749 231 L CB -0.761 41.316 42.059 0.029 0.000 0.901 231 L HN 0.193 nan 8.230 nan 0.000 0.433 232 T N -0.245 114.350 114.554 0.068 0.000 2.652 232 T HA -0.263 4.089 4.350 0.005 0.000 0.267 232 T C 1.607 176.351 174.700 0.075 0.000 1.039 232 T CA 1.852 63.985 62.100 0.056 0.000 1.153 232 T CB -0.407 68.494 68.868 0.054 0.000 0.863 232 T HN 0.244 nan 8.240 nan 0.000 0.428 233 F N 2.099 122.040 119.950 -0.015 0.000 2.043 233 F HA -0.181 4.348 4.527 0.004 0.000 0.297 233 F C 2.452 178.240 175.800 -0.020 0.000 1.118 233 F CA 1.543 59.534 58.000 -0.016 0.000 1.202 233 F CB -0.792 38.200 39.000 -0.013 0.000 0.965 233 F HN 0.163 nan 8.300 nan 0.000 0.482 234 A N 0.413 123.355 122.820 0.203 0.000 1.859 234 A HA -0.311 4.012 4.320 0.005 0.000 0.217 234 A C 2.210 179.753 177.584 -0.068 0.000 1.198 234 A CA 2.451 54.532 52.037 0.073 0.000 0.629 234 A CB -1.006 18.054 19.000 0.100 0.000 0.830 234 A HN 0.529 nan 8.150 nan 0.000 0.446 235 K N -0.446 119.926 120.400 -0.048 0.000 2.059 235 K HA -0.195 4.128 4.320 0.005 0.000 0.212 235 K C 2.319 178.846 176.600 -0.120 0.000 1.050 235 K CA 1.453 57.695 56.287 -0.074 0.000 0.927 235 K CB -0.449 32.022 32.500 -0.048 0.000 0.714 235 K HN 0.494 nan 8.250 nan 0.000 0.447 236 A N 1.956 124.680 122.820 -0.161 0.000 1.865 236 A HA -0.271 4.052 4.320 0.005 0.000 0.217 236 A C 2.157 179.596 177.584 -0.241 0.000 1.191 236 A CA 1.968 53.886 52.037 -0.200 0.000 0.623 236 A CB -0.679 18.177 19.000 -0.240 0.000 0.826 236 A HN 0.560 nan 8.150 nan 0.000 0.444 237 Q N -1.650 117.941 119.800 -0.348 0.000 2.435 237 Q HA -0.010 4.333 4.340 0.005 0.000 0.207 237 Q C 1.330 177.225 176.000 -0.175 0.000 0.956 237 Q CA 1.506 57.131 55.803 -0.296 0.000 0.917 237 Q CB -0.523 27.971 28.738 -0.407 0.000 0.997 237 Q HN 0.405 nan 8.270 nan 0.000 0.497 238 T N 0.844 115.306 114.554 -0.154 0.000 3.043 238 T HA 0.121 4.474 4.350 0.005 0.000 0.263 238 T C 1.443 176.066 174.700 -0.129 0.000 1.094 238 T CA 0.447 62.472 62.100 -0.125 0.000 1.127 238 T CB 0.065 68.863 68.868 -0.117 0.000 0.905 238 T HN 0.238 nan 8.240 nan 0.000 0.490 239 L N 0.469 121.616 121.223 -0.126 0.000 2.509 239 L HA 0.128 4.471 4.340 0.005 0.000 0.222 239 L C 2.896 179.706 176.870 -0.100 0.000 1.123 239 L CA 0.584 55.357 54.840 -0.112 0.000 0.856 239 L CB -0.318 41.681 42.059 -0.099 0.000 0.985 239 L HN 0.215 nan 8.230 nan 0.000 0.456 240 K N -0.198 120.139 120.400 -0.106 0.000 2.166 240 K HA 0.008 4.330 4.320 0.005 0.000 0.201 240 K C 2.102 178.659 176.600 -0.071 0.000 1.052 240 K CA 0.530 56.766 56.287 -0.086 0.000 0.969 240 K CB -0.099 nan 32.500 nan 0.000 0.761 240 K HN 0.101 nan 8.250 nan 0.000 0.459 241 R N -0.332 120.121 120.500 -0.078 0.000 2.075 241 R HA 0.258 4.601 4.340 0.005 0.000 0.220 241 R C 1.130 177.388 176.300 -0.070 0.000 1.118 241 R CA 1.146 57.210 56.100 -0.061 0.000 0.986 241 R CB -0.408 29.859 30.300 -0.055 0.000 0.884 241 R HN 0.358 nan 8.270 nan 0.000 0.439 242 A N 2.502 125.262 122.820 -0.101 0.000 3.047 242 A HA 0.433 4.755 4.320 0.005 0.000 0.337 242 A C -2.041 175.437 177.584 -0.176 0.000 1.143 242 A CA -1.274 50.678 52.037 -0.142 0.000 0.905 242 A CB 0.698 19.602 19.000 -0.160 0.000 1.088 242 A HN -0.036 nan 8.150 nan 0.000 0.488 243 P HA -0.121 nan 4.420 nan 0.000 0.223 243 P C 0.979 178.171 177.300 -0.180 0.000 1.151 243 P CA 1.244 64.264 63.100 -0.134 0.000 0.787 243 P CB 0.087 31.734 31.700 -0.088 0.000 0.788 244 N N -0.912 117.622 118.700 -0.276 0.000 2.270 244 N HA -0.086 4.657 4.740 0.005 0.000 0.181 244 N C 0.643 175.884 175.510 -0.449 0.000 1.016 244 N CA 1.049 53.846 53.050 -0.422 0.000 0.870 244 N CB -0.850 37.160 38.487 -0.795 0.000 0.979 244 N HN 0.153 nan 8.380 nan 0.000 0.431 245 M N -0.403 118.946 119.600 -0.419 0.000 2.508 245 M HA 0.343 4.826 4.480 0.005 0.000 0.327 245 M C 0.445 176.601 176.300 -0.241 0.000 1.160 245 M CA -0.542 54.580 55.300 -0.296 0.000 0.980 245 M CB 2.645 35.070 32.600 -0.291 0.000 1.693 245 M HN -0.100 nan 8.290 nan 0.000 0.452 246 K N -0.084 120.238 120.400 -0.130 0.000 2.365 246 K HA 0.043 4.366 4.320 0.005 0.000 0.195 246 K C 1.636 178.165 176.600 -0.119 0.000 1.079 246 K CA 0.557 56.779 56.287 -0.109 0.000 0.979 246 K CB 0.173 32.652 32.500 -0.035 0.000 0.929 246 K HN 0.783 nan 8.250 nan 0.000 0.523 247 H N 0.408 119.438 119.070 -0.065 0.000 2.390 247 H HA -0.060 4.499 4.556 0.004 0.000 0.298 247 H C -1.185 174.110 175.328 -0.054 0.000 1.106 247 H CA 0.902 56.917 56.048 -0.055 0.000 1.297 247 H CB -1.804 27.927 29.762 -0.052 0.000 1.375 247 H HN 0.082 nan 8.280 nan 0.000 0.509 248 P HA -0.136 nan 4.420 nan 0.000 0.215 248 P C 1.508 178.731 177.300 -0.128 0.000 1.157 248 P CA 1.316 64.274 63.100 -0.237 0.000 0.868 248 P CB -0.055 31.462 31.700 -0.305 0.000 0.788 249 L N -2.065 119.078 121.223 -0.134 0.000 2.083 249 L HA -0.128 4.215 4.340 0.005 0.000 0.209 249 L C 2.536 179.375 176.870 -0.053 0.000 1.083 249 L CA 1.471 56.261 54.840 -0.084 0.000 0.752 249 L CB -0.957 41.051 42.059 -0.085 0.000 0.899 249 L HN -0.038 nan 8.230 nan 0.000 0.433 250 M N -1.071 118.503 119.600 -0.044 0.000 2.279 250 M HA -0.227 4.256 4.480 0.005 0.000 0.264 250 M C 2.549 178.839 176.300 -0.016 0.000 1.062 250 M CA 1.326 56.614 55.300 -0.019 0.000 1.099 250 M CB -0.603 31.998 32.600 0.001 0.000 1.394 250 M HN 0.467 nan 8.290 nan 0.000 0.426 251 C N 0.669 119.959 119.300 -0.018 0.000 2.475 251 C HA -0.004 4.459 4.460 0.005 0.000 0.279 251 C C 2.504 177.484 174.990 -0.017 0.000 1.322 251 C CA 0.380 59.389 59.018 -0.015 0.000 1.734 251 C CB -0.867 26.868 27.740 -0.007 0.000 2.005 251 C HN 0.520 nan 8.230 nan 0.000 0.495 252 L N 0.748 121.957 121.223 -0.023 0.000 2.141 252 L HA -0.082 4.260 4.340 0.005 0.000 0.209 252 L C 2.358 179.220 176.870 -0.012 0.000 1.094 252 L CA 1.509 56.339 54.840 -0.017 0.000 0.763 252 L CB -0.719 41.327 42.059 -0.022 0.000 0.908 252 L HN 0.330 nan 8.230 nan 0.000 0.437 253 D N 0.558 120.949 120.400 -0.015 0.000 2.092 253 D HA -0.204 4.439 4.640 0.005 0.000 0.193 253 D C 2.259 178.554 176.300 -0.008 0.000 0.994 253 D CA 1.708 55.702 54.000 -0.011 0.000 0.828 253 D CB -0.134 40.658 40.800 -0.013 0.000 0.963 253 D HN 0.301 nan 8.370 nan 0.000 0.450 254 A N 0.628 123.442 122.820 -0.010 0.000 1.978 254 A HA -0.167 4.156 4.320 0.005 0.000 0.220 254 A C 2.403 179.983 177.584 -0.005 0.000 1.170 254 A CA 1.032 53.064 52.037 -0.009 0.000 0.636 254 A CB -0.703 18.288 19.000 -0.014 0.000 0.810 254 A HN 0.245 nan 8.150 nan 0.000 0.448 255 I N -1.067 119.500 120.570 -0.005 0.000 2.233 255 I HA -0.217 3.956 4.170 0.005 0.000 0.243 255 I C 2.565 178.683 176.117 0.001 0.000 1.093 255 I CA 1.710 63.009 61.300 -0.001 0.000 1.380 255 I CB -0.426 37.574 38.000 -0.000 0.000 1.067 255 I HN 0.525 nan 8.210 nan 0.000 0.413 256 E N 1.159 121.360 120.200 0.001 0.000 2.051 256 E HA -0.187 4.166 4.350 0.005 0.000 0.192 256 E C 2.315 178.916 176.600 0.002 0.000 0.991 256 E CA 1.512 57.913 56.400 0.003 0.000 0.799 256 E CB 0.137 29.839 29.700 0.002 0.000 0.748 256 E HN 0.221 nan 8.360 nan 0.000 0.449 257 V N 0.791 120.706 119.914 0.001 0.000 2.287 257 V HA -0.254 3.869 4.120 0.005 0.000 0.248 257 V C 2.427 178.523 176.094 0.003 0.000 1.053 257 V CA 2.015 64.316 62.300 0.002 0.000 1.027 257 V CB -1.072 30.752 31.823 0.001 0.000 0.646 257 V HN 0.544 nan 8.190 nan 0.000 0.447 258 G N -0.482 108.320 108.800 0.003 0.000 2.432 258 G HA2 -0.199 3.763 3.960 0.005 0.000 0.219 258 G HA3 -0.199 3.763 3.960 0.005 0.000 0.219 258 G C 1.557 176.460 174.900 0.006 0.000 1.135 258 G CA 0.985 46.088 45.100 0.005 0.000 0.767 258 G HN 0.507 nan 8.290 nan 0.000 0.550 259 I N -0.088 120.485 120.570 0.005 0.000 2.233 259 I HA -0.083 4.090 4.170 0.005 0.000 0.243 259 I C 2.657 178.777 176.117 0.005 0.000 1.093 259 I CA 0.402 61.705 61.300 0.005 0.000 1.380 259 I CB -0.141 37.862 38.000 0.005 0.000 1.067 259 I HN 0.035 nan 8.210 nan 0.000 0.413 260 V N -0.140 119.777 119.914 0.005 0.000 2.256 260 V HA -0.151 3.971 4.120 0.005 0.000 0.240 260 V C 2.100 178.197 176.094 0.004 0.000 1.036 260 V CA 1.811 64.113 62.300 0.004 0.000 1.008 260 V CB -0.333 31.492 31.823 0.004 0.000 0.648 260 V HN 0.301 nan 8.190 nan 0.000 0.453 261 S N -0.398 115.305 115.700 0.004 0.000 2.603 261 S HA 0.415 4.887 4.470 0.005 0.000 0.220 261 S C 0.751 175.355 174.600 0.006 0.000 0.967 261 S CA 0.678 58.881 58.200 0.005 0.000 0.920 261 S CB -0.241 62.962 63.200 0.005 0.000 0.773 261 S HN 1.014 nan 8.310 nan 0.000 0.529 262 G N 1.621 110.425 108.800 0.006 0.000 2.661 262 G HA2 -0.116 3.847 3.960 0.005 0.000 0.685 262 G HA3 -0.116 3.847 3.960 0.005 0.000 0.685 262 G C -2.685 172.221 174.900 0.008 0.000 1.298 262 G CA -0.702 44.402 45.100 0.007 0.000 0.855 262 G HN 0.091 nan 8.290 nan 0.000 0.560 263 P HA -0.027 nan 4.420 nan 0.000 0.214 263 P C 1.901 179.208 177.300 0.012 0.000 1.162 263 P CA 1.668 64.775 63.100 0.012 0.000 0.879 263 P CB -0.007 31.702 31.700 0.014 0.000 0.786 264 R N -0.185 120.323 120.500 0.013 0.000 2.120 264 R HA -0.093 4.250 4.340 0.005 0.000 0.234 264 R C 2.088 178.396 176.300 0.013 0.000 1.123 264 R CA 1.573 57.682 56.100 0.014 0.000 0.975 264 R CB -0.842 29.467 30.300 0.014 0.000 0.866 264 R HN 0.068 nan 8.270 nan 0.000 0.446 265 A N -0.071 122.755 122.820 0.011 0.000 1.898 265 A HA -0.023 4.300 4.320 0.005 0.000 0.216 265 A C 2.322 179.911 177.584 0.008 0.000 1.181 265 A CA 1.493 53.536 52.037 0.009 0.000 0.620 265 A CB -1.141 17.863 19.000 0.008 0.000 0.819 265 A HN 0.550 nan 8.150 nan 0.000 0.442 266 G N 0.015 108.820 108.800 0.008 0.000 2.440 266 G HA2 -0.197 3.766 3.960 0.005 0.000 0.218 266 G HA3 -0.197 3.766 3.960 0.005 0.000 0.218 266 G C 1.562 176.465 174.900 0.005 0.000 1.154 266 G CA 1.090 46.193 45.100 0.006 0.000 0.767 266 G HN 0.426 nan 8.290 nan 0.000 0.552 267 L N 0.064 121.293 121.223 0.010 0.000 1.970 267 L HA -0.113 4.230 4.340 0.005 0.000 0.212 267 L C 2.938 179.814 176.870 0.010 0.000 1.071 267 L CA 1.726 56.573 54.840 0.012 0.000 0.751 267 L CB -0.622 41.449 42.059 0.020 0.000 0.889 267 L HN 0.287 nan 8.230 nan 0.000 0.432 268 E N -0.294 119.915 120.200 0.014 0.000 2.160 268 E HA -0.243 4.110 4.350 0.005 0.000 0.195 268 E C 2.158 178.762 176.600 0.007 0.000 0.991 268 E CA 0.788 57.197 56.400 0.015 0.000 0.810 268 E CB -0.026 29.685 29.700 0.018 0.000 0.742 268 E HN 0.217 nan 8.360 nan 0.000 0.466 269 K N 0.964 121.366 120.400 0.003 0.000 2.057 269 K HA -0.163 4.160 4.320 0.005 0.000 0.206 269 K C 2.272 178.866 176.600 -0.010 0.000 1.050 269 K CA 1.666 57.952 56.287 -0.002 0.000 0.935 269 K CB -0.065 32.434 32.500 -0.002 0.000 0.715 269 K HN 0.232 nan 8.250 nan 0.000 0.439 270 E N 0.487 120.679 120.200 -0.013 0.000 2.072 270 E HA -0.064 4.289 4.350 0.005 0.000 0.191 270 E C 1.990 178.566 176.600 -0.040 0.000 0.985 270 E CA 1.423 57.806 56.400 -0.029 0.000 0.801 270 E CB -0.791 nan 29.700 nan 0.000 0.750 270 E HN 0.452 nan 8.360 nan 0.000 0.452 271 A N 0.673 123.478 122.820 -0.026 0.000 1.940 271 A HA -0.220 4.103 4.320 0.005 0.000 0.219 271 A C 2.220 179.792 177.584 -0.021 0.000 1.176 271 A CA 2.055 54.078 52.037 -0.024 0.000 0.631 271 A CB -0.369 18.636 19.000 0.008 0.000 0.814 271 A HN 0.617 nan 8.150 nan 0.000 0.446 272 E N -0.368 119.825 120.200 -0.012 0.000 2.046 272 E HA -0.099 4.254 4.350 0.005 0.000 0.190 272 E C 1.842 178.431 176.600 -0.017 0.000 0.982 272 E CA 1.234 57.629 56.400 -0.009 0.000 0.800 272 E CB -0.091 29.608 29.700 -0.003 0.000 0.756 272 E HN 0.289 nan 8.360 nan 0.000 0.449 273 V N 1.319 121.220 119.914 -0.022 0.000 2.490 273 V HA -0.253 3.869 4.120 0.005 0.000 0.250 273 V C 2.389 178.461 176.094 -0.037 0.000 1.061 273 V CA 1.776 64.062 62.300 -0.023 0.000 1.064 273 V CB -0.609 31.201 31.823 -0.022 0.000 0.670 273 V HN 0.432 nan 8.190 nan 0.000 0.461 274 A N 0.480 123.264 122.820 -0.059 0.000 1.929 274 A HA -0.143 4.180 4.320 0.005 0.000 0.216 274 A C 2.469 180.008 177.584 -0.075 0.000 1.176 274 A CA 1.793 53.775 52.037 -0.091 0.000 0.628 274 A CB -0.554 18.359 19.000 -0.145 0.000 0.816 274 A HN 0.671 nan 8.150 nan 0.000 0.444 275 S N -0.063 115.608 115.700 -0.048 0.000 2.522 275 S HA -0.136 4.337 4.470 0.005 0.000 0.227 275 S C 1.728 176.318 174.600 -0.017 0.000 0.986 275 S CA 0.965 59.148 58.200 -0.028 0.000 0.929 275 S CB -0.301 62.893 63.200 -0.010 0.000 0.769 275 S HN 0.824 nan 8.310 nan 0.000 0.529 276 Q N -0.254 119.535 119.800 -0.017 0.000 2.378 276 Q HA 0.344 4.686 4.340 0.005 0.000 0.229 276 Q C 1.828 177.823 176.000 -0.007 0.000 0.882 276 Q CA 0.406 56.205 55.803 -0.007 0.000 0.936 276 Q CB -0.384 28.352 28.738 -0.003 0.000 1.092 276 Q HN 0.351 nan 8.270 nan 0.000 0.535 277 V N 1.264 121.167 119.914 -0.018 0.000 2.759 277 V HA -0.119 4.003 4.120 0.005 0.000 0.256 277 V C 1.913 177.989 176.094 -0.031 0.000 1.080 277 V CA 1.074 63.364 62.300 -0.017 0.000 1.101 277 V CB 0.114 31.923 31.823 -0.023 0.000 0.698 277 V HN 0.305 nan 8.190 nan 0.000 0.477 278 V N -0.170 119.724 119.914 -0.033 0.000 3.141 278 V HA -0.089 4.034 4.120 0.005 0.000 0.265 278 V C 2.114 178.210 176.094 0.003 0.000 1.126 278 V CA 1.542 63.826 62.300 -0.026 0.000 1.141 278 V CB -0.679 31.129 31.823 -0.025 0.000 0.743 278 V HN 0.559 nan 8.190 nan 0.000 0.492 279 K N -0.256 120.148 120.400 0.008 0.000 2.393 279 K HA 0.256 4.579 4.320 0.005 0.000 0.193 279 K C 0.446 177.064 176.600 0.031 0.000 1.026 279 K CA -0.073 56.227 56.287 0.021 0.000 1.064 279 K CB 0.219 32.730 32.500 0.017 0.000 0.833 279 K HN 0.354 nan 8.250 nan 0.000 0.521 280 L N 1.799 123.038 121.223 0.027 0.000 2.483 280 L HA -0.057 4.286 4.340 0.005 0.000 0.276 280 L C 0.910 177.820 176.870 0.066 0.000 1.213 280 L CA -0.108 54.756 54.840 0.041 0.000 0.843 280 L CB 0.403 42.484 42.059 0.037 0.000 1.107 280 L HN 0.063 nan 8.230 nan 0.000 0.487 281 D N -0.284 120.169 120.400 0.088 0.000 2.277 281 D HA -0.096 4.547 4.640 0.005 0.000 0.208 281 D C 1.929 178.332 176.300 0.173 0.000 0.962 281 D CA 1.344 55.426 54.000 0.136 0.000 0.865 281 D CB 0.191 41.072 40.800 0.135 0.000 0.939 281 D HN 0.747 nan 8.370 nan 0.000 0.510 282 T N -2.620 112.016 114.554 0.136 0.000 3.054 282 T HA -0.072 4.280 4.350 0.005 0.000 0.259 282 T C 1.970 176.721 174.700 0.086 0.000 1.092 282 T CA 1.334 63.529 62.100 0.158 0.000 1.121 282 T CB -0.281 68.673 68.868 0.144 0.000 0.912 282 T HN 0.123 nan 8.240 nan 0.000 0.489 283 T N 0.192 114.758 114.554 0.020 0.000 2.978 283 T HA 0.148 4.501 4.350 0.005 0.000 0.262 283 T C 1.887 176.589 174.700 0.002 0.000 1.063 283 T CA 0.333 62.395 62.100 -0.064 0.000 1.140 283 T CB -0.330 68.462 68.868 -0.126 0.000 0.886 283 T HN 0.364 nan 8.240 nan 0.000 0.470 284 K N 0.976 121.416 120.400 0.066 0.000 2.097 284 K HA 0.083 4.406 4.320 0.005 0.000 0.205 284 K C 2.607 179.223 176.600 0.026 0.000 1.050 284 K CA 1.168 57.528 56.287 0.121 0.000 0.938 284 K CB -0.544 32.087 32.500 0.219 0.000 0.718 284 K HN 0.497 nan 8.250 nan 0.000 0.442 285 G N 1.339 110.119 108.800 -0.033 0.000 2.402 285 G HA2 -0.202 3.761 3.960 0.005 0.000 0.216 285 G HA3 -0.202 3.761 3.960 0.005 0.000 0.216 285 G C 1.467 176.269 174.900 -0.164 0.000 1.162 285 G CA 0.432 45.346 45.100 -0.309 0.000 0.777 285 G HN 0.081 nan 8.290 nan 0.000 0.539 286 L N 0.014 121.219 121.223 -0.030 0.000 2.093 286 L HA 0.065 4.407 4.340 0.005 0.000 0.208 286 L C 2.803 179.698 176.870 0.042 0.000 1.085 286 L CA 0.486 55.328 54.840 0.003 0.000 0.755 286 L CB -0.253 41.797 42.059 -0.016 0.000 0.904 286 L HN 0.198 nan 8.230 nan 0.000 0.435 287 I N -1.037 119.572 120.570 0.066 0.000 2.252 287 I HA -0.316 3.856 4.170 0.005 0.000 0.245 287 I C 2.673 179.009 176.117 0.364 0.000 1.102 287 I CA 1.082 62.500 61.300 0.196 0.000 1.385 287 I CB -0.493 37.633 38.000 0.211 0.000 1.064 287 I HN 0.371 nan 8.210 nan 0.000 0.414 288 H N 0.862 119.984 119.070 0.086 0.000 2.387 288 H HA -0.114 4.445 4.556 0.005 0.000 0.299 288 H C 2.202 177.562 175.328 0.053 0.000 1.090 288 H CA 1.744 57.819 56.048 0.044 0.000 1.332 288 H CB 0.201 29.763 29.762 -0.333 0.000 1.386 288 H HN 0.127 nan 8.280 nan 0.000 0.516 289 V N 1.192 121.122 