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 2wk5_1_C DATA FIRST_RESID 33 DATA SEQUENCE PKQLPELIRM KRDGGRLSEA DIRGFVAAVV NGSAQGAQIG AMLMAIRLRG DATA SEQUENCE MDLEETSVLT QALAQSGQQL EWPEAWRQQL VDKHSTGGVG DKVSLVLAPA DATA SEQUENCE LAACGCKVPM ISGRGLGHTG GTLDKLESIP GFNVIQSPEQ MQVLLDQAGC DATA SEQUENCE CIVGQSEQLV PADGILYAAR DVTATVDSLP LITASILSKK LVEGLSALVV DATA SEQUENCE DVKFGGAAVF PNQEQARELA KTLVGVGASL GLRVAAALTA MDKPLGRCVG DATA SEQUENCE HALEVEEALL CMDGAGPPDL RDLVTTLGGA LLWLSGHAGT QAQGAARVAA DATA SEQUENCE ALDDGSALGR FERMLAAQGV DPGLARALCS GSPAERRQLL PRAREQEELL DATA SEQUENCE APADGTVELV RALPLALVLH ELGAGRSRAG EPLRLGVGAE LLVDVGQRLR DATA SEQUENCE RGTPWLRVHR DGPALSGPQS RALQEALVLS DRAXXXAPSP FAELVLPP 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 33 P HA 0.000 nan 4.420 nan 0.000 0.216 33 P C 0.000 177.311 177.300 0.019 0.000 1.155 33 P CA 0.000 63.111 63.100 0.018 0.000 0.800 33 P CB 0.000 31.710 31.700 0.018 0.000 0.726 34 K N -0.059 120.355 120.400 0.023 0.000 2.619 34 K HA 0.143 4.463 4.320 -0.000 0.000 0.279 34 K C -0.227 176.392 176.600 0.031 0.000 1.071 34 K CA -0.482 55.819 56.287 0.023 0.000 1.039 34 K CB 1.707 34.219 32.500 0.020 0.000 1.392 34 K HN 0.422 nan 8.250 nan 0.000 0.427 35 Q N 1.982 121.799 119.800 0.028 0.000 3.159 35 Q HA 0.008 4.348 4.340 -0.000 0.000 0.197 35 Q C 0.991 177.019 176.000 0.047 0.000 1.171 35 Q CA 0.372 56.196 55.803 0.035 0.000 1.232 35 Q CB 0.464 29.218 28.738 0.027 0.000 1.363 35 Q HN 0.526 nan 8.270 nan 0.000 0.699 36 L N -0.206 121.050 121.223 0.056 0.000 2.189 36 L HA -0.025 4.315 4.340 -0.000 0.000 0.199 36 L C -0.748 176.145 176.870 0.038 0.000 1.074 36 L CA 0.246 55.131 54.840 0.075 0.000 0.783 36 L CB -1.267 40.859 42.059 0.112 0.000 0.955 36 L HN 0.422 nan 8.230 nan 0.000 0.460 37 P HA -0.221 nan 4.420 nan 0.000 0.218 37 P C 1.036 178.339 177.300 0.004 0.000 1.150 37 P CA 1.442 64.552 63.100 0.017 0.000 0.841 37 P CB 0.007 31.718 31.700 0.018 0.000 0.784 38 E N -0.837 119.367 120.200 0.006 0.000 2.076 38 E HA -0.023 4.326 4.350 -0.000 0.000 0.190 38 E C 2.239 178.830 176.600 -0.014 0.000 0.979 38 E CA 0.736 57.135 56.400 -0.002 0.000 0.807 38 E CB -1.026 28.677 29.700 0.005 0.000 0.761 38 E HN 0.317 nan 8.360 nan 0.000 0.454 39 L N 0.734 121.947 121.223 -0.016 0.000 2.083 39 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 39 L C 2.539 179.358 176.870 -0.085 0.000 1.083 39 L CA 0.956 55.769 54.840 -0.045 0.000 0.752 39 L CB -0.412 41.622 42.059 -0.042 0.000 0.899 39 L HN 0.072 nan 8.230 nan 0.000 0.433 40 I N -0.999 119.524 120.570 -0.079 0.000 2.252 40 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 40 I C 2.834 178.917 176.117 -0.058 0.000 1.102 40 I CA 0.922 62.168 61.300 -0.090 0.000 1.385 40 I CB -0.439 37.525 38.000 -0.059 0.000 1.064 40 I HN 0.252 nan 8.210 nan 0.000 0.414 41 R N 1.097 121.575 120.500 -0.036 0.000 2.103 41 R HA -0.196 4.144 4.340 -0.000 0.000 0.242 41 R C 2.295 178.578 176.300 -0.029 0.000 1.142 41 R CA 1.743 57.828 56.100 -0.025 0.000 0.960 41 R CB -0.242 30.049 30.300 -0.015 0.000 0.858 41 R HN 0.354 nan 8.270 nan 0.000 0.439 42 M N -0.002 119.578 119.600 -0.034 0.000 2.080 42 M HA -0.201 4.279 4.480 -0.000 0.000 0.260 42 M C 2.322 178.599 176.300 -0.039 0.000 1.068 42 M CA 1.848 57.128 55.300 -0.033 0.000 1.109 42 M CB -0.367 32.213 32.600 -0.034 0.000 1.342 42 M HN -0.055 nan 8.290 nan 0.000 0.405 43 K N 0.559 120.924 120.400 -0.058 0.000 2.155 43 K HA -0.092 4.228 4.320 -0.000 0.000 0.203 43 K C 2.000 178.573 176.600 -0.045 0.000 1.052 43 K CA 1.067 57.317 56.287 -0.061 0.000 0.948 43 K CB -0.180 32.261 32.500 -0.098 0.000 0.728 43 K HN 0.127 nan 8.250 nan 0.000 0.448 44 R N 0.530 121.005 120.500 -0.042 0.000 2.083 44 R HA -0.132 4.208 4.340 -0.000 0.000 0.237 44 R C 0.300 176.588 176.300 -0.021 0.000 1.137 44 R CA 2.084 58.167 56.100 -0.029 0.000 0.951 44 R CB -0.255 30.031 30.300 -0.025 0.000 0.851 44 R HN 0.215 nan 8.270 nan 0.000 0.434 45 D N -0.620 119.768 120.400 -0.020 0.000 2.344 45 D HA 0.122 4.762 4.640 -0.000 0.000 0.242 45 D C 0.609 176.900 176.300 -0.014 0.000 1.159 45 D CA 0.876 54.867 54.000 -0.014 0.000 0.859 45 D CB 0.290 41.083 40.800 -0.012 0.000 0.925 45 D HN 0.548 nan 8.370 nan 0.000 0.510 46 G N 0.433 109.223 108.800 -0.017 0.000 2.198 46 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.260 46 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.260 46 G C 0.739 175.630 174.900 -0.015 0.000 1.025 46 G CA 0.039 45.129 45.100 -0.016 0.000 0.769 46 G HN 0.594 nan 8.290 nan 0.000 0.507 47 G N -1.006 107.782 108.800 -0.019 0.000 2.539 47 G HA2 0.531 4.491 3.960 -0.000 0.000 0.258 47 G HA3 0.531 4.491 3.960 -0.000 0.000 0.258 47 G C 0.308 175.197 174.900 -0.018 0.000 1.202 47 G CA -0.112 44.978 45.100 -0.017 0.000 0.851 47 G HN 0.583 nan 8.290 nan 0.000 0.556 48 R N -0.026 120.466 120.500 -0.013 0.000 2.560 48 R HA 0.396 4.736 4.340 -0.000 0.000 0.270 48 R C -0.842 175.450 176.300 -0.013 0.000 1.074 48 R CA -0.788 55.306 56.100 -0.010 0.000 1.140 48 R CB 0.526 30.824 30.300 -0.004 0.000 1.073 48 R HN 0.267 nan 8.270 nan 0.000 0.527 49 L N 2.499 123.715 121.223 -0.011 0.000 2.287 49 L HA 0.233 4.573 4.340 -0.000 0.000 0.287 49 L C -0.171 176.701 176.870 0.004 0.000 1.022 49 L CA 0.160 54.994 54.840 -0.010 0.000 0.814 49 L CB 1.316 43.364 42.059 -0.018 0.000 1.217 49 L HN 0.795 nan 8.230 nan 0.000 0.420 50 S N 2.613 118.317 115.700 0.006 0.000 2.560 50 S HA 0.016 4.486 4.470 -0.000 0.000 0.284 50 S C 1.145 175.756 174.600 0.020 0.000 1.327 50 S CA -0.077 58.130 58.200 0.012 0.000 1.055 50 S CB 0.506 63.713 63.200 0.012 0.000 0.868 50 S HN 0.725 nan 8.310 nan 0.000 0.506 51 E N 2.419 122.631 120.200 0.020 0.000 2.187 51 E HA -0.254 4.096 4.350 -0.000 0.000 0.199 51 E C 1.950 178.568 176.600 0.031 0.000 1.004 51 E CA 1.626 58.041 56.400 0.025 0.000 0.813 51 E CB -0.534 29.178 29.700 0.021 0.000 0.736 51 E HN 0.889 nan 8.360 nan 0.000 0.468 52 A N 0.990 123.826 122.820 0.028 0.000 1.929 52 A HA -0.150 4.169 4.320 -0.000 0.000 0.216 52 A C 1.817 179.427 177.584 0.044 0.000 1.176 52 A CA 1.409 53.465 52.037 0.031 0.000 0.628 52 A CB -0.250 18.765 19.000 0.024 0.000 0.816 52 A HN 0.197 nan 8.150 nan 0.000 0.444 53 D N 0.403 120.828 120.400 0.041 0.000 2.087 53 D HA -0.151 4.489 4.640 -0.000 0.000 0.192 53 D C 1.879 178.234 176.300 0.092 0.000 0.993 53 D CA 1.315 55.347 54.000 0.052 0.000 0.828 53 D CB -0.431 40.383 40.800 0.023 0.000 0.968 53 D HN 0.482 nan 8.370 nan 0.000 0.448 54 I N 1.017 121.637 120.570 0.082 0.000 2.151 54 I HA -0.298 3.872 4.170 -0.000 0.000 0.243 54 I C 2.519 178.724 176.117 0.147 0.000 1.080 54 I CA 1.150 62.527 61.300 0.128 0.000 1.339 54 I CB -0.166 37.886 38.000 0.087 0.000 1.039 54 I HN -0.021 nan 8.210 nan 0.000 0.409 55 R N 0.651 121.205 120.500 0.091 0.000 2.105 55 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 55 R C 2.284 178.625 176.300 0.068 0.000 1.135 55 R CA 1.621 57.761 56.100 0.067 0.000 0.967 55 R CB -1.058 29.268 30.300 0.043 0.000 0.861 55 R HN 0.487 nan 8.270 nan 0.000 0.442 56 G N 0.461 109.314 108.800 0.089 0.000 2.394 56 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.214 56 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.214 56 G C 1.292 176.261 174.900 0.116 0.000 1.176 56 G CA 0.137 45.287 45.100 0.084 0.000 0.786 56 G HN 0.239 nan 8.290 nan 0.000 0.533 57 F N 1.973 121.928 119.950 0.009 0.000 2.065 57 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 57 F C 2.688 178.496 175.800 0.012 0.000 1.112 57 F CA 1.697 59.703 58.000 0.011 0.000 1.212 57 F CB -0.639 38.368 39.000 0.013 0.000 0.975 57 F HN 0.011 nan 8.300 nan 0.000 0.476 58 V N 0.912 120.756 119.914 -0.117 0.000 2.282 58 V HA -0.345 3.775 4.120 -0.000 0.000 0.249 58 V C 2.820 178.798 176.094 -0.193 0.000 1.057 58 V CA 1.990 64.154 62.300 -0.228 0.000 1.032 58 V CB -1.944 29.852 31.823 -0.045 0.000 0.645 58 V HN 0.533 nan 8.190 nan 0.000 0.447 59 A N 0.237 122.999 122.820 -0.096 0.000 1.883 59 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 59 A C 2.475 180.002 177.584 -0.096 0.000 1.186 59 A CA 2.388 54.382 52.037 -0.071 0.000 0.624 59 A CB -0.998 17.985 19.000 -0.029 0.000 0.822 59 A HN 0.633 nan 8.150 nan 0.000 0.444 60 A N -0.585 122.172 122.820 -0.105 0.000 1.948 60 A HA -0.057 4.263 4.320 -0.000 0.000 0.220 60 A C 2.237 179.730 177.584 -0.152 0.000 1.177 60 A CA 2.047 54.026 52.037 -0.097 0.000 0.636 60 A CB -0.968 18.000 19.000 -0.054 0.000 0.815 60 A HN 0.458 nan 8.150 nan 0.000 0.449 61 V N -0.628 119.121 119.914 -0.275 0.000 2.270 61 V HA -0.224 3.895 4.120 -0.000 0.000 0.245 61 V C 2.530 178.540 176.094 -0.140 0.000 1.043 61 V CA 1.862 64.011 62.300 -0.252 0.000 1.014 61 V CB -1.078 30.529 31.823 -0.359 0.000 0.645 61 V HN 0.362 nan 8.190 nan 0.000 0.447 62 V N 2.372 122.211 119.914 -0.125 0.000 2.219 62 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 62 V C 2.332 178.391 176.094 -0.058 0.000 1.053 62 V CA 2.731 64.984 62.300 -0.078 0.000 1.009 62 V CB -1.190 30.593 31.823 -0.066 0.000 0.636 62 V HN 0.922 nan 8.190 nan 0.000 0.445 63 N N 0.792 119.460 118.700 -0.054 0.000 2.512 63 N HA 0.109 4.849 4.740 -0.000 0.000 0.183 63 N C 1.198 176.688 175.510 -0.034 0.000 1.073 63 N CA 1.163 54.190 53.050 -0.037 0.000 0.911 63 N CB -0.074 38.395 38.487 -0.030 0.000 0.964 63 N HN 0.628 nan 8.380 nan 0.000 0.447 64 G N -1.135 107.638 108.800 -0.044 0.000 2.132 64 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.228 64 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.228 64 G C 0.765 175.652 174.900 -0.022 0.000 1.000 64 G CA 0.436 45.516 45.100 -0.033 0.000 0.693 64 G HN 0.496 nan 8.290 nan 0.000 0.515 65 S N -0.871 114.814 115.700 -0.024 0.000 2.461 65 S HA 0.513 4.983 4.470 -0.000 0.000 0.228 65 S C 1.599 176.202 174.600 0.004 0.000 1.005 65 S CA 1.625 59.821 58.200 -0.007 0.000 0.942 65 S CB -0.117 63.080 63.200 -0.004 0.000 0.776 65 S HN 1.780 nan 8.310 nan 0.000 0.514 66 A N 0.935 123.750 122.820 -0.009 0.000 2.303 66 A HA 0.675 4.995 4.320 -0.000 0.000 0.317 66 A C -0.322 177.271 177.584 0.015 0.000 1.149 66 A CA -0.636 51.411 52.037 0.018 0.000 0.822 66 A CB 0.668 19.667 19.000 -0.002 0.000 1.131 66 A HN 0.590 nan 8.150 nan 0.000 0.493 67 Q N 0.545 120.368 119.800 0.038 0.000 2.248 67 Q HA 0.452 4.791 4.340 -0.000 0.000 0.263 67 Q C 1.358 177.384 176.000 0.044 0.000 1.007 67 Q CA -0.253 55.568 55.803 0.031 0.000 0.877 67 Q CB 1.528 30.284 28.738 0.030 0.000 1.315 67 Q HN 0.876 nan 8.270 nan 0.000 0.454 68 G N 1.065 109.886 108.800 0.034 0.000 2.529 68 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.219 68 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.219 68 G C 1.285 176.216 174.900 0.052 0.000 1.177 68 G CA 1.159 46.283 45.100 0.041 0.000 0.773 68 G HN 0.722 nan 8.290 nan 0.000 0.573 69 A N -0.147 122.699 122.820 0.043 0.000 2.084 69 A HA -0.107 4.213 4.320 -0.000 0.000 0.221 69 A C 2.322 179.939 177.584 0.055 0.000 1.161 69 A CA 2.105 54.167 52.037 0.042 0.000 0.653 69 A CB -0.294 18.726 19.000 0.033 0.000 0.802 69 A HN 0.554 nan 8.150 nan 0.000 0.457 70 Q N -0.940 118.905 119.800 0.074 0.000 2.165 70 Q HA 0.127 4.467 4.340 -0.000 0.000 0.197 70 Q C 1.974 178.070 176.000 0.159 0.000 0.952 70 Q CA 0.858 56.723 55.803 0.104 0.000 0.848 70 Q CB -0.156 28.655 28.738 0.121 0.000 0.931 70 Q HN 0.699 nan 8.270 nan 0.000 0.470 71 I N 0.718 121.396 120.570 0.180 0.000 2.194 71 I HA -0.255 3.915 4.170 -0.000 0.000 0.246 71 I C 2.227 178.451 176.117 0.177 0.000 1.093 71 I CA 1.442 62.887 61.300 0.243 0.000 1.355 71 I CB -0.479 37.600 38.000 0.133 0.000 1.046 71 I HN 0.304 nan 8.210 nan 0.000 0.413 72 G N 0.009 108.871 108.800 0.105 0.000 2.408 72 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.215 72 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.215 72 G C 1.849 176.778 174.900 0.049 0.000 1.156 72 G CA 0.631 45.773 45.100 0.069 0.000 0.793 72 G HN 0.479 nan 8.290 nan 0.000 0.535 73 A N 0.280 123.127 122.820 0.045 0.000 1.972 73 A HA 0.016 4.335 4.320 -0.000 0.000 0.219 73 A C 2.247 179.828 177.584 -0.005 0.000 1.169 73 A CA 2.118 54.167 52.037 0.019 0.000 0.635 73 A CB -0.273 18.739 19.000 0.019 0.000 0.810 73 A HN 0.395 nan 8.150 nan 0.000 0.446 74 M N -0.533 119.063 119.600 -0.007 0.000 2.288 74 M HA 0.156 4.636 4.480 -0.000 0.000 0.266 74 M C 1.708 177.976 176.300 -0.054 0.000 1.072 74 M CA 1.270 56.514 55.300 -0.094 0.000 1.132 74 M CB -0.542 31.906 32.600 -0.253 0.000 1.386 74 M HN 0.338 nan 8.290 nan 0.000 0.432 75 L N -1.104 120.130 121.223 0.018 0.000 2.056 75 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 75 L C 2.423 179.298 176.870 0.008 0.000 1.078 75 L CA 0.951 55.807 54.840 0.027 0.000 0.749 75 L CB -0.791 41.299 42.059 0.052 0.000 0.901 75 L HN 0.329 nan 8.230 nan 0.000 0.433 76 M N 0.196 119.801 119.600 0.008 0.000 2.267 76 M HA -0.139 4.340 4.480 -0.000 0.000 0.263 76 M C 2.156 178.452 176.300 -0.006 0.000 1.063 76 M CA 1.828 57.130 55.300 0.004 0.000 1.090 76 M CB -0.527 32.077 32.600 0.006 0.000 1.392 76 M HN 0.220 nan 8.290 nan 0.000 0.422 77 A N -0.223 122.585 122.820 -0.021 0.000 1.872 77 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 77 A C 2.142 179.708 177.584 -0.029 0.000 1.187 77 A CA 1.584 53.601 52.037 -0.032 0.000 0.614 77 A CB -0.899 18.066 19.000 -0.059 0.000 0.826 77 A HN 0.528 nan 8.150 nan 0.000 0.442 78 I N -1.078 119.472 120.570 -0.034 0.000 2.361 78 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 78 I C 2.705 178.824 176.117 0.003 0.000 1.133 78 I CA 0.833 62.122 61.300 -0.020 0.000 1.413 78 I CB -0.345 37.645 38.000 -0.016 0.000 1.073 78 I HN 0.189 nan 8.210 nan 0.000 0.424 79 R N 1.003 121.507 120.500 0.007 0.000 2.081 79 R HA -0.033 4.306 4.340 -0.000 0.000 0.235 79 R C 2.087 178.399 176.300 0.020 0.000 1.131 79 R CA 1.472 57.583 56.100 0.018 0.000 0.960 79 R CB -0.473 29.836 30.300 0.016 0.000 0.856 79 R HN 0.380 nan 8.270 nan 0.000 0.436 80 L N -0.883 120.346 121.223 0.010 0.000 2.554 80 L HA 0.130 4.470 4.340 -0.000 0.000 0.225 80 L C 1.834 178.707 176.870 0.005 0.000 1.104 80 L CA 0.248 55.093 54.840 0.009 0.000 0.866 80 L CB 0.127 42.189 42.059 0.005 0.000 1.047 80 L HN -0.098 nan 8.230 nan 0.000 0.468 81 R N -0.004 120.496 120.500 0.000 0.000 2.279 81 R HA 0.298 4.637 4.340 -0.000 0.000 0.195 81 R C 0.883 177.183 176.300 -0.000 0.000 0.905 81 R CA 0.378 56.476 56.100 -0.004 0.000 1.044 81 R CB 0.069 30.361 30.300 -0.013 0.000 1.056 81 R HN 0.203 nan 8.270 nan 0.000 0.535 82 G N 0.735 109.538 108.800 0.005 0.000 2.707 82 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.279 82 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.279 82 G C 0.047 174.950 174.900 0.005 0.000 1.345 82 G CA 0.653 45.761 45.100 0.012 0.000 0.912 82 G HN 0.256 nan 8.290 nan 0.000 0.563 83 M N -1.915 117.691 119.600 0.011 0.000 3.815 83 M HA 0.591 5.070 4.480 -0.000 0.000 0.347 83 M C -0.762 175.545 176.300 0.013 0.000 1.626 83 M CA -0.284 55.020 55.300 0.007 0.000 0.844 83 M CB 0.866 33.469 32.600 0.004 0.000 2.202 83 M HN 0.725 nan 8.290 nan 0.000 0.467 84 D N 0.110 120.517 120.400 0.012 0.000 2.588 84 D HA 0.462 5.102 4.640 -0.000 0.000 0.268 84 D C 0.658 176.971 176.300 0.020 0.000 1.176 84 D CA -0.777 53.232 54.000 0.014 0.000 1.080 84 D CB 0.789 41.595 40.800 0.011 0.000 1.186 84 D HN 0.443 nan 8.370 nan 0.000 0.619 85 L N -0.395 120.841 121.223 0.021 0.000 2.072 85 L HA -0.052 4.288 4.340 -0.000 0.000 0.205 85 L C 2.160 179.045 176.870 0.025 0.000 1.079 85 L CA 1.458 56.312 54.840 0.025 0.000 0.752 85 L CB -1.284 40.789 42.059 0.023 0.000 0.906 85 L HN 0.539 nan 8.230 nan 0.000 0.436 86 E N 0.500 120.713 120.200 0.021 0.000 