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 3khz_1_B DATA FIRST_RESID -1 DATA SEQUENCE ASMWKEKVQQ YEDQIINDLK GLLAIESVRD DAKASEDAPV GPGPRKALDY DATA SEQUENCE MYEIAHRDGF TTHDVDHIAG RIEAGKGNDV LGILCHVDVV PAGDGWDSNP DATA SEQUENCE FEPVVTEDAI IARGTLDDKG PTIAAYYAIK ILEDMNVDWK KRIHMIIGTD DATA SEQUENCE EESDWKcTDR YFKTEEMPTL GFAPDAEFPc IHGEKGITTF DLVQNKLTED DATA SEQUENCE QDEPDYELIT FKSGERYNMV PDHAEARVLV KENMTDVIQD FEYFLEQNHL DATA SEQUENCE QGDSTVDSGI LVLTVEGKAV HGMDPSIGVN AGLYLLKFLA SLNLDNNAQA DATA SEQUENCE FVAFSNRYLF NSDFGEKMGM KFHTDVMGDV TTNIGVITYD NENAGLFGIN DATA SEQUENCE LAYPEGFEFE KAMDRFANEI QQYGFEVKLG KVQPPHYVDK NDPFVQKLVT DATA SEQUENCE AYRNQTXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XHQKNEYITK DATA SEQUENCE KQLFNATSIY LEAIYSLCVE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 A HA 0.000 nan 4.320 nan 0.000 0.244 -1 A C 0.000 177.544 177.584 -0.067 0.000 1.274 -1 A CA 0.000 51.991 52.037 -0.077 0.000 0.836 -1 A CB 0.000 18.950 19.000 -0.084 0.000 0.831 0 S N 0.921 116.598 115.700 -0.039 0.000 2.720 0 S HA 0.009 4.480 4.470 0.001 0.000 0.222 0 S C 1.676 176.245 174.600 -0.052 0.000 0.958 0 S CA 0.670 58.875 58.200 0.010 0.000 0.943 0 S CB -0.344 62.872 63.200 0.027 0.000 0.779 0 S HN 0.566 nan 8.310 nan 0.000 0.526 1 M N 0.503 119.977 119.600 -0.209 0.000 2.144 1 M HA -0.148 4.333 4.480 0.001 0.000 0.260 1 M C 1.167 177.340 176.300 -0.212 0.000 1.067 1 M CA 1.646 56.780 55.300 -0.277 0.000 1.095 1 M CB -0.973 31.343 32.600 -0.474 0.000 1.365 1 M HN 0.533 nan 8.290 nan 0.000 0.406 2 W N 0.959 122.232 121.300 -0.046 0.000 2.318 2 W HA -0.265 4.396 4.660 0.001 0.000 0.313 2 W C 2.475 178.990 176.519 -0.008 0.000 1.221 2 W CA 1.218 58.541 57.345 -0.035 0.000 1.266 2 W CB -0.462 28.980 29.460 -0.030 0.000 1.150 2 W HN 0.214 nan 8.180 nan 0.000 0.496 3 K N 0.293 120.824 120.400 0.219 0.000 2.217 3 K HA -0.165 4.155 4.320 0.001 0.000 0.202 3 K C 1.821 178.470 176.600 0.083 0.000 1.051 3 K CA 1.607 57.978 56.287 0.140 0.000 0.952 3 K CB -0.139 32.421 32.500 0.100 0.000 0.736 3 K HN 0.338 nan 8.250 nan 0.000 0.453 4 E N 0.034 120.265 120.200 0.051 0.000 2.371 4 E HA -0.142 4.209 4.350 0.001 0.000 0.194 4 E C 1.706 178.335 176.600 0.048 0.000 1.012 4 E CA 0.702 57.116 56.400 0.022 0.000 0.860 4 E CB 0.116 29.809 29.700 -0.011 0.000 0.811 4 E HN 0.064 nan 8.360 nan 0.000 0.502 5 K N 1.136 121.592 120.400 0.093 0.000 2.186 5 K HA -0.000 4.320 4.320 0.001 0.000 0.202 5 K C 1.912 178.644 176.600 0.220 0.000 1.052 5 K CA 0.569 56.947 56.287 0.151 0.000 0.965 5 K CB 0.222 32.827 32.500 0.175 0.000 0.746 5 K HN -0.001 nan 8.250 nan 0.000 0.457 6 V N 1.363 121.375 119.914 0.164 0.000 2.427 6 V HA -0.225 3.896 4.120 0.001 0.000 0.248 6 V C 2.372 178.483 176.094 0.029 0.000 1.051 6 V CA 1.986 64.362 62.300 0.126 0.000 1.048 6 V CB -0.462 31.415 31.823 0.090 0.000 0.666 6 V HN 0.480 nan 8.190 nan 0.000 0.456 7 Q N 1.216 120.991 119.800 -0.041 0.000 2.197 7 Q HA -0.303 4.038 4.340 0.001 0.000 0.211 7 Q C 1.976 177.913 176.000 -0.104 0.000 0.993 7 Q CA 3.079 58.801 55.803 -0.136 0.000 0.883 7 Q CB -0.485 28.213 28.738 -0.068 0.000 0.916 7 Q HN 0.711 nan 8.270 nan 0.000 0.418 8 Q N -1.076 118.725 119.800 0.002 0.000 2.482 8 Q HA -0.022 4.318 4.340 0.001 0.000 0.209 8 Q C 0.846 176.697 176.000 -0.249 0.000 0.961 8 Q CA 1.263 57.007 55.803 -0.098 0.000 0.945 8 Q CB -0.496 28.186 28.738 -0.092 0.000 1.012 8 Q HN 0.788 nan 8.270 nan 0.000 0.515 9 Y N -0.595 119.645 120.300 -0.100 0.000 2.500 9 Y HA 0.178 4.728 4.550 0.001 0.000 0.246 9 Y C 1.950 177.726 175.900 -0.206 0.000 1.146 9 Y CA -0.177 57.864 58.100 -0.099 0.000 1.230 9 Y CB 0.894 39.336 38.460 -0.031 0.000 1.214 9 Y HN 0.419 nan 8.280 nan 0.000 0.526 10 E N 0.898 120.980 120.200 -0.196 0.000 2.095 10 E HA -0.292 4.059 4.350 0.001 0.000 0.212 10 E C 1.022 177.613 176.600 -0.015 0.000 1.044 10 E CA 1.956 58.178 56.400 -0.296 0.000 0.857 10 E CB -0.154 29.311 29.700 -0.392 0.000 0.764 10 E HN 0.472 nan 8.360 nan 0.000 0.462 11 D N 0.620 121.011 120.400 -0.014 0.000 2.106 11 D HA -0.185 4.456 4.640 0.001 0.000 0.191 11 D C 2.076 178.401 176.300 0.042 0.000 0.997 11 D CA 1.311 55.330 54.000 0.032 0.000 0.834 11 D CB -0.398 40.411 40.800 0.015 0.000 0.956 11 D HN 0.308 nan 8.370 nan 0.000 0.448 12 Q N -0.178 119.635 119.800 0.021 0.000 2.167 12 Q HA -0.055 4.286 4.340 0.001 0.000 0.202 12 Q C 2.446 178.398 176.000 -0.081 0.000 0.970 12 Q CA 0.568 56.406 55.803 0.059 0.000 0.855 12 Q CB 0.070 28.923 28.738 0.192 0.000 0.911 12 Q HN 0.366 nan 8.270 nan 0.000 0.438 13 I N 0.041 120.451 120.570 -0.268 0.000 2.133 13 I HA -0.278 3.893 4.170 0.001 0.000 0.238 13 I C 1.983 178.132 176.117 0.053 0.000 1.074 13 I CA 0.871 62.001 61.300 -0.283 0.000 1.342 13 I CB -0.202 37.708 38.000 -0.151 0.000 1.053 13 I HN 0.125 nan 8.210 nan 0.000 0.404 14 I N 1.202 121.854 120.570 0.137 0.000 2.113 14 I HA -0.371 3.799 4.170 0.001 0.000 0.242 14 I C 2.237 178.426 176.117 0.121 0.000 1.064 14 I CA 1.734 63.117 61.300 0.138 0.000 1.320 14 I CB -0.740 37.350 38.000 0.151 0.000 1.028 14 I HN 0.271 nan 8.210 nan 0.000 0.406 15 N N 0.406 119.178 118.700 0.120 0.000 2.069 15 N HA -0.190 4.551 4.740 0.001 0.000 0.191 15 N C 1.580 177.201 175.510 0.184 0.000 1.031 15 N CA 1.558 54.689 53.050 0.134 0.000 0.852 15 N CB -0.506 38.057 38.487 0.127 0.000 1.018 15 N HN 0.359 nan 8.380 nan 0.000 0.423 16 D N 0.239 120.775 120.400 0.227 0.000 2.178 16 D HA -0.088 4.552 4.640 0.001 0.000 0.202 16 D C 1.970 178.444 176.300 0.291 0.000 0.974 16 D CA 0.252 54.444 54.000 0.319 0.000 0.841 16 D CB -0.143 40.898 40.800 0.402 0.000 0.953 16 D HN 0.138 nan 8.370 nan 0.000 0.478 17 L N 1.264 122.607 121.223 0.199 0.000 2.072 17 L HA -0.088 4.252 4.340 0.001 0.000 0.205 17 L C 1.875 178.789 176.870 0.074 0.000 1.079 17 L CA 1.661 56.583 54.840 0.136 0.000 0.752 17 L CB -0.345 41.785 42.059 0.119 0.000 0.906 17 L HN -0.184 nan 8.230 nan 0.000 0.436 18 K N -0.300 120.150 120.400 0.083 0.000 1.987 18 K HA -0.163 4.157 4.320 0.001 0.000 0.216 18 K C 2.032 178.629 176.600 -0.005 0.000 1.051 18 K CA 1.557 57.873 56.287 0.048 0.000 0.942 18 K CB -1.122 31.419 32.500 0.068 0.000 0.722 18 K HN 0.529 nan 8.250 nan 0.000 0.444 19 G N 1.936 110.757 108.800 0.035 0.000 2.547 19 G HA2 -0.293 3.667 3.960 0.001 0.000 0.221 19 G HA3 -0.293 3.667 3.960 0.001 0.000 0.221 19 G C 1.437 175.993 174.900 -0.573 0.000 1.140 19 G CA 1.076 46.129 45.100 -0.079 0.000 0.760 19 G HN 0.179 nan 8.290 nan 0.000 0.583 20 L N 0.305 121.177 121.223 -0.585 0.000 2.109 20 L HA 0.208 4.549 4.340 0.001 0.000 0.207 20 L C 2.631 179.333 176.870 -0.281 0.000 1.086 20 L CA 1.193 55.651 54.840 -0.637 0.000 0.760 20 L CB -0.410 41.502 42.059 -0.245 0.000 0.910 20 L HN 0.249 nan 8.230 nan 0.000 0.437 21 L N -0.710 120.434 121.223 -0.131 0.000 2.217 21 L HA -0.045 4.296 4.340 0.001 0.000 0.211 21 L C 2.487 179.358 176.870 0.002 0.000 1.107 21 L CA 0.850 55.672 54.840 -0.030 0.000 0.783 21 L CB -0.810 41.253 42.059 0.006 0.000 0.919 21 L HN 0.308 nan 8.230 nan 0.000 0.442 22 A N 0.027 122.813 122.820 -0.057 0.000 2.168 22 A HA 0.050 4.371 4.320 0.001 0.000 0.215 22 A C 1.191 178.738 177.584 -0.062 0.000 1.152 22 A CA 0.361 52.386 52.037 -0.021 0.000 0.716 22 A CB -0.561 18.417 19.000 -0.036 0.000 0.794 22 A HN 0.300 nan 8.150 nan 0.000 0.465 23 I N 0.906 121.399 120.570 -0.128 0.000 2.363 23 I HA 0.047 4.218 4.170 0.001 0.000 0.292 23 I C 0.524 176.537 176.117 -0.173 0.000 1.075 23 I CA -0.112 61.090 61.300 -0.164 0.000 1.333 23 I CB 0.923 38.806 38.000 -0.196 0.000 1.415 23 I HN 0.292 nan 8.210 nan 0.000 0.502 24 E N 6.000 125.976 120.200 -0.373 0.000 1.858 24 E HA 0.012 4.363 4.350 0.001 0.000 0.278 24 E C -0.146 176.234 176.600 -0.366 0.000 1.172 24 E CA -0.292 55.657 56.400 -0.752 0.000 1.127 24 E CB 0.240 29.245 29.700 -1.159 0.000 1.084 24 E HN 0.646 nan 8.360 nan 0.000 0.455 25 S N 2.319 117.929 115.700 -0.150 0.000 3.729 25 S HA 0.292 4.762 4.470 0.001 0.000 0.235 25 S C -0.151 174.428 174.600 -0.035 0.000 1.367 25 S CA -0.866 57.285 58.200 -0.082 0.000 0.907 25 S CB 0.637 63.811 63.200 -0.044 0.000 1.471 25 S HN 0.134 nan 8.310 nan 0.000 0.476 26 V N 2.743 122.614 119.914 -0.070 0.000 2.495 26 V HA 0.457 4.578 4.120 0.001 0.000 0.298 26 V C 0.554 176.626 176.094 -0.037 0.000 1.031 26 V CA -1.129 61.155 62.300 -0.027 0.000 0.871 26 V CB 1.627 33.440 31.823 -0.017 0.000 0.988 26 V HN 0.825 nan 8.190 nan 0.000 0.432 27 R N 2.862 123.350 120.500 -0.019 0.000 2.585 27 R HA 0.117 4.458 4.340 0.001 0.000 0.275 27 R C -0.658 175.627 176.300 -0.024 0.000 1.018 27 R CA 0.522 56.609 56.100 -0.021 0.000 1.072 27 R CB 0.260 30.551 30.300 -0.015 0.000 0.953 27 R HN 0.804 nan 8.270 nan 0.000 0.419 28 D N 2.965 123.348 120.400 -0.027 0.000 2.323 28 D HA 0.093 4.733 4.640 0.001 0.000 0.242 28 D C -0.722 175.565 176.300 -0.022 0.000 1.347 28 D CA -0.485 53.499 54.000 -0.026 0.000 0.988 28 D CB 1.004 41.782 40.800 -0.037 0.000 1.314 28 D HN 0.523 nan 8.370 nan 0.000 0.564 29 D N 1.955 122.345 120.400 -0.016 0.000 2.392 29 D HA -0.004 4.636 4.640 0.001 0.000 0.228 29 D C 1.569 177.861 176.300 -0.013 0.000 1.003 29 D CA 0.363 54.355 54.000 -0.013 0.000 0.917 29 D CB 0.357 41.152 40.800 -0.009 0.000 0.890 29 D HN 0.494 nan 8.370 nan 0.000 0.532 