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 2z8i_1_C DATA FIRST_RESID 39 DATA SEQUENCE DVFHPVRAKQ GMVASVDATA TQVGVDILKE GGNAVDAAVA VGYALAVTHP DATA SEQUENCE QAGNLGGGGF MLIRSKNGNT TAIDFREMAP AKATRDMFLD DQGNPDSKKS DATA SEQUENCE LTSHLASGTP GTVAGFSLAL DKYGTMPLNK VVQPAFKLAR DGFIVNDALA DATA SEQUENCE DDLKTYGSEV LPNHENSKAI FWKEGEPLKK GDTLVQANLA KSLEMIAENG DATA SEQUENCE PDEFYKGTIA EQIAQEMQKN GGLITKEDLA AYKAVERTPI SGDYRGYQVY DATA SEQUENCE SMPPPSSGGI HIVQILNILE NFDMKKYGFG SADAMQIMAE AEKYAYADRS DATA SEQUENCE EYLGDPDFVK VPWQALTNKA YAKSIADQID INKAKPSSEI RPGKLAPYE 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 39 D HA 0.000 nan 4.640 nan 0.000 0.175 39 D C 0.000 176.080 176.300 -0.367 0.000 2.045 39 D CA 0.000 53.889 54.000 -0.184 0.000 0.868 39 D CB 0.000 40.668 40.800 -0.220 0.000 0.688 40 V N 0.033 119.693 119.914 -0.424 0.000 2.825 40 V HA 0.172 4.292 4.120 -0.000 0.000 0.246 40 V C 0.177 175.725 176.094 -0.909 0.000 1.068 40 V CA 0.994 62.924 62.300 -0.617 0.000 1.088 40 V CB -0.100 31.300 31.823 -0.705 0.000 0.733 40 V HN 0.364 nan 8.190 nan 0.000 0.468 41 F N -0.320 119.401 119.950 -0.383 0.000 2.458 41 F HA 0.598 5.125 4.527 -0.000 0.000 0.336 41 F C 0.010 175.553 175.800 -0.428 0.000 1.114 41 F CA -0.932 56.881 58.000 -0.312 0.000 0.987 41 F CB 0.934 39.831 39.000 -0.170 0.000 1.130 41 F HN 0.071 nan 8.300 nan 0.000 0.458 42 H N 2.302 121.460 119.070 0.147 0.000 2.529 42 H HA 0.473 5.028 4.556 -0.000 0.000 0.348 42 H C -2.022 173.348 175.328 0.070 0.000 1.079 42 H CA -1.672 54.423 56.048 0.078 0.000 1.198 42 H CB 1.022 30.806 29.762 0.037 0.000 1.521 42 H HN 0.429 nan 8.280 nan 0.000 0.514 43 P HA 0.152 nan 4.420 nan 0.000 0.276 43 P C -0.390 176.960 177.300 0.084 0.000 1.252 43 P CA -0.603 62.556 63.100 0.098 0.000 0.802 43 P CB 1.211 32.951 31.700 0.067 0.000 1.035 44 V N 2.046 121.993 119.914 0.055 0.000 2.686 44 V HA 0.181 4.301 4.120 -0.000 0.000 0.295 44 V C 1.027 177.139 176.094 0.030 0.000 1.055 44 V CA -0.079 62.243 62.300 0.038 0.000 1.050 44 V CB 0.134 31.972 31.823 0.026 0.000 0.984 44 V HN 0.510 nan 8.190 nan 0.000 0.482 45 R N 2.448 122.962 120.500 0.022 0.000 2.637 45 R HA 0.842 5.182 4.340 -0.000 0.000 0.291 45 R C -0.759 175.548 176.300 0.012 0.000 0.963 45 R CA -0.447 55.664 56.100 0.018 0.000 0.901 45 R CB 2.087 32.396 30.300 0.015 0.000 1.160 45 R HN 0.838 nan 8.270 nan 0.000 0.457 46 A N 1.619 124.446 122.820 0.011 0.000 2.574 46 A HA 0.356 4.676 4.320 -0.000 0.000 0.297 46 A C -0.401 177.188 177.584 0.009 0.000 1.062 46 A CA -0.776 51.266 52.037 0.008 0.000 0.686 46 A CB 1.742 20.746 19.000 0.007 0.000 1.285 46 A HN 0.786 nan 8.150 nan 0.000 0.403 47 K N 0.037 120.441 120.400 0.007 0.000 2.242 47 K HA 0.035 4.355 4.320 -0.000 0.000 0.200 47 K C 1.467 178.071 176.600 0.006 0.000 1.050 47 K CA 1.172 57.463 56.287 0.007 0.000 0.981 47 K CB 0.307 32.810 32.500 0.005 0.000 0.795 47 K HN 0.768 nan 8.250 nan 0.000 0.477 48 Q N -0.504 119.299 119.800 0.005 0.000 2.530 48 Q HA 0.160 4.500 4.340 -0.000 0.000 0.198 48 Q C 0.726 176.728 176.000 0.004 0.000 0.956 48 Q CA 0.265 56.070 55.803 0.004 0.000 0.870 48 Q CB 0.651 29.391 28.738 0.003 0.000 1.050 48 Q HN 0.152 nan 8.270 nan 0.000 0.604 49 G N 0.226 109.027 108.800 0.003 0.000 2.569 49 G HA2 0.710 4.670 3.960 -0.000 0.000 0.300 49 G HA3 0.710 4.670 3.960 -0.000 0.000 0.300 49 G C -1.557 173.344 174.900 0.001 0.000 1.269 49 G CA -0.440 44.660 45.100 0.001 0.000 0.959 49 G HN 0.063 nan 8.290 nan 0.000 0.478 50 M N 0.700 120.300 119.600 0.000 0.000 2.471 50 M HA 0.605 5.085 4.480 -0.000 0.000 0.284 50 M C -1.989 174.309 176.300 -0.003 0.000 1.203 50 M CA -0.637 54.663 55.300 0.000 0.000 0.915 50 M CB 2.400 35.003 32.600 0.004 0.000 1.734 50 M HN 0.398 nan 8.290 nan 0.000 0.485 51 V N 2.517 122.428 119.914 -0.005 0.000 2.686 51 V HA 0.910 5.030 4.120 -0.000 0.000 0.306 51 V C -0.910 175.178 176.094 -0.011 0.000 1.065 51 V CA -0.659 61.636 62.300 -0.009 0.000 0.894 51 V CB 1.843 33.657 31.823 -0.015 0.000 1.004 51 V HN 0.916 nan 8.190 nan 0.000 0.424 52 A N 3.339 126.153 122.820 -0.011 0.000 2.319 52 A HA 0.962 5.282 4.320 -0.000 0.000 0.310 52 A C -0.228 177.343 177.584 -0.022 0.000 1.152 52 A CA -0.085 51.944 52.037 -0.015 0.000 0.783 52 A CB 1.598 20.592 19.000 -0.009 0.000 1.184 52 A HN 1.300 nan 8.150 nan 0.000 0.474 53 S N 0.863 116.541 115.700 -0.036 0.000 2.638 53 S HA 0.440 4.910 4.470 -0.000 0.000 0.274 53 S C 0.212 174.760 174.600 -0.087 0.000 1.157 53 S CA 0.136 58.302 58.200 -0.056 0.000 0.826 53 S CB 1.149 64.314 63.200 -0.058 0.000 1.139 53 S HN 1.446 nan 8.310 nan 0.000 0.474 54 V N 0.595 120.424 119.914 -0.141 0.000 3.305 54 V HA 0.172 4.292 4.120 -0.000 0.000 0.269 54 V C -0.019 175.940 176.094 -0.224 0.000 1.157 54 V CA 1.958 64.137 62.300 -0.202 0.000 1.157 54 V CB -1.075 30.546 31.823 -0.336 0.000 0.772 54 V HN 0.888 nan 8.190 nan 0.000 0.498 55 D N -1.900 118.390 120.400 -0.184 0.000 2.757 55 D HA 0.588 5.228 4.640 -0.000 0.000 0.249 55 D C 0.800 177.047 176.300 -0.088 0.000 1.168 55 D CA 0.336 54.252 54.000 -0.141 0.000 0.870 55 D CB 2.028 42.730 40.800 -0.163 0.000 1.411 55 D HN 0.046 nan 8.370 nan 0.000 0.525 56 A N 2.524 125.308 122.820 -0.061 0.000 1.873 56 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 56 A C 1.975 179.530 177.584 -0.048 0.000 1.193 56 A CA 2.210 54.222 52.037 -0.042 0.000 0.629 56 A CB -0.994 17.993 19.000 -0.022 0.000 0.826 56 A HN 0.661 nan 8.150 nan 0.000 0.447 57 T N 0.286 114.800 114.554 -0.066 0.000 2.652 57 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 57 T C 2.221 176.877 174.700 -0.072 0.000 1.039 57 T CA 1.948 64.002 62.100 -0.076 0.000 1.153 57 T CB -0.569 68.218 68.868 -0.134 0.000 0.863 57 T HN 0.644 nan 8.240 nan 0.000 0.428 58 A N 1.086 123.855 122.820 -0.085 0.000 1.933 58 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 58 A C 2.567 180.123 177.584 -0.046 0.000 1.175 58 A CA 2.137 54.136 52.037 -0.063 0.000 0.628 58 A CB -1.266 17.695 19.000 -0.064 0.000 0.814 58 A HN 0.478 nan 8.150 nan 0.000 0.444 59 T N 0.163 114.688 114.554 -0.048 0.000 2.746 59 T HA -0.184 4.165 4.350 -0.000 0.000 0.267 59 T C 2.045 176.729 174.700 -0.027 0.000 1.039 59 T CA 1.816 63.894 62.100 -0.035 0.000 1.142 59 T CB -0.279 68.569 68.868 -0.034 0.000 0.866 59 T HN 0.660 nan 8.240 nan 0.000 0.444 60 Q N 0.188 119.972 119.800 -0.027 0.000 2.124 60 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 60 Q C 2.529 178.519 176.000 -0.017 0.000 0.977 60 Q CA 0.961 56.752 55.803 -0.019 0.000 0.850 60 Q CB -0.351 28.377 28.738 -0.017 0.000 0.901 60 Q HN 0.332 nan 8.270 nan 0.000 0.429 61 V N 0.635 120.536 119.914 -0.022 0.000 2.343 61 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 61 V C 2.226 178.309 176.094 -0.018 0.000 1.051 61 V CA 2.076 64.366 62.300 -0.016 0.000 1.036 61 V CB -1.115 30.699 31.823 -0.016 0.000 0.654 61 V HN 0.550 nan 8.190 nan 0.000 0.451 62 G N -0.453 108.333 108.800 -0.023 0.000 2.421 62 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 62 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 62 G C 1.686 176.575 174.900 -0.018 0.000 1.171 62 G CA 1.185 46.271 45.100 -0.024 0.000 0.775 62 G HN 0.374 nan 8.290 nan 0.000 0.543 63 V N 1.398 121.303 119.914 -0.015 0.000 2.343 63 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 63 V C 2.570 178.659 176.094 -0.009 0.000 1.051 63 V CA 2.196 64.489 62.300 -0.011 0.000 1.036 63 V CB -0.431 31.387 31.823 -0.009 0.000 0.654 63 V HN 0.262 nan 8.190 nan 0.000 0.451 64 D N -0.145 120.250 120.400 -0.009 0.000 2.144 64 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 64 D C 1.927 178.222 176.300 -0.008 0.000 0.984 64 D CA 1.115 55.111 54.000 -0.006 0.000 0.834 64 D CB -0.193 40.604 40.800 -0.005 0.000 0.955 64 D HN 0.330 nan 8.370 nan 0.000 0.465 65 I N 0.601 121.164 120.570 -0.011 0.000 2.252 65 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 65 I C 2.414 178.524 176.117 -0.011 0.000 1.102 65 I CA 0.681 61.973 61.300 -0.013 0.000 1.385 65 I CB -0.551 37.437 38.000 -0.020 0.000 1.064 65 I HN 0.025 nan 8.210 nan 0.000 0.414 66 L N -0.152 121.065 121.223 -0.010 0.000 2.017 66 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 66 L C 2.430 179.297 176.870 -0.005 0.000 1.073 66 L CA 1.435 56.271 54.840 -0.007 0.000 0.745 66 L CB -0.659 41.396 42.059 -0.007 0.000 0.894 66 L HN 0.193 nan 8.230 nan 0.000 0.432 67 K N 0.066 120.464 120.400 -0.005 0.000 2.209 67 K HA -0.176 4.144 4.320 -0.000 0.000 0.204 67 K C 1.724 178.323 176.600 -0.003 0.000 1.048 67 K CA 1.174 57.459 56.287 -0.003 0.000 0.940 67 K CB -0.065 32.433 32.500 -0.002 0.000 0.729 67 K HN 0.395 nan 8.250 nan 0.000 0.451 68 E N -0.659 119.539 120.200 -0.004 0.000 2.481 68 E HA -0.021 4.328 4.350 -0.000 0.000 0.195 68 E C 0.819 177.417 176.600 -0.004 0.000 1.047 68 E CA 0.374 56.772 56.400 -0.004 0.000 0.867 68 E CB 0.393 30.090 29.700 -0.005 0.000 0.858 68 E HN 0.518 nan 8.360 nan 0.000 0.513 69 G N 0.795 109.593 108.800 -0.004 0.000 2.184 69 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.206 69 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.206 69 G C 0.491 175.389 174.900 -0.003 0.000 0.995 69 G CA -0.391 44.708 45.100 -0.003 0.000 0.651 69 G HN 0.453 nan 8.290 nan 0.000 0.511 70 G N 0.420 109.217 108.800 -0.005 0.000 2.569 70 G HA2 0.519 4.478 3.960 -0.000 0.000 0.249 70 G HA3 0.519 4.478 3.960 -0.000 0.000 0.249 70 G C 0.413 175.311 174.900 -0.002 0.000 1.216 70 G CA 0.496 45.592 45.100 -0.006 0.000 0.845 70 G HN 0.929 nan 8.290 nan 0.000 0.568 71 N N -0.314 118.387 118.700 0.002 0.000 2.476 71 N HA 0.435 5.175 4.740 -0.000 0.000 0.287 71 N C 1.439 176.949 175.510 0.001 0.000 1.262 71 N CA 0.012 53.065 53.050 0.006 0.000 0.980 71 N CB 0.527 39.024 38.487 0.016 0.000 1.163 71 N HN 0.440 nan 8.380 nan 0.000 0.592 72 A N -0.346 122.475 122.820 0.001 0.000 1.940 72 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 72 A C 2.079 179.659 177.584 -0.007 0.000 1.176 72 A CA 1.861 53.895 52.037 -0.005 0.000 0.631 72 A CB -1.120 17.875 19.000 -0.007 0.000 0.814 72 A HN 0.432 nan 8.150 nan 0.000 0.446 73 V N 0.444 120.363 119.914 0.009 0.000 2.379 73 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 73 V C 2.163 178.249 176.094 -0.014 0.000 1.044 73 V CA 2.099 64.409 62.300 0.015 0.000 1.036 73 V CB -0.752 31.115 31.823 0.073 0.000 0.664 73 V HN 0.516 nan 8.190 nan 0.000 0.453 74 D N 0.778 121.173 120.400 -0.008 0.000 2.104 74 D HA -0.186 4.454 4.640 -0.000 0.000 0.194 74 D C 2.240 178.511 176.300 -0.048 0.000 0.994 74 D CA 1.858 55.843 54.000 -0.025 0.000 0.830 74 D CB -0.313 40.478 40.800 -0.015 0.000 0.959 74 D HN 0.448 nan 8.370 nan 0.000 0.452 75 A N 1.196 123.992 122.820 -0.039 0.000 1.902 75 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 75 A C 2.356 179.896 177.584 -0.074 0.000 1.181 75 A CA 2.331 54.341 52.037 -0.045 0.000 0.623 75 A CB -0.704 18.279 19.000 -0.029 0.000 0.818 75 A HN 0.250 nan 8.150 nan 0.000 0.443 76 A N -0.615 122.155 122.820 -0.082 0.000 1.902 76 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 76 A C 2.223 179.634 177.584 -0.288 0.000 1.181 76 A CA 1.851 53.815 52.037 -0.121 0.000 0.623 76 A CB -0.881 18.078 19.000 -0.068 0.000 0.818 76 A HN 0.400 nan 8.150 nan 0.000 0.443 77 V N -0.304 119.415 119.914 -0.326 0.000 2.427 77 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 77 V C 3.024 178.949 176.094 -0.281 0.000 1.051 77 V CA 1.762 63.731 62.300 -0.552 0.000 1.048 77 V CB -1.124 30.531 31.823 -0.279 0.000 0.666 77 V HN 0.612 nan 8.190 nan 0.000 0.456 78 A N -0.194 122.551 122.820 -0.125 0.000 1.902 78 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 78 A C 2.386 179.955 177.584 -0.024 0.000 1.181 78 A CA 1.993 54.009 52.037 -0.034 0.000 0.623 78 A CB -0.624 18.354 19.000 -0.037 0.000 0.818 78 A HN 0.331 nan 8.150 nan 0.000 0.443 79 V N -0.097 119.771 119.914 -0.076 0.000 2.358 79 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 79 V C 2.815 178.883 176.094 -0.042 0.000 1.047 79 V CA 1.911 64.180 62.300 -0.052 0.000 1.035 79 V CB -1.399 30.391 31.823 -0.054 0.000 0.658 79 V HN 0.611 nan 8.190 nan 0.000 0.452 80 G N -1.679 107.027 108.800 -0.156 0.000 2.418 80 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 80 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 80 G C 1.503 176.434 174.900 0.053 0.000 1.158 80 G CA 0.914 45.968 45.100 -0.077 0.000 0.771 