2.070 86 E HA -0.235 4.115 4.350 -0.000 0.000 0.197 86 E C 1.969 178.583 176.600 0.024 0.000 1.004 86 E CA 1.257 57.669 56.400 0.021 0.000 0.805 86 E CB -0.025 29.685 29.700 0.017 0.000 0.744 86 E HN 0.582 nan 8.360 nan 0.000 0.451 87 E N 0.086 120.299 120.200 0.023 0.000 2.038 87 E HA -0.150 4.199 4.350 -0.000 0.000 0.195 87 E C 2.213 178.833 176.600 0.034 0.000 1.000 87 E CA 1.595 58.010 56.400 0.025 0.000 0.803 87 E CB -0.326 29.385 29.700 0.018 0.000 0.750 87 E HN 0.194 nan 8.360 nan 0.000 0.448 88 T N 1.328 115.902 114.554 0.035 0.000 2.622 88 T HA -0.203 4.147 4.350 -0.000 0.000 0.266 88 T C 2.320 177.045 174.700 0.042 0.000 1.047 88 T CA 1.969 64.095 62.100 0.042 0.000 1.159 88 T CB -0.439 68.454 68.868 0.043 0.000 0.863 88 T HN 0.304 nan 8.240 nan 0.000 0.422 89 S N 1.203 116.925 115.700 0.036 0.000 2.370 89 S HA -0.109 4.361 4.470 -0.000 0.000 0.226 89 S C 2.177 176.797 174.600 0.034 0.000 1.033 89 S CA 1.236 59.456 58.200 0.034 0.000 1.011 89 S CB -0.993 62.224 63.200 0.029 0.000 0.852 89 S HN 0.285 nan 8.310 nan 0.000 0.457 90 V N 1.652 121.587 119.914 0.035 0.000 2.379 90 V HA -0.012 4.107 4.120 -0.000 0.000 0.245 90 V C 2.486 178.608 176.094 0.046 0.000 1.044 90 V CA 1.591 63.913 62.300 0.037 0.000 1.036 90 V CB -0.689 31.155 31.823 0.035 0.000 0.664 90 V HN 0.488 nan 8.190 nan 0.000 0.453 91 L N 0.416 121.671 121.223 0.054 0.000 1.994 91 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 91 L C 2.897 179.803 176.870 0.061 0.000 1.071 91 L CA 2.473 57.355 54.840 0.070 0.000 0.745 91 L CB -0.649 41.457 42.059 0.078 0.000 0.892 91 L HN 0.647 nan 8.230 nan 0.000 0.431 92 T N -3.018 111.567 114.554 0.052 0.000 2.665 92 T HA -0.324 4.026 4.350 -0.000 0.000 0.268 92 T C 1.707 176.428 174.700 0.035 0.000 1.035 92 T CA 1.731 63.858 62.100 0.044 0.000 1.151 92 T CB -0.480 68.412 68.868 0.041 0.000 0.862 92 T HN 0.416 nan 8.240 nan 0.000 0.438 93 Q N 1.074 120.894 119.800 0.032 0.000 2.002 93 Q HA -0.002 4.337 4.340 -0.000 0.000 0.204 93 Q C 2.929 178.943 176.000 0.024 0.000 0.988 93 Q CA 1.673 57.491 55.803 0.025 0.000 0.843 93 Q CB -0.678 28.074 28.738 0.025 0.000 0.908 93 Q HN 0.717 nan 8.270 nan 0.000 0.420 94 A N 1.073 123.911 122.820 0.031 0.000 1.881 94 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 94 A C 2.082 179.679 177.584 0.020 0.000 1.215 94 A CA 1.787 53.842 52.037 0.030 0.000 0.648 94 A CB -1.177 17.852 19.000 0.049 0.000 0.832 94 A HN 0.387 nan 8.150 nan 0.000 0.455 95 L N -1.172 120.068 121.223 0.028 0.000 2.043 95 L HA -0.288 4.052 4.340 -0.000 0.000 0.212 95 L C 3.135 180.009 176.870 0.006 0.000 1.075 95 L CA 1.400 56.252 54.840 0.019 0.000 0.752 95 L CB -0.796 41.283 42.059 0.035 0.000 0.891 95 L HN 0.525 nan 8.230 nan 0.000 0.432 96 A N 0.063 122.887 122.820 0.008 0.000 1.877 96 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 96 A C 1.955 179.534 177.584 -0.008 0.000 1.186 96 A CA 1.401 53.438 52.037 -0.001 0.000 0.620 96 A CB -0.502 18.500 19.000 0.004 0.000 0.822 96 A HN 0.588 nan 8.150 nan 0.000 0.443 97 Q N 0.688 120.485 119.800 -0.005 0.000 2.329 97 Q HA 0.064 4.404 4.340 -0.000 0.000 0.208 97 Q C 1.348 177.339 176.000 -0.016 0.000 0.934 97 Q CA 0.631 56.427 55.803 -0.011 0.000 0.951 97 Q CB -0.236 28.499 28.738 -0.005 0.000 1.017 97 Q HN 0.760 nan 8.270 nan 0.000 0.490 98 S N -1.505 114.184 115.700 -0.018 0.000 2.524 98 S HA 0.202 4.672 4.470 -0.000 0.000 0.216 98 S C 0.982 175.565 174.600 -0.029 0.000 0.987 98 S CA 0.095 58.280 58.200 -0.025 0.000 0.909 98 S CB 0.556 63.739 63.200 -0.029 0.000 0.781 98 S HN 0.395 nan 8.310 nan 0.000 0.521 99 G N 0.331 109.113 108.800 -0.030 0.000 3.356 99 G HA2 0.583 4.543 3.960 -0.000 0.000 0.178 99 G HA3 0.583 4.543 3.960 -0.000 0.000 0.178 99 G C -0.816 174.060 174.900 -0.040 0.000 1.130 99 G CA -0.617 44.462 45.100 -0.035 0.000 0.800 99 G HN 0.354 nan 8.290 nan 0.000 0.669 100 Q N -0.985 118.785 119.800 -0.050 0.000 2.364 100 Q HA 0.656 4.996 4.340 -0.000 0.000 0.204 100 Q C -1.236 174.720 176.000 -0.074 0.000 1.002 100 Q CA -0.576 55.188 55.803 -0.064 0.000 1.012 100 Q CB 1.352 30.044 28.738 -0.077 0.000 1.188 100 Q HN 0.230 nan 8.270 nan 0.000 0.522 101 Q N 0.519 120.259 119.800 -0.101 0.000 2.323 101 Q HA 0.415 4.755 4.340 -0.000 0.000 0.271 101 Q C -1.428 174.440 176.000 -0.220 0.000 1.048 101 Q CA -0.236 55.494 55.803 -0.122 0.000 0.792 101 Q CB 1.838 30.522 28.738 -0.089 0.000 1.280 101 Q HN 0.449 nan 8.270 nan 0.000 0.441 102 L N 2.075 123.107 121.223 -0.317 0.000 2.534 102 L HA 0.085 4.425 4.340 -0.000 0.000 0.271 102 L C 0.418 176.770 176.870 -0.864 0.000 1.178 102 L CA -0.028 54.408 54.840 -0.673 0.000 0.907 102 L CB 0.365 41.894 42.059 -0.883 0.000 1.164 102 L HN 0.581 nan 8.230 nan 0.000 0.482 103 E N 3.916 123.688 120.200 -0.714 0.000 2.180 103 E HA 0.145 4.495 4.350 -0.000 0.000 0.283 103 E C -1.598 174.756 176.600 -0.410 0.000 1.061 103 E CA 0.158 56.295 56.400 -0.438 0.000 0.861 103 E CB 0.397 29.947 29.700 -0.251 0.000 1.056 103 E HN 0.254 nan 8.360 nan 0.000 0.407 104 W N 5.303 126.601 121.300 -0.003 0.000 2.656 104 W HA 0.392 5.052 4.660 -0.000 0.000 0.327 104 W C -1.739 174.722 176.519 -0.097 0.000 1.041 104 W CA -2.405 54.940 57.345 0.001 0.000 1.229 104 W CB 1.412 30.935 29.460 0.105 0.000 1.397 104 W HN 0.504 nan 8.180 nan 0.000 0.479 105 P HA -0.033 nan 4.420 nan 0.000 0.272 105 P C 0.725 177.997 177.300 -0.047 0.000 1.254 105 P CA 0.060 63.047 63.100 -0.189 0.000 0.795 105 P CB 0.935 32.244 31.700 -0.651 0.000 1.022 106 E N -0.016 120.150 120.200 -0.056 0.000 2.170 106 E HA -0.024 4.325 4.350 -0.000 0.000 0.191 106 E C 1.849 178.465 176.600 0.027 0.000 0.981 106 E CA 0.819 57.224 56.400 0.008 0.000 0.830 106 E CB -0.590 29.109 29.700 -0.001 0.000 0.775 106 E HN 0.444 nan 8.360 nan 0.000 0.470 107 A N -0.136 122.665 122.820 -0.033 0.000 2.225 107 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 107 A C 0.993 178.763 177.584 0.310 0.000 1.164 107 A CA 0.770 52.838 52.037 0.053 0.000 0.710 107 A CB -0.535 18.445 19.000 -0.033 0.000 0.780 107 A HN 0.223 nan 8.150 nan 0.000 0.473 108 W N -1.702 119.587 121.300 -0.018 0.000 2.714 108 W HA 0.337 4.997 4.660 -0.000 0.000 0.353 108 W C 1.565 178.035 176.519 -0.083 0.000 0.999 108 W CA -0.965 56.333 57.345 -0.078 0.000 1.629 108 W CB -0.542 28.823 29.460 -0.159 0.000 1.106 108 W HN 0.305 nan 8.180 nan 0.000 0.545 109 R N 1.684 122.289 120.500 0.175 0.000 2.235 109 R HA -0.251 4.089 4.340 -0.000 0.000 0.222 109 R C 2.188 178.534 176.300 0.076 0.000 1.095 109 R CA 2.572 58.736 56.100 0.107 0.000 0.863 109 R CB -0.900 29.451 30.300 0.084 0.000 0.824 109 R HN -0.053 nan 8.270 nan 0.000 0.432 110 Q N 0.038 119.884 119.800 0.077 0.000 2.290 110 Q HA -0.188 4.152 4.340 -0.000 0.000 0.211 110 Q C 0.346 176.419 176.000 0.123 0.000 0.991 110 Q CA 1.389 57.246 55.803 0.089 0.000 0.893 110 Q CB -0.280 28.506 28.738 0.081 0.000 0.913 110 Q HN 0.444 nan 8.270 nan 0.000 0.428 111 Q N -0.054 119.796 119.800 0.083 0.000 2.834 111 Q HA 0.485 4.825 4.340 -0.000 0.000 0.271 111 Q C -0.913 175.026 176.000 -0.102 0.000 1.196 111 Q CA 0.203 56.025 55.803 0.032 0.000 1.063 111 Q CB 0.483 29.237 28.738 0.027 0.000 1.265 111 Q HN 0.117 nan 8.270 nan 0.000 0.526 112 L N 1.365 122.522 121.223 -0.110 0.000 2.611 112 L HA 0.578 4.918 4.340 -0.000 0.000 0.263 112 L C -0.744 176.060 176.870 -0.110 0.000 0.969 112 L CA -0.834 53.911 54.840 -0.158 0.000 0.894 112 L CB 1.340 43.293 42.059 -0.177 0.000 1.229 112 L HN 0.224 nan 8.230 nan 0.000 0.416 113 V N -1.062 118.782 119.914 -0.115 0.000 3.084 113 V HA 0.903 5.023 4.120 -0.000 0.000 0.311 113 V C -1.468 174.599 176.094 -0.046 0.000 1.311 113 V CA -0.533 61.718 62.300 -0.080 0.000 1.062 113 V CB 2.479 34.235 31.823 -0.110 0.000 1.113 113 V HN 0.641 nan 8.190 nan 0.000 0.468 114 D N -1.244 119.146 120.400 -0.016 0.000 3.058 114 D HA 0.456 5.095 4.640 -0.000 0.000 0.275 114 D C -1.524 174.804 176.300 0.046 0.000 1.089 114 D CA -0.144 53.867 54.000 0.018 0.000 0.722 114 D CB 1.574 42.392 40.800 0.029 0.000 1.454 114 D HN 1.207 nan 8.370 nan 0.000 0.453 115 K N 0.586 121.033 120.400 0.078 0.000 2.395 115 K HA 0.870 5.189 4.320 -0.000 0.000 0.245 115 K C -1.672 175.044 176.600 0.193 0.000 1.017 115 K CA -0.548 55.803 56.287 0.106 0.000 0.852 115 K CB 1.811 34.357 32.500 0.076 0.000 1.311 115 K HN 0.419 nan 8.250 nan 0.000 0.452 116 H N -0.564 118.525 119.070 0.031 0.000 3.099 116 H HA 0.358 4.914 4.556 -0.000 0.000 0.342 116 H C -1.720 173.623 175.328 0.025 0.000 1.054 116 H CA -0.304 55.762 56.048 0.030 0.000 1.328 116 H CB 1.572 31.356 29.762 0.037 0.000 1.876 116 H HN 0.852 nan 8.280 nan 0.000 0.495 117 S N 1.837 117.413 115.700 -0.208 0.000 2.578 117 S HA 0.193 4.663 4.470 -0.000 0.000 0.283 117 S C 1.214 175.722 174.600 -0.153 0.000 1.195 117 S CA 0.055 58.176 58.200 -0.132 0.000 1.050 117 S CB 1.417 64.543 63.200 -0.125 0.000 1.012 117 S HN 0.759 nan 8.310 nan 0.000 0.511 118 T N -0.596 113.917 114.554 -0.068 0.000 3.035 118 T HA 0.419 4.769 4.350 -0.000 0.000 0.268 118 T C 1.073 175.711 174.700 -0.104 0.000 1.109 118 T CA 0.300 62.367 62.100 -0.055 0.000 1.119 118 T CB -0.937 67.912 68.868 -0.033 0.000 0.900 118 T HN 1.941 nan 8.240 nan 0.000 0.503 119 G N -1.351 107.377 108.800 -0.120 0.000 2.435 119 G HA2 0.489 4.449 3.960 -0.000 0.000 0.603 119 G HA3 0.489 4.449 3.960 -0.000 0.000 0.603 119 G C -0.438 174.379 174.900 -0.138 0.000 1.496 119 G CA -0.488 44.526 45.100 -0.143 0.000 0.896 119 G HN 1.016 nan 8.290 nan 0.000 0.657 120 G N -1.387 107.331 108.800 -0.137 0.000 2.554 120 G HA2 0.814 4.774 3.960 -0.000 0.000 0.306 120 G HA3 0.814 4.774 3.960 -0.000 0.000 0.306 120 G C -1.310 173.536 174.900 -0.090 0.000 1.320 120 G CA 0.285 45.321 45.100 -0.107 0.000 0.800 120 G HN 1.635 nan 8.290 nan 0.000 0.481 121 V N 0.479 120.359 119.914 -0.057 0.000 2.459 121 V HA 0.639 4.759 4.120 -0.000 0.000 0.295 121 V C 1.335 177.395 176.094 -0.057 0.000 1.029 121 V CA 0.551 62.825 62.300 -0.044 0.000 0.874 121 V CB 0.699 32.517 31.823 -0.008 0.000 0.985 121 V HN 2.347 nan 8.190 nan 0.000 0.438 122 G N 2.642 111.397 108.800 -0.074 0.000 2.258 122 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.274 122 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.274 122 G C 0.305 175.162 174.900 -0.072 0.000 1.021 122 G CA 0.581 45.634 45.100 -0.078 0.000 0.798 122 G HN 0.886 nan 8.290 nan 0.000 0.507 123 D N 0.698 121.054 120.400 -0.073 0.000 2.845 123 D HA 0.096 4.736 4.640 -0.000 0.000 0.235 123 D C 1.671 177.930 176.300 -0.068 0.000 1.158 123 D CA 0.020 53.978 54.000 -0.071 0.000 0.990 123 D CB -0.011 40.741 40.800 -0.079 0.000 1.094 123 D HN 0.495 nan 8.370 nan 0.000 0.486 124 K N 1.031 121.390 120.400 -0.067 0.000 2.469 124 K HA 0.022 4.342 4.320 -0.000 0.000 0.201 124 K C 1.287 177.849 176.600 -0.064 0.000 1.028 124 K CA -0.159 56.088 56.287 -0.067 0.000 1.170 124 K CB -0.344 32.110 32.500 -0.076 0.000 0.874 124 K HN 0.056 nan 8.250 nan 0.000 0.507 125 V N 1.288 121.169 119.914 -0.054 0.000 2.278 125 V HA -0.307 3.812 4.120 -0.000 0.000 0.251 125 V C 2.124 178.196 176.094 -0.036 0.000 1.062 125 V CA 2.367 64.641 62.300 -0.043 0.000 1.038 125 V CB -0.835 30.971 31.823 -0.028 0.000 0.646 125 V HN 0.436 nan 8.190 nan 0.000 0.447 126 S N -0.208 115.475 115.700 -0.029 0.000 2.419 126 S HA -0.115 4.355 4.470 -0.000 0.000 0.233 126 S C 1.808 176.406 174.600 -0.002 0.000 1.016 126 S CA 1.182 59.377 58.200 -0.007 0.000 0.974 126 S CB -0.354 62.844 63.200 -0.002 0.000 0.786 126 S HN 0.358 nan 8.310 nan 0.000 0.492 127 L N 0.798 122.003 121.223 -0.030 0.000 2.141 127 L HA -0.017 4.322 4.340 -0.000 0.000 0.209 127 L C 2.141 178.943 176.870 -0.113 0.000 1.094 127 L CA 1.252 56.070 54.840 -0.037 0.000 0.763 127 L CB -0.592 41.419 42.059 -0.079 0.000 0.908 127 L HN 0.180 nan 8.230 nan 0.000 0.437 128 V N -1.675 118.165 119.914 -0.124 0.000 2.492 128 V HA -0.119 4.001 4.120 -0.000 0.000 0.241 128 V C 2.262 178.314 176.094 -0.071 0.000 1.041 128 V CA 0.730 62.940 62.300 -0.150 0.000 1.057 128 V CB -0.198 31.546 31.823 -0.132 0.000 0.711 128 V HN 0.245 nan 8.190 nan 0.000 0.468 129 L N 0.285 121.486 121.223 -0.036 0.000 2.012 129 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 129 L C 2.734 179.607 176.870 0.005 0.000 1.073 129 L CA 1.928 56.761 54.840 -0.012 0.000 0.748 129 L CB -0.607 41.452 42.059 -0.001 0.000 0.891 129 L HN 0.413 nan 8.230 nan 0.000 0.431 130 A N 0.352 123.187 122.820 0.025 0.000 1.873 130 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 130 A C -0.105 177.508 177.584 0.048 0.000 1.193 130 A CA 2.028 54.090 52.037 0.041 0.000 0.629 130 A CB -1.931 17.113 19.000 0.074 0.000 0.826 130 A HN 0.314 nan 8.150 nan 0.000 0.447 131 P HA -0.134 nan 4.420 nan 0.000 0.216 131 P C 1.769 179.095 177.300 0.043 0.000 1.150 131 P CA 1.958 65.123 63.100 0.109 0.000 0.837 131 P CB -0.119 31.691 31.700 0.184 0.000 0.786 132 A N -0.406 122.423 122.820 0.014 0.000 1.835 132 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 132 A C 2.243 179.825 177.584 -0.004 0.000 1.199 132 A CA 1.597 53.634 52.037 -0.000 0.000 0.615 132 A CB -1.699 17.294 19.000 -0.012 0.000 0.838 132 A HN 0.073 nan 8.150 nan 0.000 0.444 133 L N -0.672 120.545 121.223 -0.010 0.000 2.051 133 L HA -0.317 4.023 4.340 -0.000 0.000 0.214 133 L C 3.132 179.982 176.870 -0.033 0.000 1.076 133 L CA 1.308 56.133 54.840 -0.024 0.000 0.758 133 L CB -0.654 41.383 42.059 -0.037 0.000 0.890 133 L HN 0.512 nan 8.230 nan 0.000 0.433 134 A N 0.038 122.837 122.820 -0.036 0.000 1.884 134 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 134 A C 2.008 179.565 177.584 -0.045 0.000 1.197 134 A CA 2.016 54.018 52.037 -0.058 0.000 0.637 134 A CB -0.803 18.173 19.000 -0.040 0.000 0.827 134 A HN 0.427 nan 8.150 nan 0.000 0.450 135 A N -2.609 120.201 122.820 -0.018 0.000 2.648 135 A HA 0.388 4.708 4.320 -0.000 0.000 0.269 135 A C 0.817 178.399 177.584 -0.002 0.000 1.392 135 A CA 0.521 52.553 52.037 -0.010 0.000 1.019 135 A CB -1.019 17.983 19.000 0.003 0.000 1.009 135 A HN 0.585 nan 8.150 nan 0.000 0.565 136 C N -1.737 117.563 119.300 -0.001 0.000 3.626 136 C HA 0.493 4.953 4.460 -0.000 0.000 0.276 136 C C 1.436 176.458 174.990 0.052 0.000 1.694 136 C CA 0.388 59.419 59.018 0.020 0.000 1.785 136 C CB -0.702 27.049 27.740 0.018 0.000 3.152 136 C HN 1.350 nan 8.230 nan 0.000 0.571 137 G N 1.028 109.848 108.800 0.034 0.000 2.164 137 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.212 137 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.212 137 G C -0.257 174.715 174.900 0.119 0.000 1.031 137 G CA 0.115 45.255 45.100 0.066 0.000 0.730 137 G HN 0.550 nan 8.290 nan 0.000 0.501 138 C N -0.662 118.638 119.300 0.001 0.000 2.880 138 C HA 0.701 5.160 4.460 -0.000 0.000 0.320 138 C C -0.043 174.851 174.990 -0.161 0.000 1.176 138 C CA -1.377 57.600 59.018 -0.067 0.000 1.390 138 C CB 2.013 29.683 27.740 -0.116 0.000 1.846 138 C HN 0.435 nan 8.230 nan 0.000 0.478 139 K N 1.648 121.904 120.400 -0.240 0.000 2.263 139 K HA 0.628 4.947 4.320 -0.000 0.000 0.272 139 K C -0.882 175.546 176.600 -0.287 0.000 1.033 139 K CA -0.094 55.975 56.287 -0.364 0.000 0.884 139 K CB 0.943 33.078 32.500 -0.610 0.000 1.107 139 K HN 0.483 nan 8.250 nan 0.000 0.460 140 V N 6.647 126.435 119.914 -0.209 0.000 2.293 140 V HA 0.336 4.456 4.120 -0.000 0.000 0.275 140 V C -2.173 173.877 176.094 -0.073 0.000 1.021 140 V CA -1.588 60.640 62.300 -0.120 0.000 0.815 140 V CB 1.330 33.117 31.823 -0.060 0.000 1.025 140 V HN 0.675 nan 8.190 nan 0.000 0.448 141 P HA 0.281 nan 4.420 nan 0.000 0.227 141 P C -0.469 176.892 177.300 0.101 0.000 1.815 141 P CA -0.320 62.826 63.100 0.076 0.000 1.134 