119.914 0.026 0.000 2.515 289 V HA -0.216 3.907 4.120 0.005 0.000 0.250 289 V C 2.425 178.515 176.094 -0.007 0.000 1.058 289 V CA 1.624 63.917 62.300 -0.011 0.000 1.064 289 V CB -1.029 30.802 31.823 0.013 0.000 0.675 289 V HN 0.320 nan 8.190 nan 0.000 0.461 290 F N 0.871 120.761 119.950 -0.099 0.000 2.075 290 F HA -0.179 4.351 4.527 0.005 0.000 0.297 290 F C 2.012 177.664 175.800 -0.247 0.000 1.113 290 F CA 1.761 59.641 58.000 -0.199 0.000 1.218 290 F CB -0.499 38.320 39.000 -0.302 0.000 0.984 290 F HN 0.147 nan 8.300 nan 0.000 0.472 291 F N 0.333 120.139 119.950 -0.240 0.000 2.146 291 F HA -0.123 4.407 4.527 0.005 0.000 0.298 291 F C 2.727 178.336 175.800 -0.319 0.000 1.096 291 F CA 1.552 59.348 58.000 -0.340 0.000 1.275 291 F CB -1.235 37.694 39.000 -0.118 0.000 1.008 291 F HN -0.121 nan 8.300 nan 0.000 0.480 292 S N -0.338 115.273 115.700 -0.149 0.000 2.400 292 S HA -0.292 4.180 4.470 0.005 0.000 0.232 292 S C 1.962 176.475 174.600 -0.145 0.000 1.025 292 S CA 1.434 59.518 58.200 -0.192 0.000 0.993 292 S CB -0.455 62.560 63.200 -0.308 0.000 0.808 292 S HN 0.391 nan 8.310 nan 0.000 0.478 293 Q N 1.813 121.509 119.800 -0.173 0.000 2.135 293 Q HA -0.086 4.256 4.340 0.005 0.000 0.204 293 Q C 1.949 177.848 176.000 -0.167 0.000 0.981 293 Q CA 1.674 57.383 55.803 -0.157 0.000 0.856 293 Q CB -0.266 28.366 28.738 -0.177 0.000 0.902 293 Q HN 0.445 nan 8.270 nan 0.000 0.425 294 R N -1.082 119.277 120.500 -0.235 0.000 2.090 294 R HA 0.058 4.401 4.340 0.005 0.000 0.228 294 R C 2.071 178.310 176.300 -0.102 0.000 1.110 294 R CA 1.027 57.010 56.100 -0.195 0.000 0.973 294 R CB -0.328 29.809 30.300 -0.272 0.000 0.869 294 R HN 0.415 nan 8.270 nan 0.000 0.440 295 G N 0.314 109.066 108.800 -0.079 0.000 3.026 295 G HA2 -0.128 3.835 3.960 0.005 0.000 0.208 295 G HA3 -0.128 3.835 3.960 0.005 0.000 0.208 295 G C 1.252 176.135 174.900 -0.028 0.000 1.169 295 G CA 0.567 45.644 45.100 -0.039 0.000 0.788 295 G HN 0.371 nan 8.290 nan 0.000 0.533 296 T N -2.396 112.136 114.554 -0.037 0.000 3.035 296 T HA 0.231 4.584 4.350 0.005 0.000 0.268 296 T C 2.202 176.895 174.700 -0.012 0.000 1.109 296 T CA 1.169 63.257 62.100 -0.021 0.000 1.119 296 T CB 0.087 68.941 68.868 -0.024 0.000 0.900 296 T HN 0.194 nan 8.240 nan 0.000 0.503 297 A N 0.688 123.499 122.820 -0.016 0.000 2.251 297 A HA 0.327 4.650 4.320 0.005 0.000 0.209 297 A C 1.196 178.779 177.584 -0.003 0.000 1.187 297 A CA -0.160 51.871 52.037 -0.009 0.000 0.823 297 A CB -0.293 18.700 19.000 -0.011 0.000 0.846 297 A HN 0.515 nan 8.150 nan 0.000 0.486 298 K N 1.082 121.481 120.400 -0.001 0.000 2.257 298 K HA 0.439 4.762 4.320 0.005 0.000 0.270 298 K C -1.481 175.126 176.600 0.011 0.000 1.098 298 K CA -0.119 56.171 56.287 0.005 0.000 0.943 298 K CB 0.426 32.930 32.500 0.007 0.000 1.316 298 K HN 0.006 nan 8.250 nan 0.000 0.447 299 V N 6.854 126.775 119.914 0.011 0.000 2.304 299 V HA 0.280 4.403 4.120 0.005 0.000 0.278 299 V C -2.236 173.865 176.094 0.012 0.000 1.018 299 V CA -2.291 60.017 62.300 0.013 0.000 0.814 299 V CB 0.955 32.784 31.823 0.009 0.000 1.021 299 V HN 0.763 nan 8.190 nan 0.000 0.440 300 P HA 0.186 nan 4.420 nan 0.000 0.266 300 P C 1.094 178.398 177.300 0.007 0.000 1.195 300 P CA 1.287 64.394 63.100 0.011 0.000 0.768 300 P CB 0.656 32.364 31.700 0.014 0.000 0.838 301 G N 0.895 109.698 108.800 0.005 0.000 2.162 301 G HA2 -0.256 3.707 3.960 0.005 0.000 0.260 301 G HA3 -0.256 3.707 3.960 0.005 0.000 0.260 301 G C 0.554 175.456 174.900 0.003 0.000 0.976 301 G CA 0.294 45.396 45.100 0.002 0.000 0.655 301 G HN 0.457 nan 8.290 nan 0.000 0.533 302 V N -0.578 119.339 119.914 0.005 0.000 3.177 302 V HA 0.171 4.293 4.120 0.005 0.000 0.220 302 V C 2.177 178.275 176.094 0.008 0.000 1.395 302 V CA 2.205 64.508 62.300 0.006 0.000 1.317 302 V CB 0.582 32.408 31.823 0.005 0.000 1.148 302 V HN 0.799 nan 8.190 nan 0.000 0.499 303 T N -1.758 112.801 114.554 0.008 0.000 3.105 303 T HA 0.060 4.412 4.350 0.005 0.000 0.253 303 T C 0.654 175.359 174.700 0.009 0.000 1.047 303 T CA 0.614 62.719 62.100 0.009 0.000 0.944 303 T CB -0.091 68.782 68.868 0.008 0.000 1.016 303 T HN 0.526 nan 8.240 nan 0.000 0.544 304 D N 0.441 120.846 120.400 0.008 0.000 2.402 304 D HA 0.141 4.784 4.640 0.005 0.000 0.216 304 D C 1.579 177.883 176.300 0.008 0.000 1.128 304 D CA -0.445 53.559 54.000 0.008 0.000 0.833 304 D CB -0.171 40.634 40.800 0.008 0.000 0.971 304 D HN 0.270 nan 8.370 nan 0.000 0.503 305 R N 0.029 120.533 120.500 0.008 0.000 2.280 305 R HA 0.269 4.612 4.340 0.005 0.000 0.195 305 R C 1.032 177.337 176.300 0.008 0.000 0.935 305 R CA 0.645 56.749 56.100 0.008 0.000 1.033 305 R CB 0.315 30.620 30.300 0.008 0.000 0.964 305 R HN 0.295 nan 8.270 nan 0.000 0.489 306 G N 0.960 109.765 108.800 0.008 0.000 2.144 306 G HA2 -0.219 3.744 3.960 0.005 0.000 0.218 306 G HA3 -0.219 3.744 3.960 0.005 0.000 0.218 306 G C 0.126 175.031 174.900 0.009 0.000 0.988 306 G CA -0.376 44.728 45.100 0.008 0.000 0.659 306 G HN 0.085 nan 8.290 nan 0.000 0.522 307 L N -0.284 120.945 121.223 0.010 0.000 2.472 307 L HA 0.661 5.004 4.340 0.005 0.000 0.260 307 L C 0.668 177.546 176.870 0.013 0.000 1.209 307 L CA -0.656 54.191 54.840 0.012 0.000 0.817 307 L CB 1.073 43.141 42.059 0.014 0.000 1.106 307 L HN -0.035 nan 8.230 nan 0.000 0.479 308 V N 0.485 120.408 119.914 0.014 0.000 2.760 308 V HA 0.327 4.449 4.120 0.005 0.000 0.309 308 V C -2.319 173.787 176.094 0.020 0.000 1.077 308 V CA -1.542 60.767 62.300 0.015 0.000 0.910 308 V CB 2.220 34.050 31.823 0.012 0.000 1.008 308 V HN 0.613 nan 8.190 nan 0.000 0.424 309 P HA 0.239 nan 4.420 nan 0.000 0.268 309 P C -0.360 176.960 177.300 0.034 0.000 1.204 309 P CA -0.046 63.074 63.100 0.032 0.000 0.768 309 P CB 0.420 32.142 31.700 0.037 0.000 0.842 310 R N 1.864 122.389 120.500 0.041 0.000 2.615 310 R HA 0.250 4.593 4.340 0.005 0.000 0.270 310 R C 0.382 176.715 176.300 0.056 0.000 1.081 310 R CA -0.560 55.565 56.100 0.042 0.000 1.154 310 R CB 0.349 30.679 30.300 0.049 0.000 1.063 310 R HN 0.246 nan 8.270 nan 0.000 0.519 311 K N 2.623 123.053 120.400 0.049 0.000 2.284 311 K HA 0.182 4.505 4.320 0.005 0.000 0.287 311 K C -0.677 175.978 176.600 0.092 0.000 1.081 311 K CA 0.110 56.436 56.287 0.065 0.000 0.910 311 K CB 0.251 32.774 32.500 0.039 0.000 1.088 311 K HN 0.414 nan 8.250 nan 0.000 0.478 312 I N 6.069 126.725 120.570 0.142 0.000 2.301 312 I HA 0.107 4.280 4.170 0.005 0.000 0.292 312 I C 0.907 177.151 176.117 0.211 0.000 1.046 312 I CA -0.113 61.285 61.300 0.164 0.000 1.282 312 I CB 1.001 39.087 38.000 0.142 0.000 1.409 312 I HN 0.638 nan 8.210 nan 0.000 0.484 313 K N 4.849 125.334 120.400 0.141 0.000 2.354 313 K HA 0.197 4.520 4.320 0.005 0.000 0.194 313 K C 0.299 176.965 176.600 0.110 0.000 1.038 313 K CA 0.199 56.554 56.287 0.113 0.000 1.052 313 K CB 0.643 33.182 32.500 0.064 0.000 0.861 313 K HN 0.399 nan 8.250 nan 0.000 0.535 314 K N 1.134 121.591 120.400 0.095 0.000 2.561 314 K HA 0.257 4.580 4.320 0.005 0.000 0.254 314 K C -1.794 174.796 176.600 -0.017 0.000 0.942 314 K CA -0.462 55.849 56.287 0.040 0.000 0.818 314 K CB 2.097 34.599 32.500 0.003 0.000 1.306 314 K HN -0.228 nan 8.250 nan 0.000 0.435 315 V N 2.073 121.956 119.914 -0.052 0.000 2.680 315 V HA 0.771 4.894 4.120 0.005 0.000 0.309 315 V C -0.514 175.475 176.094 -0.174 0.000 1.052 315 V CA -0.945 61.285 62.300 -0.118 0.000 0.908 315 V CB 1.592 33.328 31.823 -0.146 0.000 1.001 315 V HN 0.890 nan 8.190 nan 0.000 0.431 316 A N 5.091 127.774 122.820 -0.229 0.000 2.330 316 A HA 0.888 5.211 4.320 0.005 0.000 0.327 316 A C -0.839 176.661 177.584 -0.139 0.000 1.155 316 A CA -0.494 51.358 52.037 -0.307 0.000 0.803 316 A CB 0.813 19.397 19.000 -0.695 0.000 1.208 316 A HN 0.613 nan 8.150 nan 0.000 0.477 317 I N 3.682 124.199 120.570 -0.088 0.000 2.437 317 I HA 0.230 4.403 4.170 0.005 0.000 0.279 317 I C -0.912 175.223 176.117 0.031 0.000 1.028 317 I CA -0.468 60.814 61.300 -0.029 0.000 1.142 317 I CB 0.871 38.836 38.000 -0.058 0.000 1.266 317 I HN 0.416 nan 8.210 nan 0.000 0.461 318 I N 6.158 126.778 120.570 0.084 0.000 2.278 318 I HA 0.470 4.642 4.170 0.005 0.000 0.296 318 I C 1.047 177.201 176.117 0.061 0.000 1.121 318 I CA 0.596 61.958 61.300 0.103 0.000 1.267 318 I CB 0.521 38.613 38.000 0.153 0.000 1.447 318 I HN 0.789 nan 8.210 nan 0.000 0.509 319 G N 2.446 111.267 108.800 0.036 0.000 4.103 319 G HA2 0.395 4.358 3.960 0.005 0.000 0.123 319 G HA3 0.395 4.358 3.960 0.005 0.000 0.123 319 G C 0.880 175.797 174.900 0.028 0.000 1.189 319 G CA 0.542 45.659 45.100 0.028 0.000 1.111 319 G HN 0.828 nan 8.290 nan 0.000 0.399 320 G N 0.117 108.931 108.800 0.023 0.000 2.267 320 G HA2 0.053 4.016 3.960 0.005 0.000 0.257 320 G HA3 0.053 4.016 3.960 0.005 0.000 0.257 320 G C 1.343 176.272 174.900 0.048 0.000 0.998 320 G CA 1.355 46.476 45.100 0.035 0.000 0.620 320 G HN 1.826 nan 8.290 nan 0.000 0.529 321 G N -0.408 108.423 108.800 0.052 0.000 2.447 321 G HA2 0.431 4.394 3.960 0.005 0.000 0.269 321 G HA3 0.431 4.394 3.960 0.005 0.000 0.269 321 G C 1.356 176.279 174.900 0.039 0.000 1.455 321 G CA 0.368 45.505 45.100 0.060 0.000 1.061 321 G HN 0.987 nan 8.290 nan 0.000 0.545 322 L N -1.514 119.735 121.223 0.043 0.000 2.044 322 L HA 0.071 4.414 4.340 0.005 0.000 0.205 322 L C 2.765 179.653 176.870 0.030 0.000 1.075 322 L CA 1.490 56.354 54.840 0.040 0.000 0.747 322 L CB -0.131 41.958 42.059 0.051 0.000 0.903 322 L HN 0.478 nan 8.230 nan 0.000 0.435 323 M N -0.071 119.544 119.600 0.026 0.000 2.200 323 M HA 0.013 4.496 4.480 0.005 0.000 0.265 323 M C 1.963 178.241 176.300 -0.037 0.000 1.066 323 M CA 1.785 57.088 55.300 0.006 0.000 1.127 323 M CB -0.921 31.689 32.600 0.016 0.000 1.379 323 M HN 0.270 nan 8.290 nan 0.000 0.420 324 G N -1.047 107.739 108.800 -0.023 0.000 2.433 324 G HA2 -0.235 3.728 3.960 0.005 0.000 0.216 324 G HA3 -0.235 3.728 3.960 0.005 0.000 0.216 324 G C 1.550 176.410 174.900 -0.067 0.000 1.186 324 G CA 1.367 46.440 45.100 -0.044 0.000 0.779 324 G HN 0.594 nan 8.290 nan 0.000 0.543 325 S N 0.772 116.447 115.700 -0.042 0.000 2.419 325 S HA 0.015 4.488 4.470 0.005 0.000 0.235 325 S C 2.399 176.942 174.600 -0.095 0.000 1.019 325 S CA 1.601 59.766 58.200 -0.057 0.000 0.982 325 S CB -0.742 62.437 63.200 -0.037 0.000 0.789 325 S HN 0.483 nan 8.310 nan 0.000 0.490 326 G N 2.545 111.303 108.800 -0.071 0.000 2.404 326 G HA2 -0.043 3.919 3.960 0.005 0.000 0.215 326 G HA3 -0.043 3.919 3.960 0.005 0.000 0.215 326 G C 1.401 176.224 174.900 -0.129 0.000 1.174 326 G CA 0.963 46.037 45.100 -0.042 0.000 0.780 326 G HN 0.478 nan 8.290 nan 0.000 0.537 327 I N 2.221 122.642 120.570 -0.248 0.000 2.091 327 I HA -0.213 3.960 4.170 0.005 0.000 0.239 327 I C 3.335 179.314 176.117 -0.229 0.000 1.061 327 I CA 1.440 62.493 61.300 -0.413 0.000 1.317 327 I CB -1.639 36.069 38.000 -0.487 0.000 1.031 327 I HN 0.263 nan 8.210 nan 0.000 0.401 328 A N 0.654 123.378 122.820 -0.159 0.000 1.927 328 A HA -0.265 4.058 4.320 0.005 0.000 0.220 328 A C 2.467 180.008 177.584 -0.072 0.000 1.185 328 A CA 2.853 54.830 52.037 -0.099 0.000 0.639 328 A CB -1.288 17.666 19.000 -0.078 0.000 0.820 328 A HN 0.488 nan 8.150 nan 0.000 0.451 329 T N 0.140 114.632 114.554 -0.103 0.000 2.652 329 T HA -0.073 4.280 4.350 0.005 0.000 0.267 329 T C 2.241 176.937 174.700 -0.006 0.000 1.039 329 T CA 1.919 63.960 62.100 -0.099 0.000 1.153 329 T CB -0.558 68.134 68.868 -0.294 0.000 0.863 329 T HN 0.668 nan 8.240 nan 0.000 0.428 330 A N 0.851 123.678 122.820 0.011 0.000 1.940 330 A HA -0.018 4.305 4.320 0.005 0.000 0.219 330 A C 2.315 179.962 177.584 0.106 0.000 1.176 330 A CA 1.289 53.378 52.037 0.087 0.000 0.631 330 A CB -0.806 18.245 19.000 0.086 0.000 0.814 330 A HN 0.475 nan 8.150 nan 0.000 0.446 331 L N -0.198 121.061 121.223 0.060 0.000 2.023 331 L HA -0.132 4.211 4.340 0.005 0.000 0.205 331 L C 2.627 179.633 176.870 0.226 0.000 1.073 331 L CA 1.625 56.547 54.840 0.136 0.000 0.745 331 L CB -0.599 41.458 42.059 -0.005 0.000 0.900 331 L HN 0.643 nan 8.230 nan 0.000 0.435 332 I N -2.430 118.210 120.570 0.117 0.000 2.454 332 I HA -0.250 3.923 4.170 0.005 0.000 0.254 332 I C 2.212 178.371 176.117 0.070 0.000 1.156 332 I CA 1.327 62.680 61.300 0.089 0.000 1.433 332 I CB -0.488 37.540 38.000 0.046 0.000 1.082 332 I HN 0.179 nan 8.210 nan 0.000 0.432 333 L N 0.858 122.135 121.223 0.089 0.000 2.353 333 L HA -0.065 4.277 4.340 0.005 0.000 0.220 333 L C 1.196 178.102 176.870 0.059 0.000 1.133 333 L CA 0.793 55.683 54.840 0.083 0.000 0.798 333 L CB -0.285 41.852 42.059 0.130 0.000 0.922 333 L HN 0.283 nan 8.230 nan 0.000 0.445 334 S N 0.581 116.333 115.700 0.088 0.000 2.525 334 S HA 0.109 4.582 4.470 0.005 0.000 0.242 334 S C 0.142 174.663 174.600 -0.132 0.000 1.164 334 S CA -0.538 57.680 58.200 0.030 0.000 1.154 334 S CB -0.212 63.078 63.200 0.151 0.000 0.875 334 S HN 0.545 nan 8.310 nan 0.000 0.482 335 N N 1.098 119.741 118.700 -0.095 0.000 2.699 335 N HA -0.272 4.470 4.740 0.005 0.000 0.256 335 N C -1.240 174.135 175.510 -0.226 0.000 0.993 335 N CA 0.867 53.833 53.050 -0.141 0.000 0.759 335 N CB -2.039 36.353 38.487 -0.159 0.000 0.906 335 N HN 0.551 nan 8.380 nan 0.000 0.541 336 Y N -0.288 120.006 120.300 -0.009 0.000 2.334 336 Y HA 0.392 4.945 4.550 0.004 0.000 0.336 336 Y C -1.920 173.967 175.900 -0.022 0.000 0.960 336 Y CA -2.365 55.728 58.100 -0.011 0.000 1.164 336 Y CB 1.818 40.275 38.460 -0.004 0.000 1.155 336 Y HN 0.031 nan 8.280 nan 0.000 0.478 337 P HA 0.005 nan 4.420 nan 0.000 0.264 337 P C -0.856 176.465 177.300 0.036 0.000 1.229 337 P CA 0.343 63.476 63.100 0.055 0.000 0.780 337 P CB 0.461 32.181 31.700 0.032 0.000 0.808 338 V N 6.019 125.939 119.914 0.009 0.000 2.628 338 V HA 0.482 4.604 4.120 0.005 0.000 0.306 338 V C 0.181 176.240 176.094 -0.058 0.000 1.045 338 V CA -0.746 61.535 62.300 -0.032 0.000 0.905 338 V CB 2.204 34.012 31.823 -0.025 0.000 0.997 338 V HN 0.436 nan 8.190 nan 0.000 0.436 339 I N 5.046 125.553 120.570 -0.105 0.000 2.447 339 I HA 0.514 4.686 4.170 0.005 0.000 0.287 339 I C -1.591 174.468 176.117 -0.097 0.000 1.023 339 I CA -0.720 60.514 61.300 -0.109 0.000 1.083 339 I CB 1.490 39.392 38.000 -0.164 0.000 1.245 339 I HN 0.437 nan 8.210 nan 0.000 0.434 340 L N 8.043 129.239 121.223 -0.044 0.000 2.292 340 L HA 0.454 4.796 4.340 0.005 0.000 0.284 340 L C -0.095 176.786 176.870 0.017 0.000 1.065 340 L CA 0.119 54.951 54.840 -0.013 0.000 0.806 340 L CB 1.157 43.209 42.059 -0.011 0.000 1.175 340 L HN 0.519 nan 8.230 nan 0.000 0.431 341 K N 3.386 123.816 120.400 0.050 0.000 2.244 341 K HA 0.502 4.825 4.320 0.005 0.000 0.260 341 K C -0.897 175.681 176.600 -0.036 0.000 0.951 341 K CA -0.531 55.761 56.287 0.009 0.000 0.826 341 K CB 1.351 33.862 32.500 0.018 0.000 1.108 341 K HN 0.505 nan 8.250 nan 0.000 0.433 342 E N 2.173 122.336 120.200 -0.062 0.000 2.431 342 E HA 0.193 4.546 4.350 0.005 0.000 0.268 342 E C 0.583 177.124 176.600 -0.099 0.000 0.953 342 E CA -0.640 55.728 56.400 -0.053 0.000 0.810 342 E CB 1.965 31.682 29.700 0.028 0.000 1.369 342 E HN 0.338 nan 8.360 nan 0.000 0.440 343 V N 0.658 120.500 119.914 -0.120 0.000 2.278 343 V HA -0.032 4.091 4.120 0.005 0.000 0.238 343 V C 0.599 176.665 176.094 -0.046 0.000 1.039 343 V CA 1.019 63.237 62.300 -0.137 0.000 1.017 343 V CB -0.268 31.409 31.823 -0.242 0.000 0.657 343 V HN 0.435 nan 8.190 nan 0.000 0.462 344 N N -0.064 118.669 118.700 0.054 0.000 2.482 344 N HA 0.189 4.932 4.740 0.005 0.000 0.279 344 N C 0.937 176.559 175.510 0.186 0.000 1.182 344 N CA -0.282 52.877 53.050 0.182 0.000 0.969 344 N CB 1.098 39.804 38.487 0.365 0.000 1.201 344 N HN 0.346 nan 8.380 nan 0.000 0.523 345 E N 0.852 121.116 120.200 0.106 0.000 2.153 345 E HA -0.219 4.134 4.350 0.005 0.000 0.194 345 E C 1.235 177.864 176.600 0.048 0.000 0.988 345 E CA 1.153 57.588 56.400 0.058 0.000 0.811 345 E CB 0.238 29.953 29.700 0.026 0.000 0.746 345 E HN 0.470 nan 8.360 nan 0.000 0.466 346 K N -0.189 120.233 120.400 0.036 0.000 2.001 346 K HA -0.142 4.180 4.320 0.005 0.000 0.208 346 K C 1.889 178.415 176.600 -0.123 0.000 1.048 346 K CA 1.518 57.743 56.287 -0.102 