80 G HN 0.526 nan 8.290 nan 0.000 0.545 81 Y N 1.017 121.310 120.300 -0.012 0.000 2.263 81 Y HA 0.126 4.676 4.550 -0.000 0.000 0.292 81 Y C 3.125 179.061 175.900 0.059 0.000 1.130 81 Y CA 0.831 58.977 58.100 0.076 0.000 1.179 81 Y CB -0.063 38.419 38.460 0.037 0.000 0.998 81 Y HN 0.264 nan 8.280 nan 0.000 0.532 82 A N 0.074 122.989 122.820 0.158 0.000 1.902 82 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 82 A C 2.143 179.754 177.584 0.046 0.000 1.181 82 A CA 1.591 53.673 52.037 0.076 0.000 0.623 82 A CB -1.095 17.916 19.000 0.018 0.000 0.818 82 A HN 0.479 nan 8.150 nan 0.000 0.443 83 L N -0.735 120.521 121.223 0.055 0.000 2.191 83 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 83 L C 2.914 179.853 176.870 0.115 0.000 1.103 83 L CA 0.819 55.705 54.840 0.076 0.000 0.769 83 L CB -0.446 41.666 42.059 0.088 0.000 0.908 83 L HN 0.436 nan 8.230 nan 0.000 0.438 84 A N -0.795 122.092 122.820 0.111 0.000 2.125 84 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 84 A C 2.134 179.807 177.584 0.149 0.000 1.156 84 A CA 1.442 53.544 52.037 0.109 0.000 0.671 84 A CB -0.298 18.751 19.000 0.081 0.000 0.794 84 A HN 0.255 nan 8.150 nan 0.000 0.459 85 V N -1.142 118.859 119.914 0.146 0.000 2.743 85 V HA -0.067 4.053 4.120 -0.000 0.000 0.237 85 V C 2.618 178.812 176.094 0.166 0.000 1.113 85 V CA 1.813 64.225 62.300 0.187 0.000 1.141 85 V CB -0.522 31.395 31.823 0.158 0.000 0.873 85 V HN 0.683 nan 8.190 nan 0.000 0.486 86 T N -2.793 111.710 114.554 -0.085 0.000 3.088 86 T HA -0.052 4.298 4.350 -0.000 0.000 0.259 86 T C 0.905 175.626 174.700 0.035 0.000 1.122 86 T CA 0.902 62.772 62.100 -0.383 0.000 1.095 86 T CB -0.272 68.248 68.868 -0.580 0.000 0.930 86 T HN 0.568 nan 8.240 nan 0.000 0.508 87 H N 1.462 120.536 119.070 0.007 0.000 2.439 87 H HA 0.277 4.832 4.556 -0.000 0.000 0.230 87 H C -2.082 173.277 175.328 0.051 0.000 1.420 87 H CA -1.807 54.261 56.048 0.034 0.000 1.305 87 H CB 1.575 31.338 29.762 0.001 0.000 1.667 87 H HN 0.133 nan 8.280 nan 0.000 0.515 88 P HA -0.173 nan 4.420 nan 0.000 0.223 88 P C 0.979 178.150 177.300 -0.215 0.000 1.144 88 P CA 0.842 63.917 63.100 -0.042 0.000 0.783 88 P CB 0.450 32.170 31.700 0.034 0.000 0.771 89 Q N 0.020 119.583 119.800 -0.395 0.000 2.096 89 Q HA -0.074 4.266 4.340 -0.000 0.000 0.204 89 Q C 2.093 177.889 176.000 -0.340 0.000 0.982 89 Q CA 2.561 58.106 55.803 -0.429 0.000 0.850 89 Q CB -0.533 27.840 28.738 -0.610 0.000 0.901 89 Q HN 0.352 nan 8.270 nan 0.000 0.422 90 A N -1.088 121.531 122.820 -0.336 0.000 1.996 90 A HA 0.394 4.714 4.320 -0.000 0.000 0.185 90 A C 1.066 178.659 177.584 0.016 0.000 1.803 90 A CA 0.204 52.181 52.037 -0.100 0.000 1.335 90 A CB -0.339 18.660 19.000 -0.003 0.000 1.486 90 A HN 0.287 nan 8.150 nan 0.000 0.408 91 G N 0.983 109.845 108.800 0.103 0.000 2.491 91 G HA2 0.417 4.377 3.960 -0.000 0.000 0.238 91 G HA3 0.417 4.377 3.960 -0.000 0.000 0.238 91 G C -0.317 174.611 174.900 0.046 0.000 1.277 91 G CA 0.636 45.809 45.100 0.122 0.000 0.851 91 G HN 1.137 nan 8.290 nan 0.000 0.573 92 N N -0.931 117.782 118.700 0.021 0.000 3.348 92 N HA 0.255 4.995 4.740 -0.000 0.000 0.233 92 N C -0.237 175.214 175.510 -0.099 0.000 1.440 92 N CA -0.897 52.140 53.050 -0.022 0.000 0.887 92 N CB 0.773 39.232 38.487 -0.046 0.000 1.410 92 N HN 0.242 nan 8.380 nan 0.000 0.502 93 L N -1.302 119.869 121.223 -0.087 0.000 2.803 93 L HA 0.451 4.791 4.340 -0.000 0.000 0.246 93 L C 1.474 178.257 176.870 -0.145 0.000 1.100 93 L CA 0.410 55.138 54.840 -0.188 0.000 0.919 93 L CB 0.519 42.563 42.059 -0.026 0.000 1.285 93 L HN 0.906 nan 8.230 nan 0.000 0.522 94 G N 0.005 108.794 108.800 -0.018 0.000 3.371 94 G HA2 0.394 4.354 3.960 -0.000 0.000 0.248 94 G HA3 0.394 4.354 3.960 -0.000 0.000 0.248 94 G C 0.453 175.332 174.900 -0.035 0.000 1.161 94 G CA 0.556 45.678 45.100 0.035 0.000 0.796 94 G HN 0.352 nan 8.290 nan 0.000 0.539 95 G N -1.090 107.653 108.800 -0.096 0.000 3.264 95 G HA2 0.721 4.681 3.960 -0.000 0.000 0.168 95 G HA3 0.721 4.681 3.960 -0.000 0.000 0.168 95 G C -0.244 174.573 174.900 -0.139 0.000 1.145 95 G CA -0.121 44.916 45.100 -0.105 0.000 0.855 95 G HN 0.720 nan 8.290 nan 0.000 0.629 96 G N -2.881 105.832 108.800 -0.145 0.000 2.606 96 G HA2 0.751 4.711 3.960 -0.000 0.000 0.300 96 G HA3 0.751 4.711 3.960 -0.000 0.000 0.300 96 G C -0.513 174.159 174.900 -0.379 0.000 1.360 96 G CA 0.385 45.389 45.100 -0.161 0.000 0.783 96 G HN 1.846 nan 8.290 nan 0.000 0.484 97 G N -1.894 106.310 108.800 -0.992 0.000 2.364 97 G HA2 0.611 4.571 3.960 -0.000 0.000 0.286 97 G HA3 0.611 4.571 3.960 -0.000 0.000 0.286 97 G C -2.102 171.353 174.900 -2.407 0.000 1.241 97 G CA -0.597 43.645 45.100 -1.430 0.000 0.887 97 G HN 0.825 nan 8.290 nan 0.000 0.484 98 F N -0.193 119.160 119.950 -0.995 0.000 2.588 98 F HA 0.820 5.347 4.527 -0.000 0.000 0.310 98 F C 0.163 175.904 175.800 -0.098 0.000 1.082 98 F CA -0.779 56.875 58.000 -0.576 0.000 0.929 98 F CB 2.662 41.502 39.000 -0.267 0.000 1.254 98 F HN 0.483 nan 8.300 nan 0.000 0.455 99 M N 3.652 123.456 119.600 0.341 0.000 2.263 99 M HA 0.608 5.088 4.480 -0.000 0.000 0.295 99 M C -2.235 174.175 176.300 0.183 0.000 1.028 99 M CA -0.979 54.519 55.300 0.331 0.000 0.921 99 M CB 1.871 34.747 32.600 0.460 0.000 1.601 99 M HN 0.639 nan 8.290 nan 0.000 0.440 100 L N 6.598 127.884 121.223 0.105 0.000 2.296 100 L HA 0.684 5.024 4.340 -0.000 0.000 0.286 100 L C -1.568 175.292 176.870 -0.016 0.000 1.023 100 L CA -0.174 54.682 54.840 0.027 0.000 0.812 100 L CB 1.426 43.496 42.059 0.017 0.000 1.223 100 L HN 0.696 nan 8.230 nan 0.000 0.421 101 I N 5.092 125.607 120.570 -0.091 0.000 2.465 101 I HA 0.541 4.711 4.170 -0.000 0.000 0.291 101 I C -0.419 175.573 176.117 -0.208 0.000 1.014 101 I CA -0.691 60.516 61.300 -0.155 0.000 1.093 101 I CB 1.865 39.703 38.000 -0.270 0.000 1.267 101 I HN 0.549 nan 8.210 nan 0.000 0.431 102 R N 4.614 125.011 120.500 -0.171 0.000 2.468 102 R HA 0.417 4.757 4.340 -0.000 0.000 0.302 102 R C -0.466 175.755 176.300 -0.132 0.000 1.041 102 R CA -0.329 55.660 56.100 -0.186 0.000 0.899 102 R CB 1.556 31.745 30.300 -0.184 0.000 1.167 102 R HN 0.860 nan 8.270 nan 0.000 0.483 103 S N 2.632 118.253 115.700 -0.132 0.000 2.600 103 S HA 0.066 4.536 4.470 -0.000 0.000 0.265 103 S C 1.146 175.715 174.600 -0.051 0.000 1.325 103 S CA -0.456 57.700 58.200 -0.075 0.000 1.002 103 S CB 1.302 64.472 63.200 -0.050 0.000 0.921 103 S HN 0.783 nan 8.310 nan 0.000 0.554 104 K N 1.104 121.489 120.400 -0.026 0.000 2.211 104 K HA -0.221 4.099 4.320 -0.000 0.000 0.204 104 K C 1.100 177.692 176.600 -0.014 0.000 1.047 104 K CA 1.934 58.212 56.287 -0.015 0.000 0.935 104 K CB -0.902 31.595 32.500 -0.004 0.000 0.728 104 K HN 0.774 nan 8.250 nan 0.000 0.452 105 N N -0.127 118.565 118.700 -0.014 0.000 2.461 105 N HA 0.067 4.807 4.740 -0.000 0.000 0.188 105 N C 1.074 176.573 175.510 -0.019 0.000 1.134 105 N CA 0.606 53.651 53.050 -0.009 0.000 0.878 105 N CB 0.796 39.283 38.487 0.000 0.000 0.972 105 N HN 0.428 nan 8.380 nan 0.000 0.456 106 G N -0.097 108.678 108.800 -0.041 0.000 2.194 106 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.236 106 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.236 106 G C -0.317 174.521 174.900 -0.103 0.000 0.987 106 G CA -0.047 45.015 45.100 -0.063 0.000 0.635 106 G HN 0.655 nan 8.290 nan 0.000 0.520 107 N N 1.369 120.017 118.700 -0.087 0.000 2.427 107 N HA 0.327 5.067 4.740 -0.000 0.000 0.269 107 N C -0.517 174.881 175.510 -0.187 0.000 1.235 107 N CA 0.700 53.690 53.050 -0.100 0.000 0.934 107 N CB 0.201 38.658 38.487 -0.050 0.000 1.121 107 N HN 0.155 nan 8.380 nan 0.000 0.480 108 T N 2.591 117.000 114.554 -0.240 0.000 2.770 108 T HA 0.274 4.624 4.350 -0.000 0.000 0.283 108 T C -0.145 174.417 174.700 -0.230 0.000 0.988 108 T CA -0.445 61.455 62.100 -0.334 0.000 0.957 108 T CB 1.695 70.156 68.868 -0.678 0.000 0.930 108 T HN 0.420 nan 8.240 nan 0.000 0.443 109 T N 1.242 115.669 114.554 -0.211 0.000 2.883 109 T HA 0.759 5.109 4.350 -0.000 0.000 0.296 109 T C -1.617 173.030 174.700 -0.089 0.000 1.117 109 T CA -0.559 61.462 62.100 -0.131 0.000 1.006 109 T CB 1.388 70.181 68.868 -0.125 0.000 1.191 109 T HN 0.756 nan 8.240 nan 0.000 0.508 110 A N 3.011 125.814 122.820 -0.028 0.000 2.355 110 A HA 0.781 5.101 4.320 -0.000 0.000 0.317 110 A C -1.090 176.549 177.584 0.090 0.000 1.094 110 A CA -0.669 51.378 52.037 0.016 0.000 0.764 110 A CB 0.841 19.825 19.000 -0.026 0.000 1.230 110 A HN 0.663 nan 8.150 nan 0.000 0.448 111 I N 2.621 123.298 120.570 0.178 0.000 2.355 111 I HA 0.245 4.415 4.170 -0.000 0.000 0.288 111 I C -0.677 175.652 176.117 0.353 0.000 0.999 111 I CA -0.423 61.042 61.300 0.275 0.000 1.163 111 I CB 1.376 39.593 38.000 0.361 0.000 1.316 111 I HN 0.733 nan 8.210 nan 0.000 0.454 112 D N 7.372 127.953 120.400 0.302 0.000 2.380 112 D HA 0.236 4.876 4.640 -0.000 0.000 0.230 112 D C -0.279 176.178 176.300 0.262 0.000 1.154 112 D CA -0.339 53.860 54.000 0.331 0.000 0.859 112 D CB 0.253 41.217 40.800 0.273 0.000 1.045 112 D HN 0.338 nan 8.370 nan 0.000 0.495 113 F N 2.005 121.968 119.950 0.021 0.000 2.818 113 F HA 0.476 5.003 4.527 -0.000 0.000 0.369 113 F C 0.141 175.878 175.800 -0.104 0.000 1.327 113 F CA -1.372 56.641 58.000 0.021 0.000 1.211 113 F CB -0.141 38.827 39.000 -0.053 0.000 1.036 113 F HN 0.028 nan 8.300 nan 0.000 0.510 114 R N 1.833 122.227 120.500 -0.176 0.000 2.490 114 R HA 0.269 4.609 4.340 -0.000 0.000 0.280 114 R C -0.198 176.151 176.300 0.081 0.000 1.077 114 R CA -0.123 55.831 56.100 -0.243 0.000 1.065 114 R CB 0.408 30.620 30.300 -0.147 0.000 1.003 114 R HN 0.424 nan 8.270 nan 0.000 0.470 115 E N 2.754 122.958 120.200 0.006 0.000 2.415 115 E HA 0.051 4.401 4.350 -0.000 0.000 0.262 115 E C -0.299 176.416 176.600 0.192 0.000 1.038 115 E CA 0.665 57.115 56.400 0.083 0.000 0.921 115 E CB 0.471 30.171 29.700 -0.001 0.000 0.950 115 E HN 0.466 nan 8.360 nan 0.000 0.438 116 M N 1.893 121.666 119.600 0.288 0.000 2.300 116 M HA 0.401 4.881 4.480 -0.000 0.000 0.348 116 M C -0.237 176.148 176.300 0.142 0.000 1.151 116 M CA -0.771 54.666 55.300 0.227 0.000 1.046 116 M CB 1.775 34.554 32.600 0.299 0.000 1.647 116 M HN 0.575 nan 8.290 nan 0.000 0.451 117 A N 4.305 127.170 122.820 0.076 0.000 2.445 117 A HA 0.473 4.793 4.320 -0.000 0.000 0.242 117 A C -2.431 175.194 177.584 0.068 0.000 1.075 117 A CA -1.015 51.055 52.037 0.054 0.000 0.777 117 A CB -0.728 18.274 19.000 0.003 0.000 1.013 117 A HN 0.466 nan 8.150 nan 0.000 0.493 118 P HA 0.175 nan 4.420 nan 0.000 0.269 118 P C 0.804 178.134 177.300 0.049 0.000 1.217 118 P CA 0.604 63.742 63.100 0.063 0.000 0.783 118 P CB 0.632 32.360 31.700 0.047 0.000 0.898 119 A N 2.592 125.447 122.820 0.058 0.000 2.070 119 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 119 A C 1.555 179.156 177.584 0.030 0.000 1.159 119 A CA 1.477 53.546 52.037 0.053 0.000 0.656 119 A CB -0.713 18.321 19.000 0.056 0.000 0.800 119 A HN 0.370 nan 8.150 nan 0.000 0.453 120 K N 0.061 120.471 120.400 0.017 0.000 2.444 120 K HA 0.305 4.625 4.320 -0.000 0.000 0.193 120 K C 0.657 177.240 176.600 -0.029 0.000 1.024 120 K CA 0.564 56.849 56.287 -0.003 0.000 1.077 120 K CB -0.473 32.025 32.500 -0.004 0.000 0.833 120 K HN 0.440 nan 8.250 nan 0.000 0.517 121 A N 1.821 124.622 122.820 -0.031 0.000 2.407 121 A HA 0.299 4.619 4.320 -0.000 0.000 0.248 121 A C 0.475 178.012 177.584 -0.078 0.000 1.082 121 A CA 0.054 52.046 52.037 -0.075 0.000 0.785 121 A CB 0.112 19.078 19.000 -0.057 0.000 1.020 121 A HN 0.285 nan 8.150 nan 0.000 0.489 122 T N -0.981 113.499 114.554 -0.124 0.000 2.906 122 T HA 0.487 4.837 4.350 -0.000 0.000 0.295 122 T C 0.942 175.576 174.700 -0.109 0.000 1.075 122 T CA -0.669 61.374 62.100 -0.095 0.000 1.005 122 T CB 1.474 70.293 68.868 -0.083 0.000 1.136 122 T HN 0.701 nan 8.240 nan 0.000 0.498 123 R N 0.346 120.810 120.500 -0.061 0.000 2.112 123 R HA -0.160 4.180 4.340 -0.000 0.000 0.242 123 R C 0.210 176.485 176.300 -0.042 0.000 1.137 123 R CA 2.261 58.338 56.100 -0.038 0.000 0.944 123 R CB -0.389 29.903 30.300 -0.014 0.000 0.857 123 R HN 0.686 nan 8.270 nan 0.000 0.435 124 D N 0.193 120.560 120.400 -0.055 0.000 2.460 124 D HA 0.003 4.643 4.640 -0.000 0.000 0.229 124 D C 1.335 177.573 176.300 -0.104 0.000 1.170 124 D CA 0.098 54.071 54.000 -0.044 0.000 0.827 124 D CB 0.255 41.043 40.800 -0.021 0.000 0.973 124 D HN 0.500 nan 8.370 nan 0.000 0.496 125 M N -1.960 117.494 119.600 -0.243 0.000 