141 P CB 0.783 32.604 31.700 0.203 0.000 1.795 142 M N 4.688 124.340 119.600 0.086 0.000 2.144 142 M HA 0.358 4.837 4.480 -0.000 0.000 0.356 142 M C -0.950 175.408 176.300 0.096 0.000 1.217 142 M CA -0.486 54.869 55.300 0.093 0.000 1.087 142 M CB 0.417 33.076 32.600 0.099 0.000 1.609 142 M HN 0.112 nan 8.290 nan 0.000 0.467 143 I N 4.641 125.257 120.570 0.077 0.000 2.388 143 I HA 0.256 4.426 4.170 -0.000 0.000 0.281 143 I C -0.309 175.848 176.117 0.067 0.000 1.046 143 I CA -0.310 61.021 61.300 0.052 0.000 1.187 143 I CB 1.149 39.160 38.000 0.018 0.000 1.351 143 I HN 0.687 nan 8.210 nan 0.000 0.472 144 S N 2.891 118.644 115.700 0.088 0.000 2.719 144 S HA 0.780 5.250 4.470 -0.000 0.000 0.285 144 S C 0.400 174.983 174.600 -0.027 0.000 1.137 144 S CA -0.566 57.713 58.200 0.131 0.000 1.012 144 S CB 1.793 65.043 63.200 0.082 0.000 1.134 144 S HN 0.678 nan 8.310 nan 0.000 0.544 145 G N -0.454 108.294 108.800 -0.086 0.000 3.175 145 G HA2 0.627 4.587 3.960 -0.000 0.000 0.255 145 G HA3 0.627 4.587 3.960 -0.000 0.000 0.255 145 G C -0.773 174.081 174.900 -0.076 0.000 1.352 145 G CA -0.801 44.090 45.100 -0.349 0.000 1.037 145 G HN 0.510 nan 8.290 nan 0.000 0.556 146 R N -1.242 119.274 120.500 0.027 0.000 2.603 146 R HA 0.514 4.854 4.340 -0.000 0.000 0.231 146 R C 0.762 177.247 176.300 0.308 0.000 1.263 146 R CA -0.269 55.933 56.100 0.170 0.000 1.102 146 R CB 0.335 30.722 30.300 0.145 0.000 1.527 146 R HN 0.594 nan 8.270 nan 0.000 0.554 147 G N 0.575 109.482 108.800 0.180 0.000 2.353 147 G HA2 0.215 4.175 3.960 -0.000 0.000 0.239 147 G HA3 0.215 4.175 3.960 -0.000 0.000 0.239 147 G C -0.925 174.023 174.900 0.081 0.000 1.295 147 G CA -0.143 45.034 45.100 0.129 0.000 0.884 147 G HN 0.156 nan 8.290 nan 0.000 0.537 148 L N 3.021 124.228 121.223 -0.027 0.000 2.366 148 L HA 0.578 4.918 4.340 -0.000 0.000 0.266 148 L C 0.931 177.722 176.870 -0.132 0.000 1.010 148 L CA 1.180 55.913 54.840 -0.178 0.000 0.879 148 L CB 0.692 42.552 42.059 -0.332 0.000 1.228 148 L HN 1.263 nan 8.230 nan 0.000 0.439 149 G N 3.011 111.783 108.800 -0.046 0.000 2.561 149 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.289 149 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.289 149 G C 0.776 175.690 174.900 0.025 0.000 1.169 149 G CA 0.532 45.632 45.100 -0.001 0.000 0.980 149 G HN 0.981 nan 8.290 nan 0.000 0.550 150 H N 1.497 120.502 119.070 -0.109 0.000 2.539 150 H HA 0.261 4.817 4.556 -0.000 0.000 0.267 150 H C 1.218 176.538 175.328 -0.013 0.000 0.982 150 H CA 1.599 57.589 56.048 -0.097 0.000 1.146 150 H CB -0.858 28.804 29.762 -0.168 0.000 1.382 150 H HN 0.871 nan 8.280 nan 0.000 0.577 151 T N -0.783 113.526 114.554 -0.410 0.000 2.806 151 T HA 0.510 4.859 4.350 -0.000 0.000 0.290 151 T C 0.804 175.454 174.700 -0.084 0.000 0.966 151 T CA -0.326 61.606 62.100 -0.281 0.000 1.060 151 T CB 1.823 70.498 68.868 -0.322 0.000 0.927 151 T HN 0.364 nan 8.240 nan 0.000 0.485 152 G N 1.287 110.063 108.800 -0.039 0.000 2.491 152 G HA2 0.483 4.443 3.960 -0.000 0.000 0.242 152 G HA3 0.483 4.443 3.960 -0.000 0.000 0.242 152 G C 0.373 175.296 174.900 0.038 0.000 1.266 152 G CA -0.641 44.479 45.100 0.033 0.000 0.844 152 G HN 1.113 nan 8.290 nan 0.000 0.571 153 G N 0.350 109.208 108.800 0.098 0.000 2.329 153 G HA2 0.401 4.361 3.960 -0.000 0.000 0.309 153 G HA3 0.401 4.361 3.960 -0.000 0.000 0.309 153 G C 1.173 176.110 174.900 0.061 0.000 1.110 153 G CA 0.511 45.664 45.100 0.088 0.000 0.923 153 G HN 0.976 nan 8.290 nan 0.000 0.430 154 T N 1.781 116.347 114.554 0.020 0.000 2.792 154 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 154 T C 2.120 176.814 174.700 -0.010 0.000 1.059 154 T CA 1.335 63.434 62.100 -0.003 0.000 1.136 154 T CB -0.261 68.595 68.868 -0.021 0.000 0.846 154 T HN 0.266 nan 8.240 nan 0.000 0.489 155 L N 0.489 121.713 121.223 0.001 0.000 2.072 155 L HA 0.011 4.351 4.340 -0.000 0.000 0.205 155 L C 2.625 179.480 176.870 -0.026 0.000 1.079 155 L CA 1.960 56.791 54.840 -0.016 0.000 0.752 155 L CB -0.490 41.569 42.059 -0.001 0.000 0.906 155 L HN 0.289 nan 8.230 nan 0.000 0.436 156 D N -0.304 120.097 120.400 0.002 0.000 2.144 156 D HA -0.181 4.458 4.640 -0.000 0.000 0.199 156 D C 2.099 178.400 176.300 0.001 0.000 0.984 156 D CA 0.978 54.960 54.000 -0.029 0.000 0.834 156 D CB 0.075 40.828 40.800 -0.078 0.000 0.955 156 D HN 0.219 nan 8.370 nan 0.000 0.465 157 K N 0.363 120.803 120.400 0.066 0.000 2.009 157 K HA -0.096 4.224 4.320 -0.000 0.000 0.210 157 K C 2.099 178.674 176.600 -0.042 0.000 1.049 157 K CA 0.849 57.175 56.287 0.065 0.000 0.929 157 K CB -0.260 32.259 32.500 0.032 0.000 0.714 157 K HN 0.175 nan 8.250 nan 0.000 0.440 158 L N 1.305 122.438 121.223 -0.150 0.000 2.191 158 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 158 L C 2.334 179.025 176.870 -0.298 0.000 1.103 158 L CA 0.823 55.441 54.840 -0.369 0.000 0.769 158 L CB -0.437 41.165 42.059 -0.762 0.000 0.908 158 L HN 0.236 nan 8.230 nan 0.000 0.438 159 E N 0.361 120.478 120.200 -0.138 0.000 2.130 159 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 159 E C 2.289 178.885 176.600 -0.008 0.000 0.998 159 E CA 1.739 58.117 56.400 -0.036 0.000 0.806 159 E CB -0.208 29.474 29.700 -0.029 0.000 0.738 159 E HN 0.585 nan 8.360 nan 0.000 0.459 160 S N 0.647 116.339 115.700 -0.013 0.000 2.493 160 S HA -0.126 4.344 4.470 -0.000 0.000 0.243 160 S C 1.213 175.830 174.600 0.029 0.000 0.991 160 S CA 0.392 58.602 58.200 0.016 0.000 0.957 160 S CB -0.567 62.657 63.200 0.040 0.000 0.756 160 S HN 0.131 nan 8.310 nan 0.000 0.521 161 I N 4.337 124.924 120.570 0.028 0.000 2.308 161 I HA 0.244 4.414 4.170 -0.000 0.000 0.293 161 I C -2.195 173.983 176.117 0.102 0.000 1.078 161 I CA -2.533 58.808 61.300 0.069 0.000 1.292 161 I CB 0.485 38.535 38.000 0.083 0.000 1.423 161 I HN 0.014 nan 8.210 nan 0.000 0.493 162 P HA -0.084 nan 4.420 nan 0.000 0.258 162 P C 0.897 178.240 177.300 0.073 0.000 1.172 162 P CA 1.002 64.139 63.100 0.063 0.000 0.762 162 P CB 0.701 32.426 31.700 0.042 0.000 0.764 163 G N 3.366 112.208 108.800 0.070 0.000 2.234 163 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.235 163 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.235 163 G C -0.030 174.907 174.900 0.061 0.000 0.997 163 G CA -0.271 44.857 45.100 0.047 0.000 0.623 163 G HN 0.525 nan 8.290 nan 0.000 0.514 164 F N 3.599 123.537 119.950 -0.021 0.000 2.506 164 F HA 0.302 4.829 4.527 -0.000 0.000 0.353 164 F C 0.828 176.617 175.800 -0.019 0.000 1.194 164 F CA -0.353 57.630 58.000 -0.027 0.000 1.048 164 F CB -0.175 38.809 39.000 -0.027 0.000 1.160 164 F HN 0.246 nan 8.300 nan 0.000 0.598 165 N N 4.855 123.511 118.700 -0.074 0.000 2.411 165 N HA 0.139 4.879 4.740 -0.000 0.000 0.259 165 N C 0.829 176.351 175.510 0.020 0.000 1.103 165 N CA -0.215 52.829 53.050 -0.010 0.000 0.954 165 N CB 1.062 39.505 38.487 -0.074 0.000 1.085 165 N HN 0.567 nan 8.380 nan 0.000 0.485 166 V N 2.905 122.919 119.914 0.168 0.000 3.633 166 V HA 0.295 4.415 4.120 -0.000 0.000 0.283 166 V C 0.404 176.549 176.094 0.086 0.000 1.305 166 V CA 0.239 62.659 62.300 0.200 0.000 1.153 166 V CB -0.509 31.440 31.823 0.209 0.000 0.950 166 V HN 0.520 nan 8.190 nan 0.000 0.432 167 I N 2.536 123.129 120.570 0.039 0.000 2.388 167 I HA 0.482 4.652 4.170 -0.000 0.000 0.281 167 I C -0.671 175.445 176.117 -0.002 0.000 1.046 167 I CA -0.095 61.214 61.300 0.016 0.000 1.187 167 I CB 1.174 39.179 38.000 0.008 0.000 1.351 167 I HN 0.254 nan 8.210 nan 0.000 0.472 168 Q N 4.771 124.572 119.800 0.001 0.000 2.327 168 Q HA 0.311 4.651 4.340 -0.000 0.000 0.270 168 Q C -0.020 175.980 176.000 -0.001 0.000 1.022 168 Q CA -0.532 55.266 55.803 -0.008 0.000 0.773 168 Q CB 2.350 31.081 28.738 -0.011 0.000 1.251 168 Q HN 0.762 nan 8.270 nan 0.000 0.457 169 S N 2.000 117.694 115.700 -0.009 0.000 2.542 169 S HA -0.005 4.465 4.470 -0.000 0.000 0.287 169 S C -1.700 172.893 174.600 -0.012 0.000 1.315 169 S CA -0.440 57.752 58.200 -0.014 0.000 1.037 169 S CB 0.223 63.412 63.200 -0.017 0.000 0.822 169 S HN 0.360 nan 8.310 nan 0.000 0.513 170 P HA -0.028 nan 4.420 nan 0.000 0.222 170 P C 0.930 178.200 177.300 -0.051 0.000 1.147 170 P CA 1.056 64.118 63.100 -0.063 0.000 0.790 170 P CB 0.081 31.718 31.700 -0.105 0.000 0.780 171 E N -0.618 119.566 120.200 -0.027 0.000 2.021 171 E HA -0.109 4.241 4.350 -0.000 0.000 0.189 171 E C 2.121 178.743 176.600 0.037 0.000 0.980 171 E CA 0.997 57.395 56.400 -0.004 0.000 0.803 171 E CB -0.910 28.783 29.700 -0.012 0.000 0.766 171 E HN 0.231 nan 8.360 nan 0.000 0.449 172 Q N -0.083 119.732 119.800 0.025 0.000 2.156 172 Q HA -0.229 4.111 4.340 -0.000 0.000 0.211 172 Q C 2.147 178.191 176.000 0.072 0.000 0.995 172 Q CA 1.779 57.602 55.803 0.032 0.000 0.877 172 Q CB -0.260 28.481 28.738 0.005 0.000 0.920 172 Q HN 0.327 nan 8.270 nan 0.000 0.416 173 M N -0.252 119.406 119.600 0.097 0.000 2.213 173 M HA -0.239 4.241 4.480 -0.000 0.000 0.263 173 M C 2.171 178.661 176.300 0.317 0.000 1.062 173 M CA 1.385 56.794 55.300 0.181 0.000 1.105 173 M CB -0.179 32.544 32.600 0.206 0.000 1.385 173 M HN 0.260 nan 8.290 nan 0.000 0.417 174 Q N -0.183 119.816 119.800 0.332 0.000 2.224 174 Q HA -0.122 4.218 4.340 -0.000 0.000 0.203 174 Q C 1.917 178.173 176.000 0.427 0.000 0.970 174 Q CA 1.016 57.132 55.803 0.521 0.000 0.865 174 Q CB 0.222 29.159 28.738 0.331 0.000 0.922 174 Q HN 0.366 nan 8.270 nan 0.000 0.445 175 V N 0.640 120.695 119.914 0.235 0.000 2.244 175 V HA -0.286 3.834 4.120 -0.000 0.000 0.244 175 V C 2.206 178.376 176.094 0.126 0.000 1.042 175 V CA 1.486 63.883 62.300 0.163 0.000 1.006 175 V CB -0.620 31.253 31.823 0.084 0.000 0.641 175 V HN 0.356 nan 8.190 nan 0.000 0.446 176 L N -0.423 120.852 121.223 0.087 0.000 1.957 176 L HA -0.296 4.044 4.340 -0.000 0.000 0.228 176 L C 2.474 179.331 176.870 -0.023 0.000 1.086 176 L CA 1.967 56.822 54.840 0.025 0.000 0.796 176 L CB -0.937 41.140 42.059 0.029 0.000 0.900 176 L HN 0.259 nan 8.230 nan 0.000 0.439 177 L N -0.543 120.648 121.223 -0.053 0.000 2.137 177 L HA -0.290 4.050 4.340 -0.000 0.000 0.213 177 L C 2.171 178.788 176.870 -0.421 0.000 1.085 177 L CA 1.622 56.266 54.840 -0.327 0.000 0.760 177 L CB -0.612 41.094 42.059 -0.589 0.000 0.893 177 L HN 0.451 nan 8.230 nan 0.000 0.434 178 D N -1.020 119.326 120.400 -0.091 0.000 2.213 178 D HA -0.182 4.458 4.640 -0.000 0.000 0.205 178 D C 2.200 178.522 176.300 0.037 0.000 0.961 178 D CA 0.796 54.855 54.000 0.099 0.000 0.853 178 D CB 0.239 41.294 40.800 0.424 0.000 0.967 178 D HN 0.205 nan 8.370 nan 0.000 0.496 179 Q N -1.141 118.669 119.800 0.017 0.000 2.339 179 Q HA 0.185 4.525 4.340 -0.000 0.000 0.205 179 Q C 1.070 177.054 176.000 -0.027 0.000 0.925 179 Q CA 0.806 56.611 55.803 0.004 0.000 0.898 179 Q CB 0.381 29.124 28.738 0.008 0.000 1.013 179 Q HN 0.277 nan 8.270 nan 0.000 0.504 180 A N -1.434 121.355 122.820 -0.053 0.000 2.340 180 A HA 0.429 4.749 4.320 -0.000 0.000 0.213 180 A C 1.264 178.796 177.584 -0.085 0.000 1.299 180 A CA 0.753 52.758 52.037 -0.054 0.000 0.994 180 A CB 0.630 19.604 19.000 -0.044 0.000 1.132 180 A HN 0.422 nan 8.150 nan 0.000 0.519 181 G N -0.916 107.792 108.800 -0.154 0.000 2.179 181 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 181 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 181 G C 0.511 175.297 174.900 -0.190 0.000 0.977 181 G CA 0.563 45.525 45.100 -0.230 0.000 0.641 181 G HN 2.183 nan 8.290 nan 0.000 0.533 182 C N -1.505 117.727 119.300 -0.113 0.000 3.284 182 C HA 0.856 5.316 4.460 -0.000 0.000 0.338 182 C C -0.049 174.941 174.990 0.000 0.000 1.237 182 C CA -0.717 58.268 59.018 -0.056 0.000 1.276 182 C CB 1.325 29.060 27.740 -0.007 0.000 1.601 182 C HN 2.095 nan 8.230 nan 0.000 0.494 183 C N 1.509 120.833 119.300 0.039 0.000 3.181 183 C HA 0.779 5.239 4.460 -0.000 0.000 0.362 183 C C -1.145 173.919 174.990 0.123 0.000 1.125 183 C CA -0.589 58.480 59.018 0.085 0.000 1.265 183 C CB 0.031 27.812 27.740 0.068 0.000 1.632 183 C HN 1.081 nan 8.230 nan 0.000 0.525 184 I N 4.046 124.727 120.570 0.185 0.000 2.382 184 I HA 0.616 4.786 4.170 -0.000 0.000 0.285 184 I C 0.247 176.481 176.117 0.194 0.000 1.007 184 I CA -0.340 61.063 61.300 0.173 0.000 1.142 184 I CB 1.501 39.598 38.000 0.161 0.000 1.289 184 I HN 0.827 nan 8.210 nan 0.000 0.453 185 V N 2.791 122.783 119.914 0.130 0.000 3.158 185 V HA 0.991 5.111 4.120 -0.000 0.000 0.315 185 V C 0.096 176.225 176.094 0.059 0.000 1.148 185 V CA -0.547 61.817 62.300 0.106 0.000 1.042 185 V CB 1.548 33.418 31.823 0.079 0.000 1.101 185 V HN 0.649 nan 8.190 nan 0.000 0.448 186 G N -0.270 108.550 108.800 0.035 0.000 2.735 186 G HA2 0.601 4.561 3.960 -0.000 0.000 0.301 186 G HA3 0.601 4.561 3.960 -0.000 0.000 0.301 186 G C -1.127 173.756 174.900 -0.029 0.000 1.279 186 G CA -0.957 44.134 45.100 -0.014 0.000 1.019 186 G HN 0.808 nan 8.290 nan 0.000 0.497 187 Q N 0.054 119.815 119.800 -0.064 0.000 2.311 187 Q HA 0.417 4.757 4.340 -0.000 0.000 0.272 187 Q C 0.535 176.516 176.000 -0.031 0.000 1.012 187 Q CA -0.006 55.765 55.803 -0.053 0.000 0.891 187 Q CB 1.217 29.913 28.738 -0.071 0.000 1.201 187 Q HN 0.621 nan 8.270 nan 0.000 0.391 188 S N 0.278 115.963 115.700 -0.024 0.000 2.726 188 S HA 0.297 4.767 4.470 -0.000 0.000 0.308 188 S C 0.506 175.093 174.600 -0.022 0.000 1.115 188 S CA -0.968 57.221 58.200 -0.019 0.000 0.965 188 S CB 1.399 64.590 63.200 -0.016 0.000 1.145 188 S HN 0.767 nan 8.310 nan 0.000 0.532 189 E N -0.344 119.844 120.200 -0.020 0.000 2.515 189 E HA -0.057 4.293 4.350 -0.000 0.000 0.201 189 E C 1.035 177.619 176.600 -0.026 0.000 1.071 189 E CA 0.696 57.082 56.400 -0.022 0.000 0.880 189 E CB -0.098 29.591 29.700 -0.019 0.000 0.828 189 E HN 0.684 nan 8.360 nan 0.000 0.540 190 Q N -0.887 118.897 119.800 -0.027 0.000 2.254 190 Q HA 0.221 4.560 4.340 -0.000 0.000 0.259 190 Q C -0.033 175.946 176.000 -0.036 0.000 0.815 190 Q CA -0.026 55.758 55.803 -0.033 0.000 0.961 190 Q CB 1.133 29.850 28.738 -0.034 0.000 1.140 190 Q HN 0.138 nan 8.270 nan 0.000 0.502 191 L N 2.341 123.546 121.223 -0.031 0.000 2.337 191 L HA 0.286 4.626 4.340 -0.000 0.000 0.269 191 L C 0.005 176.857 176.870 -0.029 0.000 1.018 191 L CA -0.849 53.972 54.840 -0.031 0.000 0.876 191 L CB 1.844 43.889 42.059 -0.024 0.000 1.236 191 L HN 0.014 nan 8.230 nan 0.000 0.436 192 V N 1.398 121.295 119.914 -0.029 0.000 5.915 192 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 192 V C -2.046 174.032 176.094 -0.026 0.000 0.647 192 V CA 0.112 62.397 62.300 -0.025 0.000 0.573 192 V CB -1.527 30.282 31.823 -0.024 0.000 0.266 192 V HN 0.604 nan 8.190 nan 0.000 0.580 193 P HA -0.039 nan 4.420 nan 0.000 0.215 193 P C 1.983 179.268 177.300 -0.025 0.000 1.157 193 P CA 2.605 65.689 63.100 -0.027 0.000 0.863 193 P CB 0.039 31.720 31.700 -0.031 0.000 0.787 194 A N -0.077 122.724 122.820 -0.033 0.000 1.986 194 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 194 A C 2.175 179.755 177.584 -0.006 0.000 1.171 194 A CA 2.436 54.447 52.037 -0.043 0.000 0.640 194 A CB -1.724 17.241 19.000 -0.058 0.000 0.811 194 A HN 0.192 nan 8.150 nan 0.000 0.451 195 D N -1.045 119.363 120.400 0.013 0.000 2.149 195 D HA 0.024 4.664 4.640 -0.000 0.000 0.201 195 D C 1.978 178.324 176.300 0.076 0.000 0.972 195 D CA 1.459 55.492 54.000 0.056 0.000 0.835 195 D CB -0.464 40.360 40.800 0.040 0.000 0.966 195 D HN 0.273 nan 8.370 nan 0.000 0.476 196 G N 0.995 109.808 108.800 0.022 0.000 2.459 196 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 196 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 196 G C 1.577 176.520 174.900 0.072 0.000 1.183 196 G CA 0.870 45.983 45.100 0.021 0.000 0.776 196 G HN 0.274 nan 8.290 nan 0.000 0.552 197 I N 0.942 121.537 120.570 0.041 0.000 2.163 197 I HA -0.097 4.073 4.170 -0.000 