30 A N -0.133 122.678 122.820 -0.016 0.000 2.218 30 A HA 0.022 4.342 4.320 0.001 0.000 0.209 30 A C 1.734 179.307 177.584 -0.018 0.000 1.168 30 A CA 0.555 52.583 52.037 -0.015 0.000 0.804 30 A CB 0.221 19.212 19.000 -0.015 0.000 0.834 30 A HN -0.046 nan 8.150 nan 0.000 0.482 31 K N -0.446 119.941 120.400 -0.021 0.000 2.469 31 K HA 0.419 4.740 4.320 0.001 0.000 0.204 31 K C 0.313 176.900 176.600 -0.022 0.000 1.047 31 K CA 0.387 56.659 56.287 -0.024 0.000 1.072 31 K CB 0.891 33.371 32.500 -0.033 0.000 0.863 31 K HN 0.334 nan 8.250 nan 0.000 0.530 32 A N 1.138 123.948 122.820 -0.016 0.000 2.498 32 A HA 0.451 4.771 4.320 0.001 0.000 0.239 32 A C 0.222 177.801 177.584 -0.008 0.000 1.068 32 A CA 0.266 52.296 52.037 -0.011 0.000 0.766 32 A CB 0.151 19.147 19.000 -0.006 0.000 1.003 32 A HN 0.285 nan 8.150 nan 0.000 0.497 33 S N 0.158 115.855 115.700 -0.004 0.000 2.615 33 S HA 0.362 4.833 4.470 0.001 0.000 0.269 33 S C 0.362 174.970 174.600 0.012 0.000 1.161 33 S CA 0.055 58.255 58.200 -0.000 0.000 0.817 33 S CB 0.938 64.133 63.200 -0.008 0.000 1.131 33 S HN 0.742 nan 8.310 nan 0.000 0.467 34 E N 0.104 120.316 120.200 0.019 0.000 2.267 34 E HA -0.178 4.173 4.350 0.001 0.000 0.197 34 E C 0.579 177.219 176.600 0.067 0.000 0.998 34 E CA 1.669 58.093 56.400 0.040 0.000 0.830 34 E CB -0.079 29.643 29.700 0.037 0.000 0.751 34 E HN 0.596 nan 8.360 nan 0.000 0.491 35 D N -0.835 119.583 120.400 0.030 0.000 2.301 35 D HA 0.042 4.683 4.640 0.001 0.000 0.206 35 D C 0.035 176.306 176.300 -0.050 0.000 0.979 35 D CA 0.675 54.668 54.000 -0.011 0.000 0.874 35 D CB 0.660 41.422 40.800 -0.063 0.000 0.968 35 D HN 0.126 nan 8.370 nan 0.000 0.510 36 A N 1.242 124.050 122.820 -0.020 0.000 3.159 36 A HA 0.420 4.741 4.320 0.001 0.000 0.330 36 A C -1.941 175.642 177.584 -0.001 0.000 1.032 36 A CA -1.057 50.966 52.037 -0.023 0.000 0.841 36 A CB 1.015 19.990 19.000 -0.042 0.000 1.093 36 A HN -0.190 nan 8.150 nan 0.000 0.478 37 P HA -0.199 nan 4.420 nan 0.000 0.217 37 P C 1.170 178.473 177.300 0.004 0.000 1.158 37 P CA 2.479 65.590 63.100 0.018 0.000 0.887 37 P CB 0.154 31.873 31.700 0.032 0.000 0.792 38 V N -6.313 113.599 119.914 -0.002 0.000 3.085 38 V HA 0.719 4.839 4.120 0.001 0.000 0.345 38 V C 0.387 176.468 176.094 -0.021 0.000 1.397 38 V CA 0.027 62.320 62.300 -0.011 0.000 1.165 38 V CB -0.251 31.565 31.823 -0.011 0.000 1.153 38 V HN 0.329 nan 8.190 nan 0.000 0.495 39 G N 1.320 110.105 108.800 -0.025 0.000 2.612 39 G HA2 -0.027 3.934 3.960 0.001 0.000 0.686 39 G HA3 -0.027 3.934 3.960 0.001 0.000 0.686 39 G C -2.142 172.728 174.900 -0.050 0.000 1.274 39 G CA -0.166 44.911 45.100 -0.038 0.000 0.849 39 G HN 0.254 nan 8.290 nan 0.000 0.595 40 P HA 0.094 nan 4.420 nan 0.000 0.224 40 P C 2.028 179.280 177.300 -0.080 0.000 1.157 40 P CA 1.816 64.874 63.100 -0.070 0.000 0.799 40 P CB -0.056 31.602 31.700 -0.071 0.000 0.809 41 G N 1.829 110.573 108.800 -0.092 0.000 2.587 41 G HA2 -0.205 3.756 3.960 0.001 0.000 0.217 41 G HA3 -0.205 3.756 3.960 0.001 0.000 0.217 41 G C -0.752 174.097 174.900 -0.085 0.000 1.240 41 G CA 1.274 46.308 45.100 -0.111 0.000 0.794 41 G HN 0.237 nan 8.290 nan 0.000 0.580 42 P HA -0.104 nan 4.420 nan 0.000 0.216 42 P C 1.824 179.093 177.300 -0.052 0.000 1.150 42 P CA 1.457 64.530 63.100 -0.045 0.000 0.837 42 P CB -0.029 31.656 31.700 -0.026 0.000 0.786 43 R N 1.220 121.689 120.500 -0.052 0.000 2.083 43 R HA -0.161 4.180 4.340 0.001 0.000 0.237 43 R C 2.266 178.524 176.300 -0.070 0.000 1.137 43 R CA 2.776 58.843 56.100 -0.054 0.000 0.951 43 R CB -1.749 28.511 30.300 -0.067 0.000 0.851 43 R HN 0.078 nan 8.270 nan 0.000 0.434 44 K N -0.115 120.244 120.400 -0.069 0.000 2.288 44 K HA 0.218 4.539 4.320 0.001 0.000 0.201 44 K C 2.152 178.728 176.600 -0.040 0.000 1.048 44 K CA 1.258 57.514 56.287 -0.051 0.000 0.956 44 K CB -0.767 31.704 32.500 -0.048 0.000 0.746 44 K HN 0.500 nan 8.250 nan 0.000 0.461 45 A N 0.482 123.262 122.820 -0.068 0.000 1.929 45 A HA 0.162 4.483 4.320 0.001 0.000 0.216 45 A C 2.300 179.831 177.584 -0.088 0.000 1.176 45 A CA 1.378 53.376 52.037 -0.065 0.000 0.628 45 A CB -0.306 18.649 19.000 -0.076 0.000 0.816 45 A HN 0.436 nan 8.150 nan 0.000 0.444 46 L N 0.585 121.708 121.223 -0.166 0.000 1.970 46 L HA -0.200 4.140 4.340 0.001 0.000 0.212 46 L C 1.624 178.127 176.870 -0.611 0.000 1.071 46 L CA 2.620 57.236 54.840 -0.373 0.000 0.751 46 L CB -0.902 40.970 42.059 -0.311 0.000 0.889 46 L HN 0.358 nan 8.230 nan 0.000 0.432 47 D N -1.684 118.498 120.400 -0.365 0.000 2.182 47 D HA -0.275 4.366 4.640 0.001 0.000 0.201 47 D C 2.047 178.287 176.300 -0.101 0.000 0.986 47 D CA 1.598 55.473 54.000 -0.208 0.000 0.847 47 D CB -0.322 40.472 40.800 -0.011 0.000 0.942 47 D HN 0.560 nan 8.370 nan 0.000 0.467 48 Y N 0.693 120.886 120.300 -0.179 0.000 2.224 48 Y HA -0.213 4.337 4.550 0.001 0.000 0.289 48 Y C 2.153 177.958 175.900 -0.159 0.000 1.146 48 Y CA 1.274 59.300 58.100 -0.123 0.000 1.182 48 Y CB 0.005 38.407 38.460 -0.098 0.000 0.983 48 Y HN -0.159 nan 8.280 nan 0.000 0.524 49 M N -0.954 118.591 119.600 -0.092 0.000 2.099 49 M HA -0.214 4.267 4.480 0.001 0.000 0.262 49 M C 1.930 178.121 176.300 -0.182 0.000 1.067 49 M CA 1.525 56.706 55.300 -0.197 0.000 1.124 49 M CB -1.667 30.825 32.600 -0.180 0.000 1.353 49 M HN 0.324 nan 8.290 nan 0.000 0.410 50 Y N 1.302 121.481 120.300 -0.201 0.000 2.151 50 Y HA -0.206 4.345 4.550 0.001 0.000 0.284 50 Y C 2.437 178.003 175.900 -0.557 0.000 1.166 50 Y CA 1.059 58.935 58.100 -0.372 0.000 1.163 50 Y CB -1.507 36.815 38.460 -0.231 0.000 0.974 50 Y HN 0.425 nan 8.280 nan 0.000 0.511 51 E N 0.143 120.234 120.200 -0.181 0.000 2.051 51 E HA -0.167 4.183 4.350 0.001 0.000 0.192 51 E C 2.219 178.710 176.600 -0.182 0.000 0.991 51 E CA 1.668 57.974 56.400 -0.157 0.000 0.799 51 E CB -0.477 29.128 29.700 -0.158 0.000 0.748 51 E HN 0.650 nan 8.360 nan 0.000 0.449 52 I N -1.193 119.195 120.570 -0.303 0.000 2.493 52 I HA -0.088 4.082 4.170 0.001 0.000 0.254 52 I C 2.452 178.570 176.117 0.001 0.000 1.160 52 I CA 1.122 62.300 61.300 -0.203 0.000 1.445 52 I CB -0.331 37.473 38.000 -0.327 0.000 1.086 52 I HN -0.095 nan 8.210 nan 0.000 0.433 53 A N 1.695 124.503 122.820 -0.020 0.000 1.877 53 A HA -0.219 4.102 4.320 0.001 0.000 0.216 53 A C 2.106 179.842 177.584 0.254 0.000 1.186 53 A CA 2.063 54.252 52.037 0.254 0.000 0.620 53 A CB -1.497 17.589 19.000 0.144 0.000 0.822 53 A HN 0.667 nan 8.150 nan 0.000 0.443 54 H N -1.124 118.031 119.070 0.143 0.000 2.353 54 H HA -0.114 4.443 4.556 0.001 0.000 0.300 54 H C 2.291 177.645 175.328 0.043 0.000 1.090 54 H CA 1.231 57.325 56.048 0.077 0.000 1.327 54 H CB -0.059 29.733 29.762 0.049 0.000 1.383 54 H HN 0.470 nan 8.280 nan 0.000 0.508 55 R N 1.188 121.774 120.500 0.143 0.000 2.152 55 R HA -0.139 4.201 4.340 0.001 0.000 0.232 55 R C 0.274 176.615 176.300 0.068 0.000 1.117 55 R CA 1.742 57.895 56.100 0.088 0.000 0.981 55 R CB 0.120 30.457 30.300 0.061 0.000 0.870 55 R HN 0.369 nan 8.270 nan 0.000 0.451 56 D N -1.237 119.211 120.400 0.080 0.000 2.369 56 D HA 0.150 4.790 4.640 0.001 0.000 0.211 56 D C 0.733 176.838 176.300 -0.324 0.000 1.077 56 D CA 0.879 54.862 54.000 -0.028 0.000 0.842 56 D CB 1.032 41.907 40.800 0.126 0.000 0.947 56 D HN 0.477 nan 8.370 nan 0.000 0.509 57 G N 0.626 109.298 108.800 -0.214 0.000 2.134 57 G HA2 -0.232 3.729 3.960 0.001 0.000 0.209 57 G HA3 -0.232 3.729 3.960 0.001 0.000 0.209 57 G C -0.120 174.587 174.900 -0.322 0.000 0.993 57 G CA -0.583 44.355 45.100 -0.270 0.000 0.669 57 G HN 0.166 nan 8.290 nan 0.000 0.519 58 F N 1.414 121.430 119.950 0.111 0.000 2.397 58 F HA 0.618 5.145 4.527 0.001 0.000 0.331 58 F C 1.224 177.104 175.800 0.133 0.000 1.090 58 F CA -0.500 57.553 58.000 0.089 0.000 1.065 58 F CB 1.288 40.331 39.000 0.071 0.000 1.184 58 F HN -0.051 nan 8.300 nan 0.000 0.499 59 T N 1.348 116.062 114.554 0.268 0.000 2.926 59 T HA 0.424 4.774 4.350 0.001 0.000 0.307 59 T C 0.234 175.039 174.700 0.174 0.000 1.059 59 T CA -0.234 61.971 62.100 0.175 0.000 1.122 59 T CB 0.444 69.365 68.868 0.087 0.000 0.972 59 T HN 0.756 nan 8.240 nan 0.000 0.545 60 T N -0.057 114.590 114.554 0.154 0.000 2.901 60 T HA 0.634 4.985 4.350 0.001 0.000 0.293 60 T C -1.245 173.421 174.700 -0.056 0.000 1.084 60 T CA -0.958 61.149 62.100 0.011 0.000 1.008 60 T CB 1.826 70.620 68.868 -0.123 0.000 1.170 60 T HN 0.732 nan 8.240 nan 0.000 0.509 61 H N -0.420 118.500 119.070 -0.251 0.000 2.947 61 H HA 0.567 5.123 4.556 0.001 0.000 0.354 61 H C -1.911 173.285 175.328 -0.220 0.000 1.085 61 H CA -0.372 55.545 56.048 -0.218 0.000 1.253 61 H CB 1.917 31.593 29.762 -0.144 0.000 1.757 61 H HN 0.870 nan 8.280 nan 0.000 0.523 62 D N 3.240 123.291 120.400 -0.581 0.000 2.192 62 D HA 0.427 5.068 4.640 0.001 0.000 0.246 62 D C -1.045 175.127 176.300 -0.214 0.000 1.042 62 D CA -0.610 53.234 54.000 -0.260 0.000 0.847 62 D CB 1.483 42.136 40.800 -0.245 0.000 1.186 62 D HN 0.269 nan 8.370 nan 0.000 0.461 63 V N 4.185 124.105 119.914 0.011 0.000 2.293 63 V HA 0.229 4.349 4.120 0.001 0.000 0.275 63 V C -0.260 175.813 176.094 -0.034 0.000 1.021 63 V CA -0.678 61.624 62.300 0.002 0.000 0.815 63 V CB 1.139 33.031 31.823 0.115 0.000 1.025 63 V HN 0.779 nan 8.190 nan 0.000 0.448 64 D N 2.867 123.188 120.400 -0.132 0.000 2.955 64 D HA -0.256 4.385 4.640 0.001 