2.358 125 M HA -0.049 4.431 4.480 -0.000 0.000 0.264 125 M C 0.419 176.463 176.300 -0.427 0.000 1.064 125 M CA 1.425 56.488 55.300 -0.396 0.000 1.093 125 M CB -0.324 31.912 32.600 -0.607 0.000 1.401 125 M HN -0.178 nan 8.290 nan 0.000 0.440 126 F N 1.425 121.376 119.950 0.003 0.000 2.664 126 F HA 0.471 4.998 4.527 0.000 0.000 0.303 126 F C 0.373 176.175 175.800 0.003 0.000 1.092 126 F CA -0.667 57.335 58.000 0.003 0.000 1.305 126 F CB -0.195 38.805 39.000 0.001 0.000 1.054 126 F HN 0.010 nan 8.300 nan 0.000 0.565 127 L N 1.214 122.507 121.223 0.116 0.000 2.350 127 L HA 0.261 4.601 4.340 -0.000 0.000 0.275 127 L C 0.223 177.126 176.870 0.055 0.000 1.099 127 L CA -0.895 53.992 54.840 0.078 0.000 0.808 127 L CB 0.553 42.639 42.059 0.044 0.000 1.149 127 L HN 0.077 nan 8.230 nan 0.000 0.442 128 D N 0.169 120.599 120.400 0.049 0.000 2.447 128 D HA 0.018 4.658 4.640 -0.000 0.000 0.265 128 D C 0.428 176.742 176.300 0.023 0.000 1.250 128 D CA -0.537 53.484 54.000 0.036 0.000 1.046 128 D CB 0.543 41.363 40.800 0.033 0.000 1.095 128 D HN 0.362 nan 8.370 nan 0.000 0.555 129 D N -1.128 119.282 120.400 0.017 0.000 2.221 129 D HA -0.137 4.503 4.640 -0.000 0.000 0.204 129 D C 1.496 177.802 176.300 0.011 0.000 0.982 129 D CA 1.025 55.031 54.000 0.011 0.000 0.857 129 D CB -0.001 40.805 40.800 0.009 0.000 0.934 129 D HN 0.334 nan 8.370 nan 0.000 0.475 130 Q N -0.884 118.924 119.800 0.013 0.000 2.425 130 Q HA 0.165 4.505 4.340 -0.000 0.000 0.204 130 Q C 1.318 177.326 176.000 0.013 0.000 0.933 130 Q CA 0.665 56.475 55.803 0.011 0.000 0.939 130 Q CB 0.809 29.554 28.738 0.010 0.000 1.044 130 Q HN 0.363 nan 8.270 nan 0.000 0.513 131 G N 1.298 110.108 108.800 0.016 0.000 2.157 131 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.239 131 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.239 131 G C -0.154 174.760 174.900 0.024 0.000 0.982 131 G CA 0.039 45.150 45.100 0.018 0.000 0.650 131 G HN 0.409 nan 8.290 nan 0.000 0.527 132 N N 1.429 120.145 118.700 0.026 0.000 2.430 132 N HA 0.563 5.303 4.740 -0.000 0.000 0.292 132 N C -2.789 172.746 175.510 0.041 0.000 1.051 132 N CA -1.694 51.373 53.050 0.028 0.000 0.917 132 N CB 1.647 40.146 38.487 0.019 0.000 1.164 132 N HN -0.008 nan 8.380 nan 0.000 0.484 133 P HA -0.055 nan 4.420 nan 0.000 0.265 133 P C -1.007 176.322 177.300 0.049 0.000 1.193 133 P CA 0.344 63.483 63.100 0.065 0.000 0.765 133 P CB 0.441 32.169 31.700 0.046 0.000 0.823 134 D N 1.716 122.159 120.400 0.072 0.000 2.454 134 D HA 0.072 4.712 4.640 -0.000 0.000 0.225 134 D C 1.020 177.325 176.300 0.008 0.000 1.081 134 D CA -0.248 53.782 54.000 0.049 0.000 0.864 134 D CB 0.648 41.493 40.800 0.076 0.000 1.040 134 D HN 0.201 nan 8.370 nan 0.000 0.517 135 S N 3.536 119.220 115.700 -0.026 0.000 2.442 135 S HA -0.176 4.294 4.470 -0.000 0.000 0.236 135 S C 1.529 176.089 174.600 -0.067 0.000 1.007 135 S CA 0.750 58.907 58.200 -0.072 0.000 0.965 135 S CB -0.042 63.125 63.200 -0.054 0.000 0.773 135 S HN 0.446 nan 8.310 nan 0.000 0.504 136 K N 1.273 121.660 120.400 -0.021 0.000 2.097 136 K HA 0.033 4.353 4.320 -0.000 0.000 0.205 136 K C 2.299 178.906 176.600 0.011 0.000 1.050 136 K CA 1.235 57.520 56.287 -0.004 0.000 0.938 136 K CB -0.123 32.387 32.500 0.017 0.000 0.718 136 K HN 0.401 nan 8.250 nan 0.000 0.442 137 K N 0.517 120.944 120.400 0.045 0.000 2.148 137 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 137 K C 2.061 178.688 176.600 0.046 0.000 1.050 137 K CA 1.608 57.979 56.287 0.139 0.000 0.942 137 K CB 0.058 32.741 32.500 0.305 0.000 0.724 137 K HN 0.142 nan 8.250 nan 0.000 0.446 138 S N -0.193 115.330 115.700 -0.295 0.000 2.575 138 S HA 0.132 4.602 4.470 -0.000 0.000 0.215 138 S C 1.550 175.957 174.600 -0.322 0.000 0.966 138 S CA 0.098 57.881 58.200 -0.696 0.000 0.911 138 S CB 0.096 62.587 63.200 -1.182 0.000 0.780 138 S HN 0.148 nan 8.310 nan 0.000 0.514 139 L N 0.599 121.722 121.223 -0.168 0.000 2.694 139 L HA 0.213 4.553 4.340 -0.000 0.000 0.228 139 L C 2.118 178.950 176.870 -0.062 0.000 1.048 139 L CA 0.940 55.715 54.840 -0.109 0.000 0.887 139 L CB 0.190 42.195 42.059 -0.090 0.000 1.265 139 L HN 0.473 nan 8.230 nan 0.000 0.492 140 T N -3.975 110.561 114.554 -0.030 0.000 3.003 140 T HA 0.151 4.501 4.350 -0.000 0.000 0.261 140 T C 0.813 175.530 174.700 0.029 0.000 1.003 140 T CA 0.199 62.300 62.100 0.002 0.000 0.917 140 T CB 0.189 69.072 68.868 0.025 0.000 1.084 140 T HN 0.167 nan 8.240 nan 0.000 0.522 141 S N 0.391 116.118 115.700 0.046 0.000 2.707 141 S HA 0.379 4.849 4.470 -0.000 0.000 0.276 141 S C 0.668 175.308 174.600 0.067 0.000 1.179 141 S CA -0.416 57.851 58.200 0.111 0.000 0.992 141 S CB 0.702 63.993 63.200 0.152 0.000 1.030 141 S HN 0.248 nan 8.310 nan 0.000 0.554 142 H N 0.096 119.191 119.070 0.041 0.000 2.524 142 H HA 0.233 4.788 4.556 -0.000 0.000 0.282 142 H C 1.290 176.650 175.328 0.053 0.000 1.016 142 H CA 1.203 57.263 56.048 0.020 0.000 1.270 142 H CB -0.428 29.339 29.762 0.009 0.000 1.394 142 H HN 0.413 nan 8.280 nan 0.000 0.568 143 L N -0.472 120.874 121.223 0.205 0.000 2.478 143 L HA 0.031 4.371 4.340 -0.000 0.000 0.223 143 L C 2.227 179.283 176.870 0.310 0.000 1.140 143 L CA 0.505 55.478 54.840 0.221 0.000 0.842 143 L CB -0.195 42.008 42.059 0.239 0.000 0.953 143 L HN 0.289 nan 8.230 nan 0.000 0.452 144 A N -0.902 122.032 122.820 0.189 0.000 2.167 144 A HA 0.039 4.359 4.320 -0.000 0.000 0.214 144 A C 1.169 178.787 177.584 0.058 0.000 1.151 144 A CA 0.314 52.404 52.037 0.089 0.000 0.735 144 A CB -0.139 18.844 19.000 -0.029 0.000 0.802 144 A HN 0.297 nan 8.150 nan 0.000 0.467 145 S N -0.144 115.592 115.700 0.060 0.000 2.508 145 S HA 0.554 5.024 4.470 -0.000 0.000 0.284 145 S C 0.431 175.064 174.600 0.055 0.000 1.192 145 S CA -0.230 57.988 58.200 0.029 0.000 1.070 145 S CB 1.559 64.756 63.200 -0.004 0.000 1.004 145 S HN 0.538 nan 8.310 nan 0.000 0.493 146 G N 0.962 109.784 108.800 0.037 0.000 2.461 146 G HA2 0.493 4.453 3.960 -0.000 0.000 0.329 146 G HA3 0.493 4.453 3.960 -0.000 0.000 0.329 146 G C -0.527 174.398 174.900 0.042 0.000 1.170 146 G CA -0.651 44.480 45.100 0.051 0.000 0.935 146 G HN 0.565 nan 8.290 nan 0.000 0.492 147 T N 3.062 117.660 114.554 0.073 0.000 2.817 147 T HA 0.272 4.622 4.350 -0.000 0.000 0.295 147 T C -2.177 172.489 174.700 -0.057 0.000 0.958 147 T CA -0.280 61.864 62.100 0.073 0.000 1.157 147 T CB 0.986 69.965 68.868 0.184 0.000 0.898 147 T HN 0.188 nan 8.240 nan 0.000 0.536 148 P HA 0.171 nan 4.420 nan 0.000 0.265 148 P C 0.767 177.795 177.300 -0.453 0.000 1.193 148 P CA 0.079 63.094 63.100 -0.142 0.000 0.765 148 P CB 0.489 32.225 31.700 0.061 0.000 0.823 149 G N 1.299 109.817 108.800 -0.470 0.000 2.944 149 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.223 149 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.223 149 G C 1.166 175.948 174.900 -0.197 0.000 1.071 149 G CA 0.135 44.923 45.100 -0.520 0.000 0.806 149 G HN 0.344 nan 8.290 nan 0.000 0.538 150 T N 1.400 115.761 114.554 -0.321 0.000 2.635 150 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 150 T C 2.543 176.671 174.700 -0.954 0.000 1.040 150 T CA 1.703 63.361 62.100 -0.735 0.000 1.156 150 T CB -0.264 68.202 68.868 -0.669 0.000 0.863 150 T HN 0.035 nan 8.240 nan 0.000 0.430 151 V N 1.497 120.999 119.914 -0.687 0.000 2.343 151 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 151 V C 2.827 178.867 176.094 -0.091 0.000 1.051 151 V CA 1.734 63.797 62.300 -0.394 0.000 1.036 151 V CB -1.170 30.343 31.823 -0.517 0.000 0.654 151 V HN 0.558 nan 8.190 nan 0.000 0.451 152 A N 0.352 123.193 122.820 0.035 0.000 1.898 152 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 152 A C 2.422 179.965 177.584 -0.068 0.000 1.181 152 A CA 1.886 53.933 52.037 0.017 0.000 0.620 152 A CB -1.187 17.790 19.000 -0.038 0.000 0.819 152 A HN 0.521 nan 8.150 nan 0.000 0.442 153 G N -1.084 107.551 108.800 -0.276 0.000 2.421 153 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 153 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 153 G C 1.308 176.021 174.900 -0.311 0.000 1.171 153 G CA 1.080 45.913 45.100 -0.444 0.000 0.775 153 G HN 0.363 nan 8.290 nan 0.000 0.543 154 F N 1.711 121.374 119.950 -0.479 0.000 2.171 154 F HA 0.016 4.543 4.527 -0.000 0.000 0.300 154 F C 3.002 178.768 175.800 -0.056 0.000 1.090 154 F CA 0.856 58.713 58.000 -0.240 0.000 1.293 154 F CB -0.800 38.084 39.000 -0.193 0.000 1.013 154 F HN 0.107 nan 8.300 nan 0.000 0.486 155 S N 0.155 115.953 115.700 0.163 0.000 2.406 155 S HA -0.082 4.388 4.470 -0.000 0.000 0.228 155 S C 2.223 176.869 174.600 0.077 0.000 1.020 155 S CA 0.430 58.703 58.200 0.121 0.000 0.965 155 S CB -0.445 62.823 63.200 0.114 0.000 0.798 155 S HN 0.350 nan 8.310 nan 0.000 0.488 156 L N 1.236 122.497 121.223 0.064 0.000 2.017 156 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 156 L C 2.447 179.369 176.870 0.087 0.000 1.073 156 L CA 1.603 56.477 54.840 0.058 0.000 0.745 156 L CB -0.563 41.538 42.059 0.071 0.000 0.894 156 L HN 0.344 nan 8.230 nan 0.000 0.432 157 A N -0.351 122.559 122.820 0.151 0.000 1.873 157 A HA -0.229 4.091 4.320 -0.000 0.000 0.215 157 A C 2.150 179.834 177.584 0.167 0.000 1.186 157 A CA 1.791 53.970 52.037 0.237 0.000 0.616 157 A CB -0.903 18.238 19.000 0.236 0.000 0.823 157 A HN 0.463 nan 8.150 nan 0.000 0.442 158 L N 0.102 121.390 121.223 0.108 0.000 2.046 158 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 158 L C 1.659 178.544 176.870 0.026 0.000 1.077 158 L CA 2.494 57.372 54.840 0.064 0.000 0.747 158 L CB -0.568 41.524 42.059 0.055 0.000 0.896 158 L HN 0.345 nan 8.230 nan 0.000 0.432 159 D N -0.645 119.760 120.400 0.008 0.000 2.144 159 D HA -0.201 4.439 4.640 -0.000 0.000 0.200 159 D C 2.121 178.361 176.300 -0.099 0.000 0.978 159 D CA 1.337 55.318 54.000 -0.033 0.000 0.833 159 D CB 0.017 40.801 40.800 -0.027 0.000 0.961 159 D HN 0.381 nan 8.370 nan 0.000 0.470 160 K N -1.039 119.251 120.400 -0.183 0.000 2.202 160 K HA -0.025 4.294 4.320 -0.000 0.000 0.201 160 K C 0.908 177.158 176.600 -0.583 0.000 1.051 160 K CA 0.523 56.537 56.287 -0.455 0.000 0.977 160 K CB 0.282 32.357 32.500 -0.708 0.000 0.792 160 K HN 0.098 nan 8.250 nan 0.000 0.469 161 Y N -0.805 119.503 120.300 0.013 0.000 2.453 161 Y HA 0.341 4.891 4.550 -0.000 0.000 0.247 161 Y C 0.950 176.852 175.900 0.003 0.000 1.124 161 Y CA -0.375 57.730 58.100 0.009 0.000 1.243 161 Y CB 0.821 39.289 38.460 0.013 0.000 1.213 161 Y HN 0.001 nan 8.280 nan 0.000 0.523 162 G N -0.165 108.697 108.800 0.102 0.000 2.532 162 G HA2 0.412 4.372 3.960 -0.000 0.000 0.291 162 G HA3 0.412 4.372 3.960 -0.000 0.000 0.291 162 G C 0.750 175.667 174.900 0.028 0.000 1.349 162 G CA 0.273 45.409 45.100 0.060 0.000 1.038 162 G HN 0.148 nan 8.290 nan 0.000 0.518 163 T N -3.815 110.747 114.554 0.014 0.000 2.993 163 T HA 0.322 4.672 4.350 -0.000 0.000 0.260 163 T C 0.789 175.487 174.700 -0.004 0.000 0.939 163 T CA -0.106 61.997 62.100 0.004 0.000 0.886 163 T CB 0.004 68.876 68.868 0.006 0.000 1.209 163 T HN 0.246 nan 8.240 nan 0.000 0.518 164 M N 3.088 122.683 119.600 -0.007 0.000 2.409 164 M HA 0.511 4.991 4.480 -0.000 0.000 0.329 164 M C -2.449 173.839 176.300 -0.021 0.000 1.180 164 M CA -2.351 52.940 55.300 -0.016 0.000 1.053 164 M CB 1.415 34.002 32.600 -0.021 0.000 1.586 164 M HN -0.025 nan 8.290 nan 0.000 0.461 165 P HA 0.052 nan 4.420 nan 0.000 0.274 165 P C 0.287 177.559 177.300 -0.047 0.000 1.231 165 P CA -0.422 62.659 63.100 -0.032 0.000 0.790 165 P CB 0.960 32.641 31.700 -0.033 0.000 0.951 166 L N 2.943 124.137 121.223 -0.049 0.000 2.042 166 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 166 L C 2.244 179.032 176.870 -0.136 0.000 1.076 166 L CA 2.171 56.962 54.840 -0.082 0.000 0.749 166 L CB -1.359 40.667 42.059 -0.056 0.000 0.893 166 L HN 0.491 nan 8.230 nan 0.000 0.432 167 N N -1.090 117.543 118.700 -0.112 0.000 2.149 167 N HA -0.255 4.485 4.740 -0.000 0.000 0.188 167 N C 1.505 176.944 175.510 -0.118 0.000 1.019 167 N CA 1.411 54.382 53.050 -0.131 0.000 0.857 167 N CB -0.386 38.036 38.487 -0.108 0.000 0.997 167 N HN 0.338 nan 8.380 nan 0.000 0.426 168 K N 0.966 121.314 120.400 -0.087 0.000 2.103 168 K HA 0.007 4.327 4.320 -0.000 0.000 0.204 168 K C 2.252 178.810 176.600 -0.070 0.000 1.052 168 K CA 1.084 57.333 56.287 -0.064 0.000 0.945 168 K CB -0.593 31.881 32.500 -0.044 0.000 0.722 168 K HN 0.409 nan 8.250 nan 0.000 0.443 169 V N -2.045 117.812 119.914 -0.096 0.000 3.129 169 V