0.000 0.243 197 I C 2.787 178.946 176.117 0.071 0.000 1.085 197 I CA 0.999 62.322 61.300 0.038 0.000 1.347 197 I CB -1.123 36.873 38.000 -0.007 0.000 1.044 197 I HN 0.165 nan 8.210 nan 0.000 0.408 198 L N -1.276 119.999 121.223 0.085 0.000 2.313 198 L HA -0.185 4.155 4.340 -0.000 0.000 0.214 198 L C 2.564 179.517 176.870 0.138 0.000 1.119 198 L CA 0.749 55.654 54.840 0.108 0.000 0.809 198 L CB -0.635 41.492 42.059 0.114 0.000 0.933 198 L HN 0.155 nan 8.230 nan 0.000 0.449 199 Y N 0.669 120.987 120.300 0.030 0.000 2.286 199 Y HA -0.090 4.460 4.550 -0.000 0.000 0.293 199 Y C 2.475 178.391 175.900 0.026 0.000 1.124 199 Y CA 1.083 59.201 58.100 0.030 0.000 1.178 199 Y CB 0.046 38.524 38.460 0.031 0.000 1.010 199 Y HN 0.075 nan 8.280 nan 0.000 0.536 200 A N -0.379 122.579 122.820 0.229 0.000 2.067 200 A HA 0.118 4.438 4.320 -0.000 0.000 0.217 200 A C 2.200 179.825 177.584 0.068 0.000 1.156 200 A CA 1.172 53.293 52.037 0.141 0.000 0.683 200 A CB -0.978 18.092 19.000 0.115 0.000 0.808 200 A HN 0.503 nan 8.150 nan 0.000 0.455 201 A N -0.186 122.672 122.820 0.062 0.000 1.878 201 A HA 0.020 4.339 4.320 -0.000 0.000 0.213 201 A C 2.197 179.791 177.584 0.017 0.000 1.192 201 A CA 0.966 53.029 52.037 0.044 0.000 0.619 201 A CB -0.400 18.636 19.000 0.060 0.000 0.837 201 A HN 0.432 nan 8.150 nan 0.000 0.446 202 R N -0.267 120.228 120.500 -0.008 0.000 2.096 202 R HA -0.207 4.133 4.340 -0.000 0.000 0.240 202 R C 1.967 178.229 176.300 -0.062 0.000 1.139 202 R CA 1.781 57.853 56.100 -0.047 0.000 0.952 202 R CB -0.547 29.691 30.300 -0.104 0.000 0.854 202 R HN 0.633 nan 8.270 nan 0.000 0.436 203 D N 0.153 120.499 120.400 -0.091 0.000 2.230 203 D HA -0.181 4.459 4.640 -0.000 0.000 0.189 203 D C 1.531 177.831 176.300 0.001 0.000 1.006 203 D CA 2.230 56.193 54.000 -0.063 0.000 0.853 203 D CB 0.005 40.785 40.800 -0.033 0.000 0.959 203 D HN 0.182 nan 8.370 nan 0.000 0.449 204 V N -2.933 116.993 119.914 0.020 0.000 3.633 204 V HA 0.284 4.404 4.120 -0.000 0.000 0.283 204 V C 1.341 177.452 176.094 0.029 0.000 1.305 204 V CA 0.917 63.239 62.300 0.037 0.000 1.153 204 V CB 0.199 32.045 31.823 0.039 0.000 0.950 204 V HN 0.071 nan 8.190 nan 0.000 0.432 205 T N 0.262 114.826 114.554 0.017 0.000 3.023 205 T HA 0.578 4.928 4.350 -0.000 0.000 0.253 205 T C 1.309 176.016 174.700 0.011 0.000 1.038 205 T CA 0.754 62.864 62.100 0.017 0.000 0.962 205 T CB 0.433 69.312 68.868 0.020 0.000 1.018 205 T HN 1.265 nan 8.240 nan 0.000 0.521 206 A N 1.278 124.101 122.820 0.005 0.000 3.080 206 A HA -0.186 4.134 4.320 -0.000 0.000 0.254 206 A C 1.314 178.896 177.584 -0.003 0.000 1.277 206 A CA 1.460 53.497 52.037 0.001 0.000 1.065 206 A CB -2.682 16.322 19.000 0.007 0.000 1.160 206 A HN 0.683 nan 8.150 nan 0.000 0.886 207 T N -2.834 111.715 114.554 -0.009 0.000 3.243 207 T HA 0.480 4.830 4.350 -0.000 0.000 0.264 207 T C 1.245 175.924 174.700 -0.035 0.000 1.000 207 T CA 0.520 62.614 62.100 -0.010 0.000 0.901 207 T CB 0.362 69.232 68.868 0.003 0.000 1.083 207 T HN 0.545 nan 8.240 nan 0.000 0.559 208 V N 2.570 122.448 119.914 -0.059 0.000 2.307 208 V HA -0.053 4.067 4.120 -0.000 0.000 0.245 208 V C 1.324 177.342 176.094 -0.125 0.000 1.045 208 V CA 1.749 63.982 62.300 -0.111 0.000 1.024 208 V CB -0.441 31.309 31.823 -0.122 0.000 0.651 208 V HN 0.777 nan 8.190 nan 0.000 0.449 209 D N 0.384 120.720 120.400 -0.107 0.000 2.453 209 D HA 0.212 4.851 4.640 -0.000 0.000 0.223 209 D C -0.315 175.966 176.300 -0.031 0.000 1.183 209 D CA 0.305 54.209 54.000 -0.160 0.000 0.933 209 D CB 1.155 41.868 40.800 -0.146 0.000 1.038 209 D HN 0.168 nan 8.370 nan 0.000 0.513 210 S N 3.284 118.971 115.700 -0.022 0.000 2.677 210 S HA 0.135 4.605 4.470 -0.000 0.000 0.283 210 S C 0.818 175.482 174.600 0.107 0.000 1.159 210 S CA -0.838 57.407 58.200 0.076 0.000 1.001 210 S CB 1.077 64.304 63.200 0.044 0.000 1.032 210 S HN 0.382 nan 8.310 nan 0.000 0.487 211 L N 6.678 128.031 121.223 0.217 0.000 2.021 211 L HA 0.003 4.343 4.340 -0.000 0.000 0.215 211 L C -0.815 176.129 176.870 0.123 0.000 1.074 211 L CA 2.526 57.499 54.840 0.221 0.000 0.760 211 L CB -1.625 40.552 42.059 0.197 0.000 0.889 211 L HN 0.564 nan 8.230 nan 0.000 0.433 212 P HA -0.133 nan 4.420 nan 0.000 0.220 212 P C 2.240 179.579 177.300 0.065 0.000 1.152 212 P CA 1.132 64.274 63.100 0.070 0.000 0.812 212 P CB 0.064 31.797 31.700 0.057 0.000 0.792 213 L N -1.109 120.148 121.223 0.058 0.000 2.156 213 L HA -0.083 4.256 4.340 -0.000 0.000 0.208 213 L C 2.615 179.516 176.870 0.051 0.000 1.095 213 L CA 0.845 55.716 54.840 0.052 0.000 0.770 213 L CB -0.551 41.528 42.059 0.033 0.000 0.914 213 L HN -0.089 nan 8.230 nan 0.000 0.439 214 I N -0.362 120.231 120.570 0.039 0.000 2.400 214 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 214 I C 2.469 178.632 176.117 0.077 0.000 1.109 214 I CA 1.348 62.674 61.300 0.042 0.000 1.425 214 I CB -0.871 37.123 38.000 -0.011 0.000 1.094 214 I HN 0.226 nan 8.210 nan 0.000 0.425 215 T N 1.567 116.167 114.554 0.077 0.000 2.635 215 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 215 T C 2.026 176.768 174.700 0.070 0.000 1.040 215 T CA 1.760 63.907 62.100 0.077 0.000 1.156 215 T CB -0.511 68.401 68.868 0.073 0.000 0.863 215 T HN 0.414 nan 8.240 nan 0.000 0.430 216 A N 1.396 124.258 122.820 0.070 0.000 1.851 216 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 216 A C 2.601 180.230 177.584 0.076 0.000 1.195 216 A CA 2.481 54.559 52.037 0.068 0.000 0.622 216 A CB -1.427 17.618 19.000 0.075 0.000 0.831 216 A HN 0.473 nan 8.150 nan 0.000 0.444 217 S N -0.536 115.226 115.700 0.105 0.000 2.380 217 S HA -0.189 4.281 4.470 -0.000 0.000 0.229 217 S C 1.848 176.516 174.600 0.113 0.000 1.043 217 S CA 1.830 60.120 58.200 0.151 0.000 1.038 217 S CB -0.614 62.730 63.200 0.239 0.000 0.872 217 S HN 0.455 nan 8.310 nan 0.000 0.456 218 I N 0.679 121.308 120.570 0.098 0.000 2.185 218 I HA -0.058 4.112 4.170 -0.000 0.000 0.235 218 I C 2.275 178.354 176.117 -0.063 0.000 1.069 218 I CA 0.883 62.193 61.300 0.017 0.000 1.354 218 I CB -0.524 37.552 38.000 0.127 0.000 1.093 218 I HN 0.234 nan 8.210 nan 0.000 0.411 219 L N 1.044 122.265 121.223 -0.003 0.000 2.189 219 L HA -0.249 4.091 4.340 -0.000 0.000 0.214 219 L C 2.799 179.662 176.870 -0.012 0.000 1.097 219 L CA 1.637 56.474 54.840 -0.005 0.000 0.764 219 L CB -0.786 41.286 42.059 0.023 0.000 0.900 219 L HN 0.467 nan 8.230 nan 0.000 0.436 220 S N -0.087 115.611 115.700 -0.003 0.000 2.335 220 S HA -0.221 4.249 4.470 -0.000 0.000 0.216 220 S C 1.918 176.503 174.600 -0.025 0.000 1.032 220 S CA 0.832 59.031 58.200 -0.001 0.000 1.000 220 S CB -0.376 62.834 63.200 0.017 0.000 0.928 220 S HN 0.306 nan 8.310 nan 0.000 0.434 221 K N 0.867 121.236 120.400 -0.053 0.000 2.281 221 K HA 0.004 4.324 4.320 -0.000 0.000 0.203 221 K C 1.926 178.480 176.600 -0.076 0.000 1.046 221 K CA 1.035 57.277 56.287 -0.075 0.000 0.938 221 K CB 0.016 32.442 32.500 -0.123 0.000 0.737 221 K HN 0.244 nan 8.250 nan 0.000 0.458 222 K N 0.311 120.659 120.400 -0.087 0.000 2.242 222 K HA 0.055 4.375 4.320 -0.000 0.000 0.200 222 K C 1.944 178.545 176.600 0.003 0.000 1.050 222 K CA 0.525 56.781 56.287 -0.053 0.000 0.981 222 K CB -0.084 32.372 32.500 -0.073 0.000 0.795 222 K HN 0.124 nan 8.250 nan 0.000 0.477 223 L N 0.791 122.015 121.223 0.002 0.000 2.083 223 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 223 L C 2.193 179.081 176.870 0.030 0.000 1.083 223 L CA 0.818 55.669 54.840 0.019 0.000 0.752 223 L CB -0.336 41.731 42.059 0.013 0.000 0.899 223 L HN -0.135 nan 8.230 nan 0.000 0.433 224 V N -0.379 119.547 119.914 0.019 0.000 2.515 224 V HA -0.257 3.862 4.120 -0.000 0.000 0.250 224 V C 2.123 178.252 176.094 0.059 0.000 1.058 224 V CA 1.581 63.890 62.300 0.015 0.000 1.064 224 V CB -0.491 31.329 31.823 -0.004 0.000 0.675 224 V HN 0.481 nan 8.190 nan 0.000 0.461 225 E N 0.533 120.799 120.200 0.110 0.000 2.463 225 E HA 0.029 4.379 4.350 -0.000 0.000 0.201 225 E C 1.331 178.160 176.600 0.382 0.000 1.045 225 E CA 0.426 56.974 56.400 0.247 0.000 0.872 225 E CB -0.297 29.509 29.700 0.177 0.000 0.797 225 E HN 0.649 nan 8.360 nan 0.000 0.538 226 G N 2.056 111.001 108.800 0.241 0.000 2.220 226 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.248 226 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.248 226 G C -0.310 174.733 174.900 0.238 0.000 0.791 226 G CA 0.210 45.465 45.100 0.259 0.000 1.197 226 G HN 0.121 nan 8.290 nan 0.000 0.336 227 L N 1.299 122.596 121.223 0.123 0.000 2.346 227 L HA 0.537 4.877 4.340 -0.000 0.000 0.274 227 L C 1.579 178.468 176.870 0.030 0.000 1.007 227 L CA -0.327 54.547 54.840 0.056 0.000 0.818 227 L CB 1.768 43.844 42.059 0.030 0.000 1.284 227 L HN 0.406 nan 8.230 nan 0.000 0.424 228 S N 1.727 117.429 115.700 0.003 0.000 2.402 228 S HA 0.118 4.588 4.470 -0.000 0.000 0.229 228 S C 0.513 175.097 174.600 -0.027 0.000 1.021 228 S CA 1.008 59.204 58.200 -0.006 0.000 0.974 228 S CB 0.123 63.315 63.200 -0.013 0.000 0.800 228 S HN 0.778 nan 8.310 nan 0.000 0.484 229 A N 0.327 123.124 122.820 -0.038 0.000 2.612 229 A HA 0.670 4.990 4.320 -0.000 0.000 0.293 229 A C -1.600 175.970 177.584 -0.023 0.000 1.075 229 A CA -0.660 51.351 52.037 -0.043 0.000 0.680 229 A CB 1.345 20.295 19.000 -0.083 0.000 1.279 229 A HN 0.491 nan 8.150 nan 0.000 0.411 230 L N 1.358 122.580 121.223 -0.002 0.000 2.472 230 L HA 0.804 5.144 4.340 -0.000 0.000 0.260 230 L C -1.892 175.008 176.870 0.049 0.000 0.963 230 L CA -0.458 54.395 54.840 0.022 0.000 0.829 230 L CB 1.727 43.801 42.059 0.025 0.000 1.348 230 L HN 0.625 nan 8.230 nan 0.000 0.408 231 V N 4.446 124.400 119.914 0.066 0.000 2.540 231 V HA 0.575 4.695 4.120 -0.000 0.000 0.302 231 V C -0.284 175.871 176.094 0.102 0.000 1.035 231 V CA -0.679 61.677 62.300 0.094 0.000 0.873 231 V CB 2.105 33.993 31.823 0.108 0.000 0.992 231 V HN 0.521 nan 8.190 nan 0.000 0.428 232 V N 2.849 122.824 119.914 0.102 0.000 2.384 232 V HA 0.370 4.490 4.120 -0.000 0.000 0.287 232 V C -0.283 175.856 176.094 0.076 0.000 1.020 232 V CA -0.543 61.821 62.300 0.107 0.000 0.850 232 V CB 1.744 33.632 31.823 0.109 0.000 0.987 232 V HN 0.889 nan 8.190 nan 0.000 0.436 233 D N 4.209 124.643 120.400 0.056 0.000 2.352 233 D HA 0.192 4.832 4.640 -0.000 0.000 0.245 233 D C -0.417 175.882 176.300 -0.002 0.000 1.224 233 D CA 0.144 54.148 54.000 0.007 0.000 0.879 233 D CB 1.367 42.160 40.800 -0.013 0.000 1.057 233 D HN 0.274 nan 8.370 nan 0.000 0.491 234 V N 6.149 126.062 119.914 -0.001 0.000 2.304 234 V HA 0.146 4.266 4.120 -0.000 0.000 0.269 234 V C 0.410 176.512 176.094 0.013 0.000 1.036 234 V CA -0.853 61.469 62.300 0.036 0.000 0.840 234 V CB 0.849 32.724 31.823 0.087 0.000 1.036 234 V HN 0.323 nan 8.190 nan 0.000 0.466 235 K N 5.442 125.831 120.400 -0.017 0.000 2.270 235 K HA 0.459 4.779 4.320 -0.000 0.000 0.276 235 K C -0.570 176.067 176.600 0.061 0.000 1.023 235 K CA -0.078 56.161 56.287 -0.079 0.000 0.955 235 K CB 0.885 33.333 32.500 -0.087 0.000 0.975 235 K HN 0.567 nan 8.250 nan 0.000 0.471 236 F N -1.880 118.076 119.950 0.011 0.000 2.561 236 F HA 0.749 5.275 4.527 -0.000 0.000 0.313 236 F C -0.066 175.750 175.800 0.027 0.000 1.126 236 F CA -0.991 57.030 58.000 0.035 0.000 0.918 236 F CB 1.968 40.981 39.000 0.022 0.000 1.199 236 F HN 0.702 nan 8.300 nan 0.000 0.444 237 G N 1.149 110.140 108.800 0.317 0.000 2.333 237 G HA2 0.423 4.383 3.960 -0.000 0.000 0.330 237 G HA3 0.423 4.383 3.960 -0.000 0.000 0.330 237 G C 0.409 175.387 174.900 0.130 0.000 1.465 237 G CA -0.222 45.005 45.100 0.211 0.000 0.996 237 G HN 1.378 nan 8.290 nan 0.000 0.655 238 G N 0.007 108.864 108.800 0.095 0.000 2.661 238 G HA2 0.051 4.011 3.960 -0.000 0.000 0.224 238 G HA3 0.051 4.011 3.960 -0.000 0.000 0.224 238 G C 1.777 176.716 174.900 0.064 0.000 1.114 238 G CA 2.967 48.106 45.100 0.064 0.000 0.751 238 G HN 1.987 nan 8.290 nan 0.000 0.609 239 A N -0.257 122.611 122.820 0.080 0.000 2.220 239 A HA 0.749 5.069 4.320 -0.000 0.000 0.211 239 A C 1.550 179.243 177.584 0.182 0.000 1.176 239 A CA 1.041 53.154 52.037 0.126 0.000 0.834 239 A CB -0.064 18.990 19.000 0.089 0.000 0.868 239 A HN 0.954 nan 8.150 nan 0.000 0.488 240 A N -0.369 122.522 122.820 0.118 0.000 2.425 240 A HA 0.409 4.729 4.320 -0.000 0.000 0.242 240 A C 1.363 179.017 177.584 0.115 0.000 1.077 240 A CA 0.077 52.169 52.037 0.091 0.000 0.781 240 A CB 0.221 19.291 19.000 0.117 0.000 1.020 240 A HN 0.486 nan 8.150 nan 0.000 0.494 241 V N 0.663 120.577 119.914 -0.001 0.000 2.688 241 V HA -0.168 3.951 4.120 -0.000 0.000 0.256 241 V C 0.581 176.626 176.094 -0.081 0.000 1.084 241 V CA 1.539 63.776 62.300 -0.104 0.000 1.103 241 V CB -1.088 30.538 31.823 -0.329 0.000 0.688 241 V HN 0.636 nan 8.190 nan 0.000 0.480 242 F N -0.285 119.707 119.950 0.069 0.000 2.550 242 F HA 0.341 4.868 4.527 -0.000 0.000 0.348 242 F C -1.830 174.016 175.800 0.075 0.000 1.219 242 F CA -1.879 56.157 58.000 0.060 0.000 1.203 242 F CB 1.510 40.543 39.000 0.054 0.000 1.436 242 F HN 0.108 nan 8.300 nan 0.000 0.541 243 P HA -0.169 nan 4.420 nan 0.000 0.231 243 P C -0.378 177.001 177.300 0.131 0.000 1.154 243 P CA 1.013 64.212 63.100 0.165 0.000 0.762 243 P CB -0.141 31.625 31.700 0.111 0.000 0.790 244 N N -0.381 118.391 118.700 0.121 0.000 2.425 244 N HA 0.035 4.775 4.740 -0.000 0.000 0.268 244 N C 1.168 176.664 175.510 -0.024 0.000 0.991 244 N CA -0.499 52.563 53.050 0.021 0.000 0.931 244 N CB 0.511 38.972 38.487 -0.044 0.000 1.130 244 N HN -0.228 nan 8.380 nan 0.000 0.493 245 Q N 1.696 121.441 119.800 -0.092 0.000 1.935 245 Q HA -0.172 4.167 4.340 -0.000 0.000 0.212 245 Q C -0.015 175.841 176.000 -0.240 0.000 1.008 245 Q CA 1.748 57.398 55.803 -0.256 0.000 0.868 245 Q CB -0.110 28.466 28.738 -0.270 0.000 0.946 245 Q HN 0.670 nan 8.270 nan 0.000 0.418 246 E N 0.734 120.825 120.200 -0.181 0.000 2.379 246 E HA -0.042 4.308 4.350 -0.000 0.000 0.209 246 E C 0.759 177.270 176.600 -0.148 0.000 1.284 246 E CA 0.165 56.473 56.400 -0.154 0.000 1.333 246 E CB 0.131 29.756 29.700 -0.124 0.000 1.307 246 E HN 0.433 nan 8.360 nan 0.000 0.441 247 Q N -1.036 118.665 119.800 -0.165 0.000 2.519 247 Q HA 0.187 4.527 4.340 -0.000 0.000 0.248 247 Q C 1.468 177.343 176.000 -0.209 0.000 0.804 247 Q CA 0.465 56.109 55.803 -0.265 0.000 0.979 247 Q CB 0.285 28.798 28.738 -0.375 0.000 1.282 247 Q HN 0.198 nan 8.270 nan 0.000 0.558 248 A N 0.725 123.533 122.820 -0.020 0.000 2.239 248 A HA 0.011 4.331 4.320 -0.000 0.000 0.209 248 A C 1.723 179.373 177.584 0.109 0.000 1.171 248 A CA 0.535 52.687 52.037 0.191 0.000 0.768 248 A CB -0.252 18.930 19.000 0.304 0.000 0.790 248 A HN 0.272 nan 8.150 nan 0.000 0.478 249 R N -0.755 119.746 120.500 0.001 0.000 2.175 249 R HA 0.014 4.354 4.340 -0.000 0.000 0.202 249 R C 1.294 177.594 176.300 -0.000 0.000 1.018 249 R CA 0.542 56.637 56.100 -0.009 0.000 1.029 249 R CB 0.076 30.338 30.300 -0.064 0.000 0.959 249 R HN 0.373 nan 8.270 nan 0.000 0.480 250 E N 0.988 121.170 120.200 -0.030 0.000 2.204 250 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 250 E C 1.850 178.468 176.600 0.031 0.000 0.989 250 E CA 0.655 57.042 56.400 -0.021 0.000 0.824 250 E CB -0.104 29.554 29.700 -0.069 0.000 0.756 250 E HN 0.228 nan 8.360 nan 0.000 0.477 251 L N 0.833 122.103 121.223 0.078 0.000 2.072 251 L HA 0.062 4.402 4.340 -0.000 0.000 0.205 251 L C 2.167 179.107 176.870 0.116 0.000 1.079 251 L CA 1.889 56.821 54.840 0.154 0.000 0.752 251 L CB -0.737 41.503 42.059 0.302 0.000 0.906 251 L HN 0.005 nan 8.230 nan 0.000 0.436 252 A N -0.239 122.641 122.820 0.100 0.000 1.902 252 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 252 A C 2.257 179.882 177.584 0.067 0.000 1.181 252 A CA 1.694 53.781 52.037 0.083 0.000 0.623 252 A CB -0.506 18.537 