0.000 0.226 64 D C 0.700 176.989 176.300 -0.018 0.000 1.178 64 D CA 1.566 55.510 54.000 -0.093 0.000 0.808 64 D CB -1.323 39.474 40.800 -0.006 0.000 1.099 64 D HN 1.095 nan 8.370 nan 0.000 0.421 65 H N -3.497 115.607 119.070 0.057 0.000 2.921 65 H HA -0.249 4.308 4.556 0.001 0.000 0.281 65 H C 1.362 176.714 175.328 0.040 0.000 1.165 65 H CA 0.998 57.085 56.048 0.065 0.000 1.151 65 H CB -1.229 28.558 29.762 0.042 0.000 1.311 65 H HN 0.395 nan 8.280 nan 0.000 0.361 66 I N -1.290 119.350 120.570 0.116 0.000 3.883 66 I HA 0.514 4.684 4.170 0.001 0.000 0.305 66 I C 0.825 176.963 176.117 0.034 0.000 1.247 66 I CA 1.126 62.464 61.300 0.063 0.000 1.350 66 I CB 0.701 38.727 38.000 0.043 0.000 1.194 66 I HN 0.317 nan 8.210 nan 0.000 0.441 67 A N -0.992 121.872 122.820 0.075 0.000 2.612 67 A HA 0.828 5.148 4.320 0.001 0.000 0.293 67 A C -0.582 177.096 177.584 0.155 0.000 1.075 67 A CA -0.021 52.042 52.037 0.043 0.000 0.680 67 A CB 0.636 19.608 19.000 -0.047 0.000 1.279 67 A HN 0.317 nan 8.150 nan 0.000 0.411 68 G N -0.277 108.586 108.800 0.106 0.000 2.600 68 G HA2 0.727 4.687 3.960 0.001 0.000 0.293 68 G HA3 0.727 4.687 3.960 0.001 0.000 0.293 68 G C -1.257 173.713 174.900 0.116 0.000 1.408 68 G CA -0.285 44.972 45.100 0.261 0.000 0.782 68 G HN 1.364 nan 8.290 nan 0.000 0.482 69 R N -0.810 119.770 120.500 0.133 0.000 2.744 69 R HA 0.749 5.090 4.340 0.001 0.000 0.279 69 R C -1.352 174.953 176.300 0.008 0.000 0.977 69 R CA -0.922 55.180 56.100 0.003 0.000 0.906 69 R CB 1.819 32.054 30.300 -0.108 0.000 1.197 69 R HN 0.392 nan 8.270 nan 0.000 0.463 70 I N 2.060 122.618 120.570 -0.021 0.000 2.353 70 I HA 0.266 4.437 4.170 0.001 0.000 0.293 70 I C 0.028 176.067 176.117 -0.131 0.000 0.992 70 I CA -0.618 60.653 61.300 -0.049 0.000 1.268 70 I CB 1.745 39.715 38.000 -0.051 0.000 1.387 70 I HN 0.569 nan 8.210 nan 0.000 0.478 71 E N 4.772 124.912 120.200 -0.101 0.000 2.202 71 E HA 0.816 5.166 4.350 0.001 0.000 0.272 71 E C -0.742 175.783 176.600 -0.124 0.000 0.951 71 E CA -0.720 55.633 56.400 -0.077 0.000 0.813 71 E CB 2.412 32.095 29.700 -0.028 0.000 1.151 71 E HN 0.730 nan 8.360 nan 0.000 0.398 72 A N 1.319 124.006 122.820 -0.221 0.000 2.515 72 A HA 0.835 5.155 4.320 0.001 0.000 0.299 72 A C -0.083 177.132 177.584 -0.615 0.000 1.179 72 A CA -0.104 51.714 52.037 -0.365 0.000 0.656 72 A CB 0.876 19.534 19.000 -0.571 0.000 1.306 72 A HN 0.867 nan 8.150 nan 0.000 0.459 73 G N -1.875 106.230 108.800 -1.158 0.000 2.752 73 G HA2 0.556 4.517 3.960 0.001 0.000 0.234 73 G HA3 0.556 4.517 3.960 0.001 0.000 0.234 73 G C -0.190 174.513 174.900 -0.329 0.000 1.367 73 G CA 0.722 45.102 45.100 -1.201 0.000 0.879 73 G HN 2.683 nan 8.290 nan 0.000 0.563 74 K N -1.130 119.224 120.400 -0.078 0.000 2.562 74 K HA 1.101 5.422 4.320 0.001 0.000 0.267 74 K C 0.767 177.382 176.600 0.026 0.000 0.938 74 K CA 0.984 57.276 56.287 0.009 0.000 0.840 74 K CB 1.271 33.823 32.500 0.088 0.000 1.390 74 K HN 3.109 nan 8.250 nan 0.000 0.428 75 G N 0.158 108.959 108.800 0.001 0.000 2.347 75 G HA2 0.008 3.968 3.960 0.001 0.000 0.477 75 G HA3 0.008 3.968 3.960 0.001 0.000 0.477 75 G C 0.262 175.147 174.900 -0.026 0.000 1.349 75 G CA 0.076 45.176 45.100 -0.000 0.000 1.000 75 G HN 0.756 nan 8.290 nan 0.000 0.605 76 N N -0.317 118.371 118.700 -0.020 0.000 2.106 76 N HA -0.050 4.690 4.740 0.001 0.000 0.188 76 N C 0.016 175.498 175.510 -0.047 0.000 1.029 76 N CA 1.013 54.047 53.050 -0.028 0.000 0.848 76 N CB -0.010 38.468 38.487 -0.015 0.000 1.007 76 N HN 0.532 nan 8.380 nan 0.000 0.423 77 D N 0.718 121.091 120.400 -0.045 0.000 2.341 77 D HA 0.136 4.776 4.640 0.001 0.000 0.245 77 D C -0.420 175.808 176.300 -0.120 0.000 1.106 77 D CA -0.122 53.842 54.000 -0.060 0.000 0.905 77 D CB 2.030 42.809 40.800 -0.033 0.000 1.202 77 D HN -0.142 nan 8.370 nan 0.000 0.426 78 V N 2.471 122.285 119.914 -0.166 0.000 2.409 78 V HA 0.398 4.519 4.120 0.001 0.000 0.291 78 V C -1.000 174.958 176.094 -0.227 0.000 1.020 78 V CA -0.974 61.155 62.300 -0.284 0.000 0.848 78 V CB 1.330 32.816 31.823 -0.563 0.000 0.990 78 V HN 0.367 nan 8.190 nan 0.000 0.430 79 L N 7.387 128.463 121.223 -0.246 0.000 2.313 79 L HA 0.814 5.155 4.340 0.001 0.000 0.282 79 L C 0.550 177.258 176.870 -0.271 0.000 1.092 79 L CA 0.626 55.303 54.840 -0.271 0.000 0.831 79 L CB 0.657 42.491 42.059 -0.376 0.000 1.159 79 L HN 0.829 nan 8.230 nan 0.000 0.442 80 G N 6.544 115.221 108.800 -0.205 0.000 2.335 80 G HA2 0.580 4.540 3.960 0.001 0.000 0.316 80 G HA3 0.580 4.540 3.960 0.001 0.000 0.316 80 G C -0.704 174.087 174.900 -0.182 0.000 1.129 80 G CA -0.542 44.465 45.100 -0.156 0.000 0.899 80 G HN 0.665 nan 8.290 nan 0.000 0.448 81 I N 3.438 123.900 120.570 -0.181 0.000 2.390 81 I HA 0.230 4.400 4.170 0.001 0.000 0.283 81 I C -0.302 175.663 176.117 -0.254 0.000 1.016 81 I CA -0.493 60.734 61.300 -0.122 0.000 1.151 81 I CB 1.542 39.490 38.000 -0.087 0.000 1.293 81 I HN 0.117 nan 8.210 nan 0.000 0.458 82 L N 6.450 127.408 121.223 -0.442 0.000 2.264 82 L HA 0.549 4.890 4.340 0.001 0.000 0.289 82 L C -0.261 176.307 176.870 -0.502 0.000 1.044 82 L CA -0.482 53.841 54.840 -0.863 0.000 0.807 82 L CB 0.829 41.801 42.059 -1.813 0.000 1.192 82 L HN 0.682 nan 8.230 nan 0.000 0.425 83 C N 0.414 119.586 119.300 -0.213 0.000 3.154 83 C HA 0.637 5.097 4.460 0.001 0.000 0.312 83 C C -0.248 174.852 174.990 0.184 0.000 1.349 83 C CA -1.192 57.880 59.018 0.089 0.000 1.518 83 C CB 1.409 29.201 27.740 0.088 0.000 1.934 83 C HN 0.704 nan 8.230 nan 0.000 0.462 84 H N -0.571 118.652 119.070 0.254 0.000 2.469 84 H HA 0.533 5.090 4.556 0.001 0.000 0.342 84 H C 0.817 176.199 175.328 0.091 0.000 1.115 84 H CA -0.305 55.844 56.048 0.168 0.000 1.204 84 H CB 1.757 31.598 29.762 0.131 0.000 1.492 84 H HN 0.610 nan 8.280 nan 0.000 0.499 85 V N -0.771 119.239 119.914 0.159 0.000 3.528 85 V HA 0.107 4.228 4.120 0.001 0.000 0.294 85 V C 0.502 176.641 176.094 0.075 0.000 1.404 85 V CA -0.239 62.113 62.300 0.087 0.000 1.065 85 V CB -0.218 31.616 31.823 0.018 0.000 0.904 85 V HN 0.706 nan 8.190 nan 0.000 0.435 86 D N 0.399 120.866 120.400 0.110 0.000 2.354 86 D HA 0.514 5.155 4.640 0.001 0.000 0.247 86 D C -0.466 175.869 176.300 0.057 0.000 1.138 86 D CA -0.298 53.741 54.000 0.064 0.000 0.958 86 D CB 2.854 43.687 40.800 0.056 0.000 1.144 86 D HN 0.118 nan 8.370 nan 0.000 0.458 87 V N -0.302 119.642 119.914 0.051 0.000 3.188 87 V HA 0.271 4.391 4.120 0.001 0.000 0.305 87 V C -0.173 175.962 176.094 0.067 0.000 1.232 87 V CA -0.923 61.418 62.300 0.068 0.000 1.043 87 V CB 2.262 34.155 31.823 0.117 0.000 1.068 87 V HN 0.670 nan 8.190 nan 0.000 0.439 88 V N 0.611 120.566 119.914 0.069 0.000 2.997 88 V HA 0.703 4.823 4.120 0.001 0.000 0.311 88 V C -2.587 173.575 176.094 0.112 0.000 1.066 88 V CA -2.311 60.030 62.300 0.068 0.000 1.039 88 V CB 0.842 32.695 31.823 0.049 0.000 1.081 88 V HN 0.741 nan 8.190 nan 0.000 0.467 89 P HA 0.326 nan 4.420 nan 0.000 0.271 89 P C 0.423 177.784 177.300 0.100 0.000 1.218 89 P CA 0.313 63.494 63.100 0.135 0.000 0.780 89 P CB 1.028 32.784 31.700 0.093 0.000 0.901 90 A N 2.998 125.839 122.820 0.035 0.000 1.825 90 A HA 0.321 4.641 4.320 0.001 0.000 0.214 90 A C 1.463 179.158 177.584 0.186 0.000 1.206 90 A CA 2.110 54.138 52.037 -0.015 0.000 0.609 90 A CB -1.568 17.097 19.000 -0.558 0.000 0.851 90 A HN 0.718 nan 8.150 nan 0.000 0.445 91 G N -0.298 108.572 108.800 0.116 0.000 2.669 91 G HA2 -0.021 3.939 3.960 0.001 0.000 0.250 91 G HA3 -0.021 3.939 3.960 0.001 0.000 0.250 91 G C -0.374 174.651 174.900 0.210 0.000 1.247 91 G CA 0.893 46.080 45.100 0.144 0.000 0.958 91 G HN 1.487 nan 8.290 nan 0.000 0.559 92 D N -0.785 119.751 120.400 0.226 0.000 2.692 92 D HA 0.550 5.190 4.640 0.001 0.000 0.303 92 D C 0.310 176.670 176.300 0.101 0.000 1.278 92 D CA 0.285 54.415 54.000 0.217 0.000 0.852 92 D CB 0.908 41.781 40.800 0.122 0.000 1.375 92 D HN 1.541 nan 8.370 nan 0.000 0.453 93 G N 0.067 108.883 108.800 0.028 0.000 4.126 93 G HA2 0.354 4.314 3.960 0.001 0.000 0.282 93 G HA3 0.354 4.314 3.960 0.001 0.000 0.282 93 G C -0.533 174.419 174.900 0.087 0.000 1.221 93 G CA -0.772 44.372 45.100 0.073 0.000 1.527 93 G HN 0.234 nan 8.290 nan 0.000 0.612 94 W N 0.547 121.834 121.300 -0.021 0.000 2.477 94 W HA 0.014 4.674 4.660 0.001 0.000 0.339 94 W C 0.638 177.143 176.519 -0.023 0.000 1.195 94 W CA 0.184 57.513 57.345 -0.028 0.000 1.324 94 W CB 0.810 30.242 29.460 -0.048 0.000 1.170 94 W HN 0.334 nan 8.180 nan 0.000 0.570 95 D N 1.132 121.655 120.400 0.205 0.000 2.358 95 D HA 0.051 4.692 4.640 0.001 0.000 0.224 95 D C 0.321 176.699 176.300 0.131 0.000 1.123 95 D CA 0.506 54.575 54.000 0.114 0.000 0.833 95 D CB 0.370 41.190 40.800 0.032 0.000 0.946 95 D HN 0.219 nan 8.370 nan 0.000 0.505 96 S N -0.366 115.454 115.700 0.200 0.000 2.627 96 S HA 0.112 4.582 4.470 0.001 0.000 0.268 96 S C -1.591 173.061 174.600 0.087 0.000 1.130 96 S CA -0.968 57.320 58.200 0.147 0.000 0.819 96 S CB 0.898 64.207 63.200 0.181 0.000 1.100 96 S HN 0.010 nan 8.310 nan 0.000 0.465 97 N N 1.954 120.652 118.700 -0.002 0.000 2.401 97 N HA 0.353 5.094 4.740 0.001 0.000 0.255 97 N C -1.338 173.994 175.510 -0.298 0.000 1.110 97 N CA -2.238 50.745 53.050 -0.112 0.000 0.949 97 N CB 1.117 39.578 38.487 -0.043 0.000 1.110 97 N HN 0.424 nan 8.380 nan 0.000 0.490 98 P HA -0.156 nan 