0.000 0.932 346 K CB -0.234 32.113 32.500 -0.255 0.000 0.715 346 K HN 0.076 nan 8.250 nan 0.000 0.437 347 F N 1.207 121.149 119.950 -0.013 0.000 2.171 347 F HA -0.185 4.343 4.527 0.002 0.000 0.300 347 F C 2.146 177.936 175.800 -0.016 0.000 1.090 347 F CA 0.652 58.645 58.000 -0.012 0.000 1.293 347 F CB -0.526 38.466 39.000 -0.012 0.000 1.013 347 F HN 0.120 nan 8.300 nan 0.000 0.486 348 L N 1.309 122.630 121.223 0.163 0.000 1.988 348 L HA -0.109 4.234 4.340 0.005 0.000 0.207 348 L C 2.473 179.364 176.870 0.035 0.000 1.071 348 L CA 2.630 57.515 54.840 0.076 0.000 0.744 348 L CB -1.595 40.493 42.059 0.048 0.000 0.893 348 L HN 0.201 nan 8.230 nan 0.000 0.433 349 E N -0.235 119.974 120.200 0.016 0.000 2.267 349 E HA -0.116 4.237 4.350 0.005 0.000 0.197 349 E C 2.103 178.695 176.600 -0.014 0.000 0.998 349 E CA 1.546 57.943 56.400 -0.005 0.000 0.830 349 E CB -1.162 28.528 29.700 -0.016 0.000 0.751 349 E HN 0.787 nan 8.360 nan 0.000 0.491 350 A N 0.659 123.469 122.820 -0.017 0.000 1.854 350 A HA 0.277 4.600 4.320 0.005 0.000 0.214 350 A C 2.879 180.462 177.584 -0.001 0.000 1.192 350 A CA 1.823 53.846 52.037 -0.024 0.000 0.611 350 A CB -0.960 18.010 19.000 -0.050 0.000 0.832 350 A HN 0.654 nan 8.150 nan 0.000 0.442 351 G N 0.274 109.087 108.800 0.021 0.000 2.446 351 G HA2 -0.219 3.744 3.960 0.005 0.000 0.217 351 G HA3 -0.219 3.744 3.960 0.005 0.000 0.217 351 G C 1.499 176.397 174.900 -0.004 0.000 1.168 351 G CA 1.182 46.292 45.100 0.016 0.000 0.771 351 G HN 0.474 nan 8.290 nan 0.000 0.551 352 I N 1.454 122.022 120.570 -0.003 0.000 2.335 352 I HA -0.140 4.033 4.170 0.005 0.000 0.251 352 I C 2.977 179.085 176.117 -0.016 0.000 1.129 352 I CA 0.927 62.221 61.300 -0.011 0.000 1.402 352 I CB -0.438 37.557 38.000 -0.007 0.000 1.069 352 I HN 0.264 nan 8.210 nan 0.000 0.424 353 G N 0.797 109.588 108.800 -0.015 0.000 2.402 353 G HA2 -0.181 3.781 3.960 0.005 0.000 0.216 353 G HA3 -0.181 3.781 3.960 0.005 0.000 0.216 353 G C 1.806 176.693 174.900 -0.022 0.000 1.162 353 G CA 0.235 45.324 45.100 -0.018 0.000 0.777 353 G HN 0.289 nan 8.290 nan 0.000 0.539 354 R N -0.078 120.409 120.500 -0.021 0.000 2.091 354 R HA -0.047 4.296 4.340 0.005 0.000 0.238 354 R C 2.643 178.911 176.300 -0.052 0.000 1.136 354 R CA 1.190 57.274 56.100 -0.026 0.000 0.959 354 R CB -0.617 29.674 30.300 -0.016 0.000 0.856 354 R HN 0.298 nan 8.270 nan 0.000 0.437 355 V N 1.639 121.519 119.914 -0.058 0.000 2.233 355 V HA -0.314 3.809 4.120 0.005 0.000 0.247 355 V C 2.912 178.965 176.094 -0.068 0.000 1.050 355 V CA 2.647 64.898 62.300 -0.081 0.000 1.010 355 V CB -0.990 30.799 31.823 -0.058 0.000 0.637 355 V HN 0.521 nan 8.190 nan 0.000 0.444 356 K N 0.182 120.559 120.400 -0.038 0.000 2.074 356 K HA -0.180 4.143 4.320 0.005 0.000 0.209 356 K C 2.235 178.809 176.600 -0.044 0.000 1.048 356 K CA 2.213 58.484 56.287 -0.026 0.000 0.926 356 K CB -1.392 31.100 32.500 -0.014 0.000 0.713 356 K HN 0.654 nan 8.250 nan 0.000 0.444 357 A N 1.731 124.525 122.820 -0.044 0.000 1.933 357 A HA -0.198 4.124 4.320 0.005 0.000 0.218 357 A C 2.167 179.716 177.584 -0.058 0.000 1.175 357 A CA 1.712 53.723 52.037 -0.043 0.000 0.628 357 A CB -0.388 18.596 19.000 -0.027 0.000 0.814 357 A HN 0.630 nan 8.150 nan 0.000 0.444 358 N N -0.334 118.317 118.700 -0.082 0.000 2.244 358 N HA -0.067 4.676 4.740 0.005 0.000 0.183 358 N C 1.349 176.783 175.510 -0.125 0.000 1.016 358 N CA 1.106 54.092 53.050 -0.106 0.000 0.866 358 N CB -0.341 37.958 38.487 -0.313 0.000 0.980 358 N HN 0.372 nan 8.380 nan 0.000 0.430 359 L N 1.121 122.260 121.223 -0.141 0.000 2.162 359 L HA 0.043 4.386 4.340 0.005 0.000 0.205 359 L C 2.226 178.865 176.870 -0.386 0.000 1.086 359 L CA 1.069 55.766 54.840 -0.240 0.000 0.778 359 L CB -0.526 41.520 42.059 -0.022 0.000 0.928 359 L HN 0.071 nan 8.230 nan 0.000 0.446 360 Q N -1.368 118.314 119.800 -0.197 0.000 2.226 360 Q HA -0.181 4.162 4.340 0.005 0.000 0.204 360 Q C 2.433 178.332 176.000 -0.168 0.000 0.975 360 Q CA 1.432 57.138 55.803 -0.163 0.000 0.866 360 Q CB -0.193 28.499 28.738 -0.078 0.000 0.915 360 Q HN 0.449 nan 8.270 nan 0.000 0.440 361 S N 1.263 116.876 115.700 -0.146 0.000 2.356 361 S HA -0.161 4.311 4.470 0.005 0.000 0.223 361 S C 1.694 176.214 174.600 -0.134 0.000 1.032 361 S CA 1.298 59.438 58.200 -0.100 0.000 1.005 361 S CB -0.041 63.132 63.200 -0.046 0.000 0.867 361 S HN 0.452 nan 8.310 nan 0.000 0.449 362 R N 0.456 120.822 120.500 -0.224 0.000 2.325 362 R HA 0.249 4.592 4.340 0.005 0.000 0.214 362 R C 1.215 177.326 176.300 -0.314 0.000 0.961 362 R CA 0.295 56.257 56.100 -0.231 0.000 1.086 362 R CB -0.237 29.938 30.300 -0.209 0.000 1.037 362 R HN 0.297 nan 8.270 nan 0.000 0.493 363 V N 0.157 119.883 119.914 -0.313 0.000 2.825 363 V HA 0.069 4.191 4.120 0.005 0.000 0.246 363 V C 1.775 177.830 176.094 -0.064 0.000 1.068 363 V CA 1.543 63.732 62.300 -0.186 0.000 1.088 363 V CB -0.393 31.335 31.823 -0.158 0.000 0.733 363 V HN 0.567 nan 8.190 nan 0.000 0.468 370 Q N 1.372 121.244 119.800 0.120 0.000 2.141 370 Q HA 0.333 4.676 4.340 0.005 0.000 0.194 370 Q C 1.630 177.676 176.000 0.077 0.000 0.975 370 Q CA 2.158 58.030 55.803 0.116 0.000 0.834 370 Q CB -0.515 28.264 28.738 0.069 0.000 0.916 370 Q HN 0.753 nan 8.270 nan 0.000 0.484 371 E N -0.263 119.954 120.200 0.028 0.000 2.333 371 E HA -0.222 4.130 4.350 0.005 0.000 0.198 371 E C 1.428 178.003 176.600 -0.041 0.000 1.007 371 E CA 0.883 57.282 56.400 -0.001 0.000 0.845 371 E CB 0.100 29.794 29.700 -0.010 0.000 0.766 371 E HN 0.144 nan 8.360 nan 0.000 0.507 372 K N 0.082 120.430 120.400 -0.085 0.000 1.980 372 K HA -0.098 4.225 4.320 0.005 0.000 0.208 372 K C 0.800 177.223 176.600 -0.294 0.000 1.043 372 K CA 1.322 57.455 56.287 -0.257 0.000 0.938 372 K CB -0.289 31.948 32.500 -0.439 0.000 0.724 372 K HN 0.055 nan 8.250 nan 0.000 0.438 373 F N 1.032 120.982 119.950 -0.000 0.000 2.811 373 F HA 0.166 4.695 4.527 0.004 0.000 0.292 373 F C 1.456 177.254 175.800 -0.005 0.000 1.240 373 F CA 0.196 58.195 58.000 -0.002 0.000 1.422 373 F CB 0.088 39.089 39.000 0.001 0.000 1.045 373 F HN 0.349 nan 8.300 nan 0.000 0.512 374 E N 0.147 120.395 120.200 0.081 0.000 2.489 374 E HA 0.035 4.387 4.350 0.005 0.000 0.208 374 E C 2.267 178.878 176.600 0.017 0.000 0.814 374 E CA 0.555 56.987 56.400 0.053 0.000 1.348 374 E CB 0.171 29.896 29.700 0.041 0.000 1.334 374 E HN 0.243 nan 8.360 nan 0.000 0.672 375 K N 0.617 121.009 120.400 -0.014 0.000 2.137 375 K HA -0.019 4.304 4.320 0.005 0.000 0.202 375 K C 2.000 178.584 176.600 -0.027 0.000 1.052 375 K CA 1.489 57.760 56.287 -0.027 0.000 0.961 375 K CB -1.373 31.098 32.500 -0.048 0.000 0.741 375 K HN 0.287 nan 8.250 nan 0.000 0.452 376 T N -1.160 113.372 114.554 -0.036 0.000 3.051 376 T HA -0.032 4.320 4.350 0.005 0.000 0.269 376 T C 1.812 176.520 174.700 0.015 0.000 1.127 376 T CA 0.986 63.074 62.100 -0.020 0.000 1.107 376 T CB -0.220 68.630 68.868 -0.030 0.000 0.898 376 T HN 0.202 nan 8.240 nan 0.000 0.517 377 M N 2.124 121.738 119.600 0.024 0.000 2.558 377 M HA 0.184 4.667 4.480 0.005 0.000 0.255 377 M C 2.449 178.755 176.300 0.009 0.000 1.113 377 M CA 0.817 56.132 55.300 0.024 0.000 1.097 377 M CB -0.698 31.922 32.600 0.033 0.000 1.426 377 M HN 0.615 nan 8.290 nan 0.000 0.488 378 S N -0.120 115.582 115.700 0.003 0.000 2.446 378 S HA 0.031 4.503 4.470 0.005 0.000 0.225 378 S C 1.870 176.468 174.600 -0.004 0.000 1.016 378 S CA 0.333 58.531 58.200 -0.002 0.000 0.943 378 S CB -0.533 62.663 63.200 -0.006 0.000 0.786 378 S HN 0.472 nan 8.310 nan 0.000 0.508 379 L N 0.388 121.610 121.223 -0.002 0.000 2.131 379 L HA 0.151 4.494 4.340 0.005 0.000 0.210 379 L C 0.983 177.853 176.870 0.000 0.000 1.092 379 L CA 0.375 55.215 54.840 0.001 0.000 0.759 379 L CB -0.482 41.581 42.059 0.007 0.000 0.903 379 L HN 0.343 nan 8.230 nan 0.000 0.435 380 L N 0.941 122.164 121.223 -0.001 0.000 2.315 380 L HA 0.171 4.513 4.340 0.005 0.000 0.283 380 L C -0.126 176.738 176.870 -0.011 0.000 1.089 380 L CA 0.504 55.339 54.840 -0.008 0.000 0.833 380 L CB 0.786 42.840 42.059 -0.007 0.000 1.170 380 L HN -0.268 nan 8.230 nan 0.000 0.442 381 K N 3.871 124.260 120.400 -0.019 0.000 2.376 381 K HA 0.819 5.142 4.320 0.005 0.000 0.257 381 K C 0.046 176.634 176.600 -0.019 0.000 0.939 381 K CA -0.131 56.145 56.287 -0.017 0.000 0.809 381 K CB 1.253 33.743 32.500 -0.018 0.000 1.121 381 K HN 0.995 nan 8.250 nan 0.000 0.425 382 G N 0.809 109.602 108.800 -0.012 0.000 2.562 382 G HA2 0.518 4.481 3.960 0.005 0.000 0.275 382 G HA3 0.518 4.481 3.960 0.005 0.000 0.275 382 G C -0.503 174.393 174.900 -0.006 0.000 1.196 382 G CA -0.130 44.965 45.100 -0.009 0.000 0.908 382 G HN 0.906 nan 8.290 nan 0.000 0.524 383 S N -1.065 114.632 115.700 -0.005 0.000 2.580 383 S HA 0.255 4.728 4.470 0.005 0.000 0.281 383 S C -0.399 174.176 174.600 -0.043 0.000 1.129 383 S CA -0.715 57.479 58.200 -0.010 0.000 0.862 383 S CB 0.663 63.877 63.200 0.024 0.000 1.090 383 S HN 0.521 nan 8.310 nan 0.000 0.451 384 L N 2.414 123.594 121.223 -0.072 0.000 2.965 384 L HA 0.504 4.846 4.340 0.005 0.000 0.254 384 L C -0.117 176.627 176.870 -0.210 0.000 1.220 384 L CA -0.074 54.692 54.840 -0.123 0.000 1.023 384 L CB 0.369 42.383 42.059 -0.076 0.000 1.355 384 L HN 0.550 nan 8.230 nan 0.000 0.545 385 D N -2.054 118.208 120.400 -0.230 0.000 2.566 385 D HA 0.237 4.880 4.640 0.005 0.000 0.254 385 D C -0.198 175.834 176.300 -0.447 0.000 1.090 385 D CA -0.414 53.404 54.000 -0.303 0.000 1.034 385 D CB 1.449 42.164 40.800 -0.141 0.000 1.434 385 D HN -0.130 nan 8.370 nan 0.000 0.509 386 Y N -0.025 120.000 120.300 -0.458 0.000 2.442 386 Y HA 0.189 4.740 4.550 0.002 0.000 0.250 386 Y C 1.662 177.387 175.900 -0.290 0.000 1.113 386 Y CA 0.019 57.664 58.100 -0.758 0.000 1.273 386 Y CB 0.528 38.145 38.460 -1.406 0.000 1.138 386 Y HN 0.347 nan 8.280 nan 0.000 0.522 387 E N 0.041 120.226 120.200 -0.024 0.000 2.401 387 E HA -0.115 4.238 4.350 0.005 0.000 0.199 387 E C 1.588 178.292 176.600 0.173 0.000 1.023 387 E CA 1.146 57.604 56.400 0.097 0.000 0.859 387 E CB -0.248 29.488 29.700 0.060 0.000 0.780 387 E HN 0.441 nan 8.360 nan 0.000 0.523 388 S N -0.703 115.144 115.700 0.245 0.000 2.634 388 S HA 0.098 4.571 4.470 0.005 0.000 0.221 388 S C 1.035 175.791 174.600 0.260 0.000 0.952 388 S CA -0.312 58.016 58.200 0.214 0.000 0.930 388 S CB -0.236 63.048 63.200 0.140 0.000 0.780 388 S HN 0.017 nan 8.310 nan 0.000 0.498 389 F N 1.764 121.749 119.950 0.058 0.000 2.695 389 F HA 0.399 4.929 4.527 0.005 0.000 0.303 389 F C 1.893 177.728 175.800 0.058 0.000 1.091 389 F CA -0.769 57.272 58.000 0.067 0.000 1.300 389 F CB 0.052 39.124 39.000 0.120 0.000 1.071 389 F HN 0.074 nan 8.300 nan 0.000 0.578 390 R N -0.034 120.605 120.500 0.231 0.000 2.357 390 R HA -0.093 4.249 4.340 0.005 0.000 0.202 390 R C 0.700 177.062 176.300 0.104 0.000 1.047 390 R CA 0.795 56.987 56.100 0.152 0.000 1.034 390 R CB -0.464 29.916 30.300 0.134 0.000 0.875 390 R HN 0.246 nan 8.270 nan 0.000 0.473 391 D N -0.926 119.521 120.400 0.078 0.000 2.520 391 D HA 0.044 4.686 4.640 0.005 0.000 0.223 391 D C -0.400 175.918 176.300 0.031 0.000 1.186 391 D CA 0.013 54.048 54.000 0.059 0.000 0.821 391 D CB 0.793 41.618 40.800 0.042 0.000 1.072 391 D HN -0.232 nan 8.370 nan 0.000 0.518 392 V N 1.786 121.687 119.914 -0.022 0.000 2.614 392 V HA 0.144 4.267 4.120 0.005 0.000 0.291 392 V C 0.930 176.986 176.094 -0.063 0.000 1.049 392 V CA 0.013 62.264 62.300 -0.082 0.000 1.038 392 V CB 1.549 33.246 31.823 -0.210 0.000 0.980 392 V HN 0.006 nan 8.190 nan 0.000 0.481 393 D N 2.548 122.938 120.400 -0.018 0.000 2.366 393 D HA 0.195 4.838 4.640 0.005 0.000 0.205 393 D C 0.315 176.595 176.300 -0.033 0.000 1.022 393 D CA 0.755 54.771 54.000 0.027 0.000 0.868 393 D CB 0.641 41.520 40.800 0.130 0.000 0.953 393 D HN 0.529 nan 8.370 nan 0.000 0.514 394 M N 0.649 120.212 119.600 -0.062 0.000 2.365 394 M HA 0.287 4.770 4.480 0.005 0.000 0.288 394 M C -2.315 173.934 176.300 -0.085 0.000 1.152 394 M CA -0.482 54.779 55.300 -0.064 0.000 0.948 394 M CB 2.267 34.837 32.600 -0.051 0.000 1.729 394 M HN -0.406 nan 8.290 nan 0.000 0.487 395 V N 5.545 125.419 119.914 -0.067 0.000 2.555 395 V HA 0.613 4.736 4.120 0.005 0.000 0.302 395 V C -0.570 175.511 176.094 -0.022 0.000 1.038 395 V CA -0.526 61.740 62.300 -0.056 0.000 0.887 395 V CB 2.068 33.869 31.823 -0.036 0.000 0.991 395 V HN 0.766 nan 8.190 nan 0.000 0.434 396 I N 3.841 124.411 120.570 0.000 0.000 2.410 396 I HA 0.393 4.566 4.170 0.005 0.000 0.286 396 I C -0.170 175.991 176.117 0.072 0.000 1.009 396 I CA -0.424 60.908 61.300 0.052 0.000 1.111 396 I CB 1.725 39.750 38.000 0.042 0.000 1.262 396 I HN 0.597 nan 8.210 nan 0.000 0.443 397 E N 6.645 126.926 120.200 0.134 0.000 2.200 397 E HA 0.474 4.827 4.350 0.005 0.000 0.283 397 E C -0.819 175.871 176.600 0.149 0.000 1.015 397 E CA -0.376 56.121 56.400 0.162 0.000 0.819 397 E CB 1.855 31.724 29.700 0.281 0.000 1.081 397 E HN 0.730 nan 8.360 nan 0.000 0.397 398 A N 5.548 128.428 122.820 0.101 0.000 3.105 398 A HA 0.353 4.676 4.320 0.005 0.000 0.297 398 A C -0.534 177.090 177.584 0.067 0.000 0.977 398 A CA -0.513 51.571 52.037 0.079 0.000 1.020 398 A CB 0.220 19.241 19.000 0.036 0.000 1.098 398 A HN 0.342 nan 8.150 nan 0.000 0.497 399 V N 1.308 121.270 119.914 0.080 0.000 2.973 399 V HA 0.348 4.470 4.120 0.005 0.000 0.314 399 V C 0.937 177.062 176.094 0.051 0.000 1.066 399 V CA -0.704 61.630 62.300 0.057 0.000 1.021 399 V CB 1.556 33.414 31.823 0.058 0.000 1.076 399 V HN 0.706 nan 8.190 nan 0.000 0.462 400 I N -0.144 120.447 120.570 0.034 0.000 3.110 400 I HA 0.016 4.189 4.170 0.005 0.000 0.305 400 I C 0.500 176.634 176.117 0.029 0.000 1.232 400 I CA 0.126 61.444 61.300 0.030 0.000 1.431 400 I CB 0.212 38.223 38.000 0.018 0.000 1.320 400 I HN 0.523 nan 8.210 nan 0.000 0.583 401 E N 3.997 124.211 120.200 0.024 0.000 2.323 401 E HA 0.047 4.399 4.350 0.005 0.000 0.313 401 E C -0.738 175.860 176.600 -0.003 0.000 1.236 401 E CA 0.244 56.651 56.400 0.012 0.000 1.333 401 E CB -0.871 28.831 29.700 0.003 0.000 1.138 401 E HN 0.506 nan 8.360 nan 0.000 0.492 402 N N 1.706 120.407 118.700 0.001 0.000 2.479 402 N HA 0.169 4.912 4.740 0.005 0.000 0.261 402 N C 0.802 176.305 175.510 -0.010 0.000 0.979 402 N CA -0.415 52.630 53.050 -0.007 0.000 0.930 402 N CB 0.662 39.147 38.487 -0.003 0.000 1.172 402 N HN 0.038 nan 8.380 nan 0.000 0.499 403 I N 1.221 121.776 120.570 -0.024 0.000 2.099 403 I HA -0.272 3.900 4.170 0.005 0.000 0.239 403 I C 2.200 178.303 176.117 -0.023 0.000 1.066 403 I CA 1.015 62.295 61.300 -0.034 0.000 1.324 403 I CB -0.432 37.541 38.000 -0.044 0.000 1.037 403 I HN 0.581 nan 8.210 nan 0.000 0.401 404 S N 1.130 116.819 115.700 -0.018 0.000 2.380 404 S HA -0.244 4.229 4.470 0.005 0.000 0.229 404 S C 2.011 176.613 174.600 0.002 0.000 1.043 404 S CA 1.986 60.179 58.200 -0.011 0.000 1.038 404 S CB -0.425 62.769 63.200 -0.011 0.000 0.872 404 S HN 0.370 nan 8.310 nan 0.000 0.456 405 L N 1.103 122.330 121.223 0.007 0.000 2.072 405 L HA 0.174 4.517 4.340 0.005 0.000 0.205 405 L C 2.182 179.083 176.870 0.051 0.000 1.079 405 L CA 1.857 56.710 54.840 0.023 0.000 0.752 405 L CB -0.849 41.218 42.059 0.014 0.000 0.906 405 L HN 0.187 nan 8.230 nan 0.000 0.436 406 K N -0.745 119.682 120.400 0.046 0.000 2.026 406 K HA -0.174 4.149 4.320 0.005 0.000 0.208 406 K C 2.128 178.782 176.600 0.090 0.000 1.048 406 K CA 1.769 58.104 56.287 0.081 0.000 0.929 406 K CB -0.193 32.314 32.500 0.010 0.000 0.713 406 K HN 0.458 nan 8.250 nan 0.000 0.439 407 Q N 0.319 120.128 119.800 0.016 0.000 2.152 407 Q HA -0.269 4.074 4.340 0.005 0.000 0.206 407 Q C 2.168 178.213 176.000 0.074 0.000 0.985 407 Q CA 1.634 57.445 55.803 0.013 0.000 0.863 407 Q CB -0.028 28.700 28.738 -0.016 0.000 0.904 407 Q HN 0.201 nan 8.270 nan 0.000 0.422 408 Q N 0.721 120.562 119.800 0.069 0.000 2.123 408 Q HA -0.067 4.275 4.340 0.005 0.000 0.199 408 Q C 1.700 177.752 176.000 0.087 0.000 0.966 408 Q CA 1.237 57.077 55.803 0.062 0.000 0.845 408 Q CB -0.061 28.704 28.738 0.045 0.000 0.907 408 Q HN 0.417 nan 8.270 nan 0.000 0.439 409 I N -0.469 