19.000 0.072 0.000 0.818 252 A HN 0.406 nan 8.150 nan 0.000 0.443 253 K N -0.515 119.916 120.400 0.053 0.000 1.973 253 K HA -0.095 4.225 4.320 -0.000 0.000 0.212 253 K C 2.139 178.768 176.600 0.048 0.000 1.047 253 K CA 1.896 58.209 56.287 0.043 0.000 0.937 253 K CB -1.396 31.120 32.500 0.027 0.000 0.721 253 K HN 0.489 nan 8.250 nan 0.000 0.440 254 T N 2.819 117.403 114.554 0.051 0.000 2.685 254 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 254 T C 2.069 176.804 174.700 0.060 0.000 1.034 254 T CA 1.285 63.418 62.100 0.054 0.000 1.149 254 T CB -0.272 68.635 68.868 0.065 0.000 0.860 254 T HN 0.099 nan 8.240 nan 0.000 0.449 255 L N 0.090 121.355 121.223 0.070 0.000 2.005 255 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 255 L C 2.692 179.599 176.870 0.062 0.000 1.072 255 L CA 1.049 55.931 54.840 0.070 0.000 0.744 255 L CB -0.471 41.638 42.059 0.083 0.000 0.895 255 L HN 0.133 nan 8.230 nan 0.000 0.433 256 V N -0.252 119.700 119.914 0.062 0.000 2.548 256 V HA -0.133 3.987 4.120 -0.000 0.000 0.249 256 V C 2.280 178.404 176.094 0.051 0.000 1.055 256 V CA 1.907 64.243 62.300 0.060 0.000 1.065 256 V CB -0.202 31.661 31.823 0.067 0.000 0.681 256 V HN 0.552 nan 8.190 nan 0.000 0.462 257 G N -1.130 107.699 108.800 0.047 0.000 2.448 257 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.218 257 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.218 257 G C 1.508 176.430 174.900 0.037 0.000 1.135 257 G CA 1.213 46.337 45.100 0.040 0.000 0.784 257 G HN 0.441 nan 8.290 nan 0.000 0.543 258 V N 0.789 120.727 119.914 0.040 0.000 2.672 258 V HA 0.133 4.253 4.120 -0.000 0.000 0.242 258 V C 3.063 179.178 176.094 0.035 0.000 1.059 258 V CA 1.360 63.682 62.300 0.037 0.000 1.081 258 V CB -0.468 31.379 31.823 0.040 0.000 0.752 258 V HN 0.367 nan 8.190 nan 0.000 0.472 259 G N 0.278 109.101 108.800 0.038 0.000 2.469 259 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.220 259 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.220 259 G C 1.714 176.633 174.900 0.031 0.000 1.136 259 G CA 1.346 46.467 45.100 0.035 0.000 0.759 259 G HN 0.587 nan 8.290 nan 0.000 0.562 260 A N 1.246 124.086 122.820 0.033 0.000 1.873 260 A HA 0.007 4.327 4.320 -0.000 0.000 0.215 260 A C 2.735 180.334 177.584 0.025 0.000 1.186 260 A CA 2.450 54.504 52.037 0.029 0.000 0.616 260 A CB -0.828 18.191 19.000 0.031 0.000 0.823 260 A HN 0.835 nan 8.150 nan 0.000 0.442 261 S N -0.248 115.467 115.700 0.026 0.000 2.469 261 S HA -0.012 4.458 4.470 -0.000 0.000 0.238 261 S C 1.388 176.001 174.600 0.022 0.000 0.998 261 S CA 1.321 59.535 58.200 0.023 0.000 0.957 261 S CB -0.524 62.690 63.200 0.023 0.000 0.764 261 S HN 0.410 nan 8.310 nan 0.000 0.514 262 L N 0.738 121.975 121.223 0.024 0.000 2.592 262 L HA 0.382 4.722 4.340 -0.000 0.000 0.227 262 L C 1.840 178.724 176.870 0.022 0.000 1.127 262 L CA 0.339 55.193 54.840 0.023 0.000 0.884 262 L CB -0.265 41.808 42.059 0.024 0.000 1.065 262 L HN 0.564 nan 8.230 nan 0.000 0.457 263 G N 0.158 108.971 108.800 0.022 0.000 2.175 263 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.244 263 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.244 263 G C 0.165 175.078 174.900 0.021 0.000 0.982 263 G CA -0.337 44.775 45.100 0.021 0.000 0.641 263 G HN 0.184 nan 8.290 nan 0.000 0.527 264 L N 0.948 122.184 121.223 0.022 0.000 2.326 264 L HA 0.455 4.794 4.340 -0.000 0.000 0.278 264 L C 1.152 178.032 176.870 0.017 0.000 1.092 264 L CA -0.811 54.042 54.840 0.021 0.000 0.810 264 L CB 0.909 42.983 42.059 0.024 0.000 1.153 264 L HN 0.013 nan 8.230 nan 0.000 0.439 265 R N 3.773 124.277 120.500 0.007 0.000 2.608 265 R HA 0.246 4.586 4.340 -0.000 0.000 0.277 265 R C -0.850 175.454 176.300 0.007 0.000 1.341 265 R CA -0.211 55.886 56.100 -0.005 0.000 1.199 265 R CB 0.178 30.459 30.300 -0.033 0.000 1.156 265 R HN 0.486 nan 8.270 nan 0.000 0.558 266 V N -0.450 119.480 119.914 0.028 0.000 2.975 266 V HA 0.961 5.081 4.120 -0.000 0.000 0.318 266 V C -0.226 175.913 176.094 0.074 0.000 1.077 266 V CA -1.104 61.225 62.300 0.049 0.000 1.000 266 V CB 1.986 33.840 31.823 0.051 0.000 1.066 266 V HN 0.556 nan 8.190 nan 0.000 0.452 267 A N 1.680 124.559 122.820 0.099 0.000 2.562 267 A HA 0.819 5.139 4.320 -0.000 0.000 0.297 267 A C -0.028 177.636 177.584 0.133 0.000 1.100 267 A CA -0.007 52.111 52.037 0.135 0.000 0.914 267 A CB 0.201 19.323 19.000 0.203 0.000 1.490 267 A HN 2.285 nan 8.150 nan 0.000 0.391 268 A N 1.190 124.073 122.820 0.106 0.000 2.521 268 A HA 0.592 4.912 4.320 -0.000 0.000 0.237 268 A C 0.737 178.369 177.584 0.081 0.000 1.087 268 A CA 0.597 52.686 52.037 0.087 0.000 0.777 268 A CB 0.237 19.280 19.000 0.072 0.000 1.035 268 A HN 2.450 nan 8.150 nan 0.000 0.510 269 A N 1.514 124.350 122.820 0.027 0.000 2.651 269 A HA 0.544 4.864 4.320 -0.000 0.000 0.290 269 A C -0.560 176.879 177.584 -0.242 0.000 1.185 269 A CA -0.454 51.527 52.037 -0.093 0.000 0.746 269 A CB 0.212 19.242 19.000 0.051 0.000 1.213 269 A HN 0.741 nan 8.150 nan 0.000 0.429 270 L N 3.138 124.217 121.223 -0.240 0.000 2.433 270 L HA 0.334 4.674 4.340 -0.000 0.000 0.275 270 L C 1.100 177.775 176.870 -0.325 0.000 1.128 270 L CA 0.309 55.089 54.840 -0.099 0.000 0.875 270 L CB 0.587 42.746 42.059 0.167 0.000 1.171 270 L HN 0.857 nan 8.230 nan 0.000 0.463 271 T N 0.642 114.942 114.554 -0.423 0.000 2.807 271 T HA 0.888 5.238 4.350 -0.000 0.000 0.277 271 T C -0.331 173.726 174.700 -1.073 0.000 1.006 271 T CA -0.721 61.036 62.100 -0.572 0.000 1.006 271 T CB 2.080 70.750 68.868 -0.331 0.000 1.274 271 T HN 0.529 nan 8.240 nan 0.000 0.569 272 A N 0.560 122.873 122.820 -0.846 0.000 2.384 272 A HA 0.818 5.138 4.320 -0.000 0.000 0.312 272 A C -0.409 176.964 177.584 -0.353 0.000 1.113 272 A CA -1.021 50.501 52.037 -0.859 0.000 0.779 272 A CB 1.375 19.984 19.000 -0.652 0.000 1.307 272 A HN 0.818 nan 8.150 nan 0.000 0.436 273 M N 1.984 121.456 119.600 -0.214 0.000 3.093 273 M HA 0.159 4.639 4.480 -0.000 0.000 0.336 273 M C -0.916 175.372 176.300 -0.019 0.000 1.637 273 M CA -0.154 55.090 55.300 -0.092 0.000 0.543 273 M CB 0.671 33.228 32.600 -0.072 0.000 1.571 273 M HN 0.838 nan 8.290 nan 0.000 0.431 274 D N 1.681 122.075 120.400 -0.009 0.000 2.320 274 D HA 0.042 4.682 4.640 -0.000 0.000 0.228 274 D C 0.728 177.038 176.300 0.017 0.000 0.978 274 D CA 1.058 55.071 54.000 0.022 0.000 0.905 274 D CB 0.643 41.462 40.800 0.032 0.000 1.051 274 D HN 0.466 nan 8.370 nan 0.000 0.471 275 K N 1.269 121.673 120.400 0.007 0.000 2.090 275 K HA 0.431 4.751 4.320 -0.000 0.000 0.249 275 K C -2.655 173.946 176.600 0.002 0.000 0.995 275 K CA -1.491 54.803 56.287 0.013 0.000 0.914 275 K CB 1.047 33.555 32.500 0.013 0.000 1.057 275 K HN -0.264 nan 8.250 nan 0.000 0.462 276 P HA -0.064 nan 4.420 nan 0.000 0.286 276 P C -1.007 176.279 177.300 -0.023 0.000 1.278 276 P CA -0.469 62.626 63.100 -0.008 0.000 0.785 276 P CB 0.316 32.013 31.700 -0.005 0.000 1.269 277 L N -0.439 120.763 121.223 -0.035 0.000 2.404 277 L HA 0.536 4.876 4.340 -0.000 0.000 0.272 277 L C 0.411 177.257 176.870 -0.040 0.000 0.980 277 L CA 0.571 55.387 54.840 -0.039 0.000 0.836 277 L CB 0.077 42.105 42.059 -0.051 0.000 1.238 277 L HN 0.758 nan 8.230 nan 0.000 0.408 278 G N 5.640 114.420 108.800 -0.032 0.000 2.499 278 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.232 278 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.232 278 G C 0.274 175.156 174.900 -0.031 0.000 1.251 278 G CA 0.183 45.262 45.100 -0.035 0.000 0.917 278 G HN 0.698 nan 8.290 nan 0.000 0.580 279 R N -1.444 119.032 120.500 -0.040 0.000 2.582 279 R HA 0.317 4.657 4.340 -0.000 0.000 0.285 279 R C 0.022 176.281 176.300 -0.069 0.000 0.940 279 R CA 0.458 56.534 56.100 -0.039 0.000 1.072 279 R CB 0.689 30.972 30.300 -0.029 0.000 1.527 279 R HN 0.493 nan 8.270 nan 0.000 0.538 280 C N 1.962 121.213 119.300 -0.082 0.000 2.295 280 C HA 0.642 5.102 4.460 -0.000 0.000 0.331 280 C C 0.216 175.132 174.990 -0.123 0.000 1.280 280 C CA -0.786 58.163 59.018 -0.115 0.000 1.746 280 C CB 1.339 29.016 27.740 -0.106 0.000 2.328 280 C HN 0.018 nan 8.230 nan 0.000 0.521 281 V N 3.645 123.467 119.914 -0.152 0.000 2.483 281 V HA 0.955 5.075 4.120 -0.000 0.000 0.297 281 V C 0.553 176.516 176.094 -0.218 0.000 1.027 281 V CA 0.669 62.876 62.300 -0.156 0.000 0.855 281 V CB 0.952 32.706 31.823 -0.115 0.000 0.995 281 V HN 1.314 nan 8.190 nan 0.000 0.424 282 G N 3.286 111.907 108.800 -0.299 0.000 2.534 282 G HA2 0.128 4.088 3.960 -0.000 0.000 0.142 282 G HA3 0.128 4.088 3.960 -0.000 0.000 0.142 282 G C -0.166 174.298 174.900 -0.727 0.000 1.178 282 G CA 0.097 44.888 45.100 -0.514 0.000 1.037 282 G HN 0.531 nan 8.290 nan 0.000 0.474 283 H N -0.841 118.207 119.070 -0.037 0.000 2.027 283 H HA 0.423 4.979 4.556 -0.000 0.000 0.209 283 H C 2.729 178.038 175.328 -0.031 0.000 0.903 283 H CA 1.007 57.035 56.048 -0.033 0.000 1.078 283 H CB -0.126 29.622 29.762 -0.023 0.000 1.248 283 H HN 0.632 nan 8.280 nan 0.000 0.432 284 A N 2.052 124.938 122.820 0.110 0.000 1.968 284 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 284 A C 2.468 180.062 177.584 0.016 0.000 1.169 284 A CA 0.843 52.915 52.037 0.059 0.000 0.638 284 A CB -0.736 18.304 19.000 0.067 0.000 0.812 284 A HN 0.171 nan 8.150 nan 0.000 0.446 285 L N -0.815 120.396 121.223 -0.020 0.000 1.988 285 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 285 L C 2.565 179.396 176.870 -0.065 0.000 1.071 285 L CA 1.695 56.501 54.840 -0.057 0.000 0.744 285 L CB -1.022 40.957 42.059 -0.133 0.000 0.893 285 L HN 0.445 nan 8.230 nan 0.000 0.433 286 E N 0.052 120.200 120.200 -0.087 0.000 2.114 286 E HA -0.238 4.111 4.350 -0.000 0.000 0.199 286 E C 2.264 178.824 176.600 -0.066 0.000 1.008 286 E CA 1.574 57.923 56.400 -0.086 0.000 0.810 286 E CB -0.189 29.451 29.700 -0.100 0.000 0.739 286 E HN 0.250 nan 8.360 nan 0.000 0.456 287 V N 1.525 121.413 119.914 -0.043 0.000 2.287 287 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 287 V C 2.044 178.117 176.094 -0.036 0.000 1.053 287 V CA 2.083 64.365 62.300 -0.030 0.000 1.027 287 V CB -0.498 31.334 31.823 0.014 0.000 0.646 287 V HN 0.289 nan 8.190 nan 0.000 0.447 288 E N -0.140 120.048 120.200 -0.020 0.000 2.097 288 E HA -0.323 4.027 4.350 -0.000 0.000 0.196 288 E C 2.224 178.799 176.600 -0.041 0.000 1.000 288 E CA 1.674 58.064 56.400 -0.017 0.000 0.804 288 E CB -0.199 29.498 29.700 -0.006 0.000 0.740 288 E HN 0.759 nan 8.360 nan 0.000 0.454 289 E N 0.809 120.977 120.200 -0.054 0.000 2.150 289 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 289 E C 2.010 178.561 176.600 -0.082 0.000 0.985 289 E CA 0.878 57.241 56.400 -0.062 0.000 0.814 289 E CB -0.044 29.617 29.700 -0.066 0.000 0.752 289 E HN 0.228 nan 8.360 nan 0.000 0.466 290 A N 1.006 123.764 122.820 -0.105 0.000 1.972 290 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 290 A C 2.155 179.625 177.584 -0.189 0.000 1.169 290 A CA 1.033 52.978 52.037 -0.153 0.000 0.635 290 A CB -0.567 18.319 19.000 -0.189 0.000 0.810 290 A HN 0.330 nan 8.150 nan 0.000 0.446 291 L N -1.116 120.011 121.223 -0.160 0.000 2.046 291 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 291 L C 2.304 179.117 176.870 -0.094 0.000 1.077 291 L CA 0.735 55.490 54.840 -0.141 0.000 0.747 291 L CB -0.609 41.413 42.059 -0.063 0.000 0.896 291 L HN 0.272 nan 8.230 nan 0.000 0.432 292 L N -0.821 120.360 121.223 -0.070 0.000 2.187 292 L HA -0.251 4.089 4.340 -0.000 0.000 0.213 292 L C 2.618 179.453 176.870 -0.057 0.000 1.100 292 L CA 1.386 56.196 54.840 -0.051 0.000 0.765 292 L CB -0.962 41.072 42.059 -0.041 0.000 0.904 292 L HN 0.395 nan 8.230 nan 0.000 0.437 293 C N -0.833 118.420 119.300 -0.078 0.000 2.457 293 C HA -0.100 4.360 4.460 -0.000 0.000 0.278 293 C C 2.819 177.762 174.990 -0.080 0.000 1.309 293 C CA 0.280 59.253 59.018 -0.075 0.000 1.735 293 C CB -0.407 27.279 27.740 -0.089 0.000 1.992 293 C HN 0.466 nan 8.230 nan 0.000 0.493 294 M N 0.587 120.121 119.600 -0.109 0.000 2.229 294 M HA 0.016 4.495 4.480 -0.000 0.000 0.264 294 M C 0.791 177.058 176.300 -0.054 0.000 1.063 294 M CA 1.196 56.435 55.300 -0.101 0.000 1.114 294 M CB -1.500 31.009 32.600 -0.153 0.000 1.387 294 M HN 0.378 nan 8.290 nan 0.000 0.420 295 D N -0.032 120.340 120.400 -0.048 0.000 2.274 295 D HA 0.162 4.802 4.640 -0.000 0.000 0.256 295 D C 1.639 177.924 176.300 -0.025 0.000 1.274 295 D CA 0.858 54.842 54.000 -0.027 0.000 0.998 295 D CB 0.022 40.807 40.800 -0.024 0.000 1.139 295 D HN 0.155 nan 8.370 nan 0.000 0.540 296 G N -0.714 108.076 108.800 -0.017 0.000 2.631 296 G HA2 0.102 4.062 3.960 -0.000 0.000 0.219 296 G HA3 0.102 4.062 3.960 -0.000 0.000 0.219 296 G C 0.113 175.000 174.900 -0.021 0.000 1.214 296 G CA 1.731 46.822 45.100 -0.016 0.000 0.785 296 G HN 0.719 nan 8.290 nan 0.000 0.596 297 A N -3.329 119.477 122.820 -0.023 0.000 2.583 297 A HA 0.669 4.989 4.320 -0.000 0.000 0.292 297 A C 0.102 177.670 177.584 -0.027 0.000 1.045 297 A CA 0.424 52.445 52.037 -0.027 0.000 0.672 297 A CB 0.424 19.411 19.000 -0.022 0.000 1.283 297 A HN 1.189 nan 8.150 nan 0.000 0.419 298 G N -0.374 108.408 108.800 -0.031 0.000 3.267 298 G HA2 0.680 4.640 3.960 -0.000 0.000 0.200 298 G HA3 0.680 4.640 3.960 -0.000 0.000 0.200 298 G C -2.683 172.203 174.900 -0.025 0.000 1.603 298 G CA -0.794 44.288 45.100 -0.030 0.000 0.753 298 G HN 0.605 nan 8.290 nan 0.000 0.755 299 P HA 0.307 nan 4.420 nan 0.000 0.275 299 P C -2.025 175.264 177.300 -0.019 0.000 1.227 299 P CA -1.121 61.967 63.100 -0.021 0.000 0.781 299 P CB 1.712 33.398 31.700 -0.023 0.000 0.906 300 P HA -0.181 nan 4.420 nan 0.000 0.217 300 P C 0.963 178.256 177.300 -0.011 0.000 1.150 300 P CA 1.365 64.458 63.100 -0.012 0.000 0.832 300 P CB -0.016 31.679 31.700 -0.008 0.000 0.787 301 D N -0.521 119.872 120.400 -0.010 0.000 2.120 301 D HA -0.113 4.527 4.640 -0.000 0.000 0.202 301 D C 1.951 178.244 176.300 -0.013 0.000 0.972 301 D CA 0.762 54.757 54.000 -0.008 0.000 0.837 301 D CB -1.216 39.578 40.800 -0.009 0.000 0.989 301 D HN 0.037 nan 8.370 nan 0.000 0.469 302 L N 1.329 122.539 121.223 -0.022 0.000 2.042 302 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 302 L C 2.596 179.449 176.870 -0.028 0.000 1.076 302 L CA 1.647 56.469 54.840 -0.030 0.000 0.749 302 L CB -0.587 41.448 42.059 -0.040 0.000 0.893 302 L HN 0.098 nan 8.230 nan 0.000 0.432 303 R N -0.568 119.917 120.500 -0.026 0.000 2.093 303 R HA -0.155 4.185 4.340 -0.000 0.000 0.224 303 R C 2.050 178.338 176.300 -0.019 0.000 1.101 303 R CA 1.338 57.422 56.100 -0.026 0.000 0.979 303 R CB -0.314 29.971 30.300 -0.026 0.000 0.877 303 R HN 0.366 nan 8.270 nan 0.000 0.441 304 D N 0.843 121.235 120.400 -0.013 0.000 2.078 304 D HA -0.190 4.450 4.640 -0.000 0.000 0.193 304 D C 1.886 178.187 176.300 0.003 0.000 0.990 304 D CA 1.040 55.035 54.000 -0.009 0.000 0.827 304 D CB -0.092 40.708 40.800 -0.001 0.000 0.975 304 D HN 0.231 nan 8.370 nan 0.000 0.451 305 L N 0.826 122.062 121.223 0.022 0.000 2.187 305 L HA -0.129 4.210 4.340 -0.000 0.000 0.213 305 L C 2.346 179.242 176.870 0.043 0.000 1.100 305 L CA 0.871 55.745 54.840 0.057 0.000 0.765 305 L CB -0.356 41.726 42.059 0.038 0.000 0.904 305 L HN -0.026 nan 8.230 nan 0.000 0.437 306 V N -0.006 119.913 119.914 0.009 0.000 2.273 306 V HA -0.254 3.866 4.120 -0.000 0.000 0.242 306 V C 2.829 178.923 176.094 -0.001 0.000 1.035 306 V CA 2.037 64.338 62.300 0.001 0.000 1.013 306 V CB -0.481 31.329 31.823 -0.020 0.000 0.652 306 V HN 0.654 nan 8.190 nan 0.000 0.452 307 T N -2.607 111.939 114.554 -0.014 0.000 2.684 307 T HA -0.253 4.097 4.350 -0.000 0.000 0.267 307 T C 1.816 176.497 174.700 -0.032 0.000 1.036 307 T CA 2.303 64.390 62.100 -0.022 0.000 1.148 307 T CB -0.957 67.893 68.868 -0.030 0.000 0.863 307 T HN 0.436 nan 