4.420 nan 0.000 0.220 98 P C -0.170 176.539 177.300 -0.985 0.000 1.144 98 P CA 1.330 63.599 63.100 -1.385 0.000 0.800 98 P CB 0.041 30.413 31.700 -2.214 0.000 0.772 99 F N -0.531 119.247 119.950 -0.286 0.000 2.764 99 F HA 0.295 4.823 4.527 0.000 0.000 0.310 99 F C 0.503 176.231 175.800 -0.119 0.000 1.124 99 F CA -0.435 57.455 58.000 -0.183 0.000 1.252 99 F CB 0.270 39.169 39.000 -0.168 0.000 1.010 99 F HN -0.212 nan 8.300 nan 0.000 0.518 100 E N 2.617 122.823 120.200 0.010 0.000 2.518 100 E HA 0.215 4.565 4.350 0.001 0.000 0.240 100 E C -2.538 174.066 176.600 0.008 0.000 0.996 100 E CA -2.110 54.301 56.400 0.017 0.000 0.768 100 E CB 1.268 30.978 29.700 0.016 0.000 1.329 100 E HN -0.105 nan 8.360 nan 0.000 0.408 101 P HA -0.073 nan 4.420 nan 0.000 0.260 101 P C -0.238 177.083 177.300 0.035 0.000 1.172 101 P CA 0.154 63.271 63.100 0.028 0.000 0.760 101 P CB 0.727 32.447 31.700 0.033 0.000 0.773 102 V N 5.235 125.176 119.914 0.044 0.000 2.347 102 V HA 0.201 4.322 4.120 0.001 0.000 0.280 102 V C 0.695 176.813 176.094 0.039 0.000 1.021 102 V CA -0.737 61.587 62.300 0.039 0.000 0.847 102 V CB 1.597 33.443 31.823 0.039 0.000 0.990 102 V HN 0.484 nan 8.190 nan 0.000 0.444 103 V N 4.937 124.873 119.914 0.037 0.000 2.532 103 V HA 0.904 5.025 4.120 0.001 0.000 0.295 103 V C 0.232 176.341 176.094 0.025 0.000 1.041 103 V CA 0.340 62.661 62.300 0.035 0.000 0.926 103 V CB 1.889 33.739 31.823 0.046 0.000 0.992 103 V HN 1.004 nan 8.190 nan 0.000 0.457 104 T N 1.887 116.451 114.554 0.016 0.000 2.807 104 T HA 0.562 4.913 4.350 0.001 0.000 0.277 104 T C 0.597 175.306 174.700 0.015 0.000 1.006 104 T CA -0.007 62.096 62.100 0.006 0.000 1.006 104 T CB 1.479 70.335 68.868 -0.020 0.000 1.274 104 T HN 0.610 nan 8.240 nan 0.000 0.569 105 E N 0.320 120.526 120.200 0.011 0.000 2.150 105 E HA -0.036 4.314 4.350 0.001 0.000 0.193 105 E C 1.367 177.984 176.600 0.028 0.000 0.985 105 E CA 1.267 57.681 56.400 0.024 0.000 0.814 105 E CB -0.005 29.705 29.700 0.017 0.000 0.752 105 E HN 0.593 nan 8.360 nan 0.000 0.466 106 D N -0.728 119.678 120.400 0.010 0.000 2.388 106 D HA 0.234 4.875 4.640 0.001 0.000 0.208 106 D C 0.363 176.666 176.300 0.006 0.000 1.035 106 D CA 0.479 54.486 54.000 0.011 0.000 0.875 106 D CB 0.763 41.562 40.800 -0.001 0.000 0.984 106 D HN 0.120 nan 8.370 nan 0.000 0.508 107 A N 0.628 123.447 122.820 -0.001 0.000 2.583 107 A HA 0.663 4.983 4.320 0.001 0.000 0.289 107 A C -1.553 176.046 177.584 0.025 0.000 1.151 107 A CA -0.697 51.350 52.037 0.017 0.000 0.695 107 A CB 1.669 20.686 19.000 0.029 0.000 1.290 107 A HN 0.098 nan 8.150 nan 0.000 0.419 108 I N -0.368 120.235 120.570 0.056 0.000 2.509 108 I HA 0.778 4.949 4.170 0.001 0.000 0.293 108 I C -1.625 174.568 176.117 0.126 0.000 1.020 108 I CA -0.904 60.436 61.300 0.067 0.000 1.088 108 I CB 1.379 39.408 38.000 0.049 0.000 1.267 108 I HN 0.504 nan 8.210 nan 0.000 0.430 109 I N 7.629 128.272 120.570 0.121 0.000 2.389 109 I HA 0.871 5.041 4.170 0.001 0.000 0.288 109 I C -0.243 175.982 176.117 0.180 0.000 0.999 109 I CA -0.374 61.039 61.300 0.188 0.000 1.129 109 I CB 1.613 39.702 38.000 0.149 0.000 1.288 109 I HN 0.880 nan 8.210 nan 0.000 0.444 110 A N 4.493 127.451 122.820 0.230 0.000 2.574 110 A HA 0.537 4.858 4.320 0.001 0.000 0.298 110 A C -1.009 176.648 177.584 0.122 0.000 0.987 110 A CA -0.899 51.203 52.037 0.107 0.000 0.678 110 A CB 0.897 19.898 19.000 0.002 0.000 1.296 110 A HN 0.664 nan 8.150 nan 0.000 0.420 111 R N 0.781 121.203 120.500 -0.129 0.000 2.480 111 R HA 0.419 4.760 4.340 0.001 0.000 0.303 111 R C 1.325 177.623 176.300 -0.002 0.000 0.985 111 R CA 2.150 58.208 56.100 -0.071 0.000 1.051 111 R CB -0.395 29.636 30.300 -0.449 0.000 0.935 111 R HN 2.563 nan 8.270 nan 0.000 0.410 112 G N 2.234 111.073 108.800 0.064 0.000 2.195 112 G HA2 -0.359 3.601 3.960 0.001 0.000 0.224 112 G HA3 -0.359 3.601 3.960 0.001 0.000 0.224 112 G C 0.887 175.825 174.900 0.065 0.000 0.990 112 G CA 0.635 45.774 45.100 0.065 0.000 0.639 112 G HN 0.780 nan 8.290 nan 0.000 0.514 113 T N -0.770 113.825 114.554 0.068 0.000 2.684 113 T HA -0.020 4.330 4.350 0.001 0.000 0.267 113 T C 2.189 176.912 174.700 0.040 0.000 1.036 113 T CA 1.729 63.865 62.100 0.059 0.000 1.148 113 T CB -0.136 68.776 68.868 0.074 0.000 0.863 113 T HN 0.210 nan 8.240 nan 0.000 0.436 114 L N 2.013 123.247 121.223 0.017 0.000 2.102 114 L HA 0.315 4.656 4.340 0.001 0.000 0.202 114 L C 0.740 177.634 176.870 0.041 0.000 1.076 114 L CA 1.324 56.165 54.840 0.001 0.000 0.761 114 L CB -0.582 41.444 42.059 -0.054 0.000 0.921 114 L HN 0.665 nan 8.230 nan 0.000 0.444 115 D N -2.234 118.195 120.400 0.048 0.000 2.855 115 D HA 0.111 4.751 4.640 0.001 0.000 0.241 115 D C -0.672 175.673 176.300 0.076 0.000 1.277 115 D CA -0.204 53.838 54.000 0.070 0.000 0.918 115 D CB 2.229 43.064 40.800 0.058 0.000 1.462 115 D HN -0.124 nan 8.370 nan 0.000 0.559 116 D N 2.017 122.480 120.400 0.104 0.000 2.540 116 D HA 0.126 4.767 4.640 0.001 0.000 0.229 116 D C 1.223 177.603 176.300 0.133 0.000 1.250 116 D CA -0.011 54.071 54.000 0.136 0.000 0.817 116 D CB 0.664 41.582 40.800 0.197 0.000 1.060 116 D HN 0.320 nan 8.370 nan 0.000 0.508 117 K N -0.214 120.249 120.400 0.105 0.000 2.026 117 K HA -0.019 4.301 4.320 0.001 0.000 0.208 117 K C 2.031 178.698 176.600 0.111 0.000 1.048 117 K CA 1.161 57.505 56.287 0.094 0.000 0.929 117 K CB -0.162 32.375 32.500 0.062 0.000 0.713 117 K HN 0.130 nan 8.250 nan 0.000 0.439 118 G N 2.441 111.303 108.800 0.104 0.000 2.628 118 G HA2 -0.243 3.717 3.960 0.001 0.000 0.217 118 G HA3 -0.243 3.717 3.960 0.001 0.000 0.217 118 G C -1.015 173.982 174.900 0.161 0.000 1.240 118 G CA 0.968 46.135 45.100 0.112 0.000 0.792 118 G HN 0.234 nan 8.290 nan 0.000 0.593 119 P HA -0.034 nan 4.420 nan 0.000 0.218 119 P C 2.009 179.462 177.300 0.255 0.000 1.148 119 P CA 1.752 65.013 63.100 0.267 0.000 0.822 119 P CB -0.262 31.605 31.700 0.278 0.000 0.784 120 T N -0.243 114.423 114.554 0.187 0.000 2.708 120 T HA -0.103 4.247 4.350 0.001 0.000 0.266 120 T C 1.721 176.523 174.700 0.171 0.000 1.037 120 T CA 1.010 63.195 62.100 0.142 0.000 1.146 120 T CB -0.669 68.266 68.868 0.112 0.000 0.865 120 T HN -0.011 nan 8.240 nan 0.000 0.435 121 I N 1.716 122.413 120.570 0.212 0.000 2.315 121 I HA -0.097 4.073 4.170 0.001 0.000 0.248 121 I C 2.952 179.310 176.117 0.401 0.000 1.117 121 I CA 0.996 62.489 61.300 0.321 0.000 1.404 121 I CB -1.629 36.551 38.000 0.301 0.000 1.071 121 I HN 0.182 nan 8.210 nan 0.000 0.419 122 A N 1.271 124.283 122.820 0.318 0.000 1.873 122 A HA -0.217 4.104 4.320 0.001 0.000 0.218 122 A C 2.620 180.346 177.584 0.237 0.000 1.193 122 A CA 2.488 54.733 52.037 0.346 0.000 0.629 122 A CB -0.934 18.305 19.000 0.397 0.000 0.826 122 A HN 0.420 nan 8.150 nan 0.000 0.447 123 A N -1.658 121.155 122.820 -0.012 0.000 1.883 123 A HA -0.161 4.160 4.320 0.001 0.000 0.217 123 A C 2.204 179.677 177.584 -0.186 0.000 1.186 123 A CA 1.801 53.517 52.037 -0.535 0.000 0.624 123 A CB -0.929 17.693 19.000 -0.630 0.000 0.822 123 A HN 0.810 nan 8.150 nan 0.000 0.444 124 Y N -1.385 118.839 120.300 -0.126 0.000 2.181 124 Y HA -0.252 4.299 4.550 0.001 0.000 0.288 124 Y C 2.172 177.973 175.900 -0.165 0.000 1.146 124 Y CA 2.030 60.039 58.100 -0.151 0.000 1.164 124 Y CB -0.367 38.038 38.460 -0.092 0.000 0.982 124 Y HN 0.367 nan 8.280 nan 0.000 0.515 125 Y N -0.252 120.093 120.300 0.074 0.000 2.293 125 Y HA -0.177 4.374 4.550 0.001 0.000 0.291 125 Y C 2.590 178.414 175.900 -0.127 0.000 1.137 125 Y CA 1.194 59.272 58.100 -0.037 0.000 1.202 125 Y CB -0.769 37.746 38.460 0.092 0.000 0.990 125 Y HN 0.271 nan 8.280 nan 0.000 0.537 126 A N 0.127 122.966 122.820 0.032 0.000 1.908 126 A HA -0.186 4.134 4.320 0.001 0.000 0.218 126 A C 2.201 179.763 177.584 -0.038 0.000 1.181 126 A CA 1.871 53.919 52.037 0.019 0.000 0.627 126 A CB -0.968 18.084 19.000 0.087 0.000 0.818 126 A HN 0.476 nan 8.150 nan 0.000 0.445 127 I N -0.825 119.654 120.570 -0.151 0.000 2.163 127 I HA -0.227 3.943 4.170 0.001 0.000 0.240 127 I C 2.562 178.624 176.117 -0.093 0.000 1.081 127 I CA 1.461 62.683 61.300 -0.131 0.000 1.353 127 I CB -0.318 37.449 38.000 -0.390 0.000 1.054 127 I HN 0.191 nan 8.210 nan 0.000 0.407 128 K N 1.509 121.687 120.400 -0.369 0.000 2.089 128 K HA -0.220 4.101 4.320 0.001 0.000 0.210 128 K C 1.974 178.546 176.600 -0.047 0.000 1.048 128 K CA 2.003 58.174 56.287 -0.194 0.000 0.926 128 K CB -0.516 31.634 32.500 -0.584 0.000 0.714 128 K HN 0.322 nan 8.250 nan 0.000 0.448 129 I N 0.791 121.273 120.570 -0.145 0.000 2.202 129 I HA -0.284 3.887 4.170 0.001 0.000 0.242 129 I C 2.314 178.449 176.117 0.030 0.000 1.091 129 I CA 0.816 62.027 61.300 -0.149 0.000 1.368 129 I CB -0.231 37.605 38.000 -0.272 0.000 1.058 129 I HN 0.043 nan 8.210 nan 0.000 0.410 130 L N 0.271 121.538 121.223 0.074 0.000 2.127 130 L HA -0.228 4.113 4.340 0.001 0.000 0.211 130 L C 2.531 179.438 176.870 0.061 0.000 1.089 130 L CA 1.264 56.137 54.840 0.054 0.000 0.757 130 L CB -0.555 41.539 42.059 0.059 0.000 0.899 130 L HN 0.250 nan 8.230 nan 0.000 0.434 131 E N 0.321 120.676 120.200 0.259 0.000 2.152 131 E HA -0.196 4.155 4.350 0.001 0.000 0.192 131 E C 1.651 178.346 176.600 0.158 0.000 0.983 131 E CA 1.013 57.600 56.400 0.313 0.000 0.818 131 E CB -0.004 29.973 29.700 0.461 0.000 0.758 131 E HN 