120.188 120.570 0.145 0.000 2.286 409 I HA -0.231 3.942 4.170 0.005 0.000 0.248 409 I C 1.539 177.717 176.117 0.103 0.000 1.115 409 I CA 1.134 62.524 61.300 0.149 0.000 1.392 409 I CB -0.291 37.839 38.000 0.217 0.000 1.065 409 I HN 0.179 nan 8.210 nan 0.000 0.418 410 F N 0.694 120.637 119.950 -0.012 0.000 2.456 410 F HA -0.060 4.470 4.527 0.005 0.000 0.298 410 F C 2.541 178.308 175.800 -0.055 0.000 1.104 410 F CA 0.704 58.691 58.000 -0.022 0.000 1.435 410 F CB -0.216 38.778 39.000 -0.009 0.000 1.078 410 F HN -0.007 nan 8.300 nan 0.000 0.546 411 A N 0.118 122.994 122.820 0.093 0.000 1.873 411 A HA -0.176 4.147 4.320 0.005 0.000 0.215 411 A C 1.905 179.431 177.584 -0.096 0.000 1.186 411 A CA 1.984 54.019 52.037 -0.003 0.000 0.616 411 A CB -0.673 18.324 19.000 -0.004 0.000 0.823 411 A HN 0.206 nan 8.150 nan 0.000 0.442 412 D N 0.119 120.437 120.400 -0.136 0.000 2.117 412 D HA -0.092 4.550 4.640 0.005 0.000 0.198 412 D C 2.006 178.116 176.300 -0.316 0.000 0.982 412 D CA 0.846 54.690 54.000 -0.261 0.000 0.828 412 D CB -0.397 40.117 40.800 -0.476 0.000 0.967 412 D HN 0.422 nan 8.370 nan 0.000 0.464 413 L N 0.851 121.890 121.223 -0.306 0.000 1.971 413 L HA -0.207 4.136 4.340 0.005 0.000 0.215 413 L C 2.508 179.284 176.870 -0.157 0.000 1.072 413 L CA 1.474 56.168 54.840 -0.243 0.000 0.758 413 L CB -0.471 41.387 42.059 -0.336 0.000 0.889 413 L HN 0.076 nan 8.230 nan 0.000 0.433 414 E N 0.258 120.375 120.200 -0.138 0.000 2.209 414 E HA -0.288 4.065 4.350 0.005 0.000 0.196 414 E C 2.156 178.670 176.600 -0.142 0.000 0.993 414 E CA 1.344 57.683 56.400 -0.102 0.000 0.819 414 E CB 0.130 29.794 29.700 -0.060 0.000 0.745 414 E HN 0.345 nan 8.360 nan 0.000 0.477 415 K N -0.641 119.621 120.400 -0.229 0.000 2.044 415 K HA -0.105 4.218 4.320 0.005 0.000 0.204 415 K C 1.471 177.829 176.600 -0.404 0.000 1.045 415 K CA 1.070 57.127 56.287 -0.383 0.000 0.951 415 K CB -0.048 32.082 32.500 -0.618 0.000 0.738 415 K HN 0.147 nan 8.250 nan 0.000 0.443 416 Y N 0.215 120.402 120.300 -0.188 0.000 2.511 416 Y HA 0.124 4.676 4.550 0.003 0.000 0.279 416 Y C 0.921 176.813 175.900 -0.014 0.000 1.157 416 Y CA -0.590 57.441 58.100 -0.115 0.000 1.300 416 Y CB 0.090 38.433 38.460 -0.196 0.000 1.052 416 Y HN 0.005 nan 8.280 nan 0.000 0.529 417 C N 1.434 120.782 119.300 0.079 0.000 2.382 417 C HA 0.380 4.843 4.460 0.005 0.000 0.363 417 C C -1.769 173.218 174.990 -0.005 0.000 1.213 417 C CA -1.596 57.462 59.018 0.067 0.000 2.363 417 C CB 0.771 28.524 27.740 0.023 0.000 2.397 417 C HN 0.121 nan 8.230 nan 0.000 0.573 418 P HA 0.101 nan 4.420 nan 0.000 0.272 418 P C 0.213 177.448 177.300 -0.108 0.000 1.230 418 P CA 0.071 63.132 63.100 -0.065 0.000 0.788 418 P CB 0.422 32.035 31.700 -0.145 0.000 0.949 419 Q N 0.943 120.751 119.800 0.013 0.000 2.364 419 Q HA -0.155 4.187 4.340 0.005 0.000 0.207 419 Q C 1.566 177.588 176.000 0.037 0.000 0.970 419 Q CA 1.524 57.341 55.803 0.024 0.000 0.888 419 Q CB -0.671 28.101 28.738 0.058 0.000 0.951 419 Q HN 0.703 nan 8.270 nan 0.000 0.469 420 H N -2.361 116.718 119.070 0.015 0.000 2.592 420 H HA 0.141 4.700 4.556 0.005 0.000 0.265 420 H C 0.406 175.744 175.328 0.017 0.000 0.955 420 H CA -0.248 55.809 56.048 0.016 0.000 1.175 420 H CB -0.506 29.265 29.762 0.016 0.000 1.433 420 H HN 0.053 nan 8.280 nan 0.000 0.537 421 C N 2.798 121.797 119.300 -0.502 0.000 2.634 421 C HA 0.198 4.661 4.460 0.005 0.000 0.418 421 C C 1.054 175.972 174.990 -0.120 0.000 1.373 421 C CA -0.501 58.312 59.018 -0.343 0.000 1.756 421 C CB -1.371 26.189 27.740 -0.301 0.000 2.589 421 C HN 0.403 nan 8.230 nan 0.000 0.602 422 I N 6.535 127.068 120.570 -0.062 0.000 2.471 422 I HA 0.113 4.286 4.170 0.005 0.000 0.286 422 I C -0.118 175.985 176.117 -0.023 0.000 1.079 422 I CA -0.076 61.216 61.300 -0.013 0.000 1.398 422 I CB 0.674 38.680 38.000 0.010 0.000 1.403 422 I HN 0.431 nan 8.210 nan 0.000 0.530 423 L N 7.669 128.899 121.223 0.011 0.000 2.475 423 L HA 0.399 4.742 4.340 0.005 0.000 0.253 423 L C 0.556 177.528 176.870 0.171 0.000 1.137 423 L CA -0.051 54.782 54.840 -0.012 0.000 1.058 423 L CB -0.128 41.942 42.059 0.019 0.000 1.382 423 L HN 0.591 nan 8.230 nan 0.000 0.416 424 A N 0.858 123.747 122.820 0.116 0.000 2.304 424 A HA 0.777 5.100 4.320 0.005 0.000 0.301 424 A C 0.188 177.948 177.584 0.294 0.000 1.132 424 A CA -0.314 51.835 52.037 0.186 0.000 0.819 424 A CB 1.038 20.104 19.000 0.111 0.000 1.094 424 A HN 0.421 nan 8.150 nan 0.000 0.492 425 S N -0.024 115.852 115.700 0.294 0.000 2.526 425 S HA 0.371 4.844 4.470 0.005 0.000 0.293 425 S C 0.160 174.887 174.600 0.212 0.000 1.092 425 S CA -0.629 57.749 58.200 0.297 0.000 0.980 425 S CB 1.243 64.604 63.200 0.269 0.000 1.048 425 S HN 0.772 nan 8.310 nan 0.000 0.483 426 N N 2.666 121.495 118.700 0.215 0.000 2.314 426 N HA 0.085 4.828 4.740 0.005 0.000 0.200 426 N C 0.467 176.128 175.510 0.252 0.000 1.135 426 N CA 0.096 53.283 53.050 0.228 0.000 0.835 426 N CB 0.217 38.815 38.487 0.185 0.000 0.989 426 N HN 0.604 nan 8.380 nan 0.000 0.478 427 T N -1.632 113.057 114.554 0.226 0.000 2.908 427 T HA -0.022 4.331 4.350 0.005 0.000 0.325 427 T C 0.941 175.838 174.700 0.327 0.000 1.092 427 T CA 0.588 62.813 62.100 0.209 0.000 1.125 427 T CB 0.553 69.503 68.868 0.137 0.000 1.016 427 T HN 0.205 nan 8.240 nan 0.000 0.550 428 S N 0.406 116.225 115.700 0.199 0.000 2.663 428 S HA 0.138 4.611 4.470 0.005 0.000 0.247 428 S C 1.559 176.054 174.600 -0.174 0.000 1.074 428 S CA 0.547 58.820 58.200 0.121 0.000 0.955 428 S CB 0.244 63.588 63.200 0.239 0.000 0.901 428 S HN 0.956 nan 8.310 nan 0.000 0.505 429 T N -0.643 113.837 114.554 -0.124 0.000 3.058 429 T HA 0.512 4.865 4.350 0.005 0.000 0.278 429 T C 0.130 174.721 174.700 -0.182 0.000 0.974 429 T CA -0.300 61.670 62.100 -0.218 0.000 0.893 429 T CB -0.084 68.686 68.868 -0.165 0.000 1.138 429 T HN 0.225 nan 8.240 nan 0.000 0.529 430 I N 2.322 122.831 120.570 -0.103 0.000 2.433 430 I HA 0.387 4.559 4.170 0.005 0.000 0.292 430 I C -0.620 175.471 176.117 -0.042 0.000 1.001 430 I CA -1.078 60.175 61.300 -0.077 0.000 1.119 430 I CB 1.762 39.730 38.000 -0.053 0.000 1.289 430 I HN 0.029 nan 8.210 nan 0.000 0.438 431 D N 5.441 125.806 120.400 -0.058 0.000 2.451 431 D HA 0.001 4.644 4.640 0.005 0.000 0.254 431 D C 0.838 177.124 176.300 -0.024 0.000 1.204 431 D CA 0.045 54.032 54.000 -0.022 0.000 0.896 431 D CB 1.014 41.789 40.800 -0.041 0.000 1.136 431 D HN 0.289 nan 8.370 nan 0.000 0.499 432 L N 4.202 125.435 121.223 0.017 0.000 2.129 432 L HA -0.183 4.160 4.340 0.005 0.000 0.212 432 L C 1.892 178.717 176.870 -0.075 0.000 1.087 432 L CA 1.578 56.395 54.840 -0.039 0.000 0.757 432 L CB -0.834 41.227 42.059 0.003 0.000 0.896 432 L HN 0.554 nan 8.230 nan 0.000 0.434 433 N N -0.970 117.714 118.700 -0.026 0.000 2.309 433 N HA -0.150 4.593 4.740 0.005 0.000 0.182 433 N C 1.568 177.037 175.510 -0.068 0.000 1.018 433 N CA 0.685 53.719 53.050 -0.026 0.000 0.876 433 N CB 0.000 38.503 38.487 0.026 0.000 0.972 433 N HN 0.359 nan 8.380 nan 0.000 0.434 434 K N 0.273 120.626 120.400 -0.078 0.000 2.243 434 K HA 0.120 4.443 4.320 0.005 0.000 0.201 434 K C 1.590 178.115 176.600 -0.125 0.000 1.051 434 K CA 0.419 56.654 56.287 -0.086 0.000 0.970 434 K CB 0.234 32.691 32.500 -0.072 0.000 0.755 434 K HN 0.187 nan 8.250 nan 0.000 0.465 435 I N 0.502 120.955 120.570 -0.195 0.000 2.252 435 I HA -0.149 4.024 4.170 0.005 0.000 0.245 435 I C 1.932 177.850 176.117 -0.332 0.000 1.102 435 I CA 1.239 62.342 61.300 -0.328 0.000 1.385 435 I CB -0.257 37.399 38.000 -0.573 0.000 1.064 435 I HN 0.176 nan 8.210 nan 0.000 0.414 436 G N 0.006 108.648 108.800 -0.264 0.000 3.383 436 G HA2 -0.052 3.911 3.960 0.005 0.000 0.251 436 G HA3 -0.052 3.911 3.960 0.005 0.000 0.251 436 G C 1.140 176.000 174.900 -0.067 0.000 1.203 436 G CA -0.058 44.973 45.100 -0.115 0.000 0.852 436 G HN 0.241 nan 8.290 nan 0.000 0.531 437 E N 1.573 121.727 120.200 -0.076 0.000 2.058 437 E HA -0.122 4.230 4.350 0.005 0.000 0.194 437 E C 2.297 178.874 176.600 -0.039 0.000 0.997 437 E CA 1.038 57.403 56.400 -0.058 0.000 0.801 437 E CB -0.089 29.579 29.700 -0.054 0.000 0.746 437 E HN 0.388 nan 8.360 nan 0.000 0.450 438 R N 0.241 120.728 120.500 -0.022 0.000 2.319 438 R HA 0.090 4.433 4.340 0.005 0.000 0.204 438 R C 0.470 176.764 176.300 -0.011 0.000 0.954 438 R CA 0.846 56.938 56.100 -0.014 0.000 1.066 438 R CB -0.089 30.207 30.300 -0.006 0.000 0.991 438 R HN 0.277 nan 8.270 nan 0.000 0.486 439 T N -2.748 111.803 114.554 -0.005 0.000 2.905 439 T HA 0.361 4.714 4.350 0.005 0.000 0.283 439 T C 0.269 174.956 174.700 -0.022 0.000 1.031 439 T CA -0.924 61.175 62.100 -0.003 0.000 1.002 439 T CB 2.161 71.053 68.868 0.039 0.000 1.200 439 T HN -0.117 nan 8.240 nan 0.000 0.560 440 K N 0.417 120.804 120.400 -0.021 0.000 2.758 440 K HA 0.320 4.643 4.320 0.005 0.000 0.208 440 K C 0.008 176.596 176.600 -0.021 0.000 1.091 440 K CA -0.309 55.960 56.287 -0.031 0.000 1.059 440 K CB 0.708 33.191 32.500 -0.028 0.000 0.801 440 K HN 0.452 nan 8.250 nan 0.000 0.470 441 S N 1.072 116.769 115.700 -0.005 0.000 2.526 441 S HA 0.062 4.535 4.470 0.005 0.000 0.245 441 S C 0.752 175.366 174.600 0.025 0.000 1.103 441 S CA -0.303 57.906 58.200 0.016 0.000 1.095 441 S CB 0.475 63.694 63.200 0.032 0.000 0.826 441 S HN 0.210 nan 8.310 nan 0.000 0.468 442 Q N 2.147 121.934 119.800 -0.021 0.000 2.297 442 Q HA -0.145 4.197 4.340 0.005 0.000 0.208 442 Q C 1.773 177.805 176.000 0.052 0.000 0.981 442 Q CA 1.488 57.267 55.803 -0.039 0.000 0.876 442 Q CB -0.201 28.389 28.738 -0.247 0.000 0.921 442 Q HN 0.672 nan 8.270 nan 0.000 0.446 443 D N -0.697 119.737 120.400 0.057 0.000 2.317 443 D HA -0.139 4.504 4.640 0.005 0.000 0.211 443 D C 1.225 177.566 176.300 0.068 0.000 0.966 443 D CA 0.640 54.687 54.000 0.077 0.000 0.876 443 D CB -0.045 40.793 40.800 0.063 0.000 0.927 443 D HN 0.216 nan 8.370 nan 0.000 0.519 444 R N -0.238 120.301 120.500 0.065 0.000 2.312 444 R HA 0.333 4.676 4.340 0.005 0.000 0.205 444 R C 0.487 176.844 176.300 0.096 0.000 0.904 444 R CA -0.174 55.965 56.100 0.065 0.000 1.052 444 R CB 0.812 31.140 30.300 0.046 0.000 1.014 444 R HN 0.180 nan 8.270 nan 0.000 0.503 445 I N 1.468 122.110 120.570 0.120 0.000 2.325 445 I HA 0.145 4.318 4.170 0.005 0.000 0.291 445 I C -0.331 175.854 176.117 0.114 0.000 1.019 445 I CA -0.246 61.158 61.300 0.174 0.000 1.302 445 I CB 1.547 39.648 38.000 0.169 0.000 1.401 445 I HN -0.221 nan 8.210 nan 0.000 0.485 446 V N 5.338 125.323 119.914 0.118 0.000 3.130 446 V HA 0.783 4.905 4.120 0.005 0.000 0.310 446 V C -0.239 175.882 176.094 0.045 0.000 1.158 446 V CA -0.457 61.876 62.300 0.056 0.000 1.029 446 V CB 2.381 34.226 31.823 0.038 0.000 1.057 446 V HN 0.729 nan 8.190 nan 0.000 0.436 447 G N 2.430 111.208 108.800 -0.036 0.000 2.347 447 G HA2 0.649 4.612 3.960 0.005 0.000 0.314 447 G HA3 0.649 4.612 3.960 0.005 0.000 0.314 447 G C -0.341 174.511 174.900 -0.079 0.000 1.126 447 G CA 0.092 45.143 45.100 -0.081 0.000 0.929 447 G HN 1.355 nan 8.290 nan 0.000 0.441 448 A N 3.467 126.298 122.820 0.018 0.000 2.690 448 A HA 0.424 4.747 4.320 0.005 0.000 0.342 448 A C -0.060 177.544 177.584 0.034 0.000 1.410 448 A CA -0.644 51.397 52.037 0.006 0.000 0.958 448 A CB -0.186 18.905 19.000 0.153 0.000 1.153 448 A HN 0.819 nan 8.150 nan 0.000 0.497 449 H N 2.645 121.575 119.070 -0.234 0.000 2.652 449 H HA 0.471 5.029 4.556 0.004 0.000 0.298 449 H C -1.331 173.771 175.328 -0.377 0.000 1.076 449 H CA 0.073 55.999 56.048 -0.203 0.000 1.360 449 H CB 0.318 29.950 29.762 -0.217 0.000 1.421 449 H HN 0.458 nan 8.280 nan 0.000 0.464 450 F N 4.100 123.712 119.950 -0.562 0.000 2.497 450 F HA 0.338 4.868 4.527 0.005 0.000 0.331 450 F C -0.433 174.932 175.800 -0.725 0.000 1.060 450 F CA -0.711 57.048 58.000 -0.400 0.000 0.989 450 F CB 1.061 39.978 39.000 -0.138 0.000 1.245 450 F HN 0.383 nan 8.300 nan 0.000 0.486 451 F N 0.356 120.340 119.950 0.057 0.000 2.467 451 F HA 0.358 4.888 4.527 0.005 0.000 0.336 451 F C 0.330 176.165 175.800 0.060 0.000 1.123 451 F CA -0.939 57.074 58.000 0.021 0.000 0.964 451 F CB 1.675 40.692 39.000 0.028 0.000 1.136 451 F HN 0.262 nan 8.300 nan 0.000 0.447 452 S N 3.569 119.377 115.700 0.180 0.000 2.549 452 S HA 0.346 4.818 4.470 0.005 0.000 0.283 452 S C -2.400 172.262 174.600 0.103 0.000 1.320 452 S CA -1.061 57.213 58.200 0.123 0.000 1.058 452 S CB 0.191 63.447 63.200 0.094 0.000 0.882 452 S HN 0.284 nan 8.310 nan 0.000 0.498 453 P HA 0.276 nan 4.420 nan 0.000 0.276 453 P C 0.155 177.483 177.300 0.047 0.000 1.235 453 P CA -0.339 62.768 63.100 0.011 0.000 0.772 453 P CB 0.829 32.427 31.700 -0.170 0.000 0.871 454 A N 3.155 126.061 122.820 0.143 0.000 2.024 454 A HA -0.221 4.101 4.320 0.005 0.000 0.220 454 A C 1.477 179.181 177.584 0.200 0.000 1.164 454 A CA 1.814 53.948 52.037 0.162 0.000 0.643 454 A CB -1.439 17.554 19.000 -0.012 0.000 0.806 454 A HN 0.832 nan 8.150 nan 0.000 0.451 455 H N -3.976 115.127 119.070 0.054 0.000 2.551 455 H HA 0.512 5.071 4.556 0.005 0.000 0.271 455 H C 1.097 176.473 175.328 0.080 0.000 0.984 455 H CA 0.318 56.404 56.048 0.064 0.000 1.164 455 H CB 0.032 29.817 29.762 0.039 0.000 1.437 455 H HN 0.396 nan 8.280 nan 0.000 0.550 456 I N -0.572 119.908 120.570 -0.150 0.000 3.673 456 I HA 0.124 4.297 4.170 0.005 0.000 0.281 456 I C 0.551 176.665 176.117 -0.005 0.000 1.182 456 I CA -0.234 61.003 61.300 -0.105 0.000 1.391 456 I CB 0.174 38.058 38.000 -0.194 0.000 1.383 456 I HN 0.141 nan 8.210 nan 0.000 0.456 457 M N 3.264 122.882 119.600 0.030 0.000 2.327 457 M HA 0.082 4.565 4.480 0.005 0.000 0.353 457 M C -1.812 174.544 176.300 0.094 0.000 1.539 457 M CA -1.632 53.707 55.300 0.064 0.000 1.039 457 M CB 0.291 32.973 32.600 0.137 0.000 1.967 457 M HN -0.132 nan 8.290 nan 0.000 0.459 458 P HA 0.035 nan 4.420 nan 0.000 0.231 458 P C -0.239 177.088 177.300 0.045 0.000 1.168 458 P CA 0.395 63.522 63.100 0.044 0.000 0.779 458 P CB 0.097 31.803 31.700 0.009 0.000 0.844 459 L N 0.274 121.516 121.223 0.032 0.000 2.375 459 L HA 0.488 4.831 4.340 0.005 0.000 0.271 459 L C -0.510 176.433 176.870 0.123 0.000 1.107 459 L CA -0.636 54.224 54.840 0.033 0.000 0.806 459 L CB 0.679 42.675 42.059 -0.105 0.000 1.146 459 L HN -0.213 nan 8.230 nan 0.000 0.447 460 L N 3.618 124.869 121.223 0.048 0.000 2.476 460 L HA 0.451 4.793 4.340 0.005 0.000 0.269 460 L C -1.003 175.852 176.870 -0.026 0.000 0.965 460 L CA -0.154 54.616 54.840 -0.117 0.000 0.845 460 L CB 1.812 43.687 42.059 -0.307 0.000 1.259 460 L HN 0.659 nan 8.230 nan 0.000 0.403 461 E N 5.779 125.997 120.200 0.030 0.000 2.089 461 E HA 0.347 4.699 4.350 0.005 0.000 0.284 461 E C -0.660 175.871 176.600 -0.115 0.000 1.023 461 E CA -0.221 56.202 56.400 0.038 0.000 0.819 461 E CB 1.004 30.810 29.700 0.178 0.000 1.076 461 E HN 0.557 nan 8.360 nan 0.000 0.396 462 I N 4.483 124.989 120.570 -0.107 0.000 2.308 462 I HA 0.062 4.235 4.170 0.005 0.000 0.293 462 I C -0.301 175.723 176.117 -0.156 0.000 1.078 462 I CA -0.466 60.761 61.300 -0.122 0.000 1.292 462 I CB 0.721 38.677 38.000 -0.074 0.000 1.423 462 I HN 0.166 nan 8.210 nan 0.000 0.493 463 V N 7.757 127.520 119.914 -0.251 0.000 2.368 463 V HA 0.247 4.369 4.120 0.005 0.000 0.266 463 V C 0.655 176.655 176.094 -0.157 0.000 1.045 463 V CA -0.617 61.489 62.300 -0.322 0.000 0.899 463 V CB 0.633 32.025 31.823 -0.718 0.000 1.006 463 V HN 0.733 nan 8.190 nan 0.000 0.470 464 R N 3.302 123.750 120.500 -0.088 0.000 2.500 464 R HA 0.652 4.994 4.340 0.005 0.000 0.277 464 R C -0.449 175.842 176.300 -0.015 0.000 1.026 464 R CA -0.432 55.646 56.100 -0.036 0.000 1.058 464 R CB 1.323 31.610 30.300 -0.022 0.000 1.078 464 R HN 0.511 nan 8.270 nan 0.000 0.509 465 T N 0.729 115.289 114.554 0.010 0.000 2.844 465 T HA 0.185 4.538 4.350 0.005 0.000 0.274 465 T C 0.959 175.642 174.700 -0.029 0.000 0.991 465 T CA -0.779 61.334 62.100 0.022 0.000 0.983 465 T CB 0.782 69.704 68.868 0.090 0.000 1.310 465 T HN 0.696 nan 8.240 nan 0.000 0.596 466 N N -0.264 118.370 118.700 -0.110 0.000 2.459 466 N HA -0.068 4.675 4.740 0.005 0.000 0.181 466 N C 1.275 176.571 175.510 -0.357 0.000 1.046 466 N