8.240 nan 0.000 0.436 308 T N 2.428 116.952 114.554 -0.051 0.000 2.622 308 T HA 0.005 4.355 4.350 -0.000 0.000 0.266 308 T C 1.934 176.602 174.700 -0.054 0.000 1.047 308 T CA 1.579 63.608 62.100 -0.119 0.000 1.159 308 T CB -0.703 68.050 68.868 -0.193 0.000 0.863 308 T HN 0.265 nan 8.240 nan 0.000 0.422 309 L N 0.517 121.768 121.223 0.047 0.000 1.956 309 L HA -0.145 4.195 4.340 -0.000 0.000 0.216 309 L C 3.045 179.955 176.870 0.068 0.000 1.073 309 L CA 1.778 56.684 54.840 0.111 0.000 0.762 309 L CB -1.237 40.887 42.059 0.107 0.000 0.889 309 L HN 0.431 nan 8.230 nan 0.000 0.433 310 G N -0.724 108.098 108.800 0.037 0.000 2.513 310 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 310 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 310 G C 1.496 176.413 174.900 0.030 0.000 1.160 310 G CA 1.016 46.131 45.100 0.024 0.000 0.767 310 G HN 0.560 nan 8.290 nan 0.000 0.571 311 G N 1.094 109.906 108.800 0.020 0.000 2.446 311 G HA2 0.002 3.962 3.960 -0.000 0.000 0.217 311 G HA3 0.002 3.962 3.960 -0.000 0.000 0.217 311 G C 2.109 177.060 174.900 0.085 0.000 1.168 311 G CA 1.715 46.834 45.100 0.031 0.000 0.771 311 G HN 0.753 nan 8.290 nan 0.000 0.551 312 A N 0.575 123.442 122.820 0.079 0.000 1.883 312 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 312 A C 2.364 180.102 177.584 0.257 0.000 1.186 312 A CA 1.568 53.711 52.037 0.177 0.000 0.624 312 A CB -0.547 18.551 19.000 0.163 0.000 0.822 312 A HN 0.372 nan 8.150 nan 0.000 0.444 313 L N -0.471 120.841 121.223 0.147 0.000 2.079 313 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 313 L C 2.328 179.214 176.870 0.027 0.000 1.081 313 L CA 1.683 56.573 54.840 0.084 0.000 0.752 313 L CB -0.436 41.646 42.059 0.038 0.000 0.896 313 L HN 0.460 nan 8.230 nan 0.000 0.433 314 L N -1.740 119.508 121.223 0.042 0.000 2.141 314 L HA -0.228 4.111 4.340 -0.000 0.000 0.209 314 L C 2.355 179.272 176.870 0.078 0.000 1.094 314 L CA 1.189 56.031 54.840 0.003 0.000 0.763 314 L CB -0.612 41.474 42.059 0.045 0.000 0.908 314 L HN 0.460 nan 8.230 nan 0.000 0.437 315 W N 0.701 121.997 121.300 -0.007 0.000 2.352 315 W HA -0.248 4.412 4.660 -0.000 0.000 0.322 315 W C 2.340 178.868 176.519 0.014 0.000 1.208 315 W CA 1.147 58.499 57.345 0.011 0.000 1.286 315 W CB -0.581 28.883 29.460 0.006 0.000 1.167 315 W HN -0.063 nan 8.180 nan 0.000 0.469 316 L N 1.731 122.787 121.223 -0.278 0.000 1.978 316 L HA -0.271 4.069 4.340 -0.000 0.000 0.218 316 L C 2.573 179.222 176.870 -0.368 0.000 1.075 316 L CA 3.164 57.672 54.840 -0.553 0.000 0.767 316 L CB -1.809 40.158 42.059 -0.154 0.000 0.890 316 L HN 0.401 nan 8.230 nan 0.000 0.434 317 S N -0.918 114.651 115.700 -0.219 0.000 2.400 317 S HA -0.029 4.441 4.470 -0.000 0.000 0.232 317 S C 1.519 176.065 174.600 -0.090 0.000 1.025 317 S CA 1.149 59.233 58.200 -0.194 0.000 0.993 317 S CB -0.354 62.650 63.200 -0.326 0.000 0.808 317 S HN 0.847 nan 8.310 nan 0.000 0.478 318 G N -0.066 108.706 108.800 -0.046 0.000 2.151 318 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.140 318 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.140 318 G C 0.300 175.365 174.900 0.275 0.000 1.020 318 G CA 0.209 45.356 45.100 0.078 0.000 0.688 318 G HN 0.658 nan 8.290 nan 0.000 0.500 319 H N -0.389 118.662 119.070 -0.032 0.000 2.750 319 H HA 0.542 5.098 4.556 -0.000 0.000 0.263 319 H C 1.481 176.823 175.328 0.024 0.000 0.964 319 H CA 0.442 56.487 56.048 -0.005 0.000 1.205 319 H CB 1.104 30.860 29.762 -0.009 0.000 1.454 319 H HN 0.538 nan 8.280 nan 0.000 0.503 320 A N 0.830 123.758 122.820 0.180 0.000 2.318 320 A HA 0.486 4.805 4.320 -0.000 0.000 0.324 320 A C 1.377 179.077 177.584 0.194 0.000 1.170 320 A CA -0.116 52.019 52.037 0.163 0.000 0.810 320 A CB 1.081 20.186 19.000 0.175 0.000 1.198 320 A HN 0.341 nan 8.150 nan 0.000 0.484 321 G N 1.165 110.054 108.800 0.149 0.000 2.402 321 G HA2 0.218 4.178 3.960 -0.000 0.000 0.216 321 G HA3 0.218 4.178 3.960 -0.000 0.000 0.216 321 G C 0.738 175.773 174.900 0.224 0.000 1.162 321 G CA 1.529 46.725 45.100 0.159 0.000 0.777 321 G HN 1.217 nan 8.290 nan 0.000 0.539 322 T N -3.106 111.541 114.554 0.155 0.000 2.893 322 T HA 0.453 4.803 4.350 -0.000 0.000 0.293 322 T C 0.693 175.406 174.700 0.021 0.000 1.027 322 T CA -0.265 61.874 62.100 0.065 0.000 0.988 322 T CB 2.302 71.170 68.868 0.000 0.000 1.043 322 T HN 0.051 nan 8.240 nan 0.000 0.461 323 Q N 2.586 122.296 119.800 -0.149 0.000 2.173 323 Q HA -0.173 4.167 4.340 -0.000 0.000 0.208 323 Q C 2.115 178.063 176.000 -0.087 0.000 0.989 323 Q CA 2.724 58.443 55.803 -0.140 0.000 0.872 323 Q CB -0.938 27.601 28.738 -0.332 0.000 0.909 323 Q HN 0.950 nan 8.270 nan 0.000 0.420 324 A N -0.396 122.366 122.820 -0.096 0.000 2.066 324 A HA -0.126 4.193 4.320 -0.000 0.000 0.218 324 A C 2.015 179.578 177.584 -0.034 0.000 1.157 324 A CA 1.200 53.192 52.037 -0.075 0.000 0.670 324 A CB -0.462 18.492 19.000 -0.077 0.000 0.804 324 A HN 0.599 nan 8.150 nan 0.000 0.453 325 Q N -0.685 119.111 119.800 -0.006 0.000 2.020 325 Q HA -0.049 4.291 4.340 -0.000 0.000 0.198 325 Q C 2.108 178.123 176.000 0.026 0.000 0.974 325 Q CA 1.266 57.078 55.803 0.016 0.000 0.829 325 Q CB -0.422 28.339 28.738 0.039 0.000 0.894 325 Q HN 0.576 nan 8.270 nan 0.000 0.433 326 G N 0.105 108.934 108.800 0.049 0.000 2.432 326 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 326 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 326 G C 1.343 176.257 174.900 0.024 0.000 1.135 326 G CA 0.765 45.899 45.100 0.056 0.000 0.767 326 G HN 0.459 nan 8.290 nan 0.000 0.550 327 A N 0.511 123.330 122.820 -0.001 0.000 2.172 327 A HA 0.457 4.777 4.320 -0.000 0.000 0.216 327 A C 2.563 180.136 177.584 -0.019 0.000 1.154 327 A CA 1.812 53.834 52.037 -0.023 0.000 0.701 327 A CB -0.281 18.684 19.000 -0.059 0.000 0.789 327 A HN 0.611 nan 8.150 nan 0.000 0.465 328 A N -0.893 121.922 122.820 -0.009 0.000 1.943 328 A HA 0.071 4.391 4.320 -0.000 0.000 0.213 328 A C 2.165 179.748 177.584 -0.001 0.000 1.181 328 A CA 0.938 52.971 52.037 -0.008 0.000 0.653 328 A CB -0.322 18.674 19.000 -0.006 0.000 0.833 328 A HN 0.274 nan 8.150 nan 0.000 0.451 329 R N 0.313 120.818 120.500 0.008 0.000 2.115 329 R HA -0.042 4.297 4.340 -0.000 0.000 0.230 329 R C 1.898 178.202 176.300 0.007 0.000 1.111 329 R CA 1.537 57.644 56.100 0.012 0.000 0.976 329 R CB -0.972 29.342 30.300 0.024 0.000 0.870 329 R HN 0.344 nan 8.270 nan 0.000 0.445 330 V N 0.799 120.716 119.914 0.004 0.000 2.270 330 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 330 V C 2.532 178.621 176.094 -0.009 0.000 1.043 330 V CA 1.826 64.125 62.300 -0.002 0.000 1.014 330 V CB -0.969 30.851 31.823 -0.004 0.000 0.645 330 V HN 0.379 nan 8.190 nan 0.000 0.447 331 A N 0.122 122.935 122.820 -0.012 0.000 1.892 331 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 331 A C 2.439 180.016 177.584 -0.012 0.000 1.188 331 A CA 2.555 54.582 52.037 -0.016 0.000 0.631 331 A CB -1.007 17.982 19.000 -0.018 0.000 0.822 331 A HN 0.614 nan 8.150 nan 0.000 0.447 332 A N -0.030 122.785 122.820 -0.008 0.000 1.859 332 A HA -0.010 4.309 4.320 -0.000 0.000 0.218 332 A C 2.581 180.162 177.584 -0.005 0.000 1.209 332 A CA 3.020 55.054 52.037 -0.005 0.000 0.639 332 A CB -1.426 17.573 19.000 -0.001 0.000 0.835 332 A HN 1.393 nan 8.150 nan 0.000 0.450 333 A N -0.734 122.084 122.820 -0.004 0.000 2.042 333 A HA -0.115 4.205 4.320 -0.000 0.000 0.222 333 A C 2.145 179.723 177.584 -0.009 0.000 1.167 333 A CA 1.718 53.753 52.037 -0.003 0.000 0.649 333 A CB -0.664 18.335 19.000 -0.002 0.000 0.809 333 A HN 0.538 nan 8.150 nan 0.000 0.457 334 L N -0.979 120.235 121.223 -0.015 0.000 2.093 334 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 334 L C 2.002 178.861 176.870 -0.019 0.000 1.085 334 L CA 1.360 56.186 54.840 -0.023 0.000 0.755 334 L CB -0.562 41.480 42.059 -0.028 0.000 0.904 334 L HN 0.368 nan 8.230 nan 0.000 0.435 335 D N 0.120 120.511 120.400 -0.014 0.000 2.144 335 D HA -0.145 4.495 4.640 -0.000 0.000 0.207 335 D C 1.478 177.774 176.300 -0.006 0.000 0.970 335 D CA 1.447 55.441 54.000 -0.011 0.000 0.853 335 D CB -0.233 40.561 40.800 -0.009 0.000 1.007 335 D HN 0.419 nan 8.370 nan 0.000 0.469 336 D N 0.077 120.475 120.400 -0.004 0.000 2.392 336 D HA -0.023 4.617 4.640 -0.000 0.000 0.228 336 D C 1.473 177.775 176.300 0.003 0.000 1.003 336 D CA 1.089 55.089 54.000 0.000 0.000 0.917 336 D CB -0.361 40.440 40.800 0.001 0.000 0.890 336 D HN 0.314 nan 8.370 nan 0.000 0.532 337 G N -0.519 108.282 108.800 0.003 0.000 2.159 337 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.256 337 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.256 337 G C 1.254 176.164 174.900 0.017 0.000 0.977 337 G CA 0.543 45.649 45.100 0.010 0.000 0.652 337 G HN 0.363 nan 8.290 nan 0.000 0.531 338 S N -0.032 115.675 115.700 0.012 0.000 2.402 338 S HA 0.166 4.636 4.470 -0.000 0.000 0.229 338 S C 2.687 177.301 174.600 0.023 0.000 1.021 338 S CA 1.911 60.120 58.200 0.015 0.000 0.974 338 S CB -0.180 63.025 63.200 0.008 0.000 0.800 338 S HN 1.345 nan 8.310 nan 0.000 0.484 339 A N 1.610 124.441 122.820 0.018 0.000 1.861 339 A HA 0.196 4.516 4.320 -0.000 0.000 0.212 339 A C 1.991 179.611 177.584 0.059 0.000 1.199 339 A CA 0.592 52.645 52.037 0.025 0.000 0.613 339 A CB -0.759 18.236 19.000 -0.008 0.000 0.846 339 A HN 0.418 nan 8.150 nan 0.000 0.446 340 L N 0.220 121.465 121.223 0.036 0.000 2.127 340 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 340 L C 2.092 179.052 176.870 0.149 0.000 1.089 340 L CA 2.398 57.282 54.840 0.073 0.000 0.757 340 L CB -1.367 40.710 42.059 0.030 0.000 0.899 340 L HN 0.395 nan 8.230 nan 0.000 0.434 341 G N -0.502 108.356 108.800 0.096 0.000 2.395 341 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.214 341 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.214 341 G C 1.583 176.540 174.900 0.095 0.000 1.177 341 G CA 0.366 45.516 45.100 0.084 0.000 0.794 341 G HN 0.260 nan 8.290 nan 0.000 0.532 342 R N -0.367 120.188 120.500 0.092 0.000 2.241 342 R HA 0.044 4.384 4.340 -0.000 0.000 0.224 342 R C 1.866 178.249 176.300 0.138 0.000 1.101 342 R CA 0.429 56.577 56.100 0.080 0.000 0.995 342 R CB -0.699 29.636 30.300 0.059 0.000 0.870 342 R HN 0.405 nan 8.270 nan 0.000 0.463 343 F N 0.580 120.539 119.950 0.015 0.000 2.118 343 F HA 0.016 4.543 4.527 -0.000 0.000 0.293 343 F C 2.059 177.888 175.800 0.049 0.000 1.102 343 F CA 1.552 59.572 58.000 0.034 0.000 1.247 343 F CB -0.399 38.617 39.000 0.028 0.000 1.017 343 F HN 0.126 nan 8.300 nan 0.000 0.475 344 E N 0.095 120.325 120.200 0.051 0.000 2.267 344 E HA -0.258 4.092 4.350 -0.000 0.000 0.197 344 E C 2.149 178.703 176.600 -0.077 0.000 0.998 344 E CA 0.819 57.192 56.400 -0.046 0.000 0.830 344 E CB -0.202 29.526 29.700 0.047 0.000 0.751 344 E HN 0.346 nan 8.360 nan 0.000 0.491 345 R N -0.452 120.022 120.500 -0.044 0.000 2.313 345 R HA 0.091 4.431 4.340 -0.000 0.000 0.199 345 R C 1.882 178.136 176.300 -0.077 0.000 0.958 345 R CA 0.421 56.495 56.100 -0.044 0.000 1.047 345 R CB 0.129 30.420 30.300 -0.014 0.000 0.955 345 R HN 0.289 nan 8.270 nan 0.000 0.481 346 M N -0.588 118.935 119.600 -0.128 0.000 2.338 346 M HA 0.125 4.605 4.480 -0.000 0.000 0.276 346 M C 0.599 176.776 176.300 -0.205 0.000 1.057 346 M CA 0.405 55.624 55.300 -0.136 0.000 1.079 346 M CB 0.650 33.206 32.600 -0.072 0.000 1.547 346 M HN 0.095 nan 8.290 nan 0.000 0.549 347 L N 0.110 121.185 121.223 -0.245 0.000 2.084 347 L HA 0.159 4.498 4.340 -0.000 0.000 0.202 347 L C 2.631 179.384 176.870 -0.195 0.000 1.074 347 L CA 1.123 55.855 54.840 -0.180 0.000 0.757 347 L CB -0.758 41.190 42.059 -0.185 0.000 0.918 347 L HN 0.333 nan 8.230 nan 0.000 0.444 348 A N 0.006 122.741 122.820 -0.142 0.000 2.014 348 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 348 A C 2.372 179.873 177.584 -0.139 0.000 1.163 348 A CA 1.284 53.253 52.037 -0.112 0.000 0.652 348 A CB -0.509 18.448 19.000 -0.071 0.000 0.808 348 A HN 0.367 nan 8.150 nan 0.000 0.449 349 A N -1.211 121.515 122.820 -0.157 0.000 2.119 349 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 349 A C 1.703 179.158 177.584 -0.216 0.000 1.153 349 A CA 1.057 53.006 52.037 -0.147 0.000 0.692 349 A CB -0.165 18.766 19.000 -0.114 0.000 0.799 349 A HN 0.578 nan 8.150 nan 0.000 0.458 350 Q N -1.768 117.810 119.800 -0.370 0.000 2.157 350 Q HA 0.338 4.678 4.340 -0.000 0.000 0.229 350 Q C 0.598 176.292 176.000 -0.509 0.000 0.827 350 Q CA 0.318 55.801 55.803 -0.533 0.000 1.055 350 Q CB 0.809 28.969 28.738 -0.964 0.000 1.157 350 Q HN 0.742 nan 8.270 nan 0.000 0.482 351 G N -0.208 108.411 108.800 -0.302 0.000 2.227 351 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.168 351 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.168 351 G C 0.052 174.884 174.900 -0.113 0.000 1.006 351 G CA -0.357 44.631 45.100 -0.186 0.000 0.684 351 G HN 0.162 nan 8.290 nan 0.000 0.489 352 V N 1.016 120.861 119.914 -0.115 0.000 2.863 352 V HA 0.559 4.679 4.120 -0.000 0.000 0.307 352 V C 0.320 176.390 176.094 -0.039 0.000 1.061 352 V CA -0.199 62.074 62.300 -0.045 0.000 1.024 352 V CB 1.827 33.639 31.823 -0.019 0.000 1.049 352 V HN 0.313 nan 8.190 nan 0.000 0.471 353 D N 3.881 124.271 120.400 -0.016 0.000 2.374 353 D HA 0.247 4.887 4.640 -0.000 0.000 0.240 353 D C -1.535 174.759 176.300 -0.011 0.000 1.229 353 D CA -1.799 52.193 54.000 -0.013 0.000 0.895 353 D CB 1.408 42.206 40.800 -0.004 0.000 1.046 353 D HN 0.169 nan 8.370 nan 0.000 0.498 354 P HA -0.252 nan 4.420 nan 0.000 0.226 354 P C 1.260 178.558 177.300 -0.003 0.000 1.154 354 P CA 1.905 64.996 63.100 -0.014 0.000 0.901 354 P CB 0.165 31.856 31.700 -0.015 0.000 0.788 355 G N -0.838 107.962 108.800 0.000 0.000 2.414 355 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.215 355 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.215 355 G C 1.502 176.409 174.900 0.011 0.000 1.188 355 G CA 0.496 45.599 45.100 0.006 0.000 0.783 355 G HN 0.290 nan 8.290 nan 0.000 0.537 356 L N 0.622 121.852 121.223 0.011 0.000 2.042 356 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 356 L C 3.221 180.106 176.870 0.025 0.000 1.076 356 L CA 1.674 56.526 54.840 0.019 0.000 0.749 356 L CB -0.312 41.758 42.059 0.019 0.000 0.893 356 L HN 0.306 nan 8.230 nan 0.000 0.432 357 A N 0.008 122.837 122.820 0.015 0.000 1.877 357 A HA -0.290 4.030 4.320 -0.000 0.000 0.216 357 A C 2.394 179.996 177.584 0.029 0.000 1.186 357 A CA 1.933 53.978 52.037 0.013 0.000 0.620 357 A CB -0.662 18.327 19.000 -0.018 0.000 0.822 357 A HN 0.520 nan 8.150 nan 0.000 0.443 358 R N -0.472 120.042 120.500 0.023 0.000 2.115 358 R HA -0.042 4.298 4.340 -0.000 0.000 0.230 358 R C 2.258 178.581 176.300 0.038 0.000 1.111 358 R CA 1.273 57.391 56.100 0.031 0.000 0.976 358 R CB -0.395 29.917 30.300 0.021 0.000 0.870 358 R HN 0.448 nan 8.270 nan 0.000 0.445 359 A N 1.499 124.339 122.820 0.034 0.000 1.841 359 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 359 A C 2.166 179.778 177.584 0.046 0.000 1.199 359 A CA 1.602 53.660 52.037 0.034 0.000 0.621 359 A CB -0.815 18.202 19.000 0.029 0.000 0.835 359 A HN 0.335 nan 8.150 nan 0.000 0.445 360 L N -0.600 120.658 121.223 0.059 0.000 1.997 360 L HA -0.312 4.027 4.340 -0.000 0.000 0.216 360 L C 2.602 179.528 176.870 0.093 0.000 1.074 360 L CA 1.749 56.637 54.840 0.081 0.000 0.763 360 L CB -1.071 41.054 42.059 0.111 0.000 0.890 360 L HN 0.486 nan 8.230 nan 0.000 0.434 361 C N -0.997 118.370 119.300 0.112 0.000 2.491 361 C HA -0.018 4.442 4.460 -0.000 0.000 0.277 361 C C 2.621 177.653 174.990 0.070 0.000 1.455 361 C CA 0.796 59.885 59.018 0.118 0.000 1.758 361 C CB -1.021 26.810 27.740 0.153 0.000 1.745 361 C HN 0.513 nan 8.230 nan 0.000 0.558 362 S N -0.524 115.207 115.700 0.053 0.000 2.731 362 S HA 