0.297 nan 8.360 nan 0.000 0.467 132 D N -0.420 120.064 120.400 0.139 0.000 2.263 132 D HA -0.115 4.526 4.640 0.001 0.000 0.208 132 D C 1.073 177.435 176.300 0.103 0.000 0.971 132 D CA 0.901 54.983 54.000 0.137 0.000 0.867 132 D CB -0.060 40.875 40.800 0.224 0.000 0.929 132 D HN 0.351 nan 8.370 nan 0.000 0.492 133 M N -0.659 118.987 119.600 0.076 0.000 2.568 133 M HA 0.077 4.558 4.480 0.001 0.000 0.226 133 M C 0.973 177.277 176.300 0.006 0.000 1.148 133 M CA 0.474 55.801 55.300 0.044 0.000 1.007 133 M CB -0.727 31.898 32.600 0.042 0.000 1.651 133 M HN 0.125 nan 8.290 nan 0.000 0.488 134 N N 0.674 119.384 118.700 0.017 0.000 2.701 134 N HA -0.135 4.605 4.740 0.001 0.000 0.250 134 N C 0.116 175.589 175.510 -0.063 0.000 1.046 134 N CA 0.730 53.784 53.050 0.006 0.000 0.733 134 N CB -2.426 36.072 38.487 0.018 0.000 0.973 134 N HN 0.289 nan 8.380 nan 0.000 0.541 135 V N -0.089 119.719 119.914 -0.178 0.000 2.999 135 V HA 0.180 4.301 4.120 0.001 0.000 0.307 135 V C 0.771 176.632 176.094 -0.388 0.000 1.084 135 V CA 0.347 62.452 62.300 -0.324 0.000 1.155 135 V CB 1.617 33.106 31.823 -0.558 0.000 0.975 135 V HN 0.693 nan 8.190 nan 0.000 0.490 136 D N 4.534 124.771 120.400 -0.272 0.000 2.494 136 D HA 0.132 4.773 4.640 0.001 0.000 0.217 136 D C -0.422 175.807 176.300 -0.119 0.000 1.153 136 D CA -0.338 53.579 54.000 -0.139 0.000 0.954 136 D CB -0.059 40.700 40.800 -0.067 0.000 1.034 136 D HN 0.398 nan 8.370 nan 0.000 0.518 137 W N 3.507 124.803 121.300 -0.006 0.000 2.264 137 W HA 0.087 4.748 4.660 0.001 0.000 0.331 137 W C 1.588 178.087 176.519 -0.033 0.000 1.364 137 W CA -0.738 56.593 57.345 -0.023 0.000 1.253 137 W CB 0.826 30.283 29.460 -0.006 0.000 1.215 137 W HN 0.116 nan 8.180 nan 0.000 0.561 138 K N 2.381 122.907 120.400 0.209 0.000 2.352 138 K HA 0.130 4.450 4.320 0.001 0.000 0.194 138 K C -0.101 176.551 176.600 0.087 0.000 1.038 138 K CA 0.613 56.964 56.287 0.106 0.000 1.023 138 K CB 0.300 32.825 32.500 0.041 0.000 0.840 138 K HN 0.445 nan 8.250 nan 0.000 0.519 139 K N 0.227 120.693 120.400 0.109 0.000 2.508 139 K HA 0.395 4.716 4.320 0.001 0.000 0.260 139 K C -0.495 176.055 176.600 -0.084 0.000 0.949 139 K CA -0.792 55.498 56.287 0.004 0.000 0.834 139 K CB 2.311 34.794 32.500 -0.028 0.000 1.365 139 K HN -0.192 nan 8.250 nan 0.000 0.437 140 R N 0.870 121.279 120.500 -0.151 0.000 2.679 140 R HA 0.362 4.702 4.340 0.001 0.000 0.269 140 R C -0.211 175.903 176.300 -0.309 0.000 1.076 140 R CA -0.028 55.925 56.100 -0.245 0.000 1.160 140 R CB 0.347 30.522 30.300 -0.207 0.000 1.054 140 R HN 0.460 nan 8.270 nan 0.000 0.507 141 I N 1.565 121.931 120.570 -0.341 0.000 2.447 141 I HA 0.213 4.384 4.170 0.001 0.000 0.287 141 I C -0.548 175.504 176.117 -0.108 0.000 1.023 141 I CA -0.511 60.605 61.300 -0.308 0.000 1.083 141 I CB 1.837 39.588 38.000 -0.415 0.000 1.245 141 I HN 0.523 nan 8.210 nan 0.000 0.434 142 H N 6.707 125.654 119.070 -0.204 0.000 2.541 142 H HA 0.372 4.929 4.556 0.001 0.000 0.316 142 H C -0.388 174.831 175.328 -0.182 0.000 1.043 142 H CA -0.763 55.192 56.048 -0.155 0.000 1.232 142 H CB 1.927 31.647 29.762 -0.070 0.000 1.406 142 H HN 0.454 nan 8.280 nan 0.000 0.469 143 M N 5.726 125.281 119.600 -0.075 0.000 2.108 143 M HA 0.303 4.784 4.480 0.001 0.000 0.347 143 M C -1.329 174.903 176.300 -0.114 0.000 1.326 143 M CA -0.313 54.917 55.300 -0.116 0.000 1.126 143 M CB -0.050 32.480 32.600 -0.117 0.000 1.606 143 M HN 0.530 nan 8.290 nan 0.000 0.462 144 I N 6.743 127.204 120.570 -0.182 0.000 2.339 144 I HA 0.364 4.534 4.170 0.001 0.000 0.290 144 I C -0.872 175.152 176.117 -0.156 0.000 0.994 144 I CA -0.580 60.567 61.300 -0.255 0.000 1.191 144 I CB 1.372 39.126 38.000 -0.411 0.000 1.343 144 I HN 0.649 nan 8.210 nan 0.000 0.458 145 I N 5.513 126.049 120.570 -0.057 0.000 2.382 145 I HA 0.474 4.644 4.170 0.001 0.000 0.286 145 I C 0.652 176.789 176.117 0.034 0.000 1.002 145 I CA -0.140 61.175 61.300 0.024 0.000 1.135 145 I CB 1.698 39.683 38.000 -0.026 0.000 1.288 145 I HN 0.611 nan 8.210 nan 0.000 0.448 146 G N 2.345 111.162 108.800 0.028 0.000 2.461 146 G HA2 0.544 4.505 3.960 0.001 0.000 0.329 146 G HA3 0.544 4.505 3.960 0.001 0.000 0.329 146 G C 0.406 175.227 174.900 -0.133 0.000 1.170 146 G CA -0.108 44.829 45.100 -0.271 0.000 0.935 146 G HN 0.607 nan 8.290 nan 0.000 0.492 147 T N -2.920 111.590 114.554 -0.073 0.000 3.041 147 T HA 0.158 4.508 4.350 0.001 0.000 0.276 147 T C -0.129 174.593 174.700 0.037 0.000 0.948 147 T CA -0.054 62.059 62.100 0.021 0.000 0.885 147 T CB 0.571 69.433 68.868 -0.010 0.000 1.175 147 T HN 0.365 nan 8.240 nan 0.000 0.529 148 D N 2.613 123.016 120.400 0.005 0.000 2.396 148 D HA 0.229 4.869 4.640 0.001 0.000 0.225 148 D C 1.194 177.493 176.300 -0.001 0.000 1.121 148 D CA -0.434 53.559 54.000 -0.012 0.000 0.853 148 D CB 1.588 42.358 40.800 -0.050 0.000 1.043 148 D HN 0.544 nan 8.370 nan 0.000 0.500 149 E N 2.388 122.559 120.200 -0.049 0.000 2.204 149 E HA -0.167 4.183 4.350 0.001 0.000 0.195 149 E C 0.825 177.355 176.600 -0.116 0.000 0.990 149 E CA 0.847 57.158 56.400 -0.148 0.000 0.821 149 E CB 0.064 29.690 29.700 -0.122 0.000 0.750 149 E HN 0.310 nan 8.360 nan 0.000 0.477 150 E N 0.956 121.116 120.200 -0.067 0.000 2.516 150 E HA 0.005 4.355 4.350 0.001 0.000 0.199 150 E C 0.236 176.802 176.600 -0.056 0.000 1.069 150 E CA 0.358 56.727 56.400 -0.051 0.000 0.876 150 E CB 0.082 29.764 29.700 -0.030 0.000 0.843 150 E HN 0.173 nan 8.360 nan 0.000 0.530 151 S N 0.897 116.544 115.700 -0.088 0.000 2.525 151 S HA 0.133 4.603 4.470 0.001 0.000 0.278 151 S C 0.152 174.650 174.600 -0.169 0.000 1.234 151 S CA -0.625 57.493 58.200 -0.137 0.000 1.058 151 S CB 0.832 63.885 63.200 -0.245 0.000 0.983 151 S HN -0.128 nan 8.310 nan 0.000 0.495 152 D N 3.363 123.713 120.400 -0.083 0.000 2.501 152 D HA 0.132 4.773 4.640 0.001 0.000 0.226 152 D C -0.469 175.944 176.300 0.188 0.000 1.198 152 D CA 0.013 54.039 54.000 0.043 0.000 0.830 152 D CB -0.223 40.654 40.800 0.129 0.000 1.014 152 D HN 0.824 nan 8.370 nan 0.000 0.496 153 W N 1.525 122.913 121.300 0.147 0.000 4.551 153 W HA -0.272 4.389 4.660 0.001 0.000 0.343 153 W C 0.454 177.024 176.519 0.084 0.000 1.269 153 W CA 0.043 57.487 57.345 0.165 0.000 0.799 153 W CB -2.044 27.460 29.460 0.074 0.000 2.352 153 W HN -0.101 nan 8.180 nan 0.000 1.462 154 K N -0.106 120.444 120.400 0.250 0.000 2.258 154 K HA 0.187 4.507 4.320 0.001 0.000 0.264 154 K C 0.968 177.661 176.600 0.154 0.000 1.007 154 K CA 0.012 56.395 56.287 0.160 0.000 0.941 154 K CB 0.576 33.157 32.500 0.134 0.000 0.966 154 K HN 0.050 nan 8.250 nan 0.000 0.480 155 c N 1.518 120.149 118.600 0.052 0.000 2.409 155 c HA -0.094 4.477 4.570 0.001 0.000 0.288 155 c C 2.370 176.580 174.090 0.201 0.000 1.395 155 c CA 0.710 57.105 56.329 0.111 0.000 1.792 155 c CB -1.055 41.490 42.510 0.057 0.000 1.847 155 c HN 0.834 nan 8.230 nan 0.000 0.534 156 T N 0.463 115.108 114.554 0.152 0.000 2.881 156 T HA -0.094 4.257 4.350 0.001 0.000 0.270 156 T C 0.454 175.247 174.700 0.155 0.000 1.068 156 T CA 1.108 63.284 62.100 0.127 0.000 1.131 156 T CB -0.347 68.572 68.868 0.085 0.000 0.871 156 T HN 0.565 nan 8.240 nan 0.000 0.479 157 D N 0.599 121.135 120.400 0.228 0.000 2.400 157 D HA 0.110 4.751 4.640 0.001 0.000 0.238 157 D C 1.188 177.598 176.300 0.184 0.000 1.157 157 D CA -0.099 54.023 54.000 0.203 0.000 0.889 157 D CB 0.506 41.466 40.800 0.266 0.000 1.199 157 D HN -0.052 nan 8.370 nan 0.000 0.436 158 R N 1.247 121.816 120.500 0.114 0.000 2.119 158 R HA -0.262 4.078 4.340 0.001 0.000 0.246 158 R C 1.998 178.339 176.300 0.069 0.000 1.146 158 R CA 1.584 57.731 56.100 0.079 0.000 0.962 158 R CB -0.743 29.591 30.300 0.058 0.000 0.863 158 R HN 0.631 nan 8.270 nan 0.000 0.442 159 Y N -0.694 119.578 120.300 -0.047 0.000 2.145 159 Y HA -0.191 4.359 4.550 0.001 0.000 0.286 159 Y C 1.469 177.216 175.900 -0.254 0.000 1.145 159 Y CA 1.924 59.908 58.100 -0.192 0.000 1.148 159 Y CB -0.279 37.980 38.460 -0.335 0.000 0.981 159 Y HN 0.066 nan 8.280 nan 0.000 0.507 160 F N 0.246 120.307 119.950 0.186 0.000 2.661 160 F HA 0.043 4.571 4.527 0.001 0.000 0.298 160 F C 1.965 177.774 175.800 0.016 0.000 1.137 160 F CA 0.739 58.798 58.000 0.098 0.000 1.454 160 F CB -0.366 38.760 39.000 0.210 0.000 1.103 160 F HN -0.074 nan 8.300 nan 0.000 0.577 161 K N -0.316 120.160 120.400 0.127 0.000 2.280 161 K HA -0.116 4.205 4.320 0.001 0.000 0.202 161 K C 1.754 178.362 176.600 0.012 0.000 1.047 161 K CA 1.850 58.182 56.287 0.074 0.000 0.942 161 K CB -0.208 32.325 32.500 0.054 0.000 0.739 161 K HN 0.387 nan 8.250 nan 0.000 0.457 162 T N -3.167 111.341 114.554 -0.076 0.000 2.992 162 T HA 0.137 4.488 4.350 0.001 0.000 0.255 162 T C 0.307 174.899 174.700 -0.181 0.000 0.938 162 T CA -0.540 61.498 62.100 -0.103 0.000 0.895 162 T CB 0.383 69.188 68.868 -0.104 0.000 1.221 162 T HN -0.196 nan 8.240 nan 0.000 0.512 163 E N 1.859 121.852 120.200 -0.346 0.000 2.250 163 E HA 0.397 4.748 4.350 0.001 0.000 0.265 163 E C -0.429 176.095 176.600 -0.126 0.000 1.033 163 E CA -0.640 55.499 56.400 -0.435 0.000 0.888 163 E CB 1.186 30.207 29.700 -1.132 0.000 1.151 163 E HN 0.506 nan 8.360 nan 0.000 0.412 164 E N 1.086 121.274 120.200 -0.020 0.000 2.384 164 E HA 0.020 4.370 4.350 0.001 0.000 0.266 164 E C -0.379 176.361 176.600 0.233 0.000 1.012 164 E CA -0.081 