CA 0.596 53.484 53.050 -0.271 0.000 0.904 466 N CB 0.048 38.287 38.487 -0.413 0.000 0.964 466 N HN 0.474 nan 8.380 nan 0.000 0.444 467 H N -0.566 118.507 119.070 0.005 0.000 2.681 467 H HA 0.140 4.699 4.556 0.005 0.000 0.268 467 H C 0.296 175.631 175.328 0.011 0.000 0.967 467 H CA 0.289 56.341 56.048 0.008 0.000 1.233 467 H CB 0.077 29.844 29.762 0.008 0.000 1.445 467 H HN 0.008 nan 8.280 nan 0.000 0.494 468 T N 3.345 117.965 114.554 0.110 0.000 2.800 468 T HA 0.009 4.362 4.350 0.005 0.000 0.283 468 T C 0.771 175.500 174.700 0.048 0.000 0.999 468 T CA 0.107 62.248 62.100 0.070 0.000 1.176 468 T CB 0.216 69.108 68.868 0.040 0.000 0.973 468 T HN 0.337 nan 8.240 nan 0.000 0.519 469 S N 2.747 118.477 115.700 0.051 0.000 2.565 469 S HA 0.434 4.907 4.470 0.005 0.000 0.276 469 S C 1.679 176.296 174.600 0.028 0.000 1.326 469 S CA -0.533 57.690 58.200 0.039 0.000 1.045 469 S CB 1.154 64.380 63.200 0.043 0.000 0.918 469 S HN 0.761 nan 8.310 nan 0.000 0.505 470 A N 2.091 124.923 122.820 0.021 0.000 1.917 470 A HA -0.201 4.121 4.320 0.005 0.000 0.219 470 A C 2.227 179.823 177.584 0.020 0.000 1.182 470 A CA 2.128 54.175 52.037 0.017 0.000 0.633 470 A CB -1.222 17.786 19.000 0.013 0.000 0.819 470 A HN 0.944 nan 8.150 nan 0.000 0.448 471 Q N -0.186 119.629 119.800 0.025 0.000 2.170 471 Q HA -0.089 4.254 4.340 0.005 0.000 0.203 471 Q C 1.747 177.766 176.000 0.032 0.000 0.976 471 Q CA 2.039 57.859 55.803 0.028 0.000 0.858 471 Q CB -0.520 28.237 28.738 0.031 0.000 0.907 471 Q HN 0.358 nan 8.270 nan 0.000 0.433 472 V N 0.171 120.105 119.914 0.034 0.000 2.453 472 V HA -0.202 3.921 4.120 0.005 0.000 0.247 472 V C 2.183 178.293 176.094 0.026 0.000 1.048 472 V CA 1.604 63.925 62.300 0.035 0.000 1.049 472 V CB -0.456 31.391 31.823 0.040 0.000 0.672 472 V HN 0.387 nan 8.190 nan 0.000 0.457 473 I N -0.417 120.165 120.570 0.020 0.000 2.179 473 I HA -0.196 3.976 4.170 0.005 0.000 0.242 473 I C 2.403 178.527 176.117 0.012 0.000 1.088 473 I CA 1.197 62.504 61.300 0.010 0.000 1.357 473 I CB -0.393 37.610 38.000 0.006 0.000 1.051 473 I HN 0.126 nan 8.210 nan 0.000 0.409 474 V N 0.889 120.812 119.914 0.016 0.000 2.392 474 V HA -0.306 3.817 4.120 0.005 0.000 0.249 474 V C 2.054 178.162 176.094 0.024 0.000 1.059 474 V CA 1.931 64.242 62.300 0.018 0.000 1.051 474 V CB -0.667 31.168 31.823 0.019 0.000 0.658 474 V HN 0.416 nan 8.190 nan 0.000 0.455 475 D N -0.337 120.081 120.400 0.028 0.000 2.078 475 D HA -0.130 4.512 4.640 0.005 0.000 0.193 475 D C 1.982 178.301 176.300 0.032 0.000 0.990 475 D CA 1.060 55.081 54.000 0.036 0.000 0.827 475 D CB -0.350 40.475 40.800 0.042 0.000 0.975 475 D HN 0.259 nan 8.370 nan 0.000 0.451 476 L N 0.773 122.009 121.223 0.021 0.000 2.046 476 L HA -0.101 4.241 4.340 0.005 0.000 0.208 476 L C 2.189 179.064 176.870 0.009 0.000 1.077 476 L CA 1.071 55.918 54.840 0.011 0.000 0.747 476 L CB -0.929 41.132 42.059 0.002 0.000 0.896 476 L HN 0.022 nan 8.230 nan 0.000 0.432 477 L N -0.456 120.771 121.223 0.007 0.000 2.129 477 L HA -0.271 4.071 4.340 0.005 0.000 0.212 477 L C 2.102 178.984 176.870 0.019 0.000 1.087 477 L CA 2.042 56.886 54.840 0.006 0.000 0.757 477 L CB -0.840 41.222 42.059 0.005 0.000 0.896 477 L HN 0.394 nan 8.230 nan 0.000 0.434 478 D N -2.116 118.303 120.400 0.032 0.000 2.183 478 D HA -0.094 4.549 4.640 0.005 0.000 0.205 478 D C 2.201 178.546 176.300 0.074 0.000 0.962 478 D CA 0.735 54.764 54.000 0.048 0.000 0.849 478 D CB 0.250 41.081 40.800 0.051 0.000 0.978 478 D HN 0.124 nan 8.370 nan 0.000 0.488 479 V N 0.188 120.146 119.914 0.073 0.000 2.343 479 V HA -0.121 4.002 4.120 0.005 0.000 0.247 479 V C 2.477 178.628 176.094 0.095 0.000 1.051 479 V CA 1.912 64.267 62.300 0.092 0.000 1.036 479 V CB -0.926 30.899 31.823 0.003 0.000 0.654 479 V HN 0.364 nan 8.190 nan 0.000 0.451 480 G N -0.465 108.370 108.800 0.058 0.000 2.476 480 G HA2 -0.355 3.608 3.960 0.005 0.000 0.218 480 G HA3 -0.355 3.608 3.960 0.005 0.000 0.218 480 G C 1.645 176.587 174.900 0.070 0.000 1.164 480 G CA 1.239 46.371 45.100 0.052 0.000 0.768 480 G HN 0.504 nan 8.290 nan 0.000 0.560 481 K N 0.264 120.700 120.400 0.060 0.000 2.097 481 K HA -0.077 4.245 4.320 0.005 0.000 0.205 481 K C 2.402 179.050 176.600 0.080 0.000 1.050 481 K CA 1.019 57.339 56.287 0.055 0.000 0.938 481 K CB -0.027 32.496 32.500 0.038 0.000 0.718 481 K HN 0.028 nan 8.250 nan 0.000 0.442 482 K N 0.931 121.400 120.400 0.115 0.000 2.209 482 K HA -0.118 4.205 4.320 0.005 0.000 0.204 482 K C 1.687 178.388 176.600 0.168 0.000 1.048 482 K CA 1.189 57.564 56.287 0.146 0.000 0.940 482 K CB -0.193 32.450 32.500 0.238 0.000 0.729 482 K HN 0.502 nan 8.250 nan 0.000 0.451 483 I N -1.466 119.214 120.570 0.184 0.000 3.731 483 I HA 0.210 4.382 4.170 0.005 0.000 0.341 483 I C -0.752 175.450 176.117 0.142 0.000 1.532 483 I CA -0.531 60.881 61.300 0.186 0.000 1.163 483 I CB 0.067 38.199 38.000 0.220 0.000 1.339 483 I HN -0.199 nan 8.210 nan 0.000 0.449 484 K N 0.517 120.981 120.400 0.106 0.000 3.016 484 K HA -0.152 4.171 4.320 0.005 0.000 0.262 484 K C -0.331 176.318 176.600 0.080 0.000 1.043 484 K CA 0.890 57.226 56.287 0.081 0.000 0.761 484 K CB -1.469 31.079 32.500 0.080 0.000 1.230 484 K HN 0.612 nan 8.250 nan 0.000 0.485 485 K N 0.217 120.666 120.400 0.082 0.000 2.166 485 K HA 0.388 4.711 4.320 0.005 0.000 0.245 485 K C 0.126 176.745 176.600 0.031 0.000 0.967 485 K CA -0.523 55.804 56.287 0.067 0.000 0.863 485 K CB 1.414 33.962 32.500 0.080 0.000 1.107 485 K HN -0.109 nan 8.250 nan 0.000 0.436 486 T N 4.305 118.869 114.554 0.015 0.000 2.801 486 T HA 0.322 4.675 4.350 0.005 0.000 0.306 486 T C -2.534 172.162 174.700 -0.008 0.000 1.020 486 T CA -1.572 60.526 62.100 -0.004 0.000 0.948 486 T CB 1.182 70.041 68.868 -0.015 0.000 0.962 486 T HN 0.203 nan 8.240 nan 0.000 0.465 487 P HA 0.425 nan 4.420 nan 0.000 0.290 487 P C -0.850 176.445 177.300 -0.009 0.000 1.276 487 P CA -0.647 62.441 63.100 -0.020 0.000 0.808 487 P CB 0.928 32.614 31.700 -0.023 0.000 0.966 488 V N 0.898 120.814 119.914 0.002 0.000 2.604 488 V HA 0.519 4.642 4.120 0.005 0.000 0.305 488 V C -0.335 175.761 176.094 0.004 0.000 1.043 488 V CA -1.025 61.282 62.300 0.012 0.000 0.888 488 V CB 2.012 33.856 31.823 0.034 0.000 0.995 488 V HN 0.158 nan 8.190 nan 0.000 0.429 489 V N 5.849 125.764 119.914 0.002 0.000 2.320 489 V HA 0.462 4.584 4.120 0.005 0.000 0.265 489 V C 0.426 176.522 176.094 0.002 0.000 1.048 489 V CA 0.011 62.306 62.300 -0.009 0.000 0.865 489 V CB 0.885 32.704 31.823 -0.007 0.000 1.043 489 V HN 0.977 nan 8.190 nan 0.000 0.474 490 V N 2.804 122.710 119.914 -0.013 0.000 2.994 490 V HA 1.018 5.140 4.120 0.005 0.000 0.318 490 V C 0.584 176.675 176.094 -0.005 0.000 1.085 490 V CA -0.427 61.882 62.300 0.016 0.000 0.998 490 V CB 1.657 33.515 31.823 0.058 0.000 1.063 490 V HN 0.707 nan 8.190 nan 0.000 0.447 491 G N 0.516 109.343 108.800 0.044 0.000 2.477 491 G HA2 0.320 4.282 3.960 0.005 0.000 0.304 491 G HA3 0.320 4.282 3.960 0.005 0.000 0.304 491 G C -0.418 174.546 174.900 0.106 0.000 1.175 491 G CA -0.690 44.438 45.100 0.047 0.000 0.907 491 G HN 0.886 nan 8.290 nan 0.000 0.509 492 N N -0.472 118.287 118.700 0.098 0.000 2.401 492 N HA 0.358 5.100 4.740 0.005 0.000 0.255 492 N C -0.147 175.472 175.510 0.183 0.000 1.110 492 N CA -0.304 52.851 53.050 0.176 0.000 0.949 492 N CB -0.045 38.508 38.487 0.110 0.000 1.110 492 N HN 0.769 nan 8.380 nan 0.000 0.490 493 C N 0.070 119.521 119.300 0.252 0.000 3.259 493 C HA 0.463 4.926 4.460 0.005 0.000 0.344 493 C C -0.101 174.919 174.990 0.050 0.000 1.401 493 C CA -1.016 58.090 59.018 0.147 0.000 1.219 493 C CB 0.194 28.040 27.740 0.176 0.000 1.521 493 C HN 0.535 nan 8.230 nan 0.000 0.455 494 T N 1.974 116.549 114.554 0.034 0.000 2.708 494 T HA 0.418 4.771 4.350 0.005 0.000 0.271 494 T C 1.439 176.151 174.700 0.019 0.000 0.985 494 T CA 2.079 64.131 62.100 -0.079 0.000 1.229 494 T CB -0.561 68.289 68.868 -0.029 0.000 0.934 494 T HN 2.575 nan 8.240 nan 0.000 0.522 495 G N 3.162 111.744 108.800 -0.363 0.000 2.148 495 G HA2 -0.316 3.646 3.960 0.005 0.000 0.254 495 G HA3 -0.316 3.646 3.960 0.005 0.000 0.254 495 G C 0.497 175.337 174.900 -0.100 0.000 0.981 495 G CA 0.040 45.040 45.100 -0.168 0.000 0.670 495 G HN 0.699 nan 8.290 nan 0.000 0.528 496 F N -1.570 118.444 119.950 0.108 0.000 2.636 496 F HA -0.306 4.224 4.527 0.004 0.000 0.222 496 F C 2.436 178.314 175.800 0.131 0.000 1.471 496 F CA 2.657 60.702 58.000 0.076 0.000 1.965 496 F CB -1.786 37.208 39.000 -0.011 0.000 0.463 496 F HN 1.115 nan 8.300 nan 0.000 0.244 497 A N -1.196 121.856 122.820 0.387 0.000 2.011 497 A HA 0.445 4.768 4.320 0.005 0.000 0.204 497 A C 1.851 179.599 177.584 0.273 0.000 1.520 497 A CA 0.897 53.091 52.037 0.263 0.000 0.819 497 A CB -0.815 18.311 19.000 0.210 0.000 1.087 497 A HN 0.409 nan 8.150 nan 0.000 0.526 498 V N 1.667 121.797 119.914 0.360 0.000 2.223 498 V HA -0.308 3.815 4.120 0.005 0.000 0.244 498 V C 2.171 178.515 176.094 0.416 0.000 1.045 498 V CA 2.500 65.030 62.300 0.384 0.000 1.000 498 V CB -1.282 30.814 31.823 0.455 0.000 0.635 498 V HN 0.611 nan 8.190 nan 0.000 0.445 499 N N -0.346 118.625 118.700 0.452 0.000 2.166 499 N HA -0.199 4.544 4.740 0.005 0.000 0.186 499 N C 2.090 177.801 175.510 0.334 0.000 1.019 499 N CA 1.074 54.386 53.050 0.438 0.000 0.856 499 N CB -0.191 38.589 38.487 0.487 0.000 0.993 499 N HN 0.364 nan 8.380 nan 0.000 0.426 500 R N 1.092 121.805 120.500 0.355 0.000 2.120 500 R HA -0.039 4.304 4.340 0.005 0.000 0.234 500 R C 2.172 178.511 176.300 0.066 0.000 1.123 500 R CA 0.897 57.146 56.100 0.248 0.000 0.975 500 R CB -0.086 30.439 30.300 0.376 0.000 0.866 500 R HN 0.245 nan 8.270 nan 0.000 0.446 501 M N -0.568 119.061 119.600 0.048 0.000 2.132 501 M HA -0.110 4.373 4.480 0.005 0.000 0.263 501 M C 0.635 176.712 176.300 -0.371 0.000 1.065 501 M CA 1.719 56.922 55.300 -0.163 0.000 1.122 501 M CB 0.182 32.723 32.600 -0.098 0.000 1.365 501 M HN 0.118 nan 8.290 nan 0.000 0.411 502 F N -0.952 118.929 119.950 -0.115 0.000 2.641 502 F HA 0.076 4.606 4.527 0.005 0.000 0.302 502 F C 1.398 177.145 175.800 -0.089 0.000 1.098 502 F CA -0.358 57.569 58.000 -0.122 0.000 1.318 502 F CB -0.228 38.708 39.000 -0.106 0.000 1.035 502 F HN 0.177 nan 8.300 nan 0.000 0.551 503 F N 1.176 121.037 119.950 -0.148 0.000 2.234 503 F HA 0.096 4.626 4.527 0.005 0.000 0.299 503 F C -1.195 174.553 175.800 -0.087 0.000 1.087 503 F CA 0.285 58.127 58.000 -0.262 0.000 1.340 503 F CB -2.421 35.998 39.000 -0.970 0.000 1.031 503 F HN -0.138 nan 8.300 nan 0.000 0.500 504 P HA -0.157 nan 4.420 nan 0.000 0.219 504 P C 1.440 178.709 177.300 -0.051 0.000 1.150 504 P CA 1.391 64.221 63.100 -0.451 0.000 0.814 504 P CB -0.404 30.845 31.700 -0.752 0.000 0.787 505 Y N 1.024 121.198 120.300 -0.210 0.000 2.002 505 Y HA -0.313 4.239 4.550 0.004 0.000 0.268 505 Y C 2.270 178.079 175.900 -0.152 0.000 1.177 505 Y CA 2.450 60.444 58.100 -0.176 0.000 1.111 505 Y CB -1.386 37.046 38.460 -0.046 0.000 0.952 505 Y HN -0.095 nan 8.280 nan 0.000 0.491 506 T N 0.428 114.910 114.554 -0.120 0.000 2.821 506 T HA -0.185 4.168 4.350 0.005 0.000 0.267 506 T C 1.753 176.349 174.700 -0.173 0.000 1.046 506 T CA 1.697 63.635 62.100 -0.269 0.000 1.139 506 T CB -0.187 68.628 68.868 -0.089 0.000 0.871 506 T HN 0.498 nan 8.240 nan 0.000 0.454 507 Q N 0.376 120.175 119.800 -0.002 0.000 2.123 507 Q HA 0.083 4.426 4.340 0.005 0.000 0.199 507 Q C 2.710 178.647 176.000 -0.105 0.000 0.966 507 Q CA 1.186 57.020 55.803 0.050 0.000 0.845 507 Q CB -0.220 28.642 28.738 0.207 0.000 0.907 507 Q HN 0.516 nan 8.270 nan 0.000 0.439 508 A N 1.274 124.041 122.820 -0.089 0.000 1.933 508 A HA -0.131 4.192 4.320 0.005 0.000 0.218 508 A C 2.291 179.819 177.584 -0.094 0.000 1.175 508 A CA 1.572 53.541 52.037 -0.112 0.000 0.628 508 A CB -0.741 18.312 19.000 0.088 0.000 0.814 508 A HN 0.388 nan 8.150 nan 0.000 0.444 509 A N -0.380 122.314 122.820 -0.210 0.000 1.858 509 A HA -0.146 4.177 4.320 0.005 0.000 0.216 509 A C 2.277 179.866 177.584 0.009 0.000 1.190 509 A CA 1.881 53.781 52.037 -0.228 0.000 0.617 509 A CB -0.578 18.025 19.000 -0.661 0.000 0.827 509 A HN 0.510 nan 8.150 nan 0.000 0.443 510 M N -1.923 117.682 119.600 0.008 0.000 2.213 510 M HA -0.073 4.409 4.480 0.005 0.000 0.263 510 M C 2.137 178.496 176.300 0.099 0.000 1.062 510 M CA 1.594 57.011 55.300 0.196 0.000 1.105 510 M CB -0.426 32.302 32.600 0.215 0.000 1.385 510 M HN 0.596 nan 8.290 nan 0.000 0.417 511 F N 1.337 121.173 119.950 -0.190 0.000 2.171 511 F HA -0.182 4.348 4.527 0.004 0.000 0.300 511 F C 1.818 177.466 175.800 -0.254 0.000 1.090 511 F CA 1.418 59.161 58.000 -0.427 0.000 1.293 511 F CB -0.091 38.475 39.000 -0.725 0.000 1.013 511 F HN -0.038 nan 8.300 nan 0.000 0.486 512 L N -0.567 120.504 121.223 -0.253 0.000 2.083 512 L HA -0.205 4.138 4.340 0.005 0.000 0.209 512 L C 2.421 179.135 176.870 -0.260 0.000 1.083 512 L CA 0.857 55.512 54.840 -0.309 0.000 0.752 512 L CB -0.840 41.132 42.059 -0.144 0.000 0.899 512 L HN 0.053 nan 8.230 nan 0.000 0.433 513 V N -0.118 119.720 119.914 -0.127 0.000 2.295 513 V HA -0.265 3.858 4.120 0.005 0.000 0.246 513 V C 2.338 178.340 176.094 -0.154 0.000 1.049 513 V CA 1.742 63.968 62.300 -0.122 0.000 1.024 513 V CB -0.394 31.380 31.823 -0.082 0.000 0.648 513 V HN 0.458 nan 8.190 nan 0.000 0.447 514 E N -1.218 118.887 120.200 -0.159 0.000 2.333 514 E HA -0.215 4.138 4.350 0.005 0.000 0.198 514 E C 1.924 178.387 176.600 -0.228 0.000 1.007 514 E CA 1.328 57.642 56.400 -0.143 0.000 0.845 514 E CB -0.201 29.458 29.700 -0.068 0.000 0.766 514 E HN 0.587 nan 8.360 nan 0.000 0.507 515 C N -0.351 118.736 119.300 -0.356 0.000 2.697 515 C HA 0.257 4.719 4.460 0.005 0.000 0.267 515 C C 1.690 176.560 174.990 -0.200 0.000 1.278 515 C CA 0.428 59.244 59.018 -0.336 0.000 1.708 515 C CB -0.417 27.006 27.740 -0.528 0.000 1.860 515 C HN 0.702 nan 8.230 nan 0.000 0.589 516 G N 0.157 108.857 108.800 -0.166 0.000 2.284 516 G HA2 -0.024 3.938 3.960 0.005 0.000 0.201 516 G HA3 -0.024 3.938 3.960 0.005 0.000 0.201 516 G C 0.251 175.087 174.900 -0.107 0.000 0.998 516 G CA -0.007 45.025 45.100 -0.114 0.000 0.651 516 G HN 0.813 nan 8.290 nan 0.000 0.489 517 A N 0.987 123.729 122.820 -0.130 0.000 2.548 517 A HA 0.428 4.751 4.320 0.005 0.000 0.247 517 A C 0.463 177.983 177.584 -0.108 0.000 1.067 517 A CA 0.743 52.715 52.037 -0.107 0.000 0.757 517 A CB 0.163 19.095 19.000 -0.114 0.000 0.996 517 A HN 0.395 nan 8.150 nan 0.000 0.504 518 D N 3.731 124.087 120.400 -0.074 0.000 2.412 518 D HA 0.110 4.752 4.640 0.005 0.000 0.257 518 D C -1.453 174.765 176.300 -0.136 0.000 1.217 518 D CA -1.463 52.496 54.000 -0.069 0.000 0.897 518 D CB 1.043 41.850 40.800 0.012 0.000 1.132 518 D HN 0.196 nan 8.370 nan 0.000 0.493 519 P HA -0.143 nan 4.420 nan 0.000 0.215 519 P C 0.828 177.882 177.300 -0.410 0.000 1.153 519 P CA 1.211 63.897 63.100 -0.691 0.000 0.853 519 P CB -0.014 30.882 31.700 -1.339 0.000 0.788 520 Y N -0.912 119.319 120.300 -0.115 0.000 2.293 520 Y HA -0.066 4.487 4.550 0.005 0.000 0.291 520 Y C 2.330 178.240 175.900 0.016 0.000 1.137 520 Y CA 0.667 58.752 58.100 -0.026 0.000 1.202 520 Y CB -1.378 37.063 38.460 -0.032 0.000 0.990 520 Y HN -0.140 nan 8.280 nan 0.000 0.537 521 L N -0.711 120.591 121.223 0.132 0.000 2.056 521 L HA -0.216 4.127 4.340 0.005 0.000 0.207 521 L C 2.182 179.104 176.870 0.087 0.000 1.078 521 L CA 0.801 55.696 54.840 0.092 0.000 0.749 521 L CB -0.600 41.492 42.059 0.055 0.000 0.901 521 L HN 0.229 nan 8.230 nan 0.000 0.433 522 I N 0.354 120.972 120.570 0.081 0.000 2.118 522 I HA -0.327 3.845 4.170 0.005 0.000 0.241 522 I C 2.208 178.405 176.117 0.132 0.000 1.070 522 I CA 1.794 63.159 61.300 0.109 0.000 1.327 522 I CB -1.186 36.938 38.000 0.205 0.000 1.034 522 I HN 0.292 nan 8.210 nan 0.000 0.405 523 D N 0.744 121.246 120.400 0.170 0.000 2.123 523 D HA -0.171 4.472 4.640 0.005 0.000 0.196 523 D C 2.478 178.868 176.300 0.150 0.000 0.992 523 D CA 2.076 56.177 54.000 0.169 0.000 0.833 523 D CB -0.267 40.647 40.800 0.191 0.000 0.954 523 D HN 0.338 nan 8.370 nan 0.000 0.455 524 R N 0.899 121.482 