HA 0.006 4.126 4.120 -0.000 0.000 0.259 169 V C 1.995 177.997 176.094 -0.153 0.000 1.116 169 V CA 0.614 62.856 62.300 -0.097 0.000 1.127 169 V CB -0.300 31.472 31.823 -0.085 0.000 0.742 169 V HN -0.139 nan 8.190 nan 0.000 0.474 170 V N -0.003 119.763 119.914 -0.248 0.000 2.878 170 V HA -0.087 4.033 4.120 -0.000 0.000 0.250 170 V C 2.558 178.602 176.094 -0.083 0.000 1.075 170 V CA 1.576 63.673 62.300 -0.339 0.000 1.096 170 V CB 0.120 31.639 31.823 -0.507 0.000 0.724 170 V HN 0.582 nan 8.190 nan 0.000 0.467 171 Q N 1.029 120.804 119.800 -0.042 0.000 2.082 171 Q HA -0.219 4.121 4.340 -0.000 0.000 0.211 171 Q C -0.206 175.877 176.000 0.139 0.000 1.002 171 Q CA 2.775 58.622 55.803 0.074 0.000 0.868 171 Q CB -1.543 27.216 28.738 0.036 0.000 0.931 171 Q HN 0.428 nan 8.270 nan 0.000 0.414 172 P HA -0.191 nan 4.420 nan 0.000 0.215 172 P C 0.759 178.106 177.300 0.078 0.000 1.157 172 P CA 2.315 65.452 63.100 0.061 0.000 0.874 172 P CB -0.381 31.337 31.700 0.030 0.000 0.790 173 A N -1.172 121.709 122.820 0.102 0.000 1.902 173 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 173 A C 2.126 179.805 177.584 0.159 0.000 1.181 173 A CA 1.500 53.617 52.037 0.134 0.000 0.623 173 A CB -1.876 17.247 19.000 0.205 0.000 0.818 173 A HN 0.161 nan 8.150 nan 0.000 0.443 174 F N 0.978 120.951 119.950 0.038 0.000 2.095 174 F HA -0.197 4.330 4.527 0.000 0.000 0.298 174 F C 2.070 177.899 175.800 0.048 0.000 1.104 174 F CA 2.272 60.295 58.000 0.038 0.000 1.232 174 F CB -0.348 38.656 39.000 0.005 0.000 0.987 174 F HN 0.151 nan 8.300 nan 0.000 0.475 175 K N 0.250 120.568 120.400 -0.137 0.000 2.057 175 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 175 K C 2.143 178.663 176.600 -0.133 0.000 1.049 175 K CA 1.788 57.943 56.287 -0.220 0.000 0.931 175 K CB -0.434 32.053 32.500 -0.023 0.000 0.714 175 K HN 0.351 nan 8.250 nan 0.000 0.440 176 L N 0.301 121.511 121.223 -0.021 0.000 2.083 176 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 176 L C 2.508 179.449 176.870 0.120 0.000 1.083 176 L CA 1.079 55.965 54.840 0.075 0.000 0.752 176 L CB -0.430 41.665 42.059 0.060 0.000 0.899 176 L HN 0.219 nan 8.230 nan 0.000 0.433 177 A N -0.281 122.560 122.820 0.036 0.000 1.897 177 A HA -0.177 4.142 4.320 -0.000 0.000 0.215 177 A C 2.439 179.975 177.584 -0.081 0.000 1.181 177 A CA 1.276 53.336 52.037 0.037 0.000 0.620 177 A CB -0.424 18.612 19.000 0.060 0.000 0.821 177 A HN 0.301 nan 8.150 nan 0.000 0.443 178 R N -0.308 120.035 120.500 -0.262 0.000 2.057 178 R HA -0.118 4.221 4.340 -0.000 0.000 0.229 178 R C 0.771 176.969 176.300 -0.170 0.000 1.136 178 R CA 1.771 57.691 56.100 -0.300 0.000 0.952 178 R CB -0.213 29.710 30.300 -0.629 0.000 0.848 178 R HN 0.392 nan 8.270 nan 0.000 0.430 179 D N -0.467 119.847 120.400 -0.144 0.000 2.349 179 D HA 0.138 4.778 4.640 -0.000 0.000 0.215 179 D C 0.752 177.031 176.300 -0.034 0.000 1.016 179 D CA 0.988 54.943 54.000 -0.074 0.000 0.870 179 D CB 0.441 41.207 40.800 -0.056 0.000 0.917 179 D HN 0.498 nan 8.370 nan 0.000 0.524 180 G N 1.031 109.828 108.800 -0.006 0.000 2.860 180 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.553 180 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.553 180 G C -0.417 174.546 174.900 0.106 0.000 1.439 180 G CA -0.310 44.782 45.100 -0.014 0.000 0.879 180 G HN 0.290 nan 8.290 nan 0.000 0.545 181 F N -2.299 117.649 119.950 -0.003 0.000 2.685 181 F HA 0.817 5.344 4.527 -0.000 0.000 0.315 181 F C -0.112 175.697 175.800 0.014 0.000 1.126 181 F CA -2.001 56.004 58.000 0.008 0.000 0.950 181 F CB 0.981 39.994 39.000 0.021 0.000 1.360 181 F HN 0.566 nan 8.300 nan 0.000 0.469 182 I N 2.721 123.414 120.570 0.205 0.000 2.441 182 I HA 0.260 4.430 4.170 -0.000 0.000 0.287 182 I C -0.277 175.946 176.117 0.175 0.000 1.049 182 I CA -1.027 60.328 61.300 0.093 0.000 1.381 182 I CB 1.282 39.337 38.000 0.092 0.000 1.409 182 I HN 0.376 nan 8.210 nan 0.000 0.523 183 V N 7.164 127.100 119.914 0.036 0.000 2.479 183 V HA -0.023 4.097 4.120 -0.000 0.000 0.281 183 V C 0.461 176.622 176.094 0.112 0.000 1.031 183 V CA -0.316 62.040 62.300 0.094 0.000 1.038 183 V CB 0.023 31.851 31.823 0.008 0.000 0.981 183 V HN 0.876 nan 8.190 nan 0.000 0.478 184 N N 3.604 122.397 118.700 0.155 0.000 2.495 184 N HA 0.207 4.947 4.740 -0.000 0.000 0.294 184 N C 0.644 176.205 175.510 0.085 0.000 1.276 184 N CA -0.642 52.472 53.050 0.108 0.000 0.973 184 N CB 0.380 38.932 38.487 0.110 0.000 1.143 184 N HN 0.444 nan 8.380 nan 0.000 0.589 185 D N -0.641 119.799 120.400 0.067 0.000 2.097 185 D HA -0.146 4.493 4.640 -0.000 0.000 0.195 185 D C 1.691 178.035 176.300 0.072 0.000 0.989 185 D CA 1.901 55.935 54.000 0.057 0.000 0.827 185 D CB -0.315 40.512 40.800 0.046 0.000 0.966 185 D HN 0.659 nan 8.370 nan 0.000 0.456 186 A N 1.390 124.262 122.820 0.087 0.000 1.865 186 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 186 A C 2.191 179.851 177.584 0.127 0.000 1.191 186 A CA 1.185 53.287 52.037 0.108 0.000 0.623 186 A CB -0.798 18.272 19.000 0.117 0.000 0.826 186 A HN 0.209 nan 8.150 nan 0.000 0.444 187 L N -0.368 120.942 121.223 0.144 0.000 2.027 187 L HA -0.005 4.335 4.340 -0.000 0.000 0.206 187 L C 2.707 179.639 176.870 0.104 0.000 1.074 187 L CA 2.200 57.128 54.840 0.146 0.000 0.745 187 L CB -0.981 41.205 42.059 0.212 0.000 0.898 187 L HN 0.359 nan 8.230 nan 0.000 0.433 188 A N -0.662 122.207 122.820 0.081 0.000 1.908 188 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 188 A C 1.989 179.592 177.584 0.031 0.000 1.181 188 A CA 2.017 54.075 52.037 0.035 0.000 0.627 188 A CB -0.875 18.137 19.000 0.019 0.000 0.818 188 A HN 0.543 nan 8.150 nan 0.000 0.445 189 D N 0.188 120.621 120.400 0.054 0.000 2.117 189 D HA -0.110 4.530 4.640 -0.000 0.000 0.198 189 D C 1.382 177.738 176.300 0.094 0.000 0.982 189 D CA 1.360 55.394 54.000 0.056 0.000 0.828 189 D CB -0.456 40.385 40.800 0.068 0.000 0.967 189 D HN 0.390 nan 8.370 nan 0.000 0.464 190 D N 0.297 120.784 120.400 0.146 0.000 2.144 190 D HA -0.072 4.568 4.640 -0.000 0.000 0.199 190 D C 2.380 178.800 176.300 0.200 0.000 0.984 190 D CA 0.282 54.430 54.000 0.247 0.000 0.834 190 D CB -0.192 40.707 40.800 0.166 0.000 0.955 190 D HN 0.221 nan 8.370 nan 0.000 0.465 191 L N 0.608 121.902 121.223 0.119 0.000 2.046 191 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 191 L C 2.522 179.481 176.870 0.149 0.000 1.077 191 L CA 1.179 56.097 54.840 0.130 0.000 0.747 191 L CB -0.244 41.847 42.059 0.053 0.000 0.896 191 L HN -0.015 nan 8.230 nan 0.000 0.432 192 K N -0.747 119.681 120.400 0.047 0.000 2.062 192 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 192 K C 1.991 178.608 176.600 0.028 0.000 1.051 192 K CA 1.672 57.973 56.287 0.024 0.000 0.941 192 K CB 0.069 32.550 32.500 -0.032 0.000 0.719 192 K HN 0.180 nan 8.250 nan 0.000 0.440 193 T N -0.278 114.251 114.554 -0.041 0.000 2.770 193 T HA -0.063 4.287 4.350 -0.000 0.000 0.258 193 T C 1.464 175.969 174.700 -0.324 0.000 1.039 193 T CA 1.319 63.273 62.100 -0.243 0.000 1.143 193 T CB -0.254 68.344 68.868 -0.451 0.000 0.866 193 T HN 0.264 nan 8.240 nan 0.000 0.428 194 Y N 0.537 120.861 120.300 0.040 0.000 2.441 194 Y HA 0.340 4.890 4.550 0.000 0.000 0.288 194 Y C 2.766 178.688 175.900 0.036 0.000 1.118 194 Y CA 0.084 58.197 58.100 0.022 0.000 1.215 194 Y CB -0.714 37.741 38.460 -0.009 0.000 1.118 194 Y HN 0.227 nan 8.280 nan 0.000 0.547 195 G N -0.413 108.528 108.800 0.236 0.000 2.422 195 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 195 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 195 G C 1.767 176.791 174.900 0.207 0.000 1.146 195 G CA 1.306 46.538 45.100 0.220 0.000 0.769 195 G HN 0.326 nan 8.290 nan 0.000 0.547 196 S N 0.509 116.418 115.700 0.348 0.000 2.440 196 S HA -0.094 4.376 4.470 -0.000 0.000 0.238 196 S C 2.039 176.656 174.600 0.028 0.000 1.010 196 S CA 1.295 59.662 58.200 0.278 0.000 0.972 196 S CB -0.149 63.229 63.200 0.298 0.000 0.774 196 S HN 0.626 nan 8.310 nan 0.000 0.501 197 E N 0.166 120.380 120.200 0.023 0.000 2.285 197 E HA -0.036 4.314 4.350 -0.000 0.000 0.194 197 E C 1.789 178.361 176.600 -0.046 0.000 0.997 197 E CA 1.168 57.561 56.400 -0.011 0.000 0.845 197 E CB 0.185 29.895 29.700 0.016 0.000 0.782 197 E HN 0.602 nan 8.360 nan 0.000 0.491 198 V N -3.633 116.242 119.914 -0.067 0.000 3.161 198 V HA 0.069 4.189 4.120 -0.000 0.000 0.228 198 V C 1.900 177.941 176.094 -0.089 0.000 1.415 198 V CA -0.220 62.049 62.300 -0.052 0.000 1.285 198 V CB -0.451 31.380 31.823 0.013 0.000 1.100 198 V HN 0.050 nan 8.190 nan 0.000 0.478 199 L N 1.597 122.716 121.223 -0.172 0.000 2.013 199 L HA -0.036 4.304 4.340 -0.000 0.000 0.212 199 L C 0.069 176.703 176.870 -0.393 0.000 1.073 199 L CA 2.565 57.280 54.840 -0.209 0.000 0.753 199 L CB -1.811 40.128 42.059 -0.199 0.000 0.890 199 L HN 0.376 nan 8.230 nan 0.000 0.432 200 P HA -0.113 nan 4.420 nan 0.000 0.234 200 P C 0.483 177.537 177.300 -0.410 0.000 1.167 200 P CA 1.184 63.820 63.100 -0.773 0.000 0.763 200 P CB -0.285 30.763 31.700 -1.087 0.000 0.835 201 N N -1.400 117.072 118.700 -0.381 0.000 2.467 201 N HA -0.041 4.699 4.740 -0.000 0.000 0.184 201 N C -0.203 174.913 175.510 -0.657 0.000 1.106 201 N CA 0.112 52.879 53.050 -0.471 0.000 0.892 201 N CB -0.201 37.974 38.487 -0.519 0.000 0.969 201 N HN 0.406 nan 8.380 nan 0.000 0.454 202 H N -0.855 118.162 119.070 -0.089 0.000 2.609 202 H HA 0.146 4.702 4.556 -0.000 0.000 0.344 202 H C 0.242 175.553 175.328 -0.028 0.000 1.040 202 H CA -0.628 55.401 56.048 -0.033 0.000 1.216 202 H CB 2.063 31.817 29.762 -0.013 0.000 1.529 202 H HN -0.163 nan 8.280 nan 0.000 0.519 203 E N 2.198 122.442 120.200 0.074 0.000 2.070 203 E HA -0.246 4.104 4.350 -0.000 0.000 0.197 203 E C 1.426 178.062 176.600 0.060 0.000 1.004 203 E CA 2.302 58.728 56.400 0.044 0.000 0.805 203 E CB 0.100 29.822 29.700 0.036 0.000 0.744 203 E HN 0.794 nan 8.360 nan 0.000 0.451 204 N N -0.614 118.134 118.700 0.081 0.000 2.142 204 N HA -0.094 4.646 4.740 -0.000 0.000 0.186 204 N C 1.728 177.288 175.510 0.083 0.000 1.023 204 N CA 1.691 54.781 53.050 0.065 0.000 0.852 204 N CB -0.778 37.744 38.487 0.059 0.000 0.998 204 N HN -0.026 nan 8.380 nan 0.000 0.424 205 S N 0.357 116.138 115.700 0.135 0.000 2.368 205 S HA -0.090 4.379 4.470 -0.000 0.000 0.224 205 S C 1.668 176.404 174.600 0.227 0.000 1.029 205 S CA 0.897 59.233 58.200 0.227 0.000 0.988 205 S CB -0.277 63.055 63.200 0.220 0.000 0.838 205 S HN 0.437 nan 8.310 nan 0.000 0.462 206 K N 1.528 121.993 120.400 0.108 0.000 2.063 206 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 206 K C 2.210 178.896 176.600 0.143 0.000 1.048 206 K CA 1.209 57.547 56.287 0.084 0.000 0.928 206 K CB -0.364 32.118 32.500 -0.030 0.000 0.713 206 K HN 0.309 nan 8.250 nan 0.000 0.442 207 A N 0.969 123.832 122.820 0.073 0.000 1.978 207 A HA -0.139 4.180 4.320 -0.000 0.000 0.220 207 A C 1.971 179.543 177.584 -0.020 0.000 1.170 207 A CA 1.431 53.488 52.037 0.034 0.000 0.636 207 A CB -0.369 18.637 19.000 0.011 0.000 0.810 207 A HN 0.353 nan 8.150 nan 0.000 0.448 208 I N -2.965 117.549 120.570 -0.094 0.000 2.556 208 I HA -0.007 4.163 4.170 -0.000 0.000 0.251 208 I C 1.678 177.543 176.117 -0.420 0.000 1.105 208 I CA 0.793 61.878 61.300 -0.359 0.000 1.436 208 I CB -0.092 37.499 38.000 -0.682 0.000 1.139 208 I HN 0.263 nan 8.210 nan 0.000 0.438 209 F N -0.890 119.172 119.950 0.185 0.000 2.714 209 F HA 0.128 4.655 4.527 -0.000 0.000 0.294 209 F C 0.968 176.999 175.800 0.385 0.000 1.120 209 F CA -0.130 58.029 58.000 0.264 0.000 1.398 209 F CB -0.028 39.173 39.000 0.335 0.000 1.120 209 F HN -0.005 nan 8.300 nan 0.000 0.589 210 W N 1.337 122.710 121.300 0.122 0.000 2.578 210 W HA 0.469 5.129 4.660 0.000 0.000 0.346 210 W C -0.293 176.239 176.519 0.023 0.000 1.075 210 W CA -0.985 56.404 57.345 0.074 0.000 1.233 210 W CB 1.627 31.128 29.460 0.069 0.000 1.358 210 W HN -0.414 nan 8.180 nan 0.000 0.574 211 K N 2.605 123.029 120.400 0.039 0.000 2.637 211 K HA 0.098 4.418 4.320 -0.000 0.000 0.248 211 K C -0.557 176.040 176.600 -0.004 0.000 0.971 211 K CA -0.191 56.103 56.287 0.012 0.000 0.858 211 K CB 0.925 33.397 32.500 -0.047 0.000 1.170 211 K HN 0.644 nan 8.250 nan 0.000 0.443 212 E N 2.362 122.590 120.200 0.046 0.000 2.416 212 E HA -0.247 4.103 4.350 -0.000 0.000 0.249 212 E C 0.439 177.078 176.600 0.064 0.000 1.124 212 E CA 0.684 57.108 56.400 0.039 0.000 0.732 212 E CB -1.469 28.233 29.700 0.003 0.000 1.286 212 E HN 1.175 nan 