56.377 56.400 0.097 0.000 0.901 164 E CB 0.573 30.339 29.700 0.110 0.000 0.967 164 E HN 0.298 nan 8.360 nan 0.000 0.435 165 M N 6.292 126.007 119.600 0.192 0.000 2.188 165 M HA 0.254 4.735 4.480 0.001 0.000 0.354 165 M C -2.250 174.125 176.300 0.126 0.000 1.342 165 M CA -1.682 53.748 55.300 0.217 0.000 1.117 165 M CB 0.868 33.529 32.600 0.102 0.000 1.670 165 M HN 0.245 nan 8.290 nan 0.000 0.466 166 P HA 0.002 nan 4.420 nan 0.000 0.264 166 P C 0.350 177.682 177.300 0.054 0.000 1.193 166 P CA 0.121 63.243 63.100 0.037 0.000 0.763 166 P CB 0.670 32.382 31.700 0.019 0.000 0.810 167 T N 3.112 117.686 114.554 0.033 0.000 2.962 167 T HA 0.035 4.385 4.350 0.001 0.000 0.270 167 T C 0.527 175.295 174.700 0.114 0.000 1.088 167 T CA 0.921 63.090 62.100 0.116 0.000 1.127 167 T CB -0.765 68.150 68.868 0.078 0.000 0.883 167 T HN 0.415 nan 8.240 nan 0.000 0.493 168 L N -4.601 116.657 121.223 0.059 0.000 2.940 168 L HA 0.824 5.165 4.340 0.001 0.000 0.270 168 L C -0.269 176.635 176.870 0.056 0.000 1.030 168 L CA -0.924 53.976 54.840 0.101 0.000 0.928 168 L CB 1.311 43.428 42.059 0.096 0.000 1.506 168 L HN 0.132 nan 8.230 nan 0.000 0.405 169 G N -0.070 108.840 108.800 0.183 0.000 2.351 169 G HA2 0.410 4.371 3.960 0.001 0.000 0.279 169 G HA3 0.410 4.371 3.960 0.001 0.000 0.279 169 G C -2.549 172.592 174.900 0.401 0.000 1.297 169 G CA -0.084 45.104 45.100 0.147 0.000 0.886 169 G HN 1.165 nan 8.290 nan 0.000 0.493 170 F N 0.595 120.617 119.950 0.120 0.000 2.574 170 F HA 0.799 5.327 4.527 0.001 0.000 0.313 170 F C -0.425 175.350 175.800 -0.042 0.000 1.130 170 F CA -0.381 57.729 58.000 0.183 0.000 0.936 170 F CB 2.154 41.411 39.000 0.428 0.000 1.219 170 F HN 1.331 nan 8.300 nan 0.000 0.445 171 A N 7.850 130.196 122.820 -0.790 0.000 3.007 171 A HA 0.474 4.795 4.320 0.001 0.000 0.314 171 A C -2.356 174.844 177.584 -0.641 0.000 1.153 171 A CA -1.044 50.542 52.037 -0.751 0.000 0.780 171 A CB 0.084 18.719 19.000 -0.608 0.000 1.258 171 A HN 0.521 nan 8.150 nan 0.000 0.460 172 P HA -0.157 nan 4.420 nan 0.000 0.215 172 P C 0.943 178.171 177.300 -0.120 0.000 1.163 172 P CA 2.361 65.186 63.100 -0.458 0.000 0.894 172 P CB 0.088 31.657 31.700 -0.217 0.000 0.791 173 D N -0.987 119.397 120.400 -0.026 0.000 2.339 173 D HA 0.435 5.075 4.640 0.001 0.000 0.217 173 D C 1.002 177.354 176.300 0.086 0.000 1.050 173 D CA 0.306 54.337 54.000 0.053 0.000 0.856 173 D CB 0.043 40.895 40.800 0.087 0.000 0.922 173 D HN 0.430 nan 8.370 nan 0.000 0.518 174 A N -0.236 122.643 122.820 0.098 0.000 2.317 174 A HA 0.566 4.886 4.320 0.001 0.000 0.327 174 A C 0.883 178.498 177.584 0.052 0.000 1.178 174 A CA -0.044 52.081 52.037 0.147 0.000 0.817 174 A CB 1.381 20.579 19.000 0.329 0.000 1.189 174 A HN 0.224 nan 8.150 nan 0.000 0.489 175 E N 1.462 121.676 120.200 0.023 0.000 2.086 175 E HA 0.015 4.366 4.350 0.001 0.000 0.190 175 E C -0.561 175.821 176.600 -0.363 0.000 0.975 175 E CA 1.045 57.325 56.400 -0.200 0.000 0.813 175 E CB 0.028 29.558 29.700 -0.283 0.000 0.768 175 E HN 0.666 nan 8.360 nan 0.000 0.457 176 F N 1.833 121.853 119.950 0.116 0.000 2.739 176 F HA 0.349 4.877 4.527 0.001 0.000 0.345 176 F C -2.215 173.631 175.800 0.076 0.000 1.373 176 F CA -2.270 55.800 58.000 0.116 0.000 1.160 176 F CB 0.960 40.014 39.000 0.092 0.000 1.137 176 F HN -0.051 nan 8.300 nan 0.000 0.524 177 P HA -0.092 nan 4.420 nan 0.000 0.270 177 P C 0.034 177.263 177.300 -0.118 0.000 1.223 177 P CA -0.083 63.011 63.100 -0.010 0.000 0.785 177 P CB 1.441 32.977 31.700 -0.274 0.000 0.923 178 c N 4.255 122.663 118.600 -0.320 0.000 2.615 178 c HA 0.424 4.995 4.570 0.001 0.000 0.503 178 c C 0.174 174.021 174.090 -0.406 0.000 1.039 178 c CA -0.382 55.651 56.329 -0.493 0.000 1.226 178 c CB -3.020 38.768 42.510 -1.204 0.000 1.447 178 c HN 0.280 nan 8.230 nan 0.000 0.572 179 I N 3.309 123.761 120.570 -0.197 0.000 2.498 179 I HA 0.248 4.418 4.170 0.001 0.000 0.290 179 I C -0.086 176.108 176.117 0.128 0.000 1.032 179 I CA -0.744 60.506 61.300 -0.083 0.000 1.073 179 I CB 1.127 38.967 38.000 -0.267 0.000 1.251 179 I HN 0.388 nan 8.210 nan 0.000 0.426 180 H N 4.226 123.314 119.070 0.031 0.000 3.125 180 H HA 0.198 4.755 4.556 0.001 0.000 0.310 180 H C 0.165 175.539 175.328 0.076 0.000 0.980 180 H CA 0.698 56.770 56.048 0.039 0.000 1.422 180 H CB 0.584 30.358 29.762 0.019 0.000 1.432 180 H HN 0.773 nan 8.280 nan 0.000 0.577 181 G N 3.989 112.755 108.800 -0.057 0.000 3.190 181 G HA2 0.190 4.150 3.960 0.001 0.000 0.191 181 G HA3 0.190 4.150 3.960 0.001 0.000 0.191 181 G C -0.698 174.005 174.900 -0.327 0.000 1.523 181 G CA -0.349 44.629 45.100 -0.204 0.000 0.842 181 G HN 0.654 nan 8.290 nan 0.000 0.782 182 E N 1.018 121.008 120.200 -0.351 0.000 2.248 182 E HA 0.450 4.800 4.350 0.001 0.000 0.272 182 E C -0.720 175.770 176.600 -0.183 0.000 1.008 182 E CA -0.713 55.512 56.400 -0.291 0.000 0.856 182 E CB 2.021 31.531 29.700 -0.318 0.000 1.120 182 E HN 0.132 nan 8.360 nan 0.000 0.397 183 K N 0.639 120.971 120.400 -0.113 0.000 2.397 183 K HA 0.096 4.416 4.320 0.001 0.000 0.265 183 K C 0.412 176.890 176.600 -0.204 0.000 0.982 183 K CA 0.203 56.424 56.287 -0.110 0.000 0.931 183 K CB 0.491 32.950 32.500 -0.070 0.000 0.943 183 K HN 0.675 nan 8.250 nan 0.000 0.501 184 G N 1.471 109.999 108.800 -0.454 0.000 2.476 184 G HA2 0.458 4.419 3.960 0.001 0.000 0.269 184 G HA3 0.458 4.419 3.960 0.001 0.000 0.269 184 G C -0.824 173.844 174.900 -0.386 0.000 1.195 184 G CA -0.463 44.246 45.100 -0.651 0.000 0.843 184 G HN 0.633 nan 8.290 nan 0.000 0.545 185 I N 0.147 120.656 120.570 -0.103 0.000 2.802 185 I HA 0.763 4.934 4.170 0.001 0.000 0.298 185 I C -0.314 175.852 176.117 0.082 0.000 1.176 185 I CA -0.547 60.783 61.300 0.050 0.000 1.025 185 I CB 2.481 40.508 38.000 0.045 0.000 1.243 185 I HN 0.726 nan 8.210 nan 0.000 0.424 186 T N 1.464 116.067 114.554 0.081 0.000 2.812 186 T HA 0.769 5.120 4.350 0.001 0.000 0.294 186 T C -0.636 174.118 174.700 0.090 0.000 1.159 186 T CA -0.555 61.579 62.100 0.057 0.000 1.008 186 T CB 1.639 70.513 68.868 0.010 0.000 1.289 186 T HN 0.760 nan 8.240 nan 0.000 0.514 187 T N -0.518 114.089 114.554 0.088 0.000 2.903 187 T HA 0.847 5.198 4.350 0.001 0.000 0.299 187 T C -1.157 173.664 174.700 0.201 0.000 1.093 187 T CA -0.946 61.154 62.100 0.001 0.000 1.002 187 T CB 1.509 70.192 68.868 -0.308 0.000 1.127 187 T HN 1.063 nan 8.240 nan 0.000 0.488 188 F N -1.320 118.762 119.950 0.220 0.000 2.741 188 F HA 0.827 5.354 4.527 0.001 0.000 0.313 188 F C -1.847 174.165 175.800 0.354 0.000 1.153 188 F CA -1.196 56.954 58.000 0.250 0.000 0.931 188 F CB 0.763 39.923 39.000 0.267 0.000 1.335 188 F HN 0.417 nan 8.300 nan 0.000 0.460 189 D N 1.441 122.164 120.400 0.538 0.000 2.342 189 D HA 0.628 5.269 4.640 0.001 0.000 0.243 189 D C -1.024 175.574 176.300 0.497 0.000 1.019 189 D CA -0.201 54.061 54.000 0.437 0.000 0.864 189 D CB 2.535 43.535 40.800 0.333 0.000 1.315 189 D HN 0.603 nan 8.370 nan 0.000 0.468 190 L N 1.378 122.897 121.223 0.494 0.000 2.316 190 L HA 0.508 4.849 4.340 0.001 0.000 0.280 190 L C -0.722 176.440 176.870 0.486 0.000 1.006 190 L CA -0.900 54.251 54.840 0.518 0.000 0.836 190 L CB 1.605 44.017 42.059 0.589 0.000 1.221 190 L HN -0.047 nan 8.230 nan 0.000 0.418 191 V N 2.889 123.001 119.914 0.330 0.000 2.495 191 V HA 0.326 4.447 4.120 0.001 0.000 0.298 191 V C -0.162 175.794 176.094 -0.230 0.000 1.031 191 V CA -0.612 61.746 62.300 0.098 0.000 0.871 191 V CB 1.907 33.759 31.823 0.048 0.000 0.988 191 V HN 0.764 nan 8.190 nan 0.000 0.432 192 Q N 3.668 123.140 119.800 -0.547 0.000 2.243 192 Q HA 0.321 4.662 4.340 0.001 0.000 0.252 192 Q C -0.450 175.258 176.000 -0.485 0.000 0.909 192 Q CA -0.691 54.483 55.803 -1.048 0.000 0.922 192 Q CB 0.940 29.118 28.738 -0.934 0.000 1.215 192 Q HN 0.757 nan 8.270 nan 0.000 0.427 193 N N 4.053 122.521 118.700 -0.388 0.000 2.497 193 N HA 0.040 4.781 4.740 0.001 0.000 0.268 193 N C -0.853 174.554 175.510 -0.173 0.000 1.171 193 N CA -0.085 52.838 53.050 -0.210 0.000 0.948 193 N CB 0.675 39.080 38.487 -0.138 0.000 1.069 193 N HN 0.462 nan 8.380 nan 0.000 0.460 194 K N 1.996 122.310 120.400 -0.143 0.000 2.472 194 K HA 0.061 4.382 4.320 0.001 0.000 0.280 194 K C 0.260 176.822 176.600 -0.063 0.000 1.028 194 K CA 0.108 56.331 56.287 -0.107 0.000 1.045 194 K CB 0.416 32.852 32.500 -0.106 0.000 0.902 194 K HN 0.502 nan 8.250 nan 0.000 0.478 195 L N 2.203 123.407 121.223 -0.032 0.000 2.360 195 L HA 0.251 4.591 4.340 0.001 0.000 0.271 195 L C 0.005 176.872 176.870 -0.006 0.000 1.057 195 L CA -0.280 54.555 54.840 -0.009 0.000 0.803 195 L CB 1.437 43.508 42.059 0.019 0.000 1.207 195 L HN 0.741 nan 8.230 nan 0.000 0.445 196 T N 1.199 115.751 114.554 -0.004 0.000 3.571 196 T HA 0.170 4.521 4.350 0.001 0.000 0.292 196 T C 0.020 174.722 174.700 0.003 0.000 0.994 196 T CA -0.245 61.852 62.100 -0.004 0.000 0.996 196 T CB 0.399 69.259 68.868 -0.013 0.000 1.185 196 T HN 0.704 nan 8.240 nan 0.000 0.482 197 E N 0.838 121.044 120.200 0.010 0.000 2.366 197 E HA 0.530 4.880 4.350 0.001 0.000 0.266 197 E C 0.163 176.770 176.600 0.012 0.000 1.051 197 E CA -0.074 56.333 56.400 0.012 0.000 0.884 197 E CB -0.288 29.422 29.700 0.017 0.000 1.006 197 E HN 0.679 nan 8.360 nan 0.000 0.417 198 D N 0.784 121.190 120.400 0.010 0.000 2.400 198 D HA 0.455 5.095 4.640 0.001 0.000 