120.500 0.138 0.000 2.075 524 R HA 0.157 4.500 4.340 0.005 0.000 0.232 524 R C 2.293 178.664 176.300 0.119 0.000 1.126 524 R CA 1.785 57.956 56.100 0.119 0.000 0.963 524 R CB -1.418 28.944 30.300 0.103 0.000 0.858 524 R HN 0.294 nan 8.270 nan 0.000 0.435 525 A N 0.605 123.496 122.820 0.118 0.000 1.933 525 A HA 0.071 4.394 4.320 0.005 0.000 0.218 525 A C 2.355 180.043 177.584 0.173 0.000 1.175 525 A CA 1.519 53.630 52.037 0.122 0.000 0.628 525 A CB -0.200 18.857 19.000 0.095 0.000 0.814 525 A HN 0.518 nan 8.150 nan 0.000 0.444 526 I N -1.102 119.587 120.570 0.197 0.000 3.035 526 I HA -0.070 4.103 4.170 0.005 0.000 0.271 526 I C 2.206 178.497 176.117 0.290 0.000 1.190 526 I CA 0.699 62.179 61.300 0.299 0.000 1.472 526 I CB -0.009 38.188 38.000 0.328 0.000 1.116 526 I HN 0.151 nan 8.210 nan 0.000 0.443 527 S N 0.624 116.442 115.700 0.198 0.000 2.453 527 S HA -0.146 4.326 4.470 0.005 0.000 0.231 527 S C 1.960 176.628 174.600 0.113 0.000 1.005 527 S CA 1.119 59.405 58.200 0.143 0.000 0.949 527 S CB -0.082 63.187 63.200 0.115 0.000 0.774 527 S HN 0.348 nan 8.310 nan 0.000 0.510 528 K N 0.215 120.695 120.400 0.132 0.000 2.262 528 K HA 0.079 4.402 4.320 0.005 0.000 0.200 528 K C 1.688 178.361 176.600 0.121 0.000 1.049 528 K CA 0.313 56.661 56.287 0.102 0.000 0.979 528 K CB -0.171 32.388 32.500 0.097 0.000 0.773 528 K HN 0.282 nan 8.250 nan 0.000 0.474 529 F N 0.356 120.309 119.950 0.006 0.000 2.250 529 F HA -0.059 4.471 4.527 0.004 0.000 0.301 529 F C 1.230 176.958 175.800 -0.120 0.000 1.077 529 F CA 1.983 59.946 58.000 -0.062 0.000 1.348 529 F CB 0.141 39.076 39.000 -0.108 0.000 1.040 529 F HN 0.223 nan 8.300 nan 0.000 0.509 530 G N -1.412 107.258 108.800 -0.216 0.000 3.033 530 G HA2 -0.082 3.881 3.960 0.005 0.000 0.208 530 G HA3 -0.082 3.881 3.960 0.005 0.000 0.208 530 G C 0.273 175.029 174.900 -0.241 0.000 1.006 530 G CA -0.055 44.857 45.100 -0.314 0.000 0.808 530 G HN 0.067 nan 8.290 nan 0.000 0.499 531 M N 1.139 120.668 119.600 -0.119 0.000 2.252 531 M HA 0.206 4.689 4.480 0.005 0.000 0.333 531 M C -1.504 174.799 176.300 0.005 0.000 1.111 531 M CA -1.216 54.073 55.300 -0.017 0.000 1.140 531 M CB 0.394 33.096 32.600 0.170 0.000 1.538 531 M HN -0.095 nan 8.290 nan 0.000 0.448 532 P HA 0.189 nan 4.420 nan 0.000 0.245 532 P C -0.161 177.161 177.300 0.035 0.000 1.212 532 P CA 0.725 63.827 63.100 0.004 0.000 0.774 532 P CB 0.407 32.097 31.700 -0.017 0.000 0.999 533 M N -2.326 117.312 119.600 0.065 0.000 2.732 533 M HA 0.534 5.016 4.480 0.005 0.000 0.272 533 M C -0.935 175.446 176.300 0.134 0.000 1.203 533 M CA -0.787 54.565 55.300 0.086 0.000 0.841 533 M CB 2.016 34.654 32.600 0.064 0.000 1.685 533 M HN -0.206 nan 8.290 nan 0.000 0.492 534 G N 0.989 109.867 108.800 0.130 0.000 2.451 534 G HA2 0.541 4.503 3.960 0.005 0.000 0.303 534 G HA3 0.541 4.503 3.960 0.005 0.000 0.303 534 G C -2.673 172.269 174.900 0.070 0.000 1.166 534 G CA -1.407 43.774 45.100 0.135 0.000 0.884 534 G HN 0.441 nan 8.290 nan 0.000 0.514 535 P HA -0.159 nan 4.420 nan 0.000 0.215 535 P C 1.418 178.488 177.300 -0.384 0.000 1.163 535 P CA 1.460 64.305 63.100 -0.425 0.000 0.894 535 P CB 0.019 31.143 31.700 -0.960 0.000 0.791 536 F N -0.997 118.884 119.950 -0.114 0.000 2.163 536 F HA -0.038 4.491 4.527 0.005 0.000 0.297 536 F C 2.636 178.392 175.800 -0.073 0.000 1.094 536 F CA 0.727 58.658 58.000 -0.114 0.000 1.290 536 F CB -0.923 37.991 39.000 -0.144 0.000 1.017 536 F HN -0.246 nan 8.300 nan 0.000 0.483 537 R N 1.474 122.070 120.500 0.159 0.000 2.091 537 R HA -0.180 4.162 4.340 0.005 0.000 0.238 537 R C 1.993 178.329 176.300 0.060 0.000 1.136 537 R CA 1.596 57.765 56.100 0.115 0.000 0.959 537 R CB -1.151 29.224 30.300 0.125 0.000 0.856 537 R HN 0.476 nan 8.270 nan 0.000 0.437 538 L N -0.701 120.546 121.223 0.040 0.000 2.156 538 L HA -0.065 4.278 4.340 0.005 0.000 0.208 538 L C 2.279 179.132 176.870 -0.029 0.000 1.095 538 L CA 1.499 56.351 54.840 0.021 0.000 0.770 538 L CB -0.468 41.621 42.059 0.049 0.000 0.914 538 L HN 0.417 nan 8.230 nan 0.000 0.439 539 C N 0.794 120.045 119.300 -0.082 0.000 2.422 539 C HA -0.122 4.341 4.460 0.005 0.000 0.279 539 C C 2.720 177.507 174.990 -0.339 0.000 1.305 539 C CA 1.455 60.356 59.018 -0.194 0.000 1.757 539 C CB -1.274 26.325 27.740 -0.235 0.000 1.962 539 C HN 0.741 nan 8.230 nan 0.000 0.499 540 D N -0.258 120.001 120.400 -0.236 0.000 2.194 540 D HA -0.058 4.585 4.640 0.005 0.000 0.204 540 D C 1.880 178.168 176.300 -0.019 0.000 0.964 540 D CA 1.192 55.093 54.000 -0.165 0.000 0.846 540 D CB -0.431 nan 40.800 nan 0.000 0.962 540 D HN 0.452 nan 8.370 nan 0.000 0.490 541 L N 0.292 121.513 121.223 -0.003 0.000 2.056 541 L HA -0.023 4.320 4.340 0.005 0.000 0.207 541 L C 2.608 179.494 176.870 0.027 0.000 1.078 541 L CA 1.383 56.240 54.840 0.029 0.000 0.749 541 L CB -0.221 41.856 42.059 0.030 0.000 0.901 541 L HN 0.191 nan 8.230 nan 0.000 0.433 542 V N 0.410 120.326 119.914 0.003 0.000 2.594 542 V HA 0.098 4.221 4.120 0.005 0.000 0.253 542 V C 1.123 177.239 176.094 0.037 0.000 1.069 542 V CA 0.929 63.243 62.300 0.023 0.000 1.082 542 V CB -1.622 30.212 31.823 0.018 0.000 0.680 542 V HN 0.731 nan 8.190 nan 0.000 0.469 543 G N -1.230 107.581 108.800 0.018 0.000 3.421 543 G HA2 -0.163 3.800 3.960 0.005 0.000 0.686 543 G HA3 -0.163 3.800 3.960 0.005 0.000 0.686 543 G C -0.164 174.796 174.900 0.100 0.000 1.056 543 G CA -0.286 44.874 45.100 0.101 0.000 0.891 543 G HN 0.060 nan 8.290 nan 0.000 0.514 544 F N 1.932 121.921 119.950 0.065 0.000 2.147 544 F HA -0.111 4.419 4.527 0.004 0.000 0.301 544 F C 2.870 178.706 175.800 0.061 0.000 1.084 544 F CA 2.784 60.823 58.000 0.065 0.000 1.268 544 F CB -0.389 38.646 39.000 0.058 0.000 1.009 544 F HN 0.674 nan 8.300 nan 0.000 0.486 545 G N -0.438 108.507 108.800 0.242 0.000 2.422 545 G HA2 -0.161 3.801 3.960 0.005 0.000 0.218 545 G HA3 -0.161 3.801 3.960 0.005 0.000 0.218 545 G C 1.739 176.708 174.900 0.114 0.000 1.146 545 G CA 1.209 46.399 45.100 0.151 0.000 0.769 545 G HN 0.295 nan 8.290 nan 0.000 0.547 546 V N 1.243 121.220 119.914 0.106 0.000 2.302 546 V HA 0.029 4.152 4.120 0.005 0.000 0.243 546 V C 3.277 179.425 176.094 0.091 0.000 1.036 546 V CA 1.701 64.055 62.300 0.091 0.000 1.020 546 V CB -0.784 31.091 31.823 0.087 0.000 0.657 546 V HN 0.431 nan 8.190 nan 0.000 0.453 547 A N -0.327 122.537 122.820 0.073 0.000 1.940 547 A HA -0.219 4.104 4.320 0.005 0.000 0.219 547 A C 2.231 179.873 177.584 0.097 0.000 1.176 547 A CA 2.166 54.244 52.037 0.068 0.000 0.631 547 A CB -0.565 18.427 19.000 -0.013 0.000 0.814 547 A HN 0.515 nan 8.150 nan 0.000 0.446 548 I N -1.309 119.321 120.570 0.100 0.000 2.876 548 I HA -0.043 4.130 4.170 0.005 0.000 0.264 548 I C 2.438 178.605 176.117 0.083 0.000 1.204 548 I CA 0.892 62.254 61.300 0.103 0.000 1.485 548 I CB -0.029 38.041 38.000 0.118 0.000 1.103 548 I HN 0.327 nan 8.210 nan 0.000 0.446 549 A N 0.128 122.994 122.820 0.077 0.000 1.970 549 A HA -0.135 4.187 4.320 0.005 0.000 0.216 549 A C 2.214 179.819 177.584 0.035 0.000 1.170 549 A CA 1.716 53.783 52.037 0.049 0.000 0.645 549 A CB -0.878 18.151 19.000 0.049 0.000 0.816 549 A HN 0.499 nan 8.150 nan 0.000 0.447 550 T N -2.960 111.641 114.554 0.078 0.000 3.067 550 T HA 0.343 4.696 4.350 0.005 0.000 0.261 550 T C 1.727 176.526 174.700 0.164 0.000 1.110 550 T CA 1.000 63.157 62.100 0.095 0.000 1.113 550 T CB -0.003 68.970 68.868 0.174 0.000 0.917 550 T HN 0.401 nan 8.240 nan 0.000 0.499 551 A N 1.748 124.686 122.820 0.195 0.000 1.975 551 A HA 0.112 4.434 4.320 0.005 0.000 0.215 551 A C 2.489 180.161 177.584 0.147 0.000 1.170 551 A CA 1.330 53.543 52.037 0.294 0.000 0.656 551 A CB -1.195 17.940 19.000 0.225 0.000 0.821 551 A HN 0.477 nan 8.150 nan 0.000 0.449 552 T N -0.002 114.570 114.554 0.030 0.000 2.699 552 T HA -0.271 4.082 4.350 0.005 0.000 0.268 552 T C 1.996 176.609 174.700 -0.145 0.000 1.036 552 T CA 1.763 63.839 62.100 -0.039 0.000 1.147 552 T CB -0.323 68.518 68.868 -0.046 0.000 0.862 552 T HN 0.658 nan 8.240 nan 0.000 0.446 553 Q N -0.115 119.510 119.800 -0.290 0.000 2.112 553 Q HA -0.163 4.180 4.340 0.005 0.000 0.206 553 Q C 1.810 177.464 176.000 -0.577 0.000 0.987 553 Q CA 1.806 57.295 55.803 -0.524 0.000 0.858 553 Q CB -0.253 27.993 28.738 -0.819 0.000 0.905 553 Q HN 0.647 nan 8.270 nan 0.000 0.420 554 F N -0.394 119.421 119.950 -0.225 0.000 2.335 554 F HA 0.030 4.560 4.527 0.005 0.000 0.296 554 F C 1.981 177.652 175.800 -0.215 0.000 1.091 554 F CA 0.278 58.093 58.000 -0.307 0.000 1.399 554 F CB -0.071 38.449 39.000 -0.801 0.000 1.067 554 F HN 0.028 nan 8.300 nan 0.000 0.520 555 I N 0.386 120.963 120.570 0.012 0.000 2.335 555 I HA -0.260 3.913 4.170 0.005 0.000 0.251 555 I C 1.770 177.865 176.117 -0.037 0.000 1.129 555 I CA 1.634 62.945 61.300 0.018 0.000 1.402 555 I CB -0.426 37.582 38.000 0.015 0.000 1.069 555 I HN 0.262 nan 8.210 nan 0.000 0.424 556 E N 0.100 120.231 120.200 -0.114 0.000 2.340 556 E HA -0.019 4.334 4.350 0.005 0.000 0.194 556 E C 1.298 177.769 176.600 -0.214 0.000 0.996 556 E CA 0.273 56.590 56.400 -0.140 0.000 0.869 556 E CB 0.176 29.788 29.700 -0.148 0.000 0.835 556 E HN 0.440 nan 8.360 nan 0.000 0.493 557 N N -0.406 118.080 118.700 -0.357 0.000 2.294 557 N HA 0.088 4.831 4.740 0.005 0.000 0.186 557 N C -0.237 174.782 175.510 -0.818 0.000 1.107 557 N CA 0.430 53.098 53.050 -0.637 0.000 0.884 557 N CB 0.648 38.593 38.487 -0.902 0.000 1.030 557 N HN 0.053 nan 8.380 nan 0.000 0.482 558 F N 0.293 120.234 119.950 -0.016 0.000 2.619 558 F HA 0.214 4.744 4.527 0.005 0.000 0.382 558 F C 1.522 177.355 175.800 0.054 0.000 1.466 558 F CA -0.559 57.460 58.000 0.032 0.000 1.137 558 F CB 0.278 39.316 39.000 0.063 0.000 1.205 558 F HN -0.148 nan 8.300 nan 0.000 0.525 559 S N -0.443 115.335 115.700 0.130 0.000 2.372 559 S HA -0.294 4.179 4.470 0.005 0.000 0.227 559 S C 1.828 176.520 174.600 0.154 0.000 1.044 559 S CA 1.845 60.113 58.200 0.113 0.000 1.050 559 S CB -0.646 62.587 63.200 0.054 0.000 0.901 559 S HN 0.546 nan 8.310 nan 0.000 0.447 560 E N 0.977 121.268 120.200 0.153 0.000 2.485 560 E HA 0.184 4.537 4.350 0.005 0.000 0.194 560 E C 1.652 178.354 176.600 0.170 0.000 1.098 560 E CA 0.358 56.845 56.400 0.145 0.000 0.878 560 E CB -0.628 29.142 29.700 0.117 0.000 0.939 560 E HN 0.787 nan 8.360 nan 0.000 0.503 561 R N -0.788 119.846 120.500 0.224 0.000 2.538 561 R HA 0.146 4.488 4.340 0.005 0.000 0.372 561 R C 0.294 176.828 176.300 0.389 0.000 0.950 561 R CA 0.728 56.952 56.100 0.206 0.000 1.168 561 R CB 1.450 31.838 30.300 0.146 0.000 1.542 561 R HN 0.349 nan 8.270 nan 0.000 0.536 562 T N -2.974 111.834 114.554 0.423 0.000 2.930 562 T HA 0.438 4.790 4.350 0.005 0.000 0.290 562 T C -1.258 173.662 174.700 0.366 0.000 1.052 562 T CA -0.661 61.735 62.100 0.492 0.000 1.017 562 T CB 2.084 71.161 68.868 0.349 0.000 1.137 562 T HN 0.073 nan 8.240 nan 0.000 0.511 563 Y N 0.220 120.602 120.300 0.137 0.000 2.327 563 Y HA 0.543 5.096 4.550 0.005 0.000 0.325 563 Y C -0.131 175.802 175.900 0.055 0.000 0.999 563 Y CA -0.845 57.259 58.100 0.007 0.000 1.195 563 Y CB 0.683 39.024 38.460 -0.198 0.000 1.132 563 Y HN 1.022 nan 8.280 nan 0.000 0.455 564 K N 3.826 123.989 120.400 -0.395 0.000 2.150 564 K HA 0.427 4.750 4.320 0.005 0.000 0.261 564 K C 0.100 176.417 176.600 -0.472 0.000 1.127 564 K CA 0.092 56.206 56.287 -0.288 0.000 0.989 564 K CB 0.274 32.676 32.500 -0.163 0.000 1.475 564 K HN 0.646 nan 8.250 nan 0.000 0.391 565 S N 2.008 117.538 115.700 -0.285 0.000 2.510 565 S HA 0.209 4.682 4.470 0.005 0.000 0.279 565 S C 1.065 175.657 174.600 -0.014 0.000 1.284 565 S CA -0.474 57.674 58.200 -0.088 0.000 1.059 565 S CB 0.331 63.662 63.200 0.219 0.000 0.901 565 S HN 0.596 nan 8.310 nan 0.000 0.491 566 M N 6.194 125.788 119.600 -0.011 0.000 2.659 566 M HA 0.248 4.730 4.480 0.005 0.000 0.243 566 M C 1.110 177.442 176.300 0.052 0.000 1.111 566 M CA 0.732 56.040 55.300 0.013 0.000 1.070 566 M CB -0.529 32.072 32.600 0.002 0.000 1.525 566 M HN 0.806 nan 8.290 nan 0.000 0.517 567 I N -0.742 119.879 120.570 0.085 0.000 2.099 567 I HA -0.377 3.796 4.170 0.005 0.000 0.239 567 I C 2.063 178.256 176.117 0.126 0.000 1.066 567 I CA 1.565 62.927 61.300 0.103 0.000 1.324 567 I CB -0.515 37.567 38.000 0.136 0.000 1.037 567 I HN 0.257 nan 8.210 nan 0.000 0.401 568 I N 0.563 121.245 120.570 0.187 0.000 2.127 568 I HA -0.222 3.950 4.170 0.005 0.000 0.241 568 I C -0.332 175.872 176.117 0.144 0.000 1.075 568 I CA 1.852 63.318 61.300 0.277 0.000 1.334 568 I CB -1.784 36.431 38.000 0.358 0.000 1.040 568 I HN 0.158 nan 8.210 nan 0.000 0.405 569 P HA -0.182 nan 4.420 nan 0.000 0.215 569 P C 1.951 179.262 177.300 0.017 0.000 1.157 569 P CA 1.557 64.689 63.100 0.053 0.000 0.874 569 P CB -0.048 31.676 31.700 0.040 0.000 0.790 570 L N -2.265 118.968 121.223 0.018 0.000 2.187 570 L HA -0.164 4.178 4.340 0.005 0.000 0.213 570 L C 2.476 179.329 176.870 -0.029 0.000 1.100 570 L CA 1.440 56.279 54.840 -0.001 0.000 0.765 570 L CB -0.694 41.370 42.059 0.008 0.000 0.904 570 L HN 0.022 nan 8.230 nan 0.000 0.437 571 M N -1.437 118.132 119.600 -0.050 0.000 2.236 571 M HA -0.156 4.327 4.480 0.005 0.000 0.266 571 M C 2.237 178.430 176.300 -0.178 0.000 1.070 571 M CA 1.430 56.650 55.300 -0.135 0.000 1.137 571 M CB -0.249 32.215 32.600 -0.226 0.000 1.378 571 M HN 0.216 nan 8.290 nan 0.000 0.426 572 Q N 0.812 120.524 119.800 -0.146 0.000 2.084 572 Q HA -0.208 4.135 4.340 0.005 0.000 0.202 572 Q C 1.842 177.803 176.000 -0.066 0.000 0.978 572 Q CA 1.763 57.498 55.803 -0.114 0.000 0.844 572 Q CB -0.284 28.432 28.738 -0.036 0.000 0.898 572 Q HN 0.642 nan 8.270 nan 0.000 0.426 573 E N 0.418 120.592 120.200 -0.042 0.000 2.338 573 E HA -0.177 4.176 4.350 0.005 0.000 0.197 573 E C 0.224 176.804 176.600 -0.033 0.000 1.007 573 E CA 1.096 57.480 56.400 -0.027 0.000 0.849 573 E CB 0.092 29.782 29.700 -0.016 0.000 0.774 573 E HN 0.208 nan 8.360 nan 0.000 0.506 574 D N 0.741 121.111 120.400 -0.050 0.000 2.424 574 D HA 0.183 4.826 4.640 0.005 0.000 0.220 574 D C 0.244 176.508 176.300 -0.060 0.000 1.150 574 D CA 0.942 54.914 54.000 -0.047 0.000 0.831 574 D CB 0.839 41.612 40.800 -0.046 0.000 0.981 574 D HN 0.372 nan 8.370 nan 0.000 0.500 598 P HA 1.024 nan 4.420 nan 0.000 0.299 598 P C -0.357 176.969 177.300 0.044 0.000 1.323 598 P CA 0.749 63.882 63.100 0.055 0.000 0.896 598 P CB 1.321 nan 31.700 nan 0.000 1.081 599 E N -1.039 119.181 120.200 0.033 0.000 2.445 599 E HA 0.829 5.181 4.350 0.005 0.000 0.273 599 E C 0.424 177.003 176.600 -0.035 0.000 0.961 599 E CA -0.088 56.307 56.400 -0.008 0.000 0.807 599 E CB 0.629 nan 29.700 nan 0.000 1.362 599 E HN 1.679 nan 8.360 nan 0.000 0.453 600 L N -0.453 120.665 121.223 -0.175 0.000 2.529 600 L HA 0.666 5.008 4.340 0.005 0.000 0.287 600 L C 0.868 177.655 176.870 -0.139 0.000 1.241 600 L CA 0.430 55.040 54.840 -0.384 0.000 0.857 600 L CB -1.372 40.308 42.059 -0.632 0.000 1.113 600 L HN 1.462 nan 8.230 nan 0.000 0.504 601 K N 2.363 122.752 120.400 -0.018 0.000 2.425 601 K HA 0.664 4.987 4.320 0.005 0.000 0.259 601 K C 0.835 177.459 176.600 0.040 0.000 0.978 601 K CA -0.041 56.276 56.287 0.050 0.000 0.883 601 K CB 0.472 33.042 32.500 0.116 0.000 1.110 601 K HN 1.753 nan 8.250 nan 0.000 0.436 602 K N -0.110 120.290 120.400 0.001 0.000 2.555 602 K HA 0.180 4.503 4.320 0.005 0.000 0.193 602 K C 1.396 178.004 176.600 0.013 0.000 1.032 602 K CA 1.722 58.009 56.287 -0.001 0.000 1.004 602 K CB -1.150 31.340 32.500 -0.016 0.000 0.804 602 K HN 1.466 nan 8.250 nan 0.000 0.496 603 Y N -1.785 118.528 120.300 0.023 0.000 2.636 603 Y HA 0.589 5.142 4.550 0.005 0.000 0.260 603 Y C 2.198 178.111 175.900 0.022 0.000 1.177 603 Y CA 0.225 58.335 58.100 0.016 0.000 1.209 603 Y CB -0.723 37.742 38.460 0.008 0.000 1.166 603 Y HN 0.385 nan 8.280 nan 0.000 0.531 604 I N -0.555 120.040 120.570 0.042 0.000 2.867 604 I HA 0.194 4.366 4.170 0.005 0.000 0.265 604 I C 2.003 178.124 176.117 0.006 0.000 1.162 604 I CA 1.951 63.270 61.300 0.032 0.000 1.471 604 I CB -1.247 36.791 38.000 0.063 0.000 1.123 604 I HN 0.512 nan 8.210 nan 0.000 0.440 605 E