8.360 nan 0.000 0.394 213 G N -0.625 108.272 108.800 0.161 0.000 2.184 213 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.264 213 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.264 213 G C -0.002 175.033 174.900 0.225 0.000 0.975 213 G CA 0.844 46.090 45.100 0.243 0.000 0.642 213 G HN 0.282 nan 8.290 nan 0.000 0.536 214 E N 0.378 120.528 120.200 -0.083 0.000 2.343 214 E HA 0.451 4.801 4.350 -0.000 0.000 0.270 214 E C -2.628 173.289 176.600 -1.138 0.000 0.895 214 E CA -1.813 54.326 56.400 -0.435 0.000 0.767 214 E CB 2.703 32.262 29.700 -0.235 0.000 1.248 214 E HN 0.153 nan 8.360 nan 0.000 0.440 215 P HA 0.107 nan 4.420 nan 0.000 0.272 215 P C 0.179 177.085 177.300 -0.657 0.000 1.230 215 P CA -0.219 61.878 63.100 -1.672 0.000 0.788 215 P CB 0.819 31.652 31.700 -1.445 0.000 0.949 216 L N 1.709 122.708 121.223 -0.373 0.000 2.506 216 L HA 0.066 4.406 4.340 -0.000 0.000 0.281 216 L C 1.336 178.109 176.870 -0.161 0.000 1.228 216 L CA 0.404 55.133 54.840 -0.185 0.000 0.850 216 L CB -0.205 41.807 42.059 -0.078 0.000 1.110 216 L HN 0.297 nan 8.230 nan 0.000 0.496 217 K N 2.412 122.740 120.400 -0.120 0.000 2.211 217 K HA 0.325 4.645 4.320 -0.000 0.000 0.237 217 K C -0.553 176.019 176.600 -0.046 0.000 1.002 217 K CA -1.052 55.184 56.287 -0.086 0.000 0.885 217 K CB 1.062 33.512 32.500 -0.084 0.000 1.136 217 K HN 0.343 nan 8.250 nan 0.000 0.448 218 K N 0.179 120.564 120.400 -0.025 0.000 2.484 218 K HA 0.057 4.377 4.320 -0.000 0.000 0.280 218 K C 0.673 177.268 176.600 -0.009 0.000 1.013 218 K CA 1.433 57.719 56.287 -0.001 0.000 1.029 218 K CB -0.142 32.363 32.500 0.008 0.000 0.902 218 K HN 0.766 nan 8.250 nan 0.000 0.481 219 G N 3.214 112.013 108.800 -0.001 0.000 2.279 219 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.223 219 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.223 219 G C -0.250 174.635 174.900 -0.025 0.000 1.015 219 G CA 0.091 45.187 45.100 -0.008 0.000 0.621 219 G HN 0.698 nan 8.290 nan 0.000 0.506 220 D N 1.143 121.517 120.400 -0.043 0.000 2.360 220 D HA 0.535 5.175 4.640 -0.000 0.000 0.242 220 D C 0.424 176.666 176.300 -0.095 0.000 1.184 220 D CA 0.683 54.643 54.000 -0.067 0.000 0.930 220 D CB 0.771 41.523 40.800 -0.080 0.000 1.161 220 D HN 0.100 nan 8.370 nan 0.000 0.447 221 T N 1.228 115.711 114.554 -0.118 0.000 2.771 221 T HA 0.362 4.712 4.350 -0.000 0.000 0.281 221 T C -0.356 174.192 174.700 -0.253 0.000 0.982 221 T CA -0.595 61.400 62.100 -0.174 0.000 0.978 221 T CB 0.741 69.537 68.868 -0.119 0.000 0.930 221 T HN 0.086 nan 8.240 nan 0.000 0.447 222 L N 6.100 127.045 121.223 -0.465 0.000 2.262 222 L HA 0.598 4.938 4.340 -0.000 0.000 0.288 222 L C -0.887 175.731 176.870 -0.419 0.000 1.035 222 L CA -0.344 54.208 54.840 -0.481 0.000 0.820 222 L CB 0.491 42.151 42.059 -0.664 0.000 1.204 222 L HN 0.394 nan 8.230 nan 0.000 0.424 223 V N 5.500 125.269 119.914 -0.242 0.000 2.435 223 V HA 0.457 4.577 4.120 -0.000 0.000 0.290 223 V C -0.161 175.849 176.094 -0.140 0.000 1.030 223 V CA -0.505 61.702 62.300 -0.156 0.000 0.881 223 V CB 1.520 33.273 31.823 -0.117 0.000 0.983 223 V HN 0.742 nan 8.190 nan 0.000 0.445 224 Q N 2.875 122.626 119.800 -0.081 0.000 2.907 224 Q HA 0.457 4.797 4.340 -0.000 0.000 0.262 224 Q C 0.974 176.955 176.000 -0.032 0.000 0.997 224 Q CA -0.250 55.513 55.803 -0.067 0.000 0.797 224 Q CB 1.516 30.251 28.738 -0.005 0.000 1.228 224 Q HN 0.924 nan 8.270 nan 0.000 0.466 225 A N 1.693 124.486 122.820 -0.045 0.000 1.908 225 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 225 A C 1.651 179.244 177.584 0.015 0.000 1.181 225 A CA 1.737 53.762 52.037 -0.020 0.000 0.627 225 A CB -0.138 18.847 19.000 -0.024 0.000 0.818 225 A HN 0.474 nan 8.150 nan 0.000 0.445 226 N N -0.330 118.375 118.700 0.008 0.000 2.084 226 N HA -0.123 4.617 4.740 -0.000 0.000 0.190 226 N C 1.551 177.098 175.510 0.062 0.000 1.030 226 N CA 1.423 54.490 53.050 0.029 0.000 0.849 226 N CB -0.592 37.903 38.487 0.013 0.000 1.012 226 N HN 0.398 nan 8.380 nan 0.000 0.423 227 L N 1.002 122.265 121.223 0.067 0.000 2.083 227 L HA -0.005 4.335 4.340 -0.000 0.000 0.209 227 L C 1.992 178.953 176.870 0.151 0.000 1.083 227 L CA 1.424 56.332 54.840 0.113 0.000 0.752 227 L CB -0.944 41.189 42.059 0.123 0.000 0.899 227 L HN 0.139 nan 8.230 nan 0.000 0.433 228 A N -0.498 122.399 122.820 0.128 0.000 1.902 228 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 228 A C 2.346 180.123 177.584 0.322 0.000 1.181 228 A CA 1.977 54.131 52.037 0.194 0.000 0.623 228 A CB -0.631 18.374 19.000 0.008 0.000 0.818 228 A HN 0.425 nan 8.150 nan 0.000 0.443 229 K N 0.505 121.025 120.400 0.201 0.000 2.032 229 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 229 K C 2.160 178.841 176.600 0.135 0.000 1.048 229 K CA 2.141 58.527 56.287 0.166 0.000 0.927 229 K CB -0.697 31.862 32.500 0.098 0.000 0.712 229 K HN 0.351 nan 8.250 nan 0.000 0.441 230 S N 0.690 116.467 115.700 0.129 0.000 2.359 230 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 230 S C 1.866 176.556 174.600 0.150 0.000 1.035 230 S CA 1.595 59.869 58.200 0.125 0.000 1.018 230 S CB -0.405 62.876 63.200 0.135 0.000 0.876 230 S HN 0.276 nan 8.310 nan 0.000 0.448 231 L N 1.168 122.510 121.223 0.198 0.000 2.046 231 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 231 L C 2.713 179.612 176.870 0.048 0.000 1.077 231 L CA 1.485 56.438 54.840 0.188 0.000 0.747 231 L CB -0.527 41.707 42.059 0.291 0.000 0.896 231 L HN 0.403 nan 8.230 nan 0.000 0.432 232 E N 0.029 120.247 120.200 0.029 0.000 2.085 232 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 232 E C 2.292 178.808 176.600 -0.140 0.000 0.994 232 E CA 1.308 57.557 56.400 -0.252 0.000 0.801 232 E CB 0.103 29.689 29.700 -0.190 0.000 0.743 232 E HN 0.317 nan 8.360 nan 0.000 0.453 233 M N 0.246 119.827 119.600 -0.031 0.000 2.254 233 M HA -0.045 4.435 4.480 -0.000 0.000 0.265 233 M C 2.309 178.610 176.300 0.002 0.000 1.066 233 M CA 0.973 56.266 55.300 -0.012 0.000 1.123 233 M CB -0.572 32.038 32.600 0.018 0.000 1.388 233 M HN 0.239 nan 8.290 nan 0.000 0.425 234 I N 0.186 120.774 120.570 0.029 0.000 2.252 234 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 234 I C 2.545 178.651 176.117 -0.019 0.000 1.102 234 I CA 1.087 62.419 61.300 0.053 0.000 1.385 234 I CB -0.480 37.591 38.000 0.120 0.000 1.064 234 I HN 0.195 nan 8.210 nan 0.000 0.414 235 A N 0.424 123.190 122.820 -0.090 0.000 1.933 235 A HA -0.202 4.117 4.320 -0.000 0.000 0.218 235 A C 2.198 179.722 177.584 -0.099 0.000 1.175 235 A CA 1.618 53.574 52.037 -0.136 0.000 0.628 235 A CB -0.441 18.432 19.000 -0.212 0.000 0.814 235 A HN 0.451 nan 8.150 nan 0.000 0.444 236 E N -0.526 119.620 120.200 -0.090 0.000 2.086 236 E HA -0.078 4.272 4.350 -0.000 0.000 0.190 236 E C 1.438 178.020 176.600 -0.030 0.000 0.975 236 E CA 1.151 57.512 56.400 -0.066 0.000 0.813 236 E CB -0.169 29.489 29.700 -0.071 0.000 0.768 236 E HN 0.752 nan 8.360 nan 0.000 0.457 237 N N -0.137 118.557 118.700 -0.011 0.000 2.373 237 N HA 0.105 4.845 4.740 -0.000 0.000 0.181 237 N C 0.445 175.975 175.510 0.034 0.000 1.082 237 N CA 0.147 53.205 53.050 0.014 0.000 0.885 237 N CB 1.039 39.541 38.487 0.025 0.000 0.977 237 N HN 0.099 nan 8.380 nan 0.000 0.462 238 G N 1.350 110.171 108.800 0.035 0.000 2.728 238 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.294 238 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.294 238 G C -2.087 172.883 174.900 0.116 0.000 1.342 238 G CA -0.518 44.618 45.100 0.060 0.000 0.866 238 G HN -0.034 nan 8.290 nan 0.000 0.534 239 P HA -0.027 nan 4.420 nan 0.000 0.221 239 P C 0.892 178.388 177.300 0.328 0.000 1.145 239 P CA 1.669 64.924 63.100 0.258 0.000 0.795 239 P CB -0.017 31.840 31.700 0.261 0.000 0.775 240 D N 0.311 120.848 120.400 0.229 0.000 2.265 240 D HA -0.170 4.470 4.640 -0.000 0.000 0.208 240 D C 1.926 178.331 176.300 0.175 0.000 0.977 240 D CA 0.999 55.129 54.000 0.215 0.000 0.871 240 D CB -0.318 40.561 40.800 0.132 0.000 0.925 240 D HN 0.272 nan 8.370 nan 0.000 0.485 241 E N 0.021 120.310 120.200 0.147 0.000 2.077 241 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 241 E C 1.789 178.432 176.600 0.071 0.000 0.989 241 E CA 0.827 57.283 56.400 0.094 0.000 0.800 241 E CB -0.481 29.272 29.700 0.089 0.000 0.746 241 E HN 0.334 nan 8.360 nan 0.000 0.452 242 F N -0.982 118.935 119.950 -0.055 0.000 2.234 242 F HA -0.035 4.492 4.527 -0.000 0.000 0.296 242 F C 1.247 176.817 175.800 -0.382 0.000 1.089 242 F CA 1.093 58.941 58.000 -0.254 0.000 1.343 242 F CB 0.012 38.765 39.000 -0.412 0.000 1.040 242 F HN 0.048 nan 8.300 nan 0.000 0.498 243 Y N -0.379 120.071 120.300 0.249 0.000 2.510 243 Y HA 0.187 4.737 4.550 -0.000 0.000 0.273 243 Y C 1.656 177.598 175.900 0.069 0.000 1.119 243 Y CA 0.501 58.704 58.100 0.172 0.000 1.286 243 Y CB 0.065 38.669 38.460 0.242 0.000 1.061 243 Y HN -0.047 nan 8.280 nan 0.000 0.542 244 K N -1.609 118.880 120.400 0.148 0.000 2.574 244 K HA 0.248 4.568 4.320 -0.000 0.000 0.215 244 K C 1.193 177.813 176.600 0.033 0.000 1.485 244 K CA 0.358 56.699 56.287 0.090 0.000 1.006 244 K CB 0.874 33.438 32.500 0.107 0.000 1.254 244 K HN 0.161 nan 8.250 nan 0.000 0.580 245 G N 0.369 109.179 108.800 0.016 0.000 2.630 245 G HA2 0.029 3.989 3.960 -0.000 0.000 0.223 245 G HA3 0.029 3.989 3.960 -0.000 0.000 0.223 245 G C 0.859 175.735 174.900 -0.040 0.000 1.434 245 G CA -0.059 45.039 45.100 -0.004 0.000 1.057 245 G HN -0.106 nan 8.290 nan 0.000 0.570 246 T N 0.734 115.268 114.554 -0.033 0.000 2.665 246 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 246 T C 2.441 177.089 174.700 -0.087 0.000 1.035 246 T CA 1.264 63.337 62.100 -0.044 0.000 1.151 246 T CB -0.210 68.644 68.868 -0.024 0.000 0.862 246 T HN 0.219 nan 8.240 nan 0.000 0.438 247 I N 1.672 122.169 120.570 -0.121 0.000 2.163 247 I HA -0.171 3.999 4.170 -0.000 0.000 0.243 247 I C 2.948 178.863 176.117 -0.337 0.000 1.085 247 I CA 1.358 62.520 61.300 -0.229 0.000 1.347 247 I CB -1.731 36.090 38.000 -0.299 0.000 1.044 247 I HN 0.205 nan 8.210 nan 0.000 0.408 248 A N 0.352 122.975 122.820 -0.329 0.000 1.908 248 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 248 A C 2.306 179.788 177.584 -0.170 0.000 1.181 248 A CA 2.140 54.002 52.037 -0.292 0.000 0.627 248 A CB -0.638 18.266 19.000 -0.159 0.000 0.818 248 A HN 0.416 nan 8.150 nan 0.000 0.445 249 E N 0.020 120.152 120.200 -0.113 0.000 2.106 249 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 249 E C 2.147 178.703 176.600 -0.075 0.000 0.984 249 E CA 1.645 58.002 56.400 -0.071 0.000 0.806 249 E CB -0.319 29.353 29.700 -0.047 0.000 0.750 249 E HN 0.734 nan 8.360 nan 0.000 0.458 250 Q N -0.301 119.443 119.800 -0.094 0.000 2.124 250 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 250 Q C 2.291 178.242 176.000 -0.082 0.000 0.977 250 Q CA 1.437 57.194 55.803 -0.076 0.000 0.850 250 Q CB -0.096 28.596 28.738 -0.077 0.000 0.901 250 Q HN 0.390 nan 8.270 nan 0.000 0.429 251 I N 0.537 121.026 120.570 -0.134 0.000 2.163 251 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 251 I C 2.442 178.522 176.117 -0.061 0.000 1.081 251 I CA 0.926 62.155 61.300 -0.118 0.000 1.353 251 I CB -0.413 37.462 38.000 -0.209 0.000 1.054 251 I HN 0.151 nan 8.210 nan 0.000 0.407 252 A N 0.020 122.801 122.820 -0.065 0.000 1.940 252 A HA -0.299 4.021 4.320 -0.000 0.000 0.219 252 A C 2.314 179.885 177.584 -0.021 0.000 1.176 252 A CA 1.971 53.989 52.037 -0.031 0.000 0.631 252 A CB -0.736 18.247 19.000 -0.029 0.000 0.814 252 A HN 0.541 nan 8.150 nan 0.000 0.446 253 Q N -0.732 119.052 119.800 -0.027 0.000 2.079 253 Q HA -0.237 4.103 4.340 -0.000 0.000 0.200 253 Q C 2.037 178.027 176.000 -0.016 0.000 0.974 253 Q CA 1.826 57.616 55.803 -0.021 0.000 0.840 253 Q CB -0.153 28.572 28.738 -0.022 0.000 0.898 253 Q HN 0.662 nan 8.270 nan 0.000 0.430 254 E N 0.085 120.284 120.200 -0.002 0.000 2.085 254 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 254 E C 1.876 178.491 176.600 0.025 0.000 0.994 254 E CA 1.693 58.112 56.400 0.031 0.000 0.801 254 E CB -0.082 29.655 29.700 0.063 0.000 0.743 254 E HN 0.327 nan 8.360 nan 0.000 0.453 255 M N 0.174 119.798 119.600 0.040 0.000 2.077 255 M HA -0.146 4.333 4.480 -0.000 0.000 0.261 255 M C 2.463 178.737 176.300 -0.043 0.000 1.070 255 M CA 1.869 57.189 55.300 0.033 0.000 1.125 255 M CB -1.229 31.397 32.600 0.043 0.000 1.339 255 M HN 0.325 nan 8.290 nan 0.000 0.409 256 Q N 0.635 120.416 119.800 -0.033 0.000 2.061 256 Q