0.238 198 D C 0.527 176.835 176.300 0.013 0.000 1.157 198 D CA 0.944 54.950 54.000 0.009 0.000 0.889 198 D CB 0.112 40.916 40.800 0.006 0.000 1.199 198 D HN 0.792 nan 8.370 nan 0.000 0.436 199 Q N -0.653 119.155 119.800 0.013 0.000 2.685 199 Q HA 0.484 4.824 4.340 0.001 0.000 0.301 199 Q C -1.606 174.401 176.000 0.011 0.000 0.924 199 Q CA -1.024 54.788 55.803 0.015 0.000 0.755 199 Q CB 1.254 30.006 28.738 0.022 0.000 1.470 199 Q HN 0.409 nan 8.270 nan 0.000 0.434 200 D N 1.091 121.497 120.400 0.010 0.000 2.344 200 D HA 0.036 4.677 4.640 0.001 0.000 0.244 200 D C -0.542 175.761 176.300 0.004 0.000 1.134 200 D CA -0.146 53.857 54.000 0.005 0.000 0.930 200 D CB 0.976 41.778 40.800 0.003 0.000 1.175 200 D HN 0.502 nan 8.370 nan 0.000 0.437 201 E N 1.977 122.175 120.200 -0.003 0.000 2.406 201 E HA 0.042 4.392 4.350 0.001 0.000 0.258 201 E C -2.001 174.591 176.600 -0.015 0.000 1.043 201 E CA -1.208 55.187 56.400 -0.009 0.000 0.929 201 E CB 0.440 30.130 29.700 -0.017 0.000 0.969 201 E HN 0.130 nan 8.360 nan 0.000 0.462 202 P HA 0.087 nan 4.420 nan 0.000 0.277 202 P C -0.208 177.061 177.300 -0.053 0.000 1.240 202 P CA -0.351 62.747 63.100 -0.004 0.000 0.798 202 P CB 0.891 32.609 31.700 0.029 0.000 0.979 203 D N 0.132 120.490 120.400 -0.070 0.000 2.172 203 D HA -0.148 4.493 4.640 0.001 0.000 0.196 203 D C -0.096 175.891 176.300 -0.522 0.000 0.999 203 D CA 2.034 55.882 54.000 -0.254 0.000 0.856 203 D CB -0.320 40.409 40.800 -0.118 0.000 0.934 203 D HN 0.475 nan 8.370 nan 0.000 0.453 204 Y N -0.738 119.558 120.300 -0.007 0.000 2.362 204 Y HA 0.270 4.820 4.550 0.001 0.000 0.326 204 Y C -0.268 175.631 175.900 -0.002 0.000 1.083 204 Y CA -0.836 57.261 58.100 -0.004 0.000 1.073 204 Y CB 1.632 40.084 38.460 -0.014 0.000 1.211 204 Y HN -0.331 nan 8.280 nan 0.000 0.433 205 E N 3.347 123.625 120.200 0.130 0.000 2.156 205 E HA 0.387 4.737 4.350 0.001 0.000 0.279 205 E C -1.514 175.147 176.600 0.101 0.000 0.965 205 E CA -1.066 55.391 56.400 0.095 0.000 0.789 205 E CB 1.299 31.038 29.700 0.064 0.000 1.098 205 E HN 0.587 nan 8.360 nan 0.000 0.397 206 L N 6.355 127.624 121.223 0.075 0.000 2.278 206 L HA 0.259 4.599 4.340 0.001 0.000 0.287 206 L C 0.177 177.133 176.870 0.143 0.000 1.072 206 L CA 0.530 55.407 54.840 0.062 0.000 0.819 206 L CB 0.539 42.545 42.059 -0.089 0.000 1.176 206 L HN 0.762 nan 8.230 nan 0.000 0.435 207 I N 2.251 122.909 120.570 0.147 0.000 2.556 207 I HA 0.083 4.253 4.170 0.001 0.000 0.251 207 I C 0.411 176.640 176.117 0.186 0.000 1.105 207 I CA 0.870 62.258 61.300 0.148 0.000 1.436 207 I CB 0.092 38.145 38.000 0.088 0.000 1.139 207 I HN 0.751 nan 8.210 nan 0.000 0.438 208 T N -2.396 112.270 114.554 0.186 0.000 2.894 208 T HA 0.511 4.862 4.350 0.001 0.000 0.309 208 T C -1.174 173.685 174.700 0.265 0.000 1.208 208 T CA -0.573 61.655 62.100 0.213 0.000 1.016 208 T CB 2.540 71.468 68.868 0.101 0.000 1.192 208 T HN -0.021 nan 8.240 nan 0.000 0.491 209 F N 0.430 120.457 119.950 0.128 0.000 2.578 209 F HA 0.754 5.281 4.527 0.001 0.000 0.311 209 F C -0.665 175.195 175.800 0.099 0.000 1.094 209 F CA -0.242 57.828 58.000 0.116 0.000 0.923 209 F CB 1.420 40.525 39.000 0.175 0.000 1.230 209 F HN 1.104 nan 8.300 nan 0.000 0.450 210 K N 2.460 122.659 120.400 -0.334 0.000 2.525 210 K HA 0.776 5.097 4.320 0.001 0.000 0.254 210 K C -1.677 174.803 176.600 -0.199 0.000 0.934 210 K CA -0.502 55.725 56.287 -0.098 0.000 0.802 210 K CB 1.494 33.979 32.500 -0.024 0.000 1.295 210 K HN 0.789 nan 8.250 nan 0.000 0.433 211 S N 0.249 115.977 115.700 0.047 0.000 2.592 211 S HA 0.802 5.273 4.470 0.001 0.000 0.275 211 S C -0.220 174.452 174.600 0.120 0.000 1.169 211 S CA 0.538 58.790 58.200 0.086 0.000 0.958 211 S CB 0.645 63.955 63.200 0.183 0.000 1.095 211 S HN 2.553 nan 8.310 nan 0.000 0.471 212 G N 3.694 112.551 108.800 0.095 0.000 2.719 212 G HA2 -0.061 3.900 3.960 0.001 0.000 0.686 212 G HA3 -0.061 3.900 3.960 0.001 0.000 0.686 212 G C -0.115 174.804 174.900 0.032 0.000 1.201 212 G CA -0.166 44.972 45.100 0.063 0.000 0.768 212 G HN 0.573 nan 8.290 nan 0.000 0.629 213 E N 0.596 120.807 120.200 0.018 0.000 2.290 213 E HA 0.120 4.471 4.350 0.001 0.000 0.197 213 E C 1.438 178.041 176.600 0.005 0.000 0.948 213 E CA 0.894 57.302 56.400 0.013 0.000 0.895 213 E CB 0.370 30.080 29.700 0.018 0.000 0.865 213 E HN 0.609 nan 8.360 nan 0.000 0.486 214 R N -1.114 119.381 120.500 -0.008 0.000 2.740 214 R HA 0.310 4.651 4.340 0.001 0.000 0.273 214 R C 0.313 176.613 176.300 -0.001 0.000 0.998 214 R CA -0.523 55.598 56.100 0.035 0.000 0.900 214 R CB 0.915 31.244 30.300 0.049 0.000 1.223 214 R HN -0.066 nan 8.270 nan 0.000 0.466 215 Y N 0.808 121.105 120.300 -0.005 0.000 2.193 215 Y HA -0.265 4.286 4.550 0.001 0.000 0.285 215 Y C 1.899 177.772 175.900 -0.046 0.000 1.166 215 Y CA 1.747 59.837 58.100 -0.017 0.000 1.181 215 Y CB 0.031 38.481 38.460 -0.015 0.000 0.976 215 Y HN 0.590 nan 8.280 nan 0.000 0.520 216 N N -0.361 118.382 118.700 0.071 0.000 2.251 216 N HA 0.063 4.803 4.740 0.001 0.000 0.217 216 N C -0.245 175.127 175.510 -0.230 0.000 1.124 216 N CA 0.104 53.102 53.050 -0.087 0.000 0.843 216 N CB -0.046 38.354 38.487 -0.145 0.000 1.024 216 N HN 0.279 nan 8.380 nan 0.000 0.501 217 M N 0.745 120.279 119.600 -0.111 0.000 2.393 217 M HA 0.357 4.838 4.480 0.001 0.000 0.316 217 M C -1.234 175.047 176.300 -0.031 0.000 1.087 217 M CA -0.885 54.360 55.300 -0.092 0.000 0.937 217 M CB 2.283 34.848 32.600 -0.057 0.000 1.668 217 M HN -0.261 nan 8.290 nan 0.000 0.438 218 V N 6.652 126.560 119.914 -0.010 0.000 2.479 218 V HA 0.198 4.318 4.120 0.001 0.000 0.281 218 V C -2.125 173.994 176.094 0.043 0.000 1.031 218 V CA -1.103 61.211 62.300 0.023 0.000 1.038 218 V CB 0.165 32.005 31.823 0.030 0.000 0.981 218 V HN 0.698 nan 8.190 nan 0.000 0.478 219 P HA 0.089 nan 4.420 nan 0.000 0.263 219 P C -0.127 177.234 177.300 0.101 0.000 1.195 219 P CA 0.038 63.191 63.100 0.088 0.000 0.762 219 P CB 0.390 32.161 31.700 0.118 0.000 0.799 220 D N 0.601 121.061 120.400 0.100 0.000 2.363 220 D HA 0.050 4.690 4.640 0.001 0.000 0.214 220 D C -0.156 176.237 176.300 0.154 0.000 1.093 220 D CA 0.162 54.225 54.000 0.105 0.000 0.837 220 D CB -0.449 40.397 40.800 0.077 0.000 0.948 220 D HN 0.421 nan 8.370 nan 0.000 0.507 221 H N -0.308 118.789 119.070 0.044 0.000 2.954 221 H HA 0.682 5.238 4.556 0.001 0.000 0.361 221 H C -1.747 173.590 175.328 0.014 0.000 1.122 221 H CA -0.558 55.507 56.048 0.028 0.000 1.217 221 H CB 1.865 31.632 29.762 0.009 0.000 1.776 221 H HN 0.084 nan 8.280 nan 0.000 0.533 222 A N 3.971 126.477 122.820 -0.523 0.000 2.520 222 A HA 0.549 4.870 4.320 0.001 0.000 0.298 222 A C -1.404 175.843 177.584 -0.562 0.000 1.051 222 A CA -0.701 51.092 52.037 -0.406 0.000 0.690 222 A CB 1.775 20.673 19.000 -0.170 0.000 1.281 222 A HN 0.723 nan 8.150 nan 0.000 0.402 223 E N 1.263 121.127 120.200 -0.561 0.000 2.260 223 E HA 0.638 4.988 4.350 0.001 0.000 0.266 223 E C -0.949 175.384 176.600 -0.445 0.000 0.887 223 E CA -0.651 55.511 56.400 -0.396 0.000 0.777 223 E CB 1.777 31.369 29.700 -0.179 0.000 1.205 223 E HN 1.065 nan 8.360 nan 0.000 0.414 224 A N 4.976 127.640 122.820 -0.261 0.000 2.303 224 A HA 0.607 4.928 4.320 0.001 0.000 0.320 224 A C -0.630 176.933 177.584 -0.036 0.000 1.192 224 A CA -0.713 51.285 52.037 -0.064 0.000 0.821 224 A CB 0.831 19.901 19.000 0.116 0.000 1.188 224 A HN 0.669 nan 8.150 nan 0.000 0.492 225 R N 1.459 121.972 120.500 0.020 0.000 2.338 225 R HA 0.607 4.948 4.340 0.001 0.000 0.317 225 R C -1.323 175.012 176.300 0.060 0.000 0.968 225 R CA -0.447 55.667 56.100 0.024 0.000 0.849 225 R CB 1.888 32.203 30.300 0.026 0.000 1.128 225 R HN 0.433 nan 8.270 nan 0.000 0.448 226 V N 4.382 124.329 119.914 0.056 0.000 2.638 226 V HA 0.257 4.377 4.120 0.001 0.000 0.306 226 V C -0.922 175.226 176.094 0.090 0.000 1.052 226 V CA -0.980 61.375 62.300 0.091 0.000 0.885 226 V CB 2.138 34.032 31.823 0.119 0.000 0.999 226 V HN 0.522 nan 8.190 nan 0.000 0.424 227 L N 6.554 127.828 121.223 0.085 0.000 2.260 227 L HA 0.601 4.942 4.340 0.001 0.000 0.289 227 L C -0.418 176.474 176.870 0.037 0.000 1.057 227 L CA 0.361 55.232 54.840 0.052 0.000 0.811 227 L CB 1.222 43.301 42.059 0.034 0.000 1.184 227 L HN 0.443 nan 8.230 nan 0.000 0.429 228 V N 6.674 126.592 119.914 0.007 0.000 2.383 228 V HA 0.241 4.362 4.120 0.001 0.000 0.275 228 V C 1.260 177.264 176.094 -0.150 0.000 1.036 228 V CA -0.520 61.717 62.300 -0.105 0.000 0.889 228 V CB 0.998 32.806 31.823 -0.025 0.000 0.985 228 V HN 0.916 nan 8.190 nan 0.000 0.459 229 K N 2.933 123.189 120.400 -0.240 0.000 2.001 229 K HA -0.070 4.251 4.320 0.001 0.000 0.208 229 K C 0.892 177.412 176.600 -0.133 0.000 1.048 229 K CA 1.240 57.430 56.287 -0.162 0.000 0.932 229 K CB 0.329 32.725 32.500 -0.174 0.000 0.715 229 K HN 0.711 nan 8.250 nan 0.000 0.437 230 E N 0.421 120.516 120.200 -0.175 0.000 3.262 230 E HA 0.157 4.508 4.350 0.001 0.000 0.257 230 E C -0.660 175.899 176.600 -0.069 0.000 1.195 230 E CA -0.520 55.817 56.400 -0.105 0.000 1.160 230 E CB 0.374 30.015 29.700 -0.098 0.000 1.416 230 E HN 0.212 nan 8.360 nan 0.000 0.630 231 N N 0.277 118.959 118.700 -0.030 0.000 2.479 231 N HA 0.044 4.785 4.740 0.001 0.000 0.257 231 N C 0.328 175.859 175.510 0.034 0.000 1.232 231 N CA -0.019 53.033 53.050 0.003 0.000 0.920 231 N CB 