0.229 4.698 4.470 -0.000 0.000 0.244 362 S C 1.335 175.951 174.600 0.027 0.000 1.084 362 S CA 0.376 58.598 58.200 0.036 0.000 0.877 362 S CB -0.248 62.971 63.200 0.032 0.000 0.798 362 S HN 0.606 nan 8.310 nan 0.000 0.496 363 G N 2.473 111.290 108.800 0.028 0.000 2.712 363 G HA2 0.358 4.318 3.960 -0.000 0.000 0.258 363 G HA3 0.358 4.318 3.960 -0.000 0.000 0.258 363 G C 0.098 175.009 174.900 0.018 0.000 1.241 363 G CA -0.084 45.029 45.100 0.022 0.000 0.923 363 G HN 0.480 nan 8.290 nan 0.000 0.548 364 S N -0.096 115.612 115.700 0.014 0.000 2.603 364 S HA 0.286 4.756 4.470 -0.000 0.000 0.268 364 S C -1.789 172.818 174.600 0.012 0.000 1.317 364 S CA -0.999 57.207 58.200 0.011 0.000 1.012 364 S CB 1.817 65.022 63.200 0.008 0.000 0.926 364 S HN 0.244 nan 8.310 nan 0.000 0.539 365 P HA -0.075 nan 4.420 nan 0.000 0.222 365 P C 1.259 178.568 177.300 0.014 0.000 1.142 365 P CA 1.485 64.591 63.100 0.010 0.000 0.788 365 P CB -0.182 31.520 31.700 0.003 0.000 0.767 366 A N -0.250 122.577 122.820 0.012 0.000 1.897 366 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 366 A C 2.111 179.704 177.584 0.014 0.000 1.181 366 A CA 1.298 53.342 52.037 0.012 0.000 0.620 366 A CB -0.717 18.288 19.000 0.008 0.000 0.821 366 A HN 0.075 nan 8.150 nan 0.000 0.443 367 E N 0.502 120.711 120.200 0.015 0.000 2.015 367 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 367 E C 2.102 178.716 176.600 0.023 0.000 0.991 367 E CA 1.267 57.677 56.400 0.018 0.000 0.802 367 E CB -0.579 29.133 29.700 0.019 0.000 0.759 367 E HN 0.640 nan 8.360 nan 0.000 0.447 368 R N 0.700 121.215 120.500 0.026 0.000 2.139 368 R HA -0.139 4.201 4.340 -0.000 0.000 0.243 368 R C 2.395 178.714 176.300 0.032 0.000 1.145 368 R CA 1.462 57.582 56.100 0.033 0.000 0.976 368 R CB -0.309 30.010 30.300 0.032 0.000 0.866 368 R HN -0.037 nan 8.270 nan 0.000 0.449 369 R N 0.987 121.504 120.500 0.028 0.000 2.148 369 R HA -0.111 4.229 4.340 -0.000 0.000 0.223 369 R C 2.022 178.339 176.300 0.028 0.000 1.088 369 R CA 1.412 57.531 56.100 0.031 0.000 0.985 369 R CB -0.040 30.278 30.300 0.030 0.000 0.880 369 R HN 0.140 nan 8.270 nan 0.000 0.451 370 Q N -0.700 119.114 119.800 0.023 0.000 2.302 370 Q HA 0.113 4.452 4.340 -0.000 0.000 0.202 370 Q C 0.282 176.295 176.000 0.022 0.000 0.936 370 Q CA 0.960 56.774 55.803 0.019 0.000 0.886 370 Q CB 0.289 29.036 28.738 0.014 0.000 0.986 370 Q HN 0.327 nan 8.270 nan 0.000 0.487 371 L N 0.673 121.912 121.223 0.027 0.000 2.851 371 L HA 0.410 4.750 4.340 -0.000 0.000 0.237 371 L C -0.744 176.148 176.870 0.037 0.000 1.257 371 L CA 0.306 55.165 54.840 0.031 0.000 1.061 371 L CB 0.139 42.219 42.059 0.034 0.000 1.372 371 L HN 0.119 nan 8.230 nan 0.000 0.493 372 L N -1.311 119.933 121.223 0.036 0.000 2.540 372 L HA 0.475 4.815 4.340 -0.000 0.000 0.256 372 L C -2.440 174.454 176.870 0.039 0.000 1.001 372 L CA -1.934 52.930 54.840 0.040 0.000 0.843 372 L CB 2.248 44.333 42.059 0.044 0.000 1.436 372 L HN -0.222 nan 8.230 nan 0.000 0.410 373 P HA 0.069 nan 4.420 nan 0.000 0.260 373 P C -1.215 176.117 177.300 0.052 0.000 1.185 373 P CA 0.383 63.508 63.100 0.041 0.000 0.763 373 P CB 0.254 31.980 31.700 0.044 0.000 0.776 374 R N 2.566 123.092 120.500 0.043 0.000 2.589 374 R HA 0.737 5.077 4.340 -0.000 0.000 0.293 374 R C -0.063 176.259 176.300 0.038 0.000 0.963 374 R CA -1.047 55.081 56.100 0.047 0.000 0.905 374 R CB 1.824 32.136 30.300 0.019 0.000 1.144 374 R HN 0.389 nan 8.270 nan 0.000 0.459 375 A N 2.080 124.930 122.820 0.049 0.000 2.313 375 A HA 0.234 4.554 4.320 -0.000 0.000 0.261 375 A C 0.958 178.529 177.584 -0.022 0.000 1.090 375 A CA -0.276 51.779 52.037 0.030 0.000 0.807 375 A CB 0.519 19.563 19.000 0.073 0.000 1.055 375 A HN 0.826 nan 8.150 nan 0.000 0.492 376 R N 0.098 120.588 120.500 -0.016 0.000 2.127 376 R HA -0.045 4.295 4.340 -0.000 0.000 0.219 376 R C -0.076 176.192 176.300 -0.053 0.000 1.133 376 R CA 1.425 57.508 56.100 -0.028 0.000 0.890 376 R CB -0.281 30.009 30.300 -0.016 0.000 0.804 376 R HN 0.869 nan 8.270 nan 0.000 0.443 377 E N 0.967 121.137 120.200 -0.050 0.000 2.202 377 E HA 0.158 4.508 4.350 -0.000 0.000 0.272 377 E C -0.817 175.728 176.600 -0.092 0.000 0.951 377 E CA -0.453 55.908 56.400 -0.066 0.000 0.813 377 E CB 1.750 31.426 29.700 -0.041 0.000 1.151 377 E HN 0.240 nan 8.360 nan 0.000 0.398 378 Q N 1.237 120.961 119.800 -0.127 0.000 2.347 378 Q HA 0.447 4.787 4.340 -0.000 0.000 0.271 378 Q C -1.153 174.795 176.000 -0.085 0.000 1.064 378 Q CA -0.919 54.795 55.803 -0.148 0.000 0.800 378 Q CB 2.211 30.709 28.738 -0.401 0.000 1.304 378 Q HN 0.593 nan 8.270 nan 0.000 0.438 379 E N 1.459 121.632 120.200 -0.044 0.000 2.359 379 E HA 0.592 4.942 4.350 -0.000 0.000 0.266 379 E C -1.139 175.423 176.600 -0.063 0.000 0.920 379 E CA -1.080 55.293 56.400 -0.044 0.000 0.788 379 E CB 2.203 31.884 29.700 -0.032 0.000 1.279 379 E HN 0.610 nan 8.360 nan 0.000 0.438 380 E N 1.063 121.217 120.200 -0.075 0.000 2.222 380 E HA 0.304 4.653 4.350 -0.000 0.000 0.267 380 E C -0.770 175.762 176.600 -0.113 0.000 0.884 380 E CA -0.729 55.591 56.400 -0.133 0.000 0.764 380 E CB 2.017 31.651 29.700 -0.110 0.000 1.169 380 E HN 0.367 nan 8.360 nan 0.000 0.413 381 L N 3.954 125.052 121.223 -0.208 0.000 2.422 381 L HA 0.267 4.607 4.340 -0.000 0.000 0.256 381 L C 0.175 177.156 176.870 0.184 0.000 1.202 381 L CA -0.461 54.375 54.840 -0.006 0.000 1.119 381 L CB -0.669 41.443 42.059 0.088 0.000 1.383 381 L HN 0.408 nan 8.230 nan 0.000 0.411 382 L N 1.704 123.012 121.223 0.142 0.000 2.621 382 L HA -0.151 4.189 4.340 -0.000 0.000 0.313 382 L C 1.229 178.319 176.870 0.366 0.000 1.277 382 L CA 0.142 55.109 54.840 0.211 0.000 0.857 382 L CB 0.043 42.172 42.059 0.117 0.000 1.093 382 L HN 0.627 nan 8.230 nan 0.000 0.527 383 A N 5.177 128.192 122.820 0.325 0.000 2.477 383 A HA 0.302 4.622 4.320 -0.000 0.000 0.246 383 A C -1.249 176.372 177.584 0.062 0.000 1.078 383 A CA -1.035 51.099 52.037 0.162 0.000 0.770 383 A CB 0.150 19.205 19.000 0.091 0.000 1.011 383 A HN 0.659 nan 8.150 nan 0.000 0.494 384 P HA 0.003 nan 4.420 nan 0.000 0.203 384 P C 0.416 177.706 177.300 -0.017 0.000 1.202 384 P CA 1.646 64.739 63.100 -0.011 0.000 0.917 384 P CB 0.201 31.870 31.700 -0.051 0.000 0.750 385 A N 0.516 123.311 122.820 -0.043 0.000 2.293 385 A HA 0.352 4.672 4.320 -0.000 0.000 0.312 385 A C -0.531 177.030 177.584 -0.039 0.000 1.309 385 A CA -0.444 51.573 52.037 -0.032 0.000 0.839 385 A CB -0.498 18.483 19.000 -0.033 0.000 1.155 385 A HN 0.248 nan 8.150 nan 0.000 0.501 386 D N 2.200 122.586 120.400 -0.022 0.000 2.908 386 D HA 0.292 4.932 4.640 -0.000 0.000 0.215 386 D C 0.536 176.818 176.300 -0.030 0.000 1.095 386 D CA 2.247 56.236 54.000 -0.019 0.000 0.812 386 D CB 0.242 41.038 40.800 -0.006 0.000 1.180 386 D HN 0.978 nan 8.370 nan 0.000 0.512 387 G N 1.372 110.151 108.800 -0.034 0.000 2.349 387 G HA2 0.452 4.412 3.960 -0.000 0.000 0.294 387 G HA3 0.452 4.412 3.960 -0.000 0.000 0.294 387 G C -1.085 173.793 174.900 -0.036 0.000 1.380 387 G CA -0.381 44.696 45.100 -0.038 0.000 0.811 387 G HN 0.568 nan 8.290 nan 0.000 0.519 388 T N 0.594 115.127 114.554 -0.034 0.000 2.851 388 T HA 0.403 4.753 4.350 -0.000 0.000 0.298 388 T C 0.526 175.203 174.700 -0.039 0.000 0.977 388 T CA -0.287 61.796 62.100 -0.028 0.000 1.126 388 T CB 1.593 70.448 68.868 -0.021 0.000 0.916 388 T HN 0.600 nan 8.240 nan 0.000 0.529 389 V N 4.598 124.494 119.914 -0.030 0.000 2.364 389 V HA 0.052 4.172 4.120 -0.000 0.000 0.252 389 V C 1.464 177.542 176.094 -0.027 0.000 1.075 389 V CA 0.071 62.349 62.300 -0.036 0.000 1.033 389 V CB -0.128 31.690 31.823 -0.008 0.000 1.116 389 V HN 0.867 nan 8.190 nan 0.000 0.488 390 E N 3.151 123.328 120.200 -0.040 0.000 2.051 390 E HA 0.163 4.513 4.350 -0.000 0.000 0.189 390 E C 0.305 176.894 176.600 -0.019 0.000 0.979 390 E CA 0.754 57.138 56.400 -0.027 0.000 0.803 390 E CB 0.607 30.287 29.700 -0.033 0.000 0.761 390 E HN 0.638 nan 8.360 nan 0.000 0.451 391 L N -1.483 119.723 121.223 -0.029 0.000 2.947 391 L HA 0.242 4.582 4.340 -0.000 0.000 0.267 391 L C -1.892 174.965 176.870 -0.022 0.000 1.004 391 L CA -0.581 54.251 54.840 -0.013 0.000 0.937 391 L CB 1.724 43.779 42.059 -0.006 0.000 1.496 391 L HN -0.315 nan 8.230 nan 0.000 0.409 392 V N 2.213 122.133 119.914 0.011 0.000 2.495 392 V HA 0.534 4.654 4.120 -0.000 0.000 0.298 392 V C -0.152 175.965 176.094 0.038 0.000 1.031 392 V CA -0.612 61.709 62.300 0.034 0.000 0.871 392 V CB 1.384 33.279 31.823 0.120 0.000 0.988 392 V HN 0.674 nan 8.190 nan 0.000 0.432 393 R N 3.689 124.208 120.500 0.031 0.000 2.488 393 R HA 0.306 4.646 4.340 -0.000 0.000 0.306 393 R C 1.090 177.422 176.300 0.054 0.000 1.271 393 R CA 0.522 56.641 56.100 0.032 0.000 1.022 393 R CB -0.086 30.226 30.300 0.020 0.000 1.054 393 R HN 0.880 nan 8.270 nan 0.000 0.500 394 A N 4.705 127.553 122.820 0.046 0.000 1.930 394 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 394 A C 1.702 179.314 177.584 0.046 0.000 1.175 394 A CA 0.991 53.057 52.037 0.047 0.000 0.627 394 A CB -0.430 18.591 19.000 0.034 0.000 0.815 394 A HN 0.671 nan 8.150 nan 0.000 0.443 395 L N 0.524 121.767 121.223 0.033 0.000 2.013 395 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 395 L C -0.792 176.074 176.870 -0.006 0.000 1.073 395 L CA 2.595 57.440 54.840 0.007 0.000 0.753 395 L CB -1.293 40.751 42.059 -0.026 0.000 0.890 395 L HN 0.173 nan 8.230 nan 0.000 0.432 396 P HA -0.138 nan 4.420 nan 0.000 0.219 396 P C 2.217 179.542 177.300 0.042 0.000 1.150 396 P CA 0.992 64.103 63.100 0.018 0.000 0.814 396 P CB -0.083 31.636 31.700 0.033 0.000 0.787 397 L N -0.996 120.260 121.223 0.056 0.000 2.191 397 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 397 L C 1.947 178.845 176.870 0.048 0.000 1.103 397 L CA 1.777 56.650 54.840 0.056 0.000 0.769 397 L CB -0.653 41.440 42.059 0.057 0.000 0.908 397 L HN -0.011 nan 8.230 nan 0.000 0.438 398 A N -0.389 122.465 122.820 0.058 0.000 1.878 398 A HA -0.069 4.251 4.320 -0.000 0.000 0.213 398 A C 2.090 179.729 177.584 0.091 0.000 1.192 398 A CA 0.564 52.654 52.037 0.089 0.000 0.619 398 A CB -0.428 18.665 19.000 0.155 0.000 0.837 398 A HN 0.391 nan 8.150 nan 0.000 0.446 399 L N -0.331 120.910 121.223 0.030 0.000 2.131 399 L HA -0.137 4.202 4.340 -0.000 0.000 0.210 399 L C 2.438 179.358 176.870 0.084 0.000 1.092 399 L CA 0.812 55.656 54.840 0.006 0.000 0.759 399 L CB -0.480 41.547 42.059 -0.054 0.000 0.903 399 L HN 0.245 nan 8.230 nan 0.000 0.435 400 V N -0.479 119.479 119.914 0.074 0.000 2.256 400 V HA -0.225 3.895 4.120 -0.000 0.000 0.240 400 V C 2.355 178.506 176.094 0.095 0.000 1.036 400 V CA 1.004 63.349 62.300 0.076 0.000 1.008 400 V CB -0.379 31.478 31.823 0.056 0.000 0.648 400 V HN 0.250 nan 8.190 nan 0.000 0.453 401 L N 0.085 121.356 121.223 0.080 0.000 2.211 401 L HA -0.276 4.064 4.340 -0.000 0.000 0.216 401 L C 2.361 179.299 176.870 0.112 0.000 1.092 401 L CA 2.290 57.173 54.840 0.072 0.000 0.767 401 L CB -1.733 40.350 42.059 0.040 0.000 0.894 401 L HN 0.571 nan 8.230 nan 0.000 0.437 402 H N 1.440 120.537 119.070 0.045 0.000 2.253 402 H HA -0.204 4.352 4.556 -0.000 0.000 0.296 402 H C 1.840 177.196 175.328 0.046 0.000 1.074 402 H CA 2.053 58.135 56.048 0.056 0.000 1.263 402 H CB 0.022 29.818 29.762 0.056 0.000 1.363 402 H HN 0.500 nan 8.280 nan 0.000 0.489 403 E N 0.561 120.826 120.200 0.108 0.000 2.357 403 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 403 E C 0.867 177.475 176.600 0.013 0.000 1.177 403 E CA 0.211 56.629 56.400 0.030 0.000 0.998 403 E CB -0.224 29.520 29.700 0.074 0.000 1.106 403 E HN 0.562 nan 8.360 nan 0.000 0.470 404 L N -0.714 120.515 121.223 0.010 0.000 2.672 404 L HA 0.319 4.659 4.340 -0.000 0.000 0.236 404 L C 1.219 178.094 176.870 0.009 0.000 1.092 404 L CA 0.446 55.297 54.840 0.017 0.000 0.887 404 L CB 0.714 42.793 42.059 0.034 0.000 1.168 404 L HN 0.466 nan 8.230 nan 0.000 0.502 405 G N -0.067 108.726 108.800 -0.012 0.000 2.155 405 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.130 405 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.130 405 G C 0.362 175.273 174.900 0.019 0.000 1.027 405 G CA -0.019 45.073 45.100 -0.013 0.000 0.705 405 G HN 0.261 nan 8.290 nan 0.000 0.496 406 A N -0.438 122.418 122.820 0.060 0.000 2.589 406 A HA 0.803 5.123 4.320 -0.000 0.000 0.283 406 A C 1.227 178.918 177.584 0.177 0.000 1.187 406 A CA 1.205 53.398 52.037 0.261 0.000 0.957 406 A CB 0.135 19.300 19.000 0.276 0.000 1.175 406 A HN 1.525 nan 8.150 nan 0.000 0.532 407 G N -0.330 108.428 108.800 -0.071 0.000 3.341 407 G HA2 0.601 4.561 3.960 -0.000 0.000 0.177 407 G HA3 0.601 4.561 3.960 -0.000 0.000 0.177 407 G C -0.623 174.165 174.900 -0.187 0.000 1.236 407 G CA -0.742 44.222 45.100 -0.227 0.000 0.888 407 G HN 0.385 nan 8.290 nan 0.000 0.644 408 R N -1.622 118.712 120.500 -0.277 0.000 3.170 408 R HA 0.361 4.701 4.340 -0.000 0.000 0.257 408 R C -0.379 175.904 176.300 -0.028 0.000 1.139 408 R CA 0.015 56.064 56.100 -0.086 0.000 1.158 408 R CB 0.909 31.215 30.300 0.010 0.000 1.269 408 R HN 0.393 nan 8.270 nan 0.000 0.459 409 S N 2.852 118.535 115.700 -0.028 0.000 2.526 409 S HA 0.367 4.836 4.470 -0.000 0.000 0.220 409 S C 0.008 174.622 174.600 0.025 0.000 1.017 409 S CA -0.194 58.019 58.200 0.021 0.000 0.930 409 S CB 0.314 63.516 63.200 0.003 0.000 0.856 409 S HN 0.476 nan 8.310 nan 0.000 0.497 410 R N -0.053 120.455 120.500 0.013 0.000 2.604 410 R HA 0.587 4.927 4.340 -0.000 0.000 0.281 410 R C 0.769 177.080 176.300 0.019 0.000 1.020 410 R CA -0.129 55.981 56.100 0.017 0.000 0.899 410 R CB 1.152 31.458 30.300 0.010 0.000 1.205 410 R HN 0.078 nan 8.270 nan 0.000 0.450 411 A N 1.904 124.740 122.820 0.026 0.000 1.944 411 A HA -0.240 4.080 4.320 -0.000 0.000 0.222 411 A C 1.519 179.121 177.584 0.030 0.000 1.237 411 A CA 2.550 54.607 52.037 0.033 0.000 0.668 411 A CB -0.659 18.361 19.000 0.034 0.000 0.830 411 A HN 0.857 nan 8.150 nan 0.000 0.471 412 G N -0.692 108.119 108.800 0.018 0.000 3.377 412 G HA2 0.388 4.347 3.960 -0.000 0.000 0.257 412 G HA3 0.388 4.347 3.960 -0.000 0.000 0.257 412 G C 0.198 175.098 174.900 0.000 0.000 1.038 412 G CA 0.446 45.553 45.100 0.012 0.000 0.809 412 G HN 0.834 nan 8.290 nan 0.000 0.526 413 E N 1.118 121.315 120.200 -0.004 0.000 2.422 413 E HA 0.319 4.668 4.350 -0.000 0.000 0.260 413 E C -2.227 174.357 176.600 -0.027 0.000 1.108 413 E CA -1.263 55.128 56.400 -0.015 0.000 0.943 413 E CB 0.597 30.286 29.700 -0.019 0.000 0.961 413 E HN 0.001 nan 8.360 nan 0.000 0.443 414 P HA 0.201 nan 4.420 nan 0.000 0.306 414 P C -1.267 175.991 177.300 -0.069 0.000 1.301 414 P CA -0.370 62.703 63.100 -0.045 0.000 0.744 414 P CB 0.312 31.992 31.700 -0.034 0.000 1.400 415 L N -3.485 117.687 121.223 -0.085 0.000 2.735 415 L HA 0.420 4.760 4.340 -0.000 0.000 0.258 415 L C -0.802 176.014 176.870 -0.090 0.000 0.920 415 L CA -0.757 54.017 54.840 -0.109 0.000 0.958 415 L CB 0.831 42.768 42.059 -0.203 0.000 1.499 415 L HN 0.040 nan 8.230 nan 0.000 0.441 416 R N 2.044 122.522 120.500 -0.036 0.000 2.345 416 R HA 0.388 4.728 4.340 -0.000 0.000 0.331 416 R C 0.917 177.246 176.300 0.049 0.000 1.067 416 R CA -0.004 56.100 56.100 0.005 0.000 0.962 416 R CB 0.093 30.409 30.300 0.026 0.000 0.987 416 R HN 0.676 nan 8.270 nan 0.000 0.451 417 L N 1.365 122.608 121.223 0.032 0.000 2.376 417 L HA -0.017 4.322 4.340 -0.000 0.000 0.219 417 L C 2.079 179.041 176.870 0.153 0.000 1.133 417 L CA 1.155 56.062 54.840 0.111 0.000 0.816 417 L CB -0.191 41.896 42.059 0.047 0.000 0.933 417 L HN 0.839 nan 8.230 nan 0.000 0.449 418 G N -0.272 108.591 108.800 0.104 0.000 2.464 418 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.217 418 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.217 418 G C 