HA -0.237 4.103 4.340 -0.000 0.000 0.204 256 Q C 2.082 178.043 176.000 -0.064 0.000 0.984 256 Q CA 2.005 57.784 55.803 -0.040 0.000 0.846 256 Q CB -0.121 28.601 28.738 -0.026 0.000 0.902 256 Q HN 0.421 nan 8.270 nan 0.000 0.421 257 K N -0.329 120.028 120.400 -0.071 0.000 2.211 257 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 257 K C 0.568 177.086 176.600 -0.138 0.000 1.047 257 K CA 1.366 57.605 56.287 -0.081 0.000 0.935 257 K CB 0.151 32.614 32.500 -0.060 0.000 0.728 257 K HN 0.270 nan 8.250 nan 0.000 0.452 258 N N -0.462 118.089 118.700 -0.247 0.000 2.282 258 N HA 0.075 4.815 4.740 -0.000 0.000 0.240 258 N C -0.046 175.287 175.510 -0.295 0.000 1.182 258 N CA 0.681 53.490 53.050 -0.402 0.000 0.874 258 N CB 1.496 39.362 38.487 -1.034 0.000 1.126 258 N HN 0.365 nan 8.380 nan 0.000 0.516 259 G N 0.572 109.283 108.800 -0.148 0.000 2.160 259 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.251 259 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.251 259 G C 0.536 175.421 174.900 -0.024 0.000 1.008 259 G CA 0.247 45.306 45.100 -0.069 0.000 0.724 259 G HN 0.526 nan 8.290 nan 0.000 0.514 260 G N -1.490 107.298 108.800 -0.019 0.000 2.588 260 G HA2 0.615 4.575 3.960 -0.000 0.000 0.281 260 G HA3 0.615 4.575 3.960 -0.000 0.000 0.281 260 G C 1.011 175.933 174.900 0.036 0.000 1.236 260 G CA -0.330 44.812 45.100 0.070 0.000 0.969 260 G HN 0.537 nan 8.290 nan 0.000 0.504 261 L N -0.568 120.683 121.223 0.046 0.000 2.642 261 L HA 0.324 4.664 4.340 -0.000 0.000 0.233 261 L C 0.720 177.609 176.870 0.033 0.000 1.077 261 L CA -0.100 54.756 54.840 0.027 0.000 0.879 261 L CB -0.005 42.064 42.059 0.016 0.000 1.151 261 L HN 0.298 nan 8.230 nan 0.000 0.495 262 I N 1.911 122.506 120.570 0.043 0.000 2.662 262 I HA -0.024 4.146 4.170 -0.000 0.000 0.285 262 I C 0.809 176.943 176.117 0.030 0.000 1.161 262 I CA 0.454 61.780 61.300 0.043 0.000 1.415 262 I CB 0.410 38.434 38.000 0.040 0.000 1.385 262 I HN 0.224 nan 8.210 nan 0.000 0.552 263 T N 2.249 116.825 114.554 0.037 0.000 2.927 263 T HA 0.371 4.721 4.350 -0.000 0.000 0.286 263 T C 0.802 175.523 174.700 0.034 0.000 1.040 263 T CA -1.002 61.114 62.100 0.027 0.000 1.010 263 T CB 1.939 70.824 68.868 0.029 0.000 1.177 263 T HN 0.473 nan 8.240 nan 0.000 0.546 264 K N 0.049 120.463 120.400 0.025 0.000 2.148 264 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 264 K C 2.116 178.754 176.600 0.062 0.000 1.050 264 K CA 1.315 57.621 56.287 0.032 0.000 0.942 264 K CB -0.119 32.393 32.500 0.019 0.000 0.724 264 K HN 0.782 nan 8.250 nan 0.000 0.446 265 E N 1.142 121.375 120.200 0.056 0.000 2.110 265 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 265 E C 1.360 178.014 176.600 0.091 0.000 0.988 265 E CA 1.248 57.686 56.400 0.064 0.000 0.804 265 E CB 0.204 29.933 29.700 0.049 0.000 0.745 265 E HN 0.181 nan 8.360 nan 0.000 0.458 266 D N 0.369 120.827 120.400 0.097 0.000 2.097 266 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 266 D C 2.131 178.553 176.300 0.203 0.000 0.989 266 D CA 0.876 54.957 54.000 0.134 0.000 0.827 266 D CB -0.172 40.700 40.800 0.120 0.000 0.966 266 D HN 0.256 nan 8.370 nan 0.000 0.456 267 L N 0.762 122.106 121.223 0.201 0.000 2.046 267 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 267 L C 2.506 179.596 176.870 0.366 0.000 1.077 267 L CA 1.159 56.195 54.840 0.327 0.000 0.747 267 L CB -0.333 41.840 42.059 0.190 0.000 0.896 267 L HN -0.036 nan 8.230 nan 0.000 0.432 268 A N -0.418 122.533 122.820 0.218 0.000 2.014 268 A HA 0.012 4.331 4.320 -0.000 0.000 0.218 268 A C 2.350 180.005 177.584 0.118 0.000 1.163 268 A CA 1.380 53.517 52.037 0.166 0.000 0.652 268 A CB -0.455 18.610 19.000 0.109 0.000 0.808 268 A HN 0.382 nan 8.150 nan 0.000 0.449 269 A N -1.981 120.914 122.820 0.124 0.000 2.178 269 A HA 0.288 4.608 4.320 -0.000 0.000 0.211 269 A C 0.807 178.417 177.584 0.043 0.000 1.157 269 A CA -0.193 51.888 52.037 0.073 0.000 0.780 269 A CB -0.429 18.617 19.000 0.076 0.000 0.828 269 A HN 0.508 nan 8.150 nan 0.000 0.476 270 Y N 1.937 122.251 120.300 0.023 0.000 2.578 270 Y HA 0.323 4.873 4.550 -0.000 0.000 0.339 270 Y C 0.396 176.216 175.900 -0.134 0.000 1.231 270 Y CA 0.561 58.647 58.100 -0.023 0.000 1.461 270 Y CB 0.488 38.961 38.460 0.022 0.000 1.323 270 Y HN 0.376 nan 8.280 nan 0.000 0.590 271 K N 3.713 123.384 120.400 -1.215 0.000 2.557 271 K HA 0.787 5.107 4.320 -0.000 0.000 0.257 271 K C -1.975 174.206 176.600 -0.698 0.000 0.933 271 K CA -0.900 54.981 56.287 -0.676 0.000 0.820 271 K CB 1.165 33.467 32.500 -0.330 0.000 1.330 271 K HN 0.666 nan 8.250 nan 0.000 0.432 272 A N 2.233 124.919 122.820 -0.224 0.000 2.354 272 A HA 0.556 4.876 4.320 -0.000 0.000 0.269 272 A C -0.454 177.122 177.584 -0.013 0.000 1.109 272 A CA -0.620 51.426 52.037 0.015 0.000 0.800 272 A CB 0.754 19.842 19.000 0.146 0.000 1.045 272 A HN 0.443 nan 8.150 nan 0.000 0.489 273 V N 2.541 122.483 119.914 0.046 0.000 2.444 273 V HA 0.289 4.409 4.120 -0.000 0.000 0.294 273 V C 0.126 176.270 176.094 0.083 0.000 1.022 273 V CA -0.580 61.742 62.300 0.037 0.000 0.850 273 V CB 1.383 33.216 31.823 0.017 0.000 0.992 273 V HN 1.031 nan 8.190 nan 0.000 0.426 274 E N 5.116 125.359 120.200 0.073 0.000 2.289 274 E HA 0.472 4.822 4.350 -0.000 0.000 0.278 274 E C -0.378 176.250 176.600 0.045 0.000 1.032 274 E CA -0.386 56.067 56.400 0.088 0.000 0.854 274 E CB 0.746 30.511 29.700 0.108 0.000 1.046 274 E HN 0.588 nan 8.360 nan 0.000 0.409 275 R N 2.183 122.699 120.500 0.028 0.000 2.888 275 R HA 0.359 4.699 4.340 -0.000 0.000 0.266 275 R C -0.834 175.435 176.300 -0.052 0.000 1.020 275 R CA -0.946 55.139 56.100 -0.025 0.000 0.963 275 R CB 1.875 32.145 30.300 -0.049 0.000 1.197 275 R HN 0.411 nan 8.270 nan 0.000 0.481 276 T N 3.838 118.334 114.554 -0.096 0.000 2.779 276 T HA 0.173 4.523 4.350 -0.000 0.000 0.296 276 T C -2.235 172.379 174.700 -0.143 0.000 0.938 276 T CA -1.052 60.984 62.100 -0.107 0.000 1.119 276 T CB 0.711 69.498 68.868 -0.133 0.000 0.891 276 T HN 0.226 nan 8.240 nan 0.000 0.526 277 P HA 0.133 nan 4.420 nan 0.000 0.268 277 P C -0.149 177.110 177.300 -0.068 0.000 1.208 277 P CA -0.532 62.543 63.100 -0.043 0.000 0.777 277 P CB 0.410 32.150 31.700 0.067 0.000 0.875 278 I N 1.434 121.947 120.570 -0.096 0.000 2.474 278 I HA 0.154 4.323 4.170 -0.000 0.000 0.287 278 I C 0.649 176.733 176.117 -0.055 0.000 1.048 278 I CA 0.391 61.623 61.300 -0.114 0.000 1.383 278 I CB 0.294 38.222 38.000 -0.120 0.000 1.412 278 I HN 0.392 nan 8.210 nan 0.000 0.531 279 S N 4.149 119.799 115.700 -0.082 0.000 2.557 279 S HA 0.891 5.361 4.470 -0.000 0.000 0.291 279 S C -0.421 174.082 174.600 -0.162 0.000 1.116 279 S CA -0.713 57.331 58.200 -0.259 0.000 0.992 279 S CB 2.136 65.106 63.200 -0.383 0.000 1.028 279 S HN 0.875 nan 8.310 nan 0.000 0.484 280 G N 0.604 109.292 108.800 -0.186 0.000 2.619 280 G HA2 0.583 4.543 3.960 -0.000 0.000 0.296 280 G HA3 0.583 4.543 3.960 -0.000 0.000 0.296 280 G C -1.981 172.887 174.900 -0.052 0.000 1.334 280 G CA -0.597 44.461 45.100 -0.070 0.000 0.934 280 G HN 0.705 nan 8.290 nan 0.000 0.476 281 D N -0.385 120.025 120.400 0.017 0.000 2.256 281 D HA 0.396 5.036 4.640 -0.000 0.000 0.240 281 D C -1.646 174.750 176.300 0.159 0.000 1.062 281 D CA -0.390 53.646 54.000 0.059 0.000 0.832 281 D CB 1.933 42.748 40.800 0.025 0.000 1.135 281 D HN 0.276 nan 8.370 nan 0.000 0.484 282 Y N 4.112 124.447 120.300 0.057 0.000 2.349 282 Y HA 0.240 4.790 4.550 -0.000 0.000 0.324 282 Y C 0.252 176.247 175.900 0.158 0.000 1.005 282 Y CA -0.679 57.469 58.100 0.079 0.000 1.240 282 Y CB 0.653 39.148 38.460 0.058 0.000 1.117 282 Y HN 0.507 nan 8.280 nan 0.000 0.463 283 R N 4.149 124.507 120.500 -0.236 0.000 3.416 283 R HA -0.258 4.082 4.340 -0.000 0.000 0.263 283 R C 1.008 177.315 176.300 0.013 0.000 1.053 283 R CA 1.105 57.110 56.100 -0.158 0.000 0.705 283 R CB -1.924 28.218 30.300 -0.263 0.000 1.124 283 R HN 1.329 nan 8.270 nan 0.000 0.444 284 G N -1.913 106.880 108.800 -0.011 0.000 2.195 284 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.246 284 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.246 284 G C -0.057 174.757 174.900 -0.144 0.000 0.984 284 G CA 0.376 45.418 45.100 -0.098 0.000 0.633 284 G HN 0.397 nan 8.290 nan 0.000 0.525 285 Y N 0.605 120.924 120.300 0.032 0.000 2.334 285 Y HA 0.662 5.212 4.550 -0.000 0.000 0.328 285 Y C 0.605 176.529 175.900 0.040 0.000 1.130 285 Y CA -0.683 57.452 58.100 0.057 0.000 1.163 285 Y CB 1.378 39.898 38.460 0.101 0.000 1.207 285 Y HN 0.093 nan 8.280 nan 0.000 0.471 286 Q N 1.632 121.527 119.800 0.158 0.000 2.290 286 Q HA 0.512 4.852 4.340 -0.000 0.000 0.259 286 Q C -1.214 174.761 176.000 -0.041 0.000 0.941 286 Q CA -0.528 55.268 55.803 -0.012 0.000 0.912 286 Q CB 1.717 30.415 28.738 -0.067 0.000 1.244 286 Q HN 0.424 nan 8.270 nan 0.000 0.441 287 V N 4.110 123.934 119.914 -0.150 0.000 2.347 287 V HA 0.368 4.488 4.120 -0.000 0.000 0.280 287 V C -1.074 174.879 176.094 -0.234 0.000 1.021 287 V CA -0.726 61.514 62.300 -0.099 0.000 0.847 287 V CB 0.280 32.074 31.823 -0.048 0.000 0.990 287 V HN 0.655 nan 8.190 nan 0.000 0.444 288 Y N 2.898 123.201 120.300 0.005 0.000 2.341 288 Y HA 0.703 5.253 4.550 -0.000 0.000 0.337 288 Y C 0.578 176.454 175.900 -0.040 0.000 1.014 288 Y CA 0.088 58.177 58.100 -0.020 0.000 1.111 288 Y CB 2.152 40.601 38.460 -0.018 0.000 1.194 288 Y HN 0.642 nan 8.280 nan 0.000 0.462 289 S N 1.990 117.735 115.700 0.075 0.000 2.752 289 S HA 0.540 5.010 4.470 -0.000 0.000 0.284 289 S C -1.285 173.269 174.600 -0.077 0.000 1.189 289 S CA -0.828 57.367 58.200 -0.008 0.000 0.835 289 S CB 0.951 64.124 63.200 -0.044 0.000 1.192 289 S HN 0.592 nan 8.310 nan 0.000 0.506 290 M N 3.863 123.371 119.600 -0.153 0.000 2.217 290 M HA 0.400 4.880 4.480 -0.000 0.000 0.352 290 M C -2.275 173.837 176.300 -0.314 0.000 1.376 290 M CA -1.600 53.529 55.300 -0.286 0.000 1.107 290 M CB 0.777 33.080 32.600 -0.496 0.000 1.723 290 M HN 0.353 nan 8.290 nan 0.000 0.461 291 P HA 0.469 nan 4.420 nan 0.000 0.284 291 P C -2.841 174.287 177.300 -0.286 0.000 1.292 291 P CA -1.738 61.191 63.100 -0.286 0.000 0.800 291 P CB -0.279 31.240 31.700 -0.302 0.000 1.188 292 P HA 0.044 nan 4.420 nan 0.000 0.268 292 P C -1.545 175.703 177.300 -0.086 0.000 1.208 292 P CA -0.709 62.319 63.100 -0.119 0.000 0.777 292 P CB -0.785 30.887 31.700 -0.046 0.000 0.875 293 P HA -0.082 nan 4.420 nan 0.000 0.242 293 P C 0.148 177.457 177.300 0.014 0.000 1.198 293 P CA 0.987 64.126 63.100 0.065 0.000 0.756 293 P CB 0.256 32.062 31.700 0.177 0.000 0.911 294 S N 0.065 115.633 115.700 -0.219 0.000 2.565 294 S HA 0.345 4.815 4.470 -0.000 0.000 0.290 294 S C 1.276 175.772 174.600 -0.173 0.000 1.150 294 S CA -0.304 57.739 58.200 -0.261 0.000 1.058 294 S CB 0.922 63.713 63.200 -0.683 0.000 1.032 294 S HN 0.101 nan 8.310 nan 0.000 0.510 295 S N 2.996 118.646 115.700 -0.084 0.000 2.535 295 S HA 0.190 4.660 4.470 -0.000 0.000 0.214 295 S C 1.786 176.323 174.600 -0.105 0.000 0.980 295 S CA 0.297 58.454 58.200 -0.071 0.000 0.907 295 S CB -0.349 62.915 63.200 0.106 0.000 0.790 295 S HN 0.834 nan 8.310 nan 0.000 0.510 296 G N 2.355 111.095 108.800 -0.100 0.000 2.480 296 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.216 296 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.216 296 G C 1.428 176.262 174.900 -0.110 0.000 1.200 296 G CA 0.717 45.768 45.100 -0.083 0.000 0.782 296 G HN 0.613 nan 8.290 nan 0.000 0.554 297 G N 0.903 109.612 108.800 -0.152 0.000 2.446 297 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 297 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 297 G C 1.821 176.642 174.900 -0.131 0.000 1.168 297 G CA 0.923 45.944 45.100 -0.131 0.000 0.771 297 G HN 0.441 nan 8.290 nan 0.000 0.551 298 I N 0.078 120.531 120.570 -0.195 0.000 2.163 298 I HA -0.193 3.976 4.170 -0.000 0.000 0.243 298 I C 2.574 178.553 176.117 -0.230 0.000 1.085 298 I CA 1.156 62.323 61.300 -0.222 0.000 1.347 298 I CB -0.276 37.526 38.000 -0.330 0.000 1.044 298 I HN 0.194 nan 8.210 nan 0.000 0.408 299 H N 0.080 119.114 119.070 -0.060 0.000 2.470 299 H HA 0.048 4.604 4.556 -0.000 0.000 0.289 299 H C 2.362 177.636 175.328 -0.090 0.000 1.033 299 H CA 1.058 57.050 56.048 -0.093 0.000 1.331 299 H CB -0.060 29.583 29.762 -0.198 0.000 1.414 299 H HN 0.358 nan 8.280 nan 0.000 0.545 300 I N -0.014 120.555 120.570 -0.002 0.000 2.252 300 I HA -0.201 3.968 4.170 -0.000 0.000 0.245 300 I C 2.338 178.422 176.117 -0.055 