N 1.448 121.657 120.200 0.015 0.000 2.097 605 E HA -0.297 4.056 4.350 0.005 0.000 0.196 605 E C 2.413 179.009 176.600 -0.008 0.000 1.000 605 E CA 2.642 59.041 56.400 -0.002 0.000 0.804 605 E CB -1.330 28.373 29.700 0.005 0.000 0.740 605 E HN 0.991 nan 8.360 nan 0.000 0.454 606 K N 0.035 120.434 120.400 -0.003 0.000 2.283 606 K HA 0.488 4.811 4.320 0.005 0.000 0.202 606 K C 2.544 179.142 176.600 -0.004 0.000 1.048 606 K CA 1.460 57.745 56.287 -0.004 0.000 0.948 606 K CB -0.671 31.828 32.500 -0.003 0.000 0.742 606 K HN 0.753 nan 8.250 nan 0.000 0.458 607 A N 0.971 123.789 122.820 -0.004 0.000 1.874 607 A HA 0.152 4.474 4.320 0.005 0.000 0.214 607 A C 2.699 180.284 177.584 0.002 0.000 1.189 607 A CA 1.949 53.985 52.037 -0.001 0.000 0.615 607 A CB -0.634 18.366 19.000 -0.001 0.000 0.830 607 A HN 0.634 nan 8.150 nan 0.000 0.443 608 R N -0.498 119.997 120.500 -0.009 0.000 2.081 608 R HA -0.001 4.342 4.340 0.005 0.000 0.235 608 R C 2.666 178.965 176.300 -0.003 0.000 1.131 608 R CA 2.428 58.523 56.100 -0.009 0.000 0.960 608 R CB -1.958 28.316 30.300 -0.044 0.000 0.856 608 R HN 0.851 nan 8.270 nan 0.000 0.436 609 S N 0.885 116.580 115.700 -0.008 0.000 2.370 609 S HA 0.059 4.532 4.470 0.005 0.000 0.226 609 S C 2.569 177.172 174.600 0.005 0.000 1.033 609 S CA 2.857 61.054 58.200 -0.005 0.000 1.011 609 S CB -0.894 62.301 63.200 -0.007 0.000 0.852 609 S HN 1.171 nan 8.310 nan 0.000 0.457 610 I N 0.689 121.263 120.570 0.006 0.000 2.335 610 I HA 0.245 4.418 4.170 0.005 0.000 0.251 610 I C 2.630 178.758 176.117 0.017 0.000 1.129 610 I CA 2.314 63.620 61.300 0.009 0.000 1.402 610 I CB -1.894 36.110 38.000 0.006 0.000 1.069 610 I HN 0.634 nan 8.210 nan 0.000 0.424 611 S N 1.255 116.969 115.700 0.024 0.000 2.754 611 S HA 0.464 4.936 4.470 0.005 0.000 0.223 611 S C 1.536 176.167 174.600 0.051 0.000 0.951 611 S CA 0.360 58.583 58.200 0.039 0.000 0.954 611 S CB -1.213 62.019 63.200 0.053 0.000 0.780 611 S HN 1.296 nan 8.310 nan 0.000 0.509 612 G N 0.397 109.219 108.800 0.036 0.000 2.563 612 G HA2 0.461 4.424 3.960 0.005 0.000 0.295 612 G HA3 0.461 4.424 3.960 0.005 0.000 0.295 612 G C 0.730 175.661 174.900 0.051 0.000 0.874 612 G CA 0.427 45.549 45.100 0.037 0.000 1.642 612 G HN 0.775 nan 8.290 nan 0.000 0.483 613 V N 0.619 120.583 119.914 0.083 0.000 3.212 613 V HA 0.599 4.722 4.120 0.005 0.000 0.244 613 V C 1.614 177.776 176.094 0.112 0.000 1.151 613 V CA 1.767 64.125 62.300 0.096 0.000 1.119 613 V CB -0.938 30.955 31.823 0.117 0.000 0.838 613 V HN 0.794 nan 8.190 nan 0.000 0.470 614 K N -0.801 119.674 120.400 0.125 0.000 2.177 614 K HA 0.926 5.248 4.320 0.005 0.000 0.238 614 K C 0.059 176.682 176.600 0.039 0.000 1.015 614 K CA 0.246 56.595 56.287 0.103 0.000 0.922 614 K CB 0.377 32.944 32.500 0.111 0.000 1.127 614 K HN 1.574 nan 8.250 nan 0.000 0.469 615 L N -0.948 120.291 121.223 0.027 0.000 2.891 615 L HA 0.785 5.128 4.340 0.005 0.000 0.216 615 L C 0.763 177.609 176.870 -0.040 0.000 1.209 615 L CA 0.163 55.004 54.840 0.002 0.000 0.957 615 L CB -0.245 41.823 42.059 0.015 0.000 1.876 615 L HN 1.164 nan 8.230 nan 0.000 0.532 616 D N -0.299 120.080 120.400 -0.035 0.000 2.375 616 D HA 0.607 5.250 4.640 0.005 0.000 0.259 616 D C -2.271 174.006 176.300 -0.038 0.000 1.235 616 D CA -0.819 53.147 54.000 -0.058 0.000 0.924 616 D CB 0.338 41.108 40.800 -0.051 0.000 1.143 616 D HN 0.768 nan 8.370 nan 0.000 0.529 617 P HA 0.500 nan 4.420 nan 0.000 0.329 617 P C 1.074 178.367 177.300 -0.013 0.000 1.319 617 P CA -0.021 63.079 63.100 0.001 0.000 0.742 617 P CB 0.506 32.245 31.700 0.065 0.000 1.564 618 K N -0.391 120.014 120.400 0.009 0.000 2.684 618 K HA 0.153 4.475 4.320 0.005 0.000 0.215 618 K C 1.050 177.638 176.600 -0.021 0.000 1.073 618 K CA 0.187 56.471 56.287 -0.004 0.000 1.197 618 K CB -1.548 30.959 32.500 0.011 0.000 0.955 618 K HN 0.175 nan 8.250 nan 0.000 0.473 619 L N 0.074 121.264 121.223 -0.054 0.000 2.552 619 L HA 0.241 4.584 4.340 0.005 0.000 0.227 619 L C 1.327 178.132 176.870 -0.108 0.000 1.146 619 L CA 0.426 55.196 54.840 -0.116 0.000 0.858 619 L CB -0.275 41.661 42.059 -0.205 0.000 0.969 619 L HN 0.453 nan 8.230 nan 0.000 0.451 620 A N -0.379 122.393 122.820 -0.080 0.000 2.289 620 A HA 0.582 4.905 4.320 0.005 0.000 0.298 620 A C 0.985 178.545 177.584 -0.039 0.000 1.208 620 A CA 0.502 52.501 52.037 -0.063 0.000 0.845 620 A CB -0.263 18.701 19.000 -0.059 0.000 1.125 620 A HN 0.515 nan 8.150 nan 0.000 0.517 621 N N -1.205 117.477 118.700 -0.031 0.000 3.049 621 N HA 0.215 4.958 4.740 0.005 0.000 0.226 621 N C 0.482 175.984 175.510 -0.014 0.000 0.952 621 N CA 0.791 53.832 53.050 -0.016 0.000 0.986 621 N CB -2.525 nan 38.487 nan 0.000 1.073 621 N HN 2.333 nan 8.380 nan 0.000 0.553 622 L N 0.233 121.439 121.223 -0.027 0.000 2.467 622 L HA 0.878 5.221 4.340 0.005 0.000 0.270 622 L C 1.299 178.165 176.870 -0.007 0.000 1.205 622 L CA 0.480 55.305 54.840 -0.026 0.000 0.828 622 L CB 0.409 42.430 42.059 -0.063 0.000 1.101 622 L HN 1.458 nan 8.230 nan 0.000 0.479 623 S N -0.525 115.179 115.700 0.007 0.000 2.603 623 S HA 0.182 4.654 4.470 0.005 0.000 0.268 623 S C 1.172 175.787 174.600 0.025 0.000 1.317 623 S CA 0.399 58.613 58.200 0.023 0.000 1.012 623 S CB 0.375 63.597 63.200 0.036 0.000 0.926 623 S HN 0.856 nan 8.310 nan 0.000 0.539 624 E N 1.715 121.938 120.200 0.039 0.000 2.118 624 E HA -0.199 4.153 4.350 0.005 0.000 0.195 624 E C 1.874 178.504 176.600 0.052 0.000 0.992 624 E CA 1.161 57.591 56.400 0.050 0.000 0.804 624 E CB -0.075 29.666 29.700 0.067 0.000 0.741 624 E HN 0.663 nan 8.360 nan 0.000 0.458 625 K N 0.902 121.339 120.400 0.062 0.000 2.057 625 K HA -0.201 4.121 4.320 0.005 0.000 0.207 625 K C 1.436 178.066 176.600 0.050 0.000 1.049 625 K CA 1.788 58.119 56.287 0.073 0.000 0.931 625 K CB 0.108 32.662 32.500 0.091 0.000 0.714 625 K HN -0.020 nan 8.250 nan 0.000 0.440 626 D N 0.845 121.266 120.400 0.035 0.000 2.117 626 D HA -0.116 4.526 4.640 0.005 0.000 0.198 626 D C 1.997 178.256 176.300 -0.067 0.000 0.982 626 D CA 0.991 54.993 54.000 0.002 0.000 0.828 626 D CB -0.147 40.652 40.800 -0.002 0.000 0.967 626 D HN 0.276 nan 8.370 nan 0.000 0.464 627 I N 0.858 121.401 120.570 -0.045 0.000 2.118 627 I HA -0.280 3.893 4.170 0.005 0.000 0.241 627 I C 2.424 178.529 176.117 -0.020 0.000 1.070 627 I CA 0.974 62.242 61.300 -0.052 0.000 1.327 627 I CB -0.217 37.778 38.000 -0.009 0.000 1.034 627 I HN -0.033 nan 8.210 nan 0.000 0.405 628 I N 0.425 121.008 120.570 0.022 0.000 2.163 628 I HA -0.317 3.856 4.170 0.005 0.000 0.243 628 I C 2.495 178.714 176.117 0.170 0.000 1.085 628 I CA 1.613 62.961 61.300 0.080 0.000 1.347 628 I CB -0.468 37.430 38.000 -0.170 0.000 1.044 628 I HN 0.273 nan 8.210 nan 0.000 0.408 629 E N 0.309 120.526 120.200 0.028 0.000 2.153 629 E HA -0.198 4.154 4.350 0.005 0.000 0.194 629 E C 2.209 178.761 176.600 -0.080 0.000 0.988 629 E CA 1.214 57.511 56.400 -0.171 0.000 0.811 629 E CB -0.067 29.472 29.700 -0.269 0.000 0.746 629 E HN 0.538 nan 8.360 nan 0.000 0.466 630 M N -0.302 119.182 119.600 -0.193 0.000 2.558 630 M HA -0.018 4.465 4.480 0.005 0.000 0.255 630 M C 1.556 177.838 176.300 -0.030 0.000 1.113 630 M CA 0.832 55.873 55.300 -0.432 0.000 1.097 630 M CB 0.345 32.481 32.600 -0.773 0.000 1.426 630 M HN -0.036 nan 8.290 nan 0.000 0.488 631 T N -0.868 113.700 114.554 0.023 0.000 3.015 631 T HA 0.130 4.483 4.350 0.005 0.000 0.250 631 T C 1.032 175.711 174.700 -0.034 0.000 1.057 631 T CA 0.649 62.715 62.100 -0.057 0.000 1.066 631 T CB 0.157 68.892 68.868 -0.222 0.000 0.959 631 T HN 0.189 nan 8.240 nan 0.000 0.488 632 F N -0.542 119.591 119.950 0.305 0.000 2.602 632 F HA 0.373 4.903 4.527 0.005 0.000 0.284 632 F C 1.437 177.581 175.800 0.572 0.000 1.111 632 F CA -0.446 57.801 58.000 0.412 0.000 1.405 632 F CB -0.027 39.200 39.000 0.379 0.000 1.121 632 F HN 0.036 nan 8.300 nan 0.000 0.603 633 F N 1.183 121.440 119.950 0.512 0.000 2.171 633 F HA -0.049 4.481 4.527 0.004 0.000 0.300 633 F C -0.514 175.434 175.800 0.246 0.000 1.090 633 F CA 0.677 58.922 58.000 0.408 0.000 1.293 633 F CB -2.411 36.878 39.000 0.483 0.000 1.013 633 F HN -0.065 nan 8.300 nan 0.000 0.486 634 P HA -0.103 nan 4.420 nan 0.000 0.220 634 P C 2.062 179.290 177.300 -0.120 0.000 1.148 634 P CA 1.088 64.218 63.100 0.050 0.000 0.803 634 P CB 0.051 31.718 31.700 -0.054 0.000 0.782 635 V N -0.633 119.250 119.914 -0.052 0.000 2.379 635 V HA -0.172 3.951 4.120 0.005 0.000 0.245 635 V C 2.441 178.446 176.094 -0.149 0.000 1.044 635 V CA 1.534 63.706 62.300 -0.213 0.000 1.036 635 V CB -1.102 30.558 31.823 -0.271 0.000 0.664 635 V HN -0.039 nan 8.190 nan 0.000 0.453 636 V N 0.781 120.708 119.914 0.021 0.000 2.287 636 V HA -0.305 3.817 4.120 0.005 0.000 0.248 636 V C 2.437 178.512 176.094 -0.032 0.000 1.053 636 V CA 2.462 64.762 62.300 -0.000 0.000 1.027 636 V CB -0.986 30.837 31.823 0.001 0.000 0.646 636 V HN 0.618 nan 8.190 nan 0.000 0.447 637 N N 0.194 118.882 118.700 -0.021 0.000 2.094 637 N HA -0.229 4.514 4.740 0.005 0.000 0.191 637 N C 1.836 177.294 175.510 -0.086 0.000 1.023 637 N CA 2.032 55.065 53.050 -0.028 0.000 0.857 637 N CB -0.197 38.269 38.487 -0.037 0.000 1.013 637 N HN 0.550 nan 8.380 nan 0.000 0.426 638 E N -0.164 119.928 120.200 -0.181 0.000 2.112 638 E HA 0.140 4.493 4.350 0.005 0.000 0.190 638 E C 1.766 178.274 176.600 -0.154 0.000 0.979 638 E CA 1.082 57.344 56.400 -0.228 0.000 0.814 638 E CB -0.508 28.959 29.700 -0.387 0.000 0.762 638 E HN 0.374 nan 8.360 nan 0.000 0.460 639 A N -0.139 122.595 122.820 -0.144 0.000 1.940 639 A HA -0.219 4.104 4.320 0.005 0.000 0.219 639 A C 2.476 180.039 177.584 -0.036 0.000 1.176 639 A CA 1.580 53.558 52.037 -0.099 0.000 0.631 639 A CB -0.996 17.931 19.000 -0.122 0.000 0.814 639 A HN 0.490 nan 8.150 nan 0.000 0.446 640 C N -1.154 118.142 119.300 -0.006 0.000 2.457 640 C HA -0.022 4.441 4.460 0.005 0.000 0.278 640 C C 2.835 177.749 174.990 -0.127 0.000 1.309 640 C CA 0.821 59.855 59.018 0.027 0.000 1.735 640 C CB -1.238 26.675 27.740 0.289 0.000 1.992 640 C HN 0.610 nan 8.230 nan 0.000 0.493 641 R N 0.432 120.891 120.500 -0.069 0.000 2.083 641 R HA -0.130 4.212 4.340 0.005 0.000 0.237 641 R C 2.111 178.351 176.300 -0.100 0.000 1.137 641 R CA 1.458 57.505 56.100 -0.089 0.000 0.951 641 R CB -0.753 29.492 30.300 -0.092 0.000 0.851 641 R HN 0.390 nan 8.270 nan 0.000 0.434 642 V N 0.847 120.725 119.914 -0.060 0.000 2.332 642 V HA -0.255 3.867 4.120 0.005 0.000 0.248 642 V C 2.007 178.101 176.094 -0.000 0.000 1.055 642 V CA 1.798 64.093 62.300 -0.009 0.000 1.038 642 V CB -0.555 31.282 31.823 0.024 0.000 0.651 642 V HN 0.220 nan 8.190 nan 0.000 0.450 643 F N 1.297 121.116 119.950 -0.218 0.000 2.146 643 F HA -0.021 4.508 4.527 0.004 0.000 0.298 643 F C 2.206 177.782 175.800 -0.374 0.000 1.096 643 F CA 1.135 58.973 58.000 -0.271 0.000 1.275 643 F CB -0.684 38.128 39.000 -0.313 0.000 1.008 643 F HN 0.075 nan 8.300 nan 0.000 0.480 644 A N 0.102 122.517 122.820 -0.675 0.000 1.898 644 A HA -0.152 4.171 4.320 0.005 0.000 0.216 644 A C 2.063 179.427 177.584 -0.366 0.000 1.181 644 A CA 1.538 53.141 52.037 -0.724 0.000 0.620 644 A CB -0.882 17.740 19.000 -0.629 0.000 0.819 644 A HN 0.498 nan 8.150 nan 0.000 0.442 645 E N -1.350 118.718 120.200 -0.222 0.000 2.401 645 E HA 0.112 4.464 4.350 0.005 0.000 0.199 645 E C 1.214 177.750 176.600 -0.107 0.000 1.023 645 E CA 0.375 56.706 56.400 -0.114 0.000 0.859 645 E CB -0.238 29.435 29.700 -0.045 0.000 0.780 645 E HN 0.795 nan 8.360 nan 0.000 0.523 646 G N 0.775 109.481 108.800 -0.157 0.000 2.157 646 G HA2 -0.270 3.693 3.960 0.005 0.000 0.248 646 G HA3 -0.270 3.693 3.960 0.005 0.000 0.248 646 G C 0.900 175.780 174.900 -0.033 0.000 0.979 646 G CA 0.253 45.285 45.100 -0.114 0.000 0.650 646 G HN 0.215 nan 8.290 nan 0.000 0.529 647 I N 0.973 121.540 120.570 -0.005 0.000 2.264 647 I HA 0.066 4.239 4.170 0.005 0.000 0.248 647 I C 1.950 178.106 176.117 0.065 0.000 1.111 647 I CA 1.780 63.108 61.300 0.046 0.000 1.382 647 I CB -1.305 36.740 38.000 0.076 0.000 1.060 647 I HN 0.597 nan 8.210 nan 0.000 0.418 648 A N -0.089 122.782 122.820 0.086 0.000 2.317 648 A HA 0.471 4.793 4.320 0.005 0.000 0.327 648 A C 1.090 178.761 177.584 0.145 0.000 1.178 648 A CA -0.471 51.639 52.037 0.121 0.000 0.817 648 A CB 1.663 20.754 19.000 0.151 0.000 1.189 648 A HN -0.036 nan 8.150 nan 0.000 0.489 649 V N 1.553 121.534 119.914 0.112 0.000 2.343 649 V HA -0.071 4.051 4.120 0.005 0.000 0.247 649 V C 1.008 177.220 176.094 0.196 0.000 1.051 649 V CA 2.453 64.816 62.300 0.106 0.000 1.036 649 V CB -0.890 30.972 31.823 0.066 0.000 0.654 649 V HN 0.953 nan 8.190 nan 0.000 0.451 650 K N -2.200 118.326 120.400 0.210 0.000 2.551 650 K HA 0.663 4.986 4.320 0.005 0.000 0.269 650 K C 0.454 177.032 176.600 -0.036 0.000 0.949 650 K CA -0.057 56.361 56.287 0.220 0.000 0.849 650 K CB 1.841 34.411 32.500 0.116 0.000 1.411 650 K HN -0.131 nan 8.250 nan 0.000 0.432 651 A N 1.733 124.307 122.820 -0.410 0.000 1.917 651 A HA -0.203 4.120 4.320 0.005 0.000 0.219 651 A C 2.227 179.707 177.584 -0.174 0.000 1.182 651 A CA 2.516 54.199 52.037 -0.590 0.000 0.633 651 A CB -1.176 17.440 19.000 -0.639 0.000 0.819 651 A HN 0.921 nan 8.150 nan 0.000 0.448 652 A N -0.556 122.241 122.820 -0.039 0.000 2.076 652 A HA -0.169 4.154 4.320 0.005 0.000 0.220 652 A C 1.682 179.266 177.584 -0.001 0.000 1.160 652 A CA 1.878 53.939 52.037 0.040 0.000 0.653 652 A CB -0.494 18.507 19.000 0.002 0.000 0.801 652 A HN 0.496 nan 8.150 nan 0.000 0.455 653 D N -0.038 120.354 120.400 -0.013 0.000 2.149 653 D HA -0.054 4.589 4.640 0.005 0.000 0.201 653 D C 1.941 178.242 176.300 0.001 0.000 0.972 653 D CA 0.753 54.753 54.000 -0.000 0.000 0.835 653 D CB -0.264 40.548 40.800 0.021 0.000 0.966 653 D HN 0.448 nan 8.370 nan 0.000 0.476 654 L N 0.914 122.124 121.223 -0.022 0.000 2.083 654 L HA -0.174 4.169 4.340 0.005 0.000 0.209 654 L C 1.921 178.774 176.870 -0.029 0.000 1.083 654 L CA 0.979 55.802 54.840 -0.028 0.000 0.752 654 L CB -0.337 41.673 42.059 -0.082 0.000 0.899 654 L HN -0.036 nan 8.230 nan 0.000 0.433 655 D N 0.419 120.810 120.400 -0.016 0.000 2.087 655 D HA -0.194 4.448 4.640 0.005 0.000 0.192 655 D C 2.116 178.420 176.300 0.008 0.000 0.993 655 D CA 1.326 55.330 54.000 0.006 0.000 0.828 655 D CB -0.172 40.705 40.800 0.128 0.000 0.968 655 D HN 0.139 nan 8.370 nan 0.000 0.448 656 I N 1.472 122.047 120.570 0.008 0.000 2.264 656 I HA -0.242 3.931 4.170 0.005 0.000 0.248 656 I C 2.369 178.482 176.117 -0.007 0.000 1.111 656 I CA 0.763 62.060 61.300 -0.006 0.000 1.382 656 I CB -0.718 37.269 38.000 -0.023 0.000 1.060 656 I HN -0.073 nan 8.210 nan 0.000 0.418 657 A N 0.112 122.936 122.820 0.007 0.000 1.845 657 A HA -0.120 4.203 4.320 0.005 0.000 0.215 657 A C 2.528 180.128 177.584 0.027 0.000 1.195 657 A CA 1.942 53.990 52.037 0.018 0.000 0.616 657 A CB -1.603 17.436 19.000 0.064 0.000 0.832 657 A HN 0.426 nan 8.150 nan 0.000 0.443 658 G N -0.197 108.663 108.800 0.099 0.000 2.440 658 G HA2 -0.210 3.753 3.960 0.005 0.000 0.218 658 G HA3 -0.210 3.753 3.960 0.005 0.000 0.218 658 G C 1.555 176.518 174.900 0.105 0.000 1.154 658 G CA 1.151 46.398 45.100 0.245 0.000 0.767 658 G HN 0.469 nan 8.290 nan 0.000 0.552 659 I N -0.157 120.458 120.570 0.074 0.000 2.142 659 I HA -0.151 4.022 4.170 0.005 0.000 0.240 659 I C 2.765 178.864 176.117 -0.030 0.000 1.078 659 I CA 1.425 62.765 61.300 0.068 0.000 1.343 659 I CB -0.098 37.932 38.000 0.050 0.000 1.046 659 I HN 0.195 nan 8.210 nan 0.000 0.405 660 M N -0.365 119.196 119.600 -0.064 0.000 2.541 660 M HA 0.049 4.532 4.480 0.005 0.000 0.252 660 M C 1.667 177.842 176.300 -0.207 0.000 1.125 660 M CA 0.856 56.092 55.300 -0.107 0.000 1.091 660 M CB 0.251 32.802 32.600 -0.082 0.000 1.420 660 M HN 0.237 nan 8.290 nan 0.000 0.486 661 G N -0.505 108.132 108.800 -0.272 0.000 2.673 661 G HA2 0.075 4.038 3.960 0.005 0.000 0.208 661 G HA3 0.075 4.038 3.960 0.005 0.000 0.208 661 G C 0.988 175.645 174.900 -0.405 0.000 1.128 661 G CA -0.061 44.748 45.100 -0.485 0.000 0.805 661 G HN 0.296 nan 8.290 nan 0.000 0.526 662 M N 0.855 120.226 119.600 -0.381 