0.829 175.805 174.900 0.126 0.000 1.138 418 G CA -0.121 45.043 45.100 0.107 0.000 0.793 418 G HN 0.067 nan 8.290 nan 0.000 0.539 419 V N 0.659 120.642 119.914 0.115 0.000 3.178 419 V HA 0.509 4.628 4.120 -0.000 0.000 0.306 419 V C 0.946 177.060 176.094 0.033 0.000 1.107 419 V CA 0.995 63.353 62.300 0.097 0.000 1.195 419 V CB 0.653 32.529 31.823 0.089 0.000 0.993 419 V HN 0.735 nan 8.190 nan 0.000 0.493 420 G N 1.532 110.311 108.800 -0.034 0.000 2.350 420 G HA2 0.591 4.551 3.960 -0.000 0.000 0.304 420 G HA3 0.591 4.551 3.960 -0.000 0.000 0.304 420 G C -1.151 173.607 174.900 -0.236 0.000 1.421 420 G CA -0.236 44.769 45.100 -0.158 0.000 0.934 420 G HN 1.159 nan 8.290 nan 0.000 0.632 421 A N -0.345 122.338 122.820 -0.229 0.000 2.325 421 A HA 0.901 5.221 4.320 -0.000 0.000 0.333 421 A C -0.170 177.260 177.584 -0.258 0.000 1.155 421 A CA -0.355 51.550 52.037 -0.219 0.000 0.814 421 A CB 1.708 20.627 19.000 -0.135 0.000 1.206 421 A HN 0.829 nan 8.150 nan 0.000 0.482 422 E N 2.018 122.075 120.200 -0.239 0.000 2.316 422 E HA 0.359 4.709 4.350 -0.000 0.000 0.254 422 E C -1.313 175.201 176.600 -0.144 0.000 0.902 422 E CA -0.569 55.719 56.400 -0.186 0.000 0.801 422 E CB 0.829 30.422 29.700 -0.180 0.000 1.270 422 E HN 0.565 nan 8.360 nan 0.000 0.414 423 L N 5.643 126.811 121.223 -0.091 0.000 2.410 423 L HA 0.153 4.493 4.340 -0.000 0.000 0.273 423 L C 0.829 177.687 176.870 -0.021 0.000 1.144 423 L CA 0.447 55.263 54.840 -0.040 0.000 0.863 423 L CB 0.671 42.743 42.059 0.022 0.000 1.140 423 L HN 0.805 nan 8.230 nan 0.000 0.463 424 L N 4.657 125.878 121.223 -0.004 0.000 2.700 424 L HA 0.183 4.523 4.340 -0.000 0.000 0.234 424 L C 0.332 177.242 176.870 0.067 0.000 1.156 424 L CA -0.056 54.794 54.840 0.017 0.000 0.946 424 L CB 0.030 42.083 42.059 -0.009 0.000 1.216 424 L HN 0.625 nan 8.230 nan 0.000 0.493 425 V N -4.359 115.609 119.914 0.091 0.000 3.164 425 V HA 0.710 4.830 4.120 -0.000 0.000 0.312 425 V C -2.117 174.025 176.094 0.079 0.000 1.612 425 V CA -0.833 61.521 62.300 0.089 0.000 0.978 425 V CB 1.903 33.800 31.823 0.122 0.000 1.015 425 V HN 0.102 nan 8.190 nan 0.000 0.484 426 D N -1.885 118.556 120.400 0.068 0.000 2.807 426 D HA 0.338 4.978 4.640 -0.000 0.000 0.279 426 D C -0.834 175.486 176.300 0.034 0.000 1.247 426 D CA -0.334 53.697 54.000 0.052 0.000 0.749 426 D CB 1.219 42.039 40.800 0.034 0.000 1.264 426 D HN 0.905 nan 8.370 nan 0.000 0.421 427 V N 0.776 120.706 119.914 0.025 0.000 2.644 427 V HA 0.404 4.524 4.120 -0.000 0.000 0.305 427 V C 1.885 177.986 176.094 0.010 0.000 1.053 427 V CA 1.725 64.034 62.300 0.014 0.000 1.186 427 V CB -0.255 31.575 31.823 0.011 0.000 0.895 427 V HN 1.257 nan 8.190 nan 0.000 0.490 428 G N 3.260 112.063 108.800 0.006 0.000 3.642 428 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.205 428 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.205 428 G C 0.330 175.233 174.900 0.004 0.000 1.526 428 G CA 0.241 45.344 45.100 0.004 0.000 1.097 428 G HN 1.068 nan 8.290 nan 0.000 0.596 429 Q N 1.469 121.274 119.800 0.009 0.000 2.651 429 Q HA 0.552 4.892 4.340 -0.000 0.000 0.224 429 Q C 0.329 176.334 176.000 0.008 0.000 1.094 429 Q CA 0.506 56.315 55.803 0.010 0.000 1.018 429 Q CB 0.315 29.063 28.738 0.017 0.000 1.292 429 Q HN 0.975 nan 8.270 nan 0.000 0.588 430 R N 0.329 120.834 120.500 0.008 0.000 2.771 430 R HA 0.716 5.056 4.340 -0.000 0.000 0.274 430 R C -1.025 175.281 176.300 0.011 0.000 0.987 430 R CA -0.978 55.124 56.100 0.003 0.000 0.908 430 R CB 1.127 31.425 30.300 -0.004 0.000 1.213 430 R HN 0.783 nan 8.270 nan 0.000 0.468 431 L N -1.381 119.848 121.223 0.010 0.000 2.257 431 L HA 0.757 5.097 4.340 -0.000 0.000 0.257 431 L C -0.873 176.004 176.870 0.012 0.000 1.033 431 L CA -1.660 53.193 54.840 0.022 0.000 0.835 431 L CB 2.122 44.211 42.059 0.048 0.000 1.398 431 L HN 0.606 nan 8.230 nan 0.000 0.429 432 R N -0.073 120.439 120.500 0.020 0.000 2.758 432 R HA 0.462 4.801 4.340 -0.000 0.000 0.265 432 R C -0.543 175.769 176.300 0.020 0.000 1.016 432 R CA -0.907 55.202 56.100 0.014 0.000 1.040 432 R CB 0.965 31.275 30.300 0.015 0.000 1.152 432 R HN 0.577 nan 8.270 nan 0.000 0.503 433 R N 1.063 121.570 120.500 0.012 0.000 2.483 433 R HA 0.016 4.356 4.340 -0.000 0.000 0.329 433 R C 0.055 176.374 176.300 0.032 0.000 0.961 433 R CA 1.505 57.615 56.100 0.017 0.000 1.041 433 R CB -0.562 29.743 30.300 0.009 0.000 0.930 433 R HN 0.946 nan 8.270 nan 0.000 0.413 434 G N 2.665 111.497 108.800 0.052 0.000 2.380 434 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.197 434 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.197 434 G C -0.046 174.900 174.900 0.076 0.000 1.001 434 G CA -0.051 45.084 45.100 0.059 0.000 0.668 434 G HN 0.605 nan 8.290 nan 0.000 0.483 435 T N 4.197 118.801 114.554 0.082 0.000 2.793 435 T HA 0.427 4.777 4.350 -0.000 0.000 0.289 435 T C -2.399 172.391 174.700 0.151 0.000 0.956 435 T CA -0.016 62.141 62.100 0.094 0.000 1.177 435 T CB 1.262 70.181 68.868 0.086 0.000 0.897 435 T HN 0.093 nan 8.240 nan 0.000 0.533 436 P HA 0.023 nan 4.420 nan 0.000 0.264 436 P C 0.758 178.124 177.300 0.110 0.000 1.236 436 P CA -0.272 62.876 63.100 0.080 0.000 0.811 436 P CB 0.084 31.792 31.700 0.015 0.000 0.840 437 W N 4.681 125.985 121.300 0.007 0.000 2.576 437 W HA 0.230 4.890 4.660 -0.000 0.000 0.275 437 W C -0.731 175.790 176.519 0.005 0.000 1.241 437 W CA 0.265 57.613 57.345 0.004 0.000 1.328 437 W CB -0.608 28.853 29.460 0.002 0.000 1.092 437 W HN 0.135 nan 8.180 nan 0.000 0.586 438 L N 1.005 121.642 121.223 -0.976 0.000 2.283 438 L HA 0.634 4.974 4.340 -0.000 0.000 0.259 438 L C -0.629 175.929 176.870 -0.520 0.000 1.027 438 L CA -1.330 52.942 54.840 -0.947 0.000 0.828 438 L CB 2.128 43.091 42.059 -1.827 0.000 1.380 438 L HN -0.051 nan 8.230 nan 0.000 0.425 439 R N 1.977 122.275 120.500 -0.337 0.000 2.569 439 R HA 0.621 4.961 4.340 -0.000 0.000 0.293 439 R C -2.042 174.226 176.300 -0.053 0.000 1.186 439 R CA -0.488 55.529 56.100 -0.139 0.000 0.956 439 R CB 1.302 31.587 30.300 -0.026 0.000 1.196 439 R HN 0.492 nan 8.270 nan 0.000 0.444 440 V N 3.902 123.801 119.914 -0.025 0.000 2.567 440 V HA 0.275 4.395 4.120 -0.000 0.000 0.289 440 V C 0.168 176.398 176.094 0.227 0.000 1.049 440 V CA -0.326 61.993 62.300 0.032 0.000 0.969 440 V CB 1.468 33.278 31.823 -0.023 0.000 0.995 440 V HN 0.764 nan 8.190 nan 0.000 0.471 441 H N 4.492 123.528 119.070 -0.055 0.000 2.632 441 H HA 0.382 4.938 4.556 -0.000 0.000 0.258 441 H C -0.167 175.148 175.328 -0.021 0.000 1.278 441 H CA -0.768 55.258 56.048 -0.036 0.000 1.352 441 H CB 0.710 30.453 29.762 -0.031 0.000 1.418 441 H HN 0.602 nan 8.280 nan 0.000 0.513 442 R N 0.705 121.247 120.500 0.069 0.000 2.560 442 R HA 0.106 4.446 4.340 -0.000 0.000 0.270 442 R C -0.043 176.271 176.300 0.024 0.000 1.074 442 R CA -0.457 55.666 56.100 0.038 0.000 1.140 442 R CB 1.036 31.347 30.300 0.018 0.000 1.073 442 R HN 0.391 nan 8.270 nan 0.000 0.527 443 D N -0.647 119.766 120.400 0.021 0.000 2.500 443 D HA 0.184 4.823 4.640 -0.000 0.000 0.217 443 D C 0.498 176.802 176.300 0.006 0.000 1.159 443 D CA 0.222 54.230 54.000 0.013 0.000 0.828 443 D CB 0.917 41.728 40.800 0.019 0.000 1.039 443 D HN 0.653 nan 8.370 nan 0.000 0.512 444 G N 0.427 109.231 108.800 0.006 0.000 3.341 444 G HA2 0.412 4.371 3.960 -0.000 0.000 0.177 444 G HA3 0.412 4.371 3.960 -0.000 0.000 0.177 444 G C -2.038 172.863 174.900 0.002 0.000 1.236 444 G CA -0.414 44.688 45.100 0.004 0.000 0.888 444 G HN -0.017 nan 8.290 nan 0.000 0.644 445 P HA 0.447 nan 4.420 nan 0.000 0.337 445 P C -0.584 176.718 177.300 0.003 0.000 1.340 445 P CA 0.064 63.165 63.100 0.002 0.000 0.764 445 P CB 0.514 32.216 31.700 0.004 0.000 1.718 446 A N -0.308 122.514 122.820 0.004 0.000 2.310 446 A HA 0.449 4.769 4.320 -0.000 0.000 0.299 446 A C 0.621 178.211 177.584 0.009 0.000 1.147 446 A CA -0.752 51.287 52.037 0.004 0.000 0.818 446 A CB -0.515 18.487 19.000 0.004 0.000 1.096 446 A HN 0.430 nan 8.150 nan 0.000 0.495 447 L N 2.188 123.418 121.223 0.011 0.000 2.573 447 L HA 0.052 4.392 4.340 -0.000 0.000 0.290 447 L C 1.163 178.045 176.870 0.019 0.000 1.247 447 L CA 0.078 54.928 54.840 0.017 0.000 0.876 447 L CB -0.121 41.950 42.059 0.019 0.000 1.123 447 L HN 0.897 nan 8.230 nan 0.000 0.505 448 S N 1.433 117.146 115.700 0.022 0.000 2.632 448 S HA 0.354 4.824 4.470 -0.000 0.000 0.271 448 S C 1.250 175.864 174.600 0.025 0.000 1.260 448 S CA -0.373 57.840 58.200 0.021 0.000 1.010 448 S CB 1.627 64.838 63.200 0.019 0.000 0.965 448 S HN 0.785 nan 8.310 nan 0.000 0.534 449 G N 1.986 110.800 108.800 0.022 0.000 2.681 449 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 449 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 449 G C -0.995 173.921 174.900 0.026 0.000 1.210 449 G CA 1.354 46.468 45.100 0.024 0.000 0.783 449 G HN 0.686 nan 8.290 nan 0.000 0.609 450 P HA -0.113 nan 4.420 nan 0.000 0.216 450 P C 1.996 179.314 177.300 0.030 0.000 1.150 450 P CA 1.553 64.667 63.100 0.024 0.000 0.843 450 P CB -0.062 31.650 31.700 0.020 0.000 0.787 451 Q N -0.834 118.986 119.800 0.034 0.000 1.890 451 Q HA -0.100 4.240 4.340 -0.000 0.000 0.208 451 Q C 2.328 178.361 176.000 0.054 0.000 0.982 451 Q CA 1.645 57.473 55.803 0.042 0.000 0.856 451 Q CB -1.015 27.747 28.738 0.039 0.000 0.915 451 Q HN 0.112 nan 8.270 nan 0.000 0.427 452 S N 0.876 116.608 115.700 0.053 0.000 2.426 452 S HA -0.291 4.179 4.470 -0.000 0.000 0.253 452 S C 1.836 176.486 174.600 0.083 0.000 1.104 452 S CA 1.743 59.985 58.200 0.069 0.000 1.158 452 S CB -0.394 62.839 63.200 0.055 0.000 1.043 452 S HN 0.279 nan 8.310 nan 0.000 0.443 453 R N 0.815 121.351 120.500 0.060 0.000 2.056 453 R HA 0.064 4.404 4.340 -0.000 0.000 0.227 453 R C 2.729 179.060 176.300 0.052 0.000 1.149 453 R CA 1.204 57.335 56.100 0.052 0.000 0.937 453 R CB -0.805 29.515 30.300 0.034 0.000 0.835 453 R HN 0.440 nan 8.270 nan 0.000 0.430 454 A N 1.112 123.958 122.820 0.043 0.000 2.139 454 A HA -0.163 4.157 4.320 -0.000 0.000 0.221 454 A C 1.979 179.598 177.584 0.058 0.000 1.159 454 A CA 1.110 53.170 52.037 0.037 0.000 0.662 454 A CB -0.323 18.694 19.000 0.028 0.000 0.796 454 A HN 0.220 nan 8.150 nan 0.000 0.463 455 L N -1.485 119.791 121.223 0.088 0.000 2.202 455 L HA 0.059 4.399 4.340 -0.000 0.000 0.205 455 L C 2.259 179.253 176.870 0.207 0.000 1.083 455 L CA 1.939 56.863 54.840 0.140 0.000 0.790 455 L CB -0.479 41.665 42.059 0.141 0.000 0.942 455 L HN 0.372 nan 8.230 nan 0.000 0.452 456 Q N -0.183 119.723 119.800 0.176 0.000 2.291 456 Q HA -0.238 4.102 4.340 -0.000 0.000 0.206 456 Q C 1.894 177.881 176.000 -0.021 0.000 0.976 456 Q CA 1.222 57.105 55.803 0.134 0.000 0.875 456 Q CB -0.132 28.660 28.738 0.091 0.000 0.927 456 Q HN 0.475 nan 8.270 nan 0.000 0.450 457 E N -0.884 119.321 120.200 0.008 0.000 2.463 457 E HA -0.091 4.259 4.350 -0.000 0.000 0.201 457 E C 1.201 177.775 176.600 -0.043 0.000 1.045 457 E CA 0.955 57.340 56.400 -0.026 0.000 0.872 457 E CB -0.216 29.482 29.700 -0.003 0.000 0.797 457 E HN 0.416 nan 8.360 nan 0.000 0.538 458 A N -0.053 122.756 122.820 -0.018 0.000 2.021 458 A HA 0.080 4.400 4.320 -0.000 0.000 0.216 458 A C 1.507 178.989 177.584 -0.170 0.000 1.163 458 A CA 0.056 52.088 52.037 -0.009 0.000 0.676 458 A CB -0.154 18.940 19.000 0.156 0.000 0.818 458 A HN 0.321 nan 8.150 nan 0.000 0.453 459 L N 2.213 123.172 121.223 -0.441 0.000 2.533 459 L HA 0.149 4.489 4.340 -0.000 0.000 0.239 459 L C -0.573 176.072 176.870 -0.376 0.000 1.376 459 L CA -0.460 53.955 54.840 -0.708 0.000 1.240 459 L CB -0.182 41.066 42.059 -1.351 0.000 1.487 459 L HN 0.070 nan 8.230 nan 0.000 0.419 460 V N 3.452 123.235 119.914 -0.218 0.000 2.416 460 V HA -0.052 4.068 4.120 -0.000 0.000 0.260 460 V C 0.629 176.645 176.094 -0.129 0.000 1.018 460 V CA 0.419 62.635 62.300 -0.140 0.000 1.120 460 V CB -0.228 31.545 31.823 -0.084 0.000 1.081 460 V HN 0.408 nan 8.190 nan 0.000 0.474 461 L N 5.229 126.371 121.223 -0.135 0.000 2.325 461 L HA 0.529 4.869 4.340 -0.000 0.000 0.279 461 L C 0.797 177.624 176.870 -0.071 0.000 1.054 461 L CA 0.189 54.965 54.840 -0.107 0.000 0.804 461 L CB 1.725 43.711 42.059 -0.121 0.000 1.200 461 L HN 0.766 nan 8.230 nan 0.000 0.436 462 S N 0.223 115.891 115.700 -0.054 0.000 3.831 462 S HA 0.515 4.985 4.470 -0.000 0.000 0.222 462 S C -0.265 174.315 174.600 -0.033 0.000 1.036 462 S CA 0.112 58.289 58.200 -0.038 0.000 1.519 462 S CB 1.250 64.432 63.200 -0.029 0.000 1.039 462 S HN 0.682 nan 8.310 nan 0.000 0.690 463 D N -1.935 118.451 120.400 -0.024 0.000 2.412 463 D HA 0.213 4.852 4.640 -0.000 0.000 0.326 463 D C 0.432 176.724 176.300 -0.014 0.000 1.209 463 D CA -0.482 53.507 54.000 -0.019 0.000 0.876 463 D CB -0.243 40.546 40.800 -0.018 0.000 1.344 463 D HN 0.320 nan 8.370 nan 0.000 0.503 464 R N 1.453 121.945 120.500 -0.014 0.000 2.827 464 R HA 0.502 4.842 4.340 -0.000 0.000 0.269 464 R C 0.548 176.843 176.300 -0.008 0.000 1.048 464 R CA 0.240 56.334 56.100 -0.010 0.000 1.173 464 R CB 0.444 30.739 30.300 -0.009 0.000 1.070 464 R HN 0.139 nan 8.270 nan 0.000 0.498 470 P HA 0.504 nan 4.420 nan 0.000 0.302 470 P C 0.410 177.727 177.300 0.027 0.000 1.301 470 P CA -0.150 62.965 63.100 0.024 0.000 0.745 470 P CB 0.386 32.106 31.700 0.034 0.000 1.331 471 S N 0.044 115.768 115.700 0.040 0.000 2.592 471 S HA 0.211 4.681 4.470 -0.000 0.000 0.271 471 S C -1.250 173.387 174.600 0.060 0.000 1.326 471 S CA -1.185 57.045 58.200 0.051 0.000 1.024 471 S CB 0.081 63.322 63.200 0.068 0.000 0.921 471 S HN 0.352 nan 8.310 nan 0.000 0.527 472 P HA 0.100 nan 4.420 nan 0.000 0.240 472 P C 0.056 177.358 177.300 0.003 0.000 1.190 472 P CA 0.104 63.203 63.100 -0.002 0.000 0.781 472 P CB -0.019 31.667 31.700 -0.024 0.000 0.931 473 F N 1.389 121.310 119.950 -0.049 0.000 2.438 473 F HA 0.438 4.965 4.527 -0.000 0.000 0.356 473 F C 1.236 177.046 175.800 0.018 0.000 1.099 473 F CA -0.473 57.511 58.000 -0.028 0.000 1.185 473 F CB 1.040 40.031 39.000 -0.015 0.000 1.115 473 F HN -0.082 nan 8.300 nan 0.000 0.526 474 A N 4.940 127.658 122.820 -0.169 0.000 1.982 474 A HA 0.247 4.567 4.320 -0.000 0.000 0.217 474 A C 0.131 177.770 177.584 0.092 0.000 1.457 474 A CA 0.642 52.732 52.037 0.088 0.000 0.654 474 A CB -0.282 18.925 19.000 0.345 0.000 1.150 474 A HN 0.748 nan 8.150 nan 0.000 0.509 475 E N -1.459 118.675 120.200 -0.110 0.000 2.429 475 E HA 0.637 4.987 4.350 -0.000 0.000 0.276 475 E C -1.634 174.925 176.600 -0.068 0.000 0.953 475 E CA -0.828 55.601 56.400 0.047 0.000 0.787 475 E CB 1.481 31.213 29.700 0.054 0.000 1.307 475 E HN 0.260 nan 8.360 nan 0.000 0.458 476 L N 2.207 123.532 121.223 0.171 0.000 2.318 476 L HA 0.392 4.732 4.340 -0.000 0.000 0.277 476 L C -1.285 175.658 176.870 0.120 0.000 1.008 476 L CA -0.958 53.997 54.840 0.192 0.000 0.846 476 L CB 1.360 43.643 42.059 0.373 0.000 1.220 476 L HN 0.467 nan 8.230 nan 0.000 0.423 477 V N 5.468 125.434 119.914 0.086 0.000 2.555 477 V HA 0.213 4.333 4.120 -0.000 0.000 0.286 477 V C 0.098 176.257 176.094 0.108 0.000 1.044 477 V CA -0.232 62.116 62.300 0.080 0.000 1.026 477 V CB 1.272 33.132 31.823 0.062 0.000 0.981 477 V HN 0.534 nan 8.190 nan 0.000 0.480 478 L N 8.289 129.576 121.223 0.107 0.000 2.354 478 L HA 0.776 5.116 4.340 -0.000 0.000 0.269 478 L C -2.070 174.857 176.870 0.095 0.000 1.005 478 L CA -1.791 53.127 54.840 0.130 0.000 0.819 478 L CB 2.079 44.238 42.059 0.166 0.000 1.311 478 L HN 0.470 nan 8.230 nan 0.000 0.423 479 P HA 0.714 nan 4.420 nan 0.000 0.274 479 P C -2.771 174.565 177.300 0.059 0.000 1.256 479 P CA -0.352 62.787 63.100 0.065 0.000 0.795 479 P CB 0.048 31.783 31.700 0.058 0.000 1.038 480 P HA 0.000 nan 4.420 nan 0.000 0.216 480 P CA 0.000 nan 63.100 nan 0.000 0.800 480 P CB 0.000 nan 31.700 nan 0.000 0.726