0.000 1.102 300 I CA 0.671 61.948 61.300 -0.038 0.000 1.385 300 I CB -0.060 37.907 38.000 -0.054 0.000 1.064 300 I HN -0.002 nan 8.210 nan 0.000 0.414 301 V N 0.482 120.369 119.914 -0.045 0.000 2.427 301 V HA -0.291 3.828 4.120 -0.000 0.000 0.248 301 V C 2.427 178.520 176.094 -0.001 0.000 1.051 301 V CA 1.916 64.197 62.300 -0.031 0.000 1.048 301 V CB -0.622 31.188 31.823 -0.021 0.000 0.666 301 V HN 0.520 nan 8.190 nan 0.000 0.456 302 Q N -0.286 119.526 119.800 0.020 0.000 2.050 302 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 302 Q C 2.308 178.322 176.000 0.023 0.000 0.980 302 Q CA 1.925 57.755 55.803 0.045 0.000 0.840 302 Q CB -0.064 28.745 28.738 0.119 0.000 0.898 302 Q HN 0.471 nan 8.270 nan 0.000 0.424 303 I N 1.031 121.614 120.570 0.021 0.000 2.226 303 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 303 I C 2.429 178.543 176.117 -0.006 0.000 1.100 303 I CA 1.157 62.463 61.300 0.010 0.000 1.374 303 I CB -1.134 36.865 38.000 -0.001 0.000 1.057 303 I HN 0.363 nan 8.210 nan 0.000 0.413 304 L N 0.485 121.665 121.223 -0.071 0.000 2.042 304 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 304 L C 2.335 179.282 176.870 0.128 0.000 1.076 304 L CA 1.217 55.960 54.840 -0.162 0.000 0.749 304 L CB -0.692 41.138 42.059 -0.381 0.000 0.893 304 L HN 0.290 nan 8.230 nan 0.000 0.432 305 N N 0.104 118.863 118.700 0.098 0.000 2.104 305 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 305 N C 1.781 177.349 175.510 0.096 0.000 1.024 305 N CA 1.319 54.434 53.050 0.107 0.000 0.853 305 N CB -0.186 38.322 38.487 0.033 0.000 1.008 305 N HN 0.213 nan 8.380 nan 0.000 0.424 306 I N 1.218 121.830 120.570 0.070 0.000 2.142 306 I HA -0.197 3.973 4.170 -0.000 0.000 0.240 306 I C 2.203 178.477 176.117 0.260 0.000 1.078 306 I CA 0.873 62.230 61.300 0.095 0.000 1.343 306 I CB -1.146 36.892 38.000 0.064 0.000 1.046 306 I HN 0.120 nan 8.210 nan 0.000 0.405 307 L N 0.297 121.691 121.223 0.285 0.000 2.191 307 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 307 L C 2.459 179.605 176.870 0.460 0.000 1.103 307 L CA 1.119 56.209 54.840 0.417 0.000 0.769 307 L CB -0.645 41.587 42.059 0.289 0.000 0.908 307 L HN 0.348 nan 8.230 nan 0.000 0.438 308 E N 0.655 121.088 120.200 0.389 0.000 2.209 308 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 308 E C 1.560 178.180 176.600 0.033 0.000 0.993 308 E CA 0.925 57.417 56.400 0.154 0.000 0.819 308 E CB 0.103 29.852 29.700 0.081 0.000 0.745 308 E HN 0.499 nan 8.360 nan 0.000 0.477 309 N N -0.365 118.329 118.700 -0.011 0.000 2.571 309 N HA -0.035 4.705 4.740 -0.000 0.000 0.189 309 N C -0.672 174.542 175.510 -0.493 0.000 1.154 309 N CA 0.638 53.517 53.050 -0.285 0.000 0.907 309 N CB 0.208 38.427 38.487 -0.447 0.000 0.977 309 N HN 0.039 nan 8.380 nan 0.000 0.449 310 F N -0.149 119.849 119.950 0.080 0.000 2.561 310 F HA 0.206 4.733 4.527 0.000 0.000 0.321 310 F C 0.616 176.473 175.800 0.094 0.000 1.065 310 F CA -1.325 56.758 58.000 0.139 0.000 0.934 310 F CB 1.243 40.385 39.000 0.238 0.000 1.215 310 F HN -0.278 nan 8.300 nan 0.000 0.471 311 D N 2.920 123.432 120.400 0.187 0.000 2.619 311 D HA 0.093 4.733 4.640 -0.000 0.000 0.224 311 D C 1.258 177.501 176.300 -0.094 0.000 1.133 311 D CA 0.130 54.104 54.000 -0.044 0.000 1.017 311 D CB 0.260 40.940 40.800 -0.200 0.000 1.077 311 D HN 0.330 nan 8.370 nan 0.000 0.503 312 M N 1.219 120.922 119.600 0.172 0.000 2.106 312 M HA -0.203 4.277 4.480 -0.000 0.000 0.259 312 M C 1.946 178.322 176.300 0.127 0.000 1.068 312 M CA 1.278 56.735 55.300 0.262 0.000 1.100 312 M CB -0.813 31.947 32.600 0.266 0.000 1.351 312 M HN 0.324 nan 8.290 nan 0.000 0.404 313 K N 0.531 120.964 120.400 0.054 0.000 2.063 313 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 313 K C 2.014 178.605 176.600 -0.014 0.000 1.048 313 K CA 1.395 57.703 56.287 0.034 0.000 0.928 313 K CB 0.035 32.545 32.500 0.018 0.000 0.713 313 K HN 0.254 nan 8.250 nan 0.000 0.442 314 K N -0.409 119.912 120.400 -0.132 0.000 2.057 314 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 314 K C 2.205 178.729 176.600 -0.127 0.000 1.050 314 K CA 1.540 57.717 56.287 -0.183 0.000 0.935 314 K CB -0.232 32.073 32.500 -0.326 0.000 0.715 314 K HN 0.213 nan 8.250 nan 0.000 0.439 315 Y N 0.400 120.726 120.300 0.043 0.000 2.145 315 Y HA -0.062 4.488 4.550 -0.000 0.000 0.286 315 Y C 1.521 177.438 175.900 0.028 0.000 1.145 315 Y CA 1.042 59.158 58.100 0.025 0.000 1.148 315 Y CB -0.799 37.666 38.460 0.008 0.000 0.981 315 Y HN 0.268 nan 8.280 nan 0.000 0.507 316 G N -0.384 108.532 108.800 0.193 0.000 2.733 316 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.686 316 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.686 316 G C -0.556 174.433 174.900 0.149 0.000 1.373 316 G CA -0.583 44.612 45.100 0.158 0.000 0.838 316 G HN 0.320 nan 8.290 nan 0.000 0.588 317 F N 1.838 121.823 119.950 0.059 0.000 2.607 317 F HA 0.382 4.909 4.527 -0.000 0.000 0.374 317 F C 1.715 177.535 175.800 0.034 0.000 1.104 317 F CA 2.004 60.028 58.000 0.041 0.000 1.296 317 F CB 0.679 39.698 39.000 0.031 0.000 1.085 317 F HN 2.235 nan 8.300 nan 0.000 0.584 318 G N 3.147 111.464 108.800 -0.805 0.000 2.168 318 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.263 318 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.263 318 G C 0.123 174.931 174.900 -0.153 0.000 0.977 318 G CA 0.402 45.263 45.100 -0.398 0.000 0.659 318 G HN 1.227 nan 8.290 nan 0.000 0.533 319 S N -0.564 115.064 115.700 -0.121 0.000 2.586 319 S HA 0.772 5.242 4.470 -0.000 0.000 0.274 319 S C 1.607 176.142 174.600 -0.109 0.000 1.281 319 S CA 0.409 58.576 58.200 -0.055 0.000 1.035 319 S CB 1.968 65.181 63.200 0.022 0.000 0.962 319 S HN 1.607 nan 8.310 nan 0.000 0.512 320 A N 1.937 124.703 122.820 -0.089 0.000 1.933 320 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 320 A C 1.755 179.236 177.584 -0.172 0.000 1.175 320 A CA 1.738 53.707 52.037 -0.114 0.000 0.628 320 A CB -0.979 17.973 19.000 -0.081 0.000 0.814 320 A HN 0.878 nan 8.150 nan 0.000 0.444 321 D N 0.104 120.383 120.400 -0.202 0.000 2.097 321 D HA -0.065 4.575 4.640 -0.000 0.000 0.195 321 D C 2.284 178.276 176.300 -0.515 0.000 0.989 321 D CA 1.627 55.386 54.000 -0.403 0.000 0.827 321 D CB -0.518 39.959 40.800 -0.538 0.000 0.966 321 D HN 0.415 nan 8.370 nan 0.000 0.456 322 A N 0.640 123.253 122.820 -0.345 0.000 1.902 322 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 322 A C 2.290 179.733 177.584 -0.234 0.000 1.181 322 A CA 1.518 53.414 52.037 -0.234 0.000 0.623 322 A CB -0.577 18.383 19.000 -0.067 0.000 0.818 322 A HN 0.163 nan 8.150 nan 0.000 0.443 323 M N -1.372 118.095 119.600 -0.223 0.000 2.175 323 M HA -0.182 4.298 4.480 -0.000 0.000 0.264 323 M C 2.426 178.614 176.300 -0.188 0.000 1.063 323 M CA 1.907 57.089 55.300 -0.198 0.000 1.119 323 M CB -0.282 32.206 32.600 -0.186 0.000 1.377 323 M HN 0.574 nan 8.290 nan 0.000 0.415 324 Q N 1.335 121.007 119.800 -0.213 0.000 2.030 324 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 324 Q C 1.743 177.605 176.000 -0.231 0.000 0.986 324 Q CA 1.884 57.566 55.803 -0.201 0.000 0.843 324 Q CB -0.316 28.295 28.738 -0.212 0.000 0.904 324 Q HN 0.377 nan 8.270 nan 0.000 0.420 325 I N 0.138 120.501 120.570 -0.345 0.000 2.163 325 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 325 I C 2.387 178.341 176.117 -0.271 0.000 1.085 325 I CA 1.687 62.718 61.300 -0.448 0.000 1.347 325 I CB -1.146 36.424 38.000 -0.717 0.000 1.044 325 I HN 0.418 nan 8.210 nan 0.000 0.408 326 M N 0.081 119.562 119.600 -0.199 0.000 2.132 326 M HA -0.136 4.344 4.480 -0.000 0.000 0.263 326 M C 2.470 178.730 176.300 -0.068 0.000 1.065 326 M CA 1.853 57.089 55.300 -0.107 0.000 1.122 326 M CB -0.417 32.127 32.600 -0.093 0.000 1.365 326 M HN 0.243 nan 8.290 nan 0.000 0.411 327 A N 0.271 123.037 122.820 -0.089 0.000 1.883 327 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 327 A C 2.023 179.581 177.584 -0.044 0.000 1.186 327 A CA 1.575 53.572 52.037 -0.068 0.000 0.624 327 A CB -0.545 18.402 19.000 -0.089 0.000 0.822 327 A HN 0.385 nan 8.150 nan 0.000 0.444 328 E N -0.038 120.136 120.200 -0.044 0.000 2.051 328 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 328 E C 2.384 179.075 176.600 0.151 0.000 0.991 328 E CA 1.278 57.692 56.400 0.023 0.000 0.799 328 E CB -0.740 28.981 29.700 0.035 0.000 0.748 328 E HN 0.568 nan 8.360 nan 0.000 0.449 329 A N 1.517 124.404 122.820 0.112 0.000 1.877 329 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 329 A C 2.056 179.745 177.584 0.175 0.000 1.186 329 A CA 1.739 53.878 52.037 0.170 0.000 0.620 329 A CB -0.573 18.466 19.000 0.064 0.000 0.822 329 A HN 0.238 nan 8.150 nan 0.000 0.443 330 E N -0.183 120.082 120.200 0.108 0.000 2.160 330 E HA -0.213 4.136 4.350 -0.000 0.000 0.195 330 E C 2.017 178.733 176.600 0.193 0.000 0.991 330 E CA 1.389 57.883 56.400 0.158 0.000 0.810 330 E CB -0.147 29.647 29.700 0.157 0.000 0.742 330 E HN 0.607 nan 8.360 nan 0.000 0.466 331 K N 0.011 120.441 120.400 0.050 0.000 2.032 331 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 331 K C 1.967 178.501 176.600 -0.110 0.000 1.048 331 K CA 1.536 57.770 56.287 -0.089 0.000 0.927 331 K CB -0.230 32.095 32.500 -0.292 0.000 0.712 331 K HN 0.177 nan 8.250 nan 0.000 0.441 332 Y N 0.537 120.861 120.300 0.040 0.000 2.224 332 Y HA -0.200 4.350 4.550 -0.000 0.000 0.289 332 Y C 2.435 178.355 175.900 0.034 0.000 1.146 332 Y CA 1.125 59.248 58.100 0.038 0.000 1.182 332 Y CB -0.521 37.939 38.460 0.001 0.000 0.983 332 Y HN 0.107 nan 8.280 nan 0.000 0.524 333 A N -0.651 122.240 122.820 0.119 0.000 1.877 333 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 333 A C 1.847 179.189 177.584 -0.403 0.000 1.186 333 A CA 1.617 53.591 52.037 -0.105 0.000 0.620 333 A CB -1.242 17.651 19.000 -0.178 0.000 0.822 333 A HN 0.524 nan 8.150 nan 0.000 0.443 334 Y N -0.181 119.985 120.300 -0.223 0.000 2.373 334 Y HA 0.008 4.558 4.550 -0.000 0.000 0.293 334 Y C 2.812 178.638 175.900 -0.123 0.000 1.129 334 Y CA 0.720 58.690 58.100 -0.218 0.000 1.226 334 Y CB -0.297 38.076 38.460 -0.145 0.000 1.000 334 Y HN 0.346 nan 8.280 nan 0.000 0.549 335 A N 0.058 122.917 122.820 0.064 0.000 1.873 335 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 335 A C 1.867 179.497 177.584 0.076 0.000 1.186 335 A CA 1.948 54.017 52.037 0.053 0.000 0.616 335 A CB -0.629 18.399 19.000 0.046 0.000 0.823 335 A HN 0.300 nan 8.150 nan 0.000 0.442 336 D N -0.719 119.772 120.400 0.151 0.000 2.144 336 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 336 D C 2.036 178.485 176.300 0.248 0.000 0.984 336 D CA 1.188 55.374 54.000 0.311 0.000 0.834 336 D CB -0.365 40.724 40.800 0.481 0.000 0.955 336 D HN 0.501 nan 8.370 nan 0.000 0.465 337 R N 0.842 121.392 120.500 0.083 0.000 2.103 337 R HA -0.161 4.179 4.340 -0.000 0.000 0.242 337 R C 2.158 178.520 176.300 0.104 0.000 1.142 337 R CA 1.904 58.091 56.100 0.146 0.000 0.960 337 R CB -0.166 30.057 30.300 -0.128 0.000 0.858 337 R HN 0.220 nan 8.270 nan 0.000 0.439 338 S N -0.699 115.025 115.700 0.040 0.000 2.469 338 S HA -0.140 4.330 4.470 -0.000 0.000 0.238 338 S C 1.642 176.210 174.600 -0.053 0.000 0.998 338 S CA 1.428 59.633 58.200 0.009 0.000 0.957 338 S CB 0.142 63.343 63.200 0.002 0.000 0.764 338 S HN 0.485 nan 8.310 nan 0.000 0.514 339 E N 0.041 120.153 120.200 -0.145 0.000 2.306 339 E HA 0.198 4.548 4.350 -0.000 0.000 0.201 339 E C 0.910 177.284 176.600 -0.376 0.000 0.874 339 E CA 0.378 56.560 56.400 -0.362 0.000 0.972 339 E CB -0.191 29.089 29.700 -0.700 0.000 0.957 339 E HN 0.611 nan 8.360 nan 0.000 0.492 340 Y N -0.100 120.256 120.300 0.093 0.000 2.458 340 Y HA 0.347 4.896 4.550 -0.000 0.000 0.254 340 Y C 0.282 176.237 175.900 0.092 0.000 1.120 340 Y CA -0.306 57.847 58.100 0.088 0.000 1.282 340 Y CB 0.587 39.100 38.460 0.088 0.000 1.109 340 Y HN -0.023 nan 8.280 nan 0.000 0.526 341 L N 0.759 122.112 121.223 0.216 0.000 2.292 341 L HA 0.641 4.981 4.340 -0.000 0.000 0.284 341 L C 0.514 177.453 176.870 0.115 0.000 1.065 341 L CA 0.238 55.175 54.840 0.161 0.000 0.806 341 L CB 0.638 42.800 42.059 0.171 0.000 1.175 341 L HN 0.318 nan 8.230 nan 0.000 0.431 342 G N 2.435 111.299 108.800 0.106 0.000 2.488 342 G HA2 0.103 4.063 3.960 -0.000 0.000 0.301 342 G HA3 0.103 4.063 3.960 -0.000 0.000 0.301 342 G C -1.441 173.520 174.900 0.103 0.000 1.339 342 G CA -0.582 44.573 45.100 0.093 0.000 0.803 342 G HN 0.405 nan 8.290 nan 0.000 0.482 343 D N 