0.000 2.603 662 M HA 0.276 4.759 4.480 0.005 0.000 0.380 662 M C 1.269 177.378 176.300 -0.319 0.000 1.158 662 M CA 0.022 55.005 55.300 -0.529 0.000 0.921 662 M CB 0.614 32.419 32.600 -1.326 0.000 1.417 662 M HN 0.308 nan 8.290 nan 0.000 0.523 663 G N 1.907 110.599 108.800 -0.180 0.000 2.321 663 G HA2 -0.304 3.659 3.960 0.005 0.000 0.287 663 G HA3 -0.304 3.659 3.960 0.005 0.000 0.287 663 G C -0.023 174.824 174.900 -0.089 0.000 1.018 663 G CA 0.147 45.178 45.100 -0.115 0.000 0.855 663 G HN 0.545 nan 8.290 nan 0.000 0.507 664 F N 1.048 120.897 119.950 -0.168 0.000 2.572 664 F HA 0.447 4.977 4.527 0.004 0.000 0.370 664 F C -1.374 174.253 175.800 -0.287 0.000 1.103 664 F CA -1.896 56.012 58.000 -0.153 0.000 1.286 664 F CB 0.716 39.710 39.000 -0.010 0.000 1.105 664 F HN -0.012 nan 8.300 nan 0.000 0.583 665 P HA -0.024 nan 4.420 nan 0.000 0.255 665 P C -2.188 174.646 177.300 -0.778 0.000 1.173 665 P CA -0.565 61.868 63.100 -1.112 0.000 0.780 665 P CB 0.310 31.015 31.700 -1.659 0.000 0.758 666 P HA -0.196 nan 4.420 nan 0.000 0.215 666 P C 1.073 178.251 177.300 -0.204 0.000 1.153 666 P CA 1.488 64.454 63.100 -0.224 0.000 0.853 666 P CB -0.560 31.082 31.700 -0.097 0.000 0.788 667 Y N -1.223 119.043 120.300 -0.056 0.000 2.639 667 Y HA 0.034 4.587 4.550 0.005 0.000 0.297 667 Y C 1.669 177.567 175.900 -0.003 0.000 1.151 667 Y CA 0.321 58.400 58.100 -0.035 0.000 1.335 667 Y CB -1.312 37.132 38.460 -0.027 0.000 0.994 667 Y HN -0.137 nan 8.280 nan 0.000 0.548 668 R N 0.430 120.846 120.500 -0.141 0.000 2.359 668 R HA 0.261 4.603 4.340 0.005 0.000 0.231 668 R C 1.634 178.123 176.300 0.316 0.000 0.913 668 R CA 0.482 56.663 56.100 0.137 0.000 1.075 668 R CB 0.269 30.516 30.300 -0.089 0.000 1.087 668 R HN 0.651 nan 8.270 nan 0.000 0.515 669 G N 0.712 109.529 108.800 0.029 0.000 2.396 669 G HA2 -0.289 3.674 3.960 0.005 0.000 0.242 669 G HA3 -0.289 3.674 3.960 0.005 0.000 0.242 669 G C 0.442 175.393 174.900 0.084 0.000 1.069 669 G CA 0.003 44.958 45.100 -0.242 0.000 0.633 669 G HN 0.805 nan 8.290 nan 0.000 0.517 670 G N -1.510 107.444 108.800 0.257 0.000 2.362 670 G HA2 0.329 4.292 3.960 0.005 0.000 0.656 670 G HA3 0.329 4.292 3.960 0.005 0.000 0.656 670 G C 0.406 175.166 174.900 -0.234 0.000 1.376 670 G CA 0.063 45.175 45.100 0.021 0.000 0.971 670 G HN 0.879 nan 8.290 nan 0.000 0.636 671 I N 0.456 120.611 120.570 -0.691 0.000 2.248 671 I HA -0.138 4.034 4.170 0.005 0.000 0.248 671 I C 2.495 178.575 176.117 -0.063 0.000 1.107 671 I CA 1.789 62.748 61.300 -0.568 0.000 1.373 671 I CB -0.320 37.388 38.000 -0.488 0.000 1.055 671 I HN 0.552 nan 8.210 nan 0.000 0.418 672 M N -1.402 118.167 119.600 -0.051 0.000 2.325 672 M HA -0.122 4.361 4.480 0.005 0.000 0.265 672 M C 2.311 178.621 176.300 0.015 0.000 1.094 672 M CA 1.125 56.405 55.300 -0.032 0.000 1.161 672 M CB -1.405 31.130 32.600 -0.109 0.000 1.358 672 M HN 0.101 nan 8.290 nan 0.000 0.446 673 F N -0.146 119.756 119.950 -0.081 0.000 2.161 673 F HA -0.267 4.263 4.527 0.005 0.000 0.300 673 F C 2.285 178.092 175.800 0.011 0.000 1.089 673 F CA 1.629 59.548 58.000 -0.136 0.000 1.282 673 F CB -0.260 38.569 39.000 -0.284 0.000 1.010 673 F HN 0.219 nan 8.300 nan 0.000 0.485 674 W N 0.948 122.338 121.300 0.150 0.000 2.409 674 W HA -0.034 4.629 4.660 0.005 0.000 0.299 674 W C 2.312 178.836 176.519 0.008 0.000 1.203 674 W CA 2.111 59.552 57.345 0.159 0.000 1.298 674 W CB -0.848 28.820 29.460 0.347 0.000 1.127 674 W HN 0.043 nan 8.180 nan 0.000 0.528 675 A N 0.298 123.066 122.820 -0.086 0.000 1.883 675 A HA -0.255 4.068 4.320 0.005 0.000 0.217 675 A C 1.736 179.091 177.584 -0.382 0.000 1.186 675 A CA 2.260 54.083 52.037 -0.356 0.000 0.624 675 A CB -1.074 17.817 19.000 -0.181 0.000 0.822 675 A HN 0.290 nan 8.150 nan 0.000 0.444 676 D N -0.909 119.308 120.400 -0.305 0.000 2.312 676 D HA -0.041 4.601 4.640 0.005 0.000 0.211 676 D C 2.061 178.143 176.300 -0.363 0.000 0.964 676 D CA 1.163 54.975 54.000 -0.313 0.000 0.877 676 D CB -0.054 40.562 40.800 -0.307 0.000 0.924 676 D HN 0.405 nan 8.370 nan 0.000 0.515 677 S N -0.436 115.014 115.700 -0.417 0.000 2.447 677 S HA -0.006 4.466 4.470 0.005 0.000 0.233 677 S C 1.831 176.238 174.600 -0.321 0.000 1.006 677 S CA 0.467 58.457 58.200 -0.351 0.000 0.957 677 S CB 0.067 63.134 63.200 -0.221 0.000 0.773 677 S HN 0.203 nan 8.310 nan 0.000 0.507 678 I N 0.096 120.408 120.570 -0.430 0.000 3.081 678 I HA 0.297 4.470 4.170 0.005 0.000 0.274 678 I C 1.024 176.964 176.117 -0.294 0.000 1.178 678 I CA 0.521 61.573 61.300 -0.413 0.000 1.460 678 I CB 0.234 37.900 38.000 -0.558 0.000 1.137 678 I HN 0.453 nan 8.210 nan 0.000 0.443 679 G N 1.208 109.853 108.800 -0.258 0.000 3.226 679 G HA2 -0.161 3.802 3.960 0.005 0.000 0.685 679 G HA3 -0.161 3.802 3.960 0.005 0.000 0.685 679 G C 0.562 175.394 174.900 -0.115 0.000 1.207 679 G CA -0.086 44.922 45.100 -0.154 0.000 0.877 679 G HN 0.207 nan 8.290 nan 0.000 0.585 680 S N 1.683 117.311 115.700 -0.120 0.000 2.368 680 S HA -0.133 4.340 4.470 0.005 0.000 0.225 680 S C 2.094 176.680 174.600 -0.024 0.000 1.030 680 S CA 1.838 59.973 58.200 -0.108 0.000 0.999 680 S CB -0.144 62.971 63.200 -0.141 0.000 0.844 680 S HN 0.896 nan 8.310 nan 0.000 0.459 681 K N 0.089 120.487 120.400 -0.003 0.000 2.063 681 K HA -0.167 4.155 4.320 0.005 0.000 0.208 681 K C 2.083 178.744 176.600 0.102 0.000 1.048 681 K CA 1.535 57.858 56.287 0.061 0.000 0.928 681 K CB -0.404 32.114 32.500 0.031 0.000 0.713 681 K HN 0.550 nan 8.250 nan 0.000 0.442 682 Y N 1.194 121.475 120.300 -0.032 0.000 2.070 682 Y HA -0.204 4.349 4.550 0.004 0.000 0.279 682 Y C 1.839 177.734 175.900 -0.008 0.000 1.134 682 Y CA 1.905 59.991 58.100 -0.023 0.000 1.113 682 Y CB -0.183 38.264 38.460 -0.021 0.000 0.981 682 Y HN -0.020 nan 8.280 nan 0.000 0.487 683 I N -0.533 120.143 120.570 0.177 0.000 2.185 683 I HA -0.383 3.789 4.170 0.005 0.000 0.246 683 I C 2.240 178.343 176.117 -0.023 0.000 1.088 683 I CA 1.951 63.232 61.300 -0.031 0.000 1.347 683 I CB -0.699 37.031 38.000 -0.450 0.000 1.041 683 I HN 0.378 nan 8.210 nan 0.000 0.415 684 Y N 1.283 121.503 120.300 -0.133 0.000 2.089 684 Y HA -0.303 4.250 4.550 0.004 0.000 0.282 684 Y C 2.973 178.771 175.900 -0.170 0.000 1.139 684 Y CA 1.848 59.873 58.100 -0.125 0.000 1.123 684 Y CB -0.763 37.629 38.460 -0.112 0.000 0.980 684 Y HN 0.070 nan 8.280 nan 0.000 0.493 685 S N -0.292 115.205 115.700 -0.339 0.000 2.374 685 S HA -0.282 4.190 4.470 0.005 0.000 0.227 685 S C 2.252 176.520 174.600 -0.553 0.000 1.037 685 S CA 1.829 59.745 58.200 -0.473 0.000 1.024 685 S CB -0.481 62.541 63.200 -0.295 0.000 0.861 685 S HN 0.527 nan 8.310 nan 0.000 0.456 686 R N -0.041 120.087 120.500 -0.620 0.000 2.093 686 R HA 0.198 4.541 4.340 0.005 0.000 0.224 686 R C 2.006 177.621 176.300 -1.142 0.000 1.101 686 R CA 0.917 56.472 56.100 -0.908 0.000 0.979 686 R CB -0.631 29.111 30.300 -0.930 0.000 0.877 686 R HN 0.408 nan 8.270 nan 0.000 0.441 687 L N 0.594 121.458 121.223 -0.598 0.000 2.313 687 L HA -0.003 4.340 4.340 0.005 0.000 0.214 687 L C 1.264 178.038 176.870 -0.160 0.000 1.119 687 L CA 1.687 56.379 54.840 -0.246 0.000 0.809 687 L CB -0.365 41.734 42.059 0.066 0.000 0.933 687 L HN 0.211 nan 8.230 nan 0.000 0.449 688 D N -1.052 119.142 120.400 -0.343 0.000 2.183 688 D HA -0.134 4.509 4.640 0.005 0.000 0.205 688 D C 1.995 178.183 176.300 -0.187 0.000 0.962 688 D CA 0.896 54.738 54.000 -0.263 0.000 0.849 688 D CB 0.426 40.949 40.800 -0.462 0.000 0.978 688 D HN 0.191 nan 8.370 nan 0.000 0.488 689 E N -0.559 119.452 120.200 -0.315 0.000 2.160 689 E HA -0.169 4.183 4.350 0.005 0.000 0.195 689 E C 1.937 178.544 176.600 0.011 0.000 0.991 689 E CA 1.215 57.486 56.400 -0.216 0.000 0.810 689 E CB -0.540 28.960 29.700 -0.333 0.000 0.742 689 E HN 0.611 nan 8.360 nan 0.000 0.466 690 W N 0.165 121.461 121.300 -0.006 0.000 2.453 690 W HA 0.175 4.838 4.660 0.005 0.000 0.289 690 W C 2.782 179.419 176.519 0.197 0.000 1.215 690 W CA 0.539 57.924 57.345 0.067 0.000 1.297 690 W CB -1.478 27.752 29.460 -0.384 0.000 1.113 690 W HN 0.302 nan 8.180 nan 0.000 0.551 691 S N 0.761 116.691 115.700 0.383 0.000 2.370 691 S HA -0.157 4.316 4.470 0.005 0.000 0.226 691 S C 1.415 176.135 174.600 0.200 0.000 1.033 691 S CA 1.261 59.658 58.200 0.329 0.000 1.011 691 S CB -0.219 63.106 63.200 0.208 0.000 0.852 691 S HN 0.191 nan 8.310 nan 0.000 0.457 692 K N 0.508 120.973 120.400 0.107 0.000 2.627 692 K HA 0.363 4.686 4.320 0.005 0.000 0.212 692 K C 0.479 177.069 176.600 -0.017 0.000 1.041 692 K CA 0.387 56.696 56.287 0.036 0.000 1.205 692 K CB 0.318 32.815 32.500 -0.005 0.000 0.936 692 K HN 0.352 nan 8.250 nan 0.000 0.489 693 A N -0.780 122.019 122.820 -0.035 0.000 2.709 693 A HA 0.200 4.523 4.320 0.005 0.000 0.212 693 A C 0.368 177.543 177.584 -0.682 0.000 1.280 693 A CA -0.264 51.560 52.037 -0.354 0.000 1.034 693 A CB 0.293 19.024 19.000 -0.448 0.000 1.255 693 A HN 0.324 nan 8.150 nan 0.000 0.547 694 Y N -1.180 119.220 120.300 0.166 0.000 2.472 694 Y HA 0.476 5.029 4.550 0.005 0.000 0.283 694 Y C 1.059 177.069 175.900 0.184 0.000 1.038 694 Y CA 0.067 58.292 58.100 0.208 0.000 1.126 694 Y CB 1.100 39.697 38.460 0.228 0.000 1.374 694 Y HN 0.764 nan 8.280 nan 0.000 0.576 695 G N 0.368 109.379 108.800 0.352 0.000 2.339 695 G HA2 0.245 4.208 3.960 0.005 0.000 0.381 695 G HA3 0.245 4.208 3.960 0.005 0.000 0.381 695 G C 0.085 175.142 174.900 0.262 0.000 1.400 695 G CA -0.174 45.068 45.100 0.237 0.000 1.002 695 G HN 0.042 nan 8.290 nan 0.000 0.633 696 E N -0.654 119.652 120.200 0.177 0.000 2.463 696 E HA 0.066 4.418 4.350 0.005 0.000 0.201 696 E C 2.013 178.683 176.600 0.116 0.000 1.045 696 E CA 1.769 58.257 56.400 0.146 0.000 0.872 696 E CB -0.354 nan 29.700 nan 0.000 0.797 696 E HN 1.321 nan 8.360 nan 0.000 0.538 697 F N -0.161 119.739 119.950 -0.084 0.000 2.161 697 F HA -0.053 4.476 4.527 0.004 0.000 0.300 697 F C 1.618 177.214 175.800 -0.340 0.000 1.089 697 F CA 1.682 59.506 58.000 -0.293 0.000 1.282 697 F CB -0.046 38.596 39.000 -0.597 0.000 1.010 697 F HN 0.236 nan 8.300 nan 0.000 0.485 698 F N 0.340 120.392 119.950 0.170 0.000 2.765 698 F HA 0.165 4.695 4.527 0.005 0.000 0.302 698 F C 1.007 176.868 175.800 0.101 0.000 1.111 698 F CA -0.161 57.934 58.000 0.159 0.000 1.359 698 F CB -0.470 38.754 39.000 0.373 0.000 1.097 698 F HN -0.300 nan 8.300 nan 0.000 0.577 699 K N 2.981 123.494 120.400 0.189 0.000 2.447 699 K HA 0.067 4.389 4.320 0.005 0.000 0.281 699 K C -2.505 174.150 176.600 0.093 0.000 1.031 699 K CA -1.637 54.730 56.287 0.133 0.000 1.019 699 K CB 0.394 32.954 32.500 0.101 0.000 0.918 699 K HN -0.122 nan 8.250 nan 0.000 0.476 700 P HA -0.014 nan 4.420 nan 0.000 0.268 700 P C -0.441 176.924 177.300 0.108 0.000 1.204 700 P CA -0.594 62.586 63.100 0.134 0.000 0.768 700 P CB 0.288 32.134 31.700 0.243 0.000 0.842 701 C N 1.459 120.811 119.300 0.085 0.000 2.604 701 C HA 0.616 5.079 4.460 0.005 0.000 0.396 701 C C 2.086 177.133 174.990 0.095 0.000 1.282 701 C CA 0.072 59.137 59.018 0.078 0.000 2.292 701 C CB -0.107 27.671 27.740 0.063 0.000 2.633 701 C HN 0.732 nan 8.230 nan 0.000 0.620 702 A N 2.213 125.083 122.820 0.082 0.000 1.915 702 A HA -0.221 4.101 4.320 0.005 0.000 0.220 702 A C 1.813 179.430 177.584 0.056 0.000 1.198 702 A CA 2.389 54.462 52.037 0.060 0.000 0.647 702 A CB -1.111 17.924 19.000 0.058 0.000 0.825 702 A HN 1.245 nan 8.150 nan 0.000 0.456 703 F N -0.064 119.865 119.950 -0.035 0.000 2.095 703 F HA -0.147 4.383 4.527 0.005 0.000 0.298 703 F C 1.992 177.759 175.800 -0.056 0.000 1.104 703 F CA 1.966 59.940 58.000 -0.043 0.000 1.232 703 F CB -0.298 38.686 39.000 -0.028 0.000 0.987 703 F HN 0.222 nan 8.300 nan 0.000 0.475 704 L N -0.230 121.006 121.223 0.022 0.000 2.056 704 L HA -0.122 4.221 4.340 0.005 0.000 0.207 704 L C 2.600 179.317 176.870 -0.254 0.000 1.078 704 L CA 1.441 56.222 54.840 -0.098 0.000 0.749 704 L CB -0.780 41.322 42.059 0.071 0.000 0.901 704 L HN 0.273 nan 8.230 nan 0.000 0.433 705 A N -0.643 122.057 122.820 -0.200 0.000 1.858 705 A HA -0.253 4.070 4.320 0.005 0.000 0.216 705 A C 2.214 179.428 177.584 -0.617 0.000 1.190 705 A CA 1.791 53.535 52.037 -0.488 0.000 0.617 705 A CB -0.687 18.266 19.000 -0.079 0.000 0.827 705 A HN 0.460 nan 8.150 nan 0.000 0.443 706 E N -0.115 119.868 120.200 -0.362 0.000 2.110 706 E HA -0.153 4.200 4.350 0.005 0.000 0.193 706 E C 2.255 178.639 176.600 -0.360 0.000 0.988 706 E CA 0.979 57.193 56.400 -0.310 0.000 0.804 706 E CB -0.184 29.388 29.700 -0.213 0.000 0.745 706 E HN 0.599 nan 8.360 nan 0.000 0.458 707 R N -1.004 119.229 120.500 -0.445 0.000 2.127 707 R HA 0.014 4.356 4.340 0.005 0.000 0.217 707 R C 2.408 178.498 176.300 -0.349 0.000 1.074 707 R CA 0.801 56.654 56.100 -0.410 0.000 0.991 707 R CB -0.289 29.681 30.300 -0.551 0.000 0.895 707 R HN 0.123 nan 8.270 nan 0.000 0.450 708 G N 0.327 108.869 108.800 -0.430 0.000 2.418 708 G HA2 -0.232 3.731 3.960 0.005 0.000 0.217 708 G HA3 -0.232 3.731 3.960 0.005 0.000 0.217 708 G C 1.425 176.136 174.900 -0.315 0.000 1.158 708 G CA 0.703 45.588 45.100 -0.357 0.000 0.771 708 G HN 0.203 nan 8.290 nan 0.000 0.545 709 S N 0.333 115.752 115.700 -0.468 0.000 2.368 709 S HA -0.093 4.380 4.470 0.005 0.000 0.225 709 S C 2.383 176.894 174.600 -0.148 0.000 1.030 709 S CA 1.410 59.460 58.200 -0.250 0.000 0.999 709 S CB -0.076 62.970 63.200 -0.257 0.000 0.844 709 S HN 0.359 nan 8.310 nan 0.000 0.459 710 K N 0.301 120.598 120.400 -0.171 0.000 2.486 710 K HA 0.289 4.612 4.320 0.005 0.000 0.194 710 K C 1.491 178.028 176.600 -0.105 0.000 1.033 710 K CA 0.461 56.675 56.287 -0.122 0.000 1.004 710 K CB -0.813 31.610 32.500 -0.128 0.000 0.798 710 K HN 0.664 nan 8.250 nan 0.000 0.495 711 G N 1.162 109.893 108.800 -0.116 0.000 2.179 711 G HA2 -0.283 3.680 3.960 0.005 0.000 0.257 711 G HA3 -0.283 3.680 3.960 0.005 0.000 0.257 711 G C 0.332 175.172 174.900 -0.099 0.000 1.010 711 G CA 0.423 45.467 45.100 -0.092 0.000 0.736 711 G HN 0.681 nan 8.290 nan 0.000 0.513 712 V N -2.434 117.407 119.914 -0.122 0.000 3.170 712 V HA 0.818 4.941 4.120 0.005 0.000 0.309 712 V C 1.084 177.107 176.094 -0.118 0.000 1.071 712 V CA -1.490 60.743 62.300 -0.110 0.000 1.063 712 V CB 1.171 32.926 31.823 -0.113 0.000 1.123 712 V HN 0.296 nan 8.190 nan 0.000 0.464 713 L N 1.660 122.829 121.223 -0.091 0.000 2.426 713 L HA 0.292 4.635 4.340 0.005 0.000 0.271 713 L C 1.178 178.017 176.870 -0.052 0.000 1.169 713 L CA 0.348 55.137 54.840 -0.084 0.000 0.836 713 L CB 0.174 42.191 42.059 -0.069 0.000 1.112 713 L HN 0.611 nan 8.230 nan 0.000 0.465 714 L N 0.628 121.825 121.223 -0.042 0.000 2.270 714 L HA -0.014 4.329 4.340 0.005 0.000 0.210 714 L C 1.900 178.889 176.870 0.198 0.000 1.104 714 L CA 0.512 55.399 54.840 0.077 0.000 0.804 714 L CB -0.188 41.908 42.059 0.061 0.000 0.937 714 L HN 0.745 nan 8.230 nan 0.000 0.450 715 S N 0.188 115.904 115.700 0.026 0.000 2.561 715 S HA 0.149 4.622 4.470 0.005 0.000 0.225 715 S C 1.099 175.744 174.600 0.075 0.000 0.977 715 S CA 0.130 58.289 58.200 -0.069 0.000 0.926 715 S CB -0.208 62.936 63.200 -0.093 0.000 0.769 715 S HN 0.363 nan 8.310 nan 0.000 0.533 716 A N 3.050 125.966 122.820 0.160 0.000 2.531 716 A HA 0.343 4.666 4.320 0.005 0.000 0.236 716 A C -2.302 175.490 177.584 0.346 0.000 1.062 716 A CA -1.006 51.142 52.037 0.186 0.000 0.760 716 A CB -0.381 18.687 19.000 0.113 0.000 0.995 716 A HN 0.117 nan 8.150 nan 0.000 0.501 717 P HA 0.125 nan 4.420 nan 0.000 0.266 717 P C -0.422 176.972 177.300 0.156 0.000 1.193 717 P CA -0.064 63.194 63.100 0.263 0.000 0.770 717 P CB 0.312 32.097 31.700 0.141 0.000 0.836 718 V N 1.863 121.765 119.914 -0.019 0.000 2.572 718 V HA 0.428 4.551 4.120 0.005 0.000 0.291 718 V C 0.921 176.996 176.094 -0.032 0.000 1.039 718 V CA 0.655 62.897 62.300 -0.097 0.000 1.055 718 V CB -0.292 31.314 31.823 -0.361 0.000 0.969 718 V HN 0.698 nan 8.190 nan 0.000 0.482 719 K N 0.000 120.403 120.400 0.005 0.000 2.780 719 K HA 0.000 4.323 4.320 0.005 0.000 0.191 719 K CA 0.000 56.287 56.287 -0.000 0.000 0.838 719 K CB 0.000 32.506 32.500 0.010 0.000 1.064 719 K HN 0.000 nan 8.250 nan 0.000 0.543