1.115 121.581 120.400 0.110 0.000 2.412 343 D HA 0.137 4.777 4.640 -0.000 0.000 0.257 343 D C -0.667 175.760 176.300 0.211 0.000 1.217 343 D CA -1.382 52.716 54.000 0.164 0.000 0.897 343 D CB 1.706 42.617 40.800 0.186 0.000 1.132 343 D HN 0.050 nan 8.370 nan 0.000 0.493 344 P HA -0.111 nan 4.420 nan 0.000 0.225 344 P C 0.334 177.704 177.300 0.118 0.000 1.148 344 P CA 0.671 63.844 63.100 0.121 0.000 0.779 344 P CB 0.471 32.206 31.700 0.058 0.000 0.780 345 D N -1.484 119.007 120.400 0.151 0.000 2.363 345 D HA 0.023 4.663 4.640 -0.000 0.000 0.220 345 D C 1.356 177.551 176.300 -0.174 0.000 0.994 345 D CA 0.735 54.738 54.000 0.004 0.000 0.890 345 D CB -0.309 40.481 40.800 -0.016 0.000 0.906 345 D HN 0.302 nan 8.370 nan 0.000 0.530 346 F N -0.457 119.515 119.950 0.038 0.000 2.619 346 F HA 0.155 4.682 4.527 -0.000 0.000 0.281 346 F C 0.795 176.621 175.800 0.044 0.000 1.065 346 F CA -0.167 57.857 58.000 0.039 0.000 1.304 346 F CB 0.932 39.956 39.000 0.040 0.000 1.059 346 F HN -0.288 nan 8.300 nan 0.000 0.648 347 V N 0.846 120.903 119.914 0.237 0.000 2.823 347 V HA 0.493 4.613 4.120 -0.000 0.000 0.312 347 V C -0.999 175.177 176.094 0.137 0.000 1.072 347 V CA -1.008 61.390 62.300 0.163 0.000 0.937 347 V CB 1.942 33.860 31.823 0.158 0.000 1.013 347 V HN -0.045 nan 8.190 nan 0.000 0.430 348 K N 4.526 124.996 120.400 0.117 0.000 2.310 348 K HA 0.411 4.731 4.320 -0.000 0.000 0.290 348 K C -1.009 175.674 176.600 0.138 0.000 1.077 348 K CA 0.053 56.409 56.287 0.115 0.000 0.922 348 K CB 0.517 33.066 32.500 0.082 0.000 1.057 348 K HN 0.488 nan 8.250 nan 0.000 0.479 349 V N 8.478 128.495 119.914 0.173 0.000 2.432 349 V HA 0.257 4.377 4.120 -0.000 0.000 0.271 349 V C -1.701 174.501 176.094 0.180 0.000 1.046 349 V CA -1.455 60.960 62.300 0.192 0.000 0.945 349 V CB 1.209 33.153 31.823 0.200 0.000 0.992 349 V HN 0.815 nan 8.190 nan 0.000 0.471 350 P HA 0.009 nan 4.420 nan 0.000 0.225 350 P C 1.126 178.355 177.300 -0.119 0.000 1.768 350 P CA -0.218 62.811 63.100 -0.118 0.000 0.943 350 P CB -0.168 31.380 31.700 -0.253 0.000 1.936 351 W N 1.508 122.764 121.300 -0.073 0.000 2.363 351 W HA -0.185 4.475 4.660 -0.000 0.000 0.296 351 W C 0.760 177.236 176.519 -0.071 0.000 1.212 351 W CA 0.652 57.952 57.345 -0.076 0.000 1.260 351 W CB -1.550 27.871 29.460 -0.064 0.000 1.131 351 W HN 0.096 nan 8.180 nan 0.000 0.530 352 Q N 1.572 120.836 119.800 -0.893 0.000 2.050 352 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 352 Q C 2.835 178.635 176.000 -0.334 0.000 0.980 352 Q CA 2.860 58.200 55.803 -0.771 0.000 0.840 352 Q CB -1.047 27.105 28.738 -0.977 0.000 0.898 352 Q HN 0.325 nan 8.270 nan 0.000 0.424 353 A N 0.629 123.260 122.820 -0.316 0.000 1.877 353 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 353 A C 2.088 179.547 177.584 -0.209 0.000 1.186 353 A CA 1.243 53.133 52.037 -0.245 0.000 0.620 353 A CB -0.799 18.018 19.000 -0.306 0.000 0.822 353 A HN 0.338 nan 8.150 nan 0.000 0.443 354 L N -0.092 121.038 121.223 -0.155 0.000 2.131 354 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 354 L C 2.369 179.316 176.870 0.127 0.000 1.092 354 L CA 1.683 56.545 54.840 0.036 0.000 0.759 354 L CB -0.582 41.501 42.059 0.040 0.000 0.903 354 L HN 0.645 nan 8.230 nan 0.000 0.435 355 T N -4.381 110.207 114.554 0.057 0.000 3.145 355 T HA 0.041 4.391 4.350 -0.000 0.000 0.255 355 T C 0.714 175.430 174.700 0.028 0.000 1.039 355 T CA -0.438 61.700 62.100 0.063 0.000 0.928 355 T CB -0.439 68.491 68.868 0.104 0.000 1.029 355 T HN 0.126 nan 8.240 nan 0.000 0.554 356 N N 1.881 120.583 118.700 0.003 0.000 2.470 356 N HA 0.106 4.846 4.740 -0.000 0.000 0.268 356 N C 0.782 176.267 175.510 -0.042 0.000 1.136 356 N CA -0.057 52.974 53.050 -0.032 0.000 0.961 356 N CB 1.063 39.511 38.487 -0.064 0.000 1.067 356 N HN 0.293 nan 8.380 nan 0.000 0.468 357 K N 2.720 123.099 120.400 -0.035 0.000 2.211 357 K HA -0.082 4.237 4.320 -0.000 0.000 0.203 357 K C 1.655 178.206 176.600 -0.082 0.000 1.050 357 K CA 1.209 57.469 56.287 -0.046 0.000 0.945 357 K CB 0.054 32.542 32.500 -0.020 0.000 0.732 357 K HN 0.633 nan 8.250 nan 0.000 0.451 358 A N 0.681 123.456 122.820 -0.075 0.000 1.930 358 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 358 A C 2.009 179.440 177.584 -0.255 0.000 1.175 358 A CA 1.086 53.090 52.037 -0.055 0.000 0.627 358 A CB -0.606 18.465 19.000 0.117 0.000 0.815 358 A HN 0.389 nan 8.150 nan 0.000 0.443 359 Y N 0.873 120.706 120.300 -0.779 0.000 2.200 359 Y HA -0.052 4.498 4.550 -0.000 0.000 0.290 359 Y C 2.593 178.230 175.900 -0.437 0.000 1.137 359 Y CA 0.937 58.386 58.100 -1.085 0.000 1.163 359 Y CB -0.819 37.019 38.460 -1.037 0.000 0.988 359 Y HN 0.293 nan 8.280 nan 0.000 0.518 360 A N 0.334 122.911 122.820 -0.406 0.000 1.908 360 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 360 A C 2.225 179.645 177.584 -0.274 0.000 1.181 360 A CA 2.094 53.917 52.037 -0.356 0.000 0.627 360 A CB -0.730 18.173 19.000 -0.162 0.000 0.818 360 A HN 0.402 nan 8.150 nan 0.000 0.445 361 K N 1.016 121.298 120.400 -0.197 0.000 2.057 361 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 361 K C 2.216 178.728 176.600 -0.145 0.000 1.049 361 K CA 2.107 58.307 56.287 -0.144 0.000 0.931 361 K CB -0.527 31.917 32.500 -0.093 0.000 0.714 361 K HN 0.557 nan 8.250 nan 0.000 0.440 362 S N -0.032 115.578 115.700 -0.149 0.000 2.419 362 S HA -0.099 4.371 4.470 -0.000 0.000 0.233 362 S C 1.843 176.328 174.600 -0.192 0.000 1.016 362 S CA 1.043 59.190 58.200 -0.089 0.000 0.974 362 S CB -0.377 62.857 63.200 0.056 0.000 0.786 362 S HN 0.211 nan 8.310 nan 0.000 0.492 363 I N 2.499 122.857 120.570 -0.353 0.000 2.339 363 I HA 0.116 4.285 4.170 -0.000 0.000 0.245 363 I C 3.080 178.996 176.117 -0.334 0.000 1.096 363 I CA 0.903 61.893 61.300 -0.517 0.000 1.408 363 I CB -1.959 35.634 38.000 -0.678 0.000 1.092 363 I HN 0.410 nan 8.210 nan 0.000 0.423 364 A N 0.760 123.481 122.820 -0.166 0.000 1.940 364 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 364 A C 1.863 179.473 177.584 0.045 0.000 1.176 364 A CA 2.006 54.069 52.037 0.044 0.000 0.631 364 A CB -0.658 18.321 19.000 -0.036 0.000 0.814 364 A HN 0.363 nan 8.150 nan 0.000 0.446 365 D N -0.519 119.847 120.400 -0.056 0.000 2.310 365 D HA -0.085 4.555 4.640 -0.000 0.000 0.212 365 D C 1.913 178.214 176.300 0.002 0.000 0.965 365 D CA 0.968 54.952 54.000 -0.028 0.000 0.879 365 D CB -0.190 40.585 40.800 -0.041 0.000 0.921 365 D HN 0.678 nan 8.370 nan 0.000 0.510 366 Q N -0.297 119.483 119.800 -0.033 0.000 2.408 366 Q HA 0.167 4.507 4.340 -0.000 0.000 0.205 366 Q C 0.508 176.549 176.000 0.068 0.000 0.919 366 Q CA 0.029 55.833 55.803 0.002 0.000 0.932 366 Q CB 0.955 29.661 28.738 -0.054 0.000 1.058 366 Q HN 0.279 nan 8.270 nan 0.000 0.517 367 I N 2.419 123.042 120.570 0.089 0.000 2.436 367 I HA -0.002 4.168 4.170 -0.000 0.000 0.289 367 I C -0.035 176.141 176.117 0.099 0.000 1.083 367 I CA -0.144 61.226 61.300 0.116 0.000 1.372 367 I CB 0.331 38.399 38.000 0.114 0.000 1.408 367 I HN -0.072 nan 8.210 nan 0.000 0.516 368 D N 7.189 127.624 120.400 0.058 0.000 2.359 368 D HA 0.206 4.846 4.640 -0.000 0.000 0.230 368 D C 0.838 177.131 176.300 -0.011 0.000 1.118 368 D CA -0.454 53.568 54.000 0.036 0.000 0.844 368 D CB 1.208 42.027 40.800 0.031 0.000 1.059 368 D HN 0.316 nan 8.370 nan 0.000 0.493 369 I N 3.099 123.656 120.570 -0.022 0.000 2.700 369 I HA -0.175 3.995 4.170 -0.000 0.000 0.261 369 I C 1.641 177.713 176.117 -0.075 0.000 1.219 369 I CA 0.711 61.956 61.300 -0.092 0.000 1.463 369 I CB -0.376 37.568 38.000 -0.093 0.000 1.092 369 I HN 0.331 nan 8.210 nan 0.000 0.452 370 N N 0.609 119.288 118.700 -0.035 0.000 2.184 370 N HA 0.131 4.870 4.740 -0.000 0.000 0.206 370 N C 0.188 175.683 175.510 -0.025 0.000 1.151 370 N CA 0.184 53.217 53.050 -0.030 0.000 0.878 370 N CB 0.782 39.262 38.487 -0.011 0.000 1.014 370 N HN 0.309 nan 8.380 nan 0.000 0.512 371 K N 0.765 121.151 120.400 -0.023 0.000 2.651 371 K HA 0.428 4.747 4.320 -0.000 0.000 0.259 371 K C -1.393 175.197 176.600 -0.017 0.000 1.017 371 K CA -0.385 55.892 56.287 -0.018 0.000 0.897 371 K CB 1.690 34.187 32.500 -0.005 0.000 1.262 371 K HN -0.059 nan 8.250 nan 0.000 0.460 372 A N 3.622 126.424 122.820 -0.029 0.000 2.462 372 A HA 0.188 4.508 4.320 -0.000 0.000 0.243 372 A C -0.401 177.170 177.584 -0.022 0.000 1.076 372 A CA -0.050 51.968 52.037 -0.032 0.000 0.773 372 A CB 0.385 19.356 19.000 -0.048 0.000 1.010 372 A HN 0.705 nan 8.150 nan 0.000 0.493 373 K N 3.083 123.472 120.400 -0.020 0.000 2.234 373 K HA 0.409 4.729 4.320 -0.000 0.000 0.277 373 K C -2.727 173.839 176.600 -0.056 0.000 1.038 373 K CA -1.889 54.387 56.287 -0.018 0.000 0.888 373 K CB 0.659 33.169 32.500 0.016 0.000 1.091 373 K HN 0.347 nan 8.250 nan 0.000 0.467 374 P HA -0.021 nan 4.420 nan 0.000 0.264 374 P C -0.070 177.184 177.300 -0.076 0.000 1.183 374 P CA 0.147 63.214 63.100 -0.055 0.000 0.763 374 P CB 0.856 32.534 31.700 -0.037 0.000 0.807 375 S N 1.628 117.274 115.700 -0.091 0.000 2.400 375 S HA -0.168 4.302 4.470 -0.000 0.000 0.232 375 S C 1.837 176.392 174.600 -0.075 0.000 1.025 375 S CA 1.761 59.896 58.200 -0.107 0.000 0.993 375 S CB -0.786 62.354 63.200 -0.101 0.000 0.808 375 S HN 0.693 nan 8.310 nan 0.000 0.478 376 S N 1.496 117.164 115.700 -0.053 0.000 2.469 376 S HA -0.076 4.394 4.470 -0.000 0.000 0.238 376 S C 1.101 175.687 174.600 -0.024 0.000 0.998 376 S CA 0.773 58.953 58.200 -0.034 0.000 0.957 376 S CB -0.318 62.866 63.200 -0.026 0.000 0.764 376 S HN 0.619 nan 8.310 nan 0.000 0.514 377 E N 0.172 120.355 120.200 -0.028 0.000 2.501 377 E HA 0.373 4.723 4.350 -0.000 0.000 0.200 377 E C -0.480 176.118 176.600 -0.003 0.000 1.016 377 E CA -0.122 56.275 56.400 -0.006 0.000 0.921 377 E CB 0.396 30.098 29.700 0.003 0.000 1.034 377 E HN 0.569 nan 8.360 nan 0.000 0.468 378 I N 1.693 122.237 120.570 -0.042 0.000 2.406 378 I HA 0.344 4.514 4.170 -0.000 0.000 0.290 378 I C 0.073 176.183 176.117 -0.012 0.000 0.999 378 I CA -0.667 60.597 61.300 -0.060 0.000 1.124 378 I CB 1.199 39.044 38.000 -0.258 0.000 1.289 378 I HN -0.152 nan 8.210 nan 0.000 0.441 379 R N 5.035 125.571 120.500 0.059 0.000 2.912 379 R HA 0.562 4.902 4.340 -0.000 0.000 0.262 379 R C -2.647 173.735 176.300 0.137 0.000 1.057 379 R CA -2.036 54.106 56.100 0.071 0.000 0.981 379 R CB 1.560 31.901 30.300 0.068 0.000 1.201 379 R HN 0.221 nan 8.270 nan 0.000 0.484 380 P HA -0.008 nan 4.420 nan 0.000 0.264 380 P C -0.016 177.476 177.300 0.319 0.000 1.183 380 P CA 0.329 63.557 63.100 0.212 0.000 0.763 380 P CB 0.372 32.088 31.700 0.026 0.000 0.807 381 G N 2.530 111.598 108.800 0.447 0.000 2.636 381 G HA2 0.138 4.098 3.960 -0.000 0.000 0.246 381 G HA3 0.138 4.098 3.960 -0.000 0.000 0.246 381 G C -0.569 174.507 174.900 0.294 0.000 1.216 381 G CA -0.619 44.733 45.100 0.420 0.000 0.854 381 G HN 0.384 nan 8.290 nan 0.000 0.572 382 K N 1.508 122.041 120.400 0.220 0.000 2.263 382 K HA 0.215 4.535 4.320 -0.000 0.000 0.282 382 K C 0.927 177.540 176.600 0.021 0.000 1.089 382 K CA -0.262 56.096 56.287 0.119 0.000 0.907 382 K CB 1.208 33.769 32.500 0.101 0.000 1.148 382 K HN 0.324 nan 8.250 nan 0.000 0.470 383 L N 1.937 123.091 121.223 -0.115 0.000 2.418 383 L HA -0.037 4.303 4.340 -0.000 0.000 0.218 383 L C 2.283 179.062 176.870 -0.152 0.000 1.125 383 L CA 0.300 55.010 54.840 -0.217 0.000 0.835 383 L CB -0.458 41.333 42.059 -0.447 0.000 0.953 383 L HN 0.721 nan 8.230 nan 0.000 0.454 384 A N 1.984 124.725 122.820 -0.133 0.000 1.909 384 A HA -0.202 4.118 4.320 -0.000 0.000 0.221 384 A C 0.065 177.516 177.584 -0.221 0.000 1.223 384 A CA 2.325 54.277 52.037 -0.141 0.000 0.658 384 A CB -2.043 16.898 19.000 -0.099 0.000 0.831 384 A HN 0.360 nan 8.150 nan 0.000 0.462 385 P HA -0.059 nan 4.420 nan 0.000 0.239 385 P C -0.294 176.562 177.300 -0.740 0.000 1.184 385 P CA 0.936 63.697 63.100 -0.563 0.000 0.760 385 P CB -0.201 31.084 31.700 -0.693 0.000 0.884 386 Y N -1.414 118.810 120.300 -0.127 0.000 2.626 386 Y HA 0.275 4.824 4.550 -0.000 0.000 0.248 386 Y C 1.266 177.061 175.900 -0.176 0.000 1.147 386 Y CA -0.730 57.285 58.100 -0.140 0.000 1.219 386 Y CB 0.094 38.450 38.460 -0.174 0.000 1.279 386 Y HN -0.140 nan 8.280 nan 0.000 0.541 387 E N 0.000 120.145 120.200 -0.092 0.000 2.725 387 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 387 E CA 0.000 56.327 56.400 -0.123 0.000 0.976 387 E CB 0.000 29.626 29.700 -0.124 0.000 0.812 387 E HN 0.000 nan 8.360 nan 0.000 0.440