0.328 38.823 38.487 0.013 0.000 1.105 231 N HN 0.348 nan 8.380 nan 0.000 0.444 232 M N 0.759 120.393 119.600 0.056 0.000 2.560 232 M HA 0.187 4.667 4.480 0.001 0.000 0.297 232 M C 0.831 177.194 176.300 0.105 0.000 1.201 232 M CA -0.451 54.913 55.300 0.106 0.000 0.973 232 M CB 0.132 32.796 32.600 0.106 0.000 1.401 232 M HN 0.387 nan 8.290 nan 0.000 0.497 233 T N -2.122 112.482 114.554 0.083 0.000 2.777 233 T HA -0.081 4.270 4.350 0.001 0.000 0.266 233 T C 1.189 175.949 174.700 0.101 0.000 1.040 233 T CA 1.542 63.690 62.100 0.079 0.000 1.141 233 T CB -0.401 68.502 68.868 0.057 0.000 0.868 233 T HN 0.341 nan 8.240 nan 0.000 0.444 234 D N 1.873 122.340 120.400 0.112 0.000 2.084 234 D HA -0.091 4.549 4.640 0.001 0.000 0.194 234 D C 2.579 178.984 176.300 0.174 0.000 0.990 234 D CA 1.644 55.720 54.000 0.126 0.000 0.826 234 D CB -0.758 40.116 40.800 0.122 0.000 0.971 234 D HN 0.487 nan 8.370 nan 0.000 0.453 235 V N 0.307 120.352 119.914 0.219 0.000 2.255 235 V HA -0.249 3.872 4.120 0.001 0.000 0.247 235 V C 2.557 178.799 176.094 0.247 0.000 1.051 235 V CA 1.258 63.712 62.300 0.256 0.000 1.018 235 V CB -1.058 30.918 31.823 0.254 0.000 0.641 235 V HN 0.110 nan 8.190 nan 0.000 0.445 236 I N 0.035 120.710 120.570 0.176 0.000 2.118 236 I HA -0.318 3.852 4.170 0.001 0.000 0.241 236 I C 2.847 179.073 176.117 0.182 0.000 1.070 236 I CA 2.475 63.865 61.300 0.151 0.000 1.327 236 I CB -0.539 37.525 38.000 0.108 0.000 1.034 236 I HN 0.400 nan 8.210 nan 0.000 0.405 237 Q N 1.285 121.179 119.800 0.157 0.000 2.002 237 Q HA -0.234 4.106 4.340 0.001 0.000 0.204 237 Q C 1.753 177.872 176.000 0.198 0.000 0.988 237 Q CA 2.073 57.963 55.803 0.145 0.000 0.843 237 Q CB -0.414 28.386 28.738 0.104 0.000 0.908 237 Q HN 0.390 nan 8.270 nan 0.000 0.420 238 D N -0.463 120.080 120.400 0.239 0.000 2.160 238 D HA -0.213 4.427 4.640 0.001 0.000 0.189 238 D C 1.642 178.184 176.300 0.403 0.000 1.003 238 D CA 1.469 55.683 54.000 0.356 0.000 0.846 238 D CB -0.654 40.397 40.800 0.420 0.000 0.949 238 D HN 0.305 nan 8.370 nan 0.000 0.446 239 F N 1.425 121.398 119.950 0.038 0.000 2.147 239 F HA -0.224 4.304 4.527 0.001 0.000 0.301 239 F C 2.343 178.090 175.800 -0.089 0.000 1.084 239 F CA 1.673 59.399 58.000 -0.457 0.000 1.268 239 F CB -0.191 38.453 39.000 -0.592 0.000 1.009 239 F HN -0.099 nan 8.300 nan 0.000 0.486 240 E N -1.169 119.034 120.200 0.005 0.000 2.072 240 E HA -0.260 4.090 4.350 0.001 0.000 0.191 240 E C 2.099 178.675 176.600 -0.040 0.000 0.985 240 E CA 1.525 57.891 56.400 -0.058 0.000 0.801 240 E CB -0.629 29.108 29.700 0.062 0.000 0.750 240 E HN 0.597 nan 8.360 nan 0.000 0.452 241 Y N -0.520 119.762 120.300 -0.031 0.000 2.242 241 Y HA -0.196 4.355 4.550 0.001 0.000 0.291 241 Y C 1.832 177.712 175.900 -0.033 0.000 1.137 241 Y CA 1.487 59.575 58.100 -0.019 0.000 1.181 241 Y CB -0.311 38.174 38.460 0.042 0.000 0.989 241 Y HN 0.153 nan 8.280 nan 0.000 0.527 242 F N 0.425 120.317 119.950 -0.097 0.000 2.069 242 F HA -0.291 4.237 4.527 0.001 0.000 0.298 242 F C 1.989 177.570 175.800 -0.364 0.000 1.113 242 F CA 1.977 59.866 58.000 -0.186 0.000 1.214 242 F CB -0.667 38.278 39.000 -0.091 0.000 0.978 242 F HN 0.043 nan 8.300 nan 0.000 0.474 243 L N 0.182 121.152 121.223 -0.422 0.000 2.043 243 L HA -0.247 4.094 4.340 0.001 0.000 0.212 243 L C 2.867 179.475 176.870 -0.438 0.000 1.075 243 L CA 1.964 56.523 54.840 -0.468 0.000 0.752 243 L CB -1.593 40.198 42.059 -0.447 0.000 0.891 243 L HN 0.407 nan 8.230 nan 0.000 0.432 244 E N -0.653 119.302 120.200 -0.409 0.000 2.072 244 E HA -0.209 4.141 4.350 0.001 0.000 0.190 244 E C 2.061 178.310 176.600 -0.584 0.000 0.982 244 E CA 0.867 57.021 56.400 -0.410 0.000 0.803 244 E CB -0.500 29.020 29.700 -0.301 0.000 0.755 244 E HN 0.400 nan 8.360 nan 0.000 0.453 245 Q N 0.163 119.548 119.800 -0.691 0.000 2.170 245 Q HA -0.057 4.283 4.340 0.001 0.000 0.203 245 Q C 1.375 177.001 176.000 -0.622 0.000 0.976 245 Q CA 1.678 57.085 55.803 -0.661 0.000 0.858 245 Q CB -0.257 28.097 28.738 -0.640 0.000 0.907 245 Q HN 0.706 nan 8.270 nan 0.000 0.433 246 N N -1.201 117.117 118.700 -0.636 0.000 2.280 246 N HA 0.042 4.783 4.740 0.001 0.000 0.192 246 N C -0.692 174.595 175.510 -0.372 0.000 1.109 246 N CA 0.035 52.784 53.050 -0.503 0.000 0.855 246 N CB 0.322 38.432 38.487 -0.628 0.000 0.974 246 N HN 0.291 nan 8.380 nan 0.000 0.482 247 H N -1.975 116.908 119.070 -0.311 0.000 3.132 247 H HA -0.115 4.442 4.556 0.001 0.000 0.237 247 H C -0.988 174.197 175.328 -0.238 0.000 1.189 247 H CA 0.000 55.906 56.048 -0.237 0.000 1.129 247 H CB -1.169 28.479 29.762 -0.190 0.000 1.225 247 H HN 0.030 nan 8.280 nan 0.000 0.323 248 L N 0.827 121.921 121.223 -0.215 0.000 2.344 248 L HA 0.600 4.940 4.340 0.001 0.000 0.272 248 L C 0.904 177.691 176.870 -0.139 0.000 1.035 248 L CA 0.157 54.883 54.840 -0.191 0.000 0.807 248 L CB 0.722 42.629 42.059 -0.253 0.000 1.237 248 L HN 0.377 nan 8.230 nan 0.000 0.442 249 Q N 0.209 119.961 119.800 -0.081 0.000 2.230 249 Q HA 0.767 5.108 4.340 0.001 0.000 0.248 249 Q C 0.098 176.087 176.000 -0.018 0.000 0.915 249 Q CA -0.064 55.713 55.803 -0.043 0.000 0.900 249 Q CB 1.473 30.204 28.738 -0.012 0.000 1.229 249 Q HN 1.025 nan 8.270 nan 0.000 0.439 250 G N -0.040 108.768 108.800 0.013 0.000 2.340 250 G HA2 0.615 4.575 3.960 0.001 0.000 0.299 250 G HA3 0.615 4.575 3.960 0.001 0.000 0.299 250 G C -1.858 173.137 174.900 0.158 0.000 1.291 250 G CA 0.268 45.433 45.100 0.108 0.000 0.841 250 G HN 1.412 nan 8.290 nan 0.000 0.500 251 D N -1.817 118.754 120.400 0.285 0.000 2.755 251 D HA 0.547 5.187 4.640 0.001 0.000 0.277 251 D C -0.749 175.640 176.300 0.148 0.000 1.261 251 D CA 0.065 54.194 54.000 0.216 0.000 0.759 251 D CB 1.029 41.893 40.800 0.106 0.000 1.279 251 D HN 1.094 nan 8.370 nan 0.000 0.420 252 S N -0.815 114.932 115.700 0.079 0.000 2.568 252 S HA 0.903 5.373 4.470 0.001 0.000 0.293 252 S C -0.682 173.915 174.600 -0.005 0.000 1.089 252 S CA -0.590 57.592 58.200 -0.031 0.000 0.945 252 S CB 1.932 65.110 63.200 -0.037 0.000 1.077 252 S HN 0.747 nan 8.310 nan 0.000 0.485 253 T N -0.028 114.511 114.554 -0.025 0.000 2.853 253 T HA 0.652 5.002 4.350 0.001 0.000 0.311 253 T C -0.963 173.731 174.700 -0.009 0.000 1.307 253 T CA -0.815 61.282 62.100 -0.005 0.000 1.019 253 T CB 1.446 70.315 68.868 0.002 0.000 1.264 253 T HN 1.224 nan 8.240 nan 0.000 0.497 254 V N -1.453 118.462 119.914 0.003 0.000 2.513 254 V HA 0.867 4.988 4.120 0.001 0.000 0.299 254 V C -0.909 175.188 176.094 0.006 0.000 1.035 254 V CA -0.013 62.290 62.300 0.005 0.000 0.889 254 V CB 1.139 32.969 31.823 0.012 0.000 0.988 254 V HN 1.191 nan 8.190 nan 0.000 0.440 255 D N 2.800 123.203 120.400 0.005 0.000 2.454 255 D HA 0.549 5.190 4.640 0.001 0.000 0.247 255 D C 0.278 176.582 176.300 0.007 0.000 1.129 255 D CA 0.177 54.180 54.000 0.005 0.000 0.877 255 D CB 1.017 41.820 40.800 0.004 0.000 1.082 255 D HN 1.631 nan 8.370 nan 0.000 0.537 256 S N 0.926 116.630 115.700 0.007 0.000 3.697 256 S HA 0.023 4.493 4.470 0.001 0.000 0.388 256 S C 1.933 176.538 174.600 0.007 0.000 0.941 256 S CA 1.508 59.711 58.200 0.006 0.000 1.247 256 S CB -1.414 61.790 63.200 0.006 0.000 0.904 256 S HN 2.437 nan 8.310 nan 0.000 0.518 257 G N -0.333 108.472 108.800 0.008 0.000 2.284 257 G HA2 -0.306 3.654 3.960 0.001 0.000 0.261 257 G HA3 -0.306 3.654 3.960 0.001 0.000 0.261 257 G C 0.098 175.005 174.900 0.012 0.000 0.997 257 G CA 0.442 45.547 45.100 0.008 0.000 0.621 257 G HN 0.679 nan 8.290 nan 0.000 0.534 258 I N 1.191 121.769 120.570 0.013 0.000 2.353 258 I HA 0.488 4.658 4.170 0.001 0.000 0.293 258 I C 0.459 176.584 176.117 0.015 0.000 0.992 258 I CA -1.256 60.054 61.300 0.017 0.000 1.268 258 I CB 1.230 39.240 38.000 0.017 0.000 1.387 258 I HN 0.177 nan 8.210 nan 0.000 0.478 259 L N 8.499 129.735 121.223 0.023 0.000 2.319 259 L HA 0.352 4.692 4.340 0.001 0.000 0.280 259 L C -0.484 176.372 176.870 -0.024 0.000 1.099 259 L CA 0.088 54.932 54.840 0.006 0.000 0.828 259 L CB 1.051 43.128 42.059 0.030 0.000 1.150 259 L HN 0.296 nan 8.230 nan 0.000 0.442 260 V N 7.008 126.891 119.914 -0.052 0.000 2.334 260 V HA 0.404 4.524 4.120 0.001 0.000 0.281 260 V C 0.104 176.102 176.094 -0.159 0.000 1.016 260 V CA -0.528 61.726 62.300 -0.077 0.000 0.832 260 V CB 1.020 32.816 31.823 -0.044 0.000 0.999 260 V HN 0.627 nan 8.190 nan 0.000 0.439 261 L N 4.017 125.094 121.223 -0.243 0.000 2.325 261 L HA 0.774 5.115 4.340 0.001 0.000 0.278 261 L C 0.134 176.829 176.870 -0.292 0.000 1.023 261 L CA -0.183 54.380 54.840 -0.462 0.000 0.811 261 L CB 2.060 43.648 42.059 -0.785 0.000 1.249 261 L HN 0.520 nan 8.230 nan 0.000 0.431 262 T N 1.638 116.079 114.554 -0.188 0.000 2.971 262 T HA 0.568 4.918 4.350 0.001 0.000 0.304 262 T C -0.909 173.853 174.700 0.104 0.000 1.038 262 T CA -0.355 61.696 62.100 -0.082 0.000 1.007 262 T CB 2.237 71.083 68.868 -0.037 0.000 1.055 262 T HN 0.217 nan 8.240 nan 0.000 0.451 263 V N 3.677 123.591 119.914 0.000 0.000 2.588 263 V HA 0.550 4.670 4.120 0.001 0.000 0.304 263 V C -0.554 175.538 176.094 -0.003 0.000 1.042 263 V CA -0.996 61.355 62.300 0.085 0.000 0.877 263 V CB 2.100 34.037 31.823 0.190 0.000 0.996 263 V HN 0.747 nan 8.190 nan 0.000 0.425 264 E N 2.189 122.412 120.200 0.039 0.000 2.227 264 E HA 0.754 5.105 4.350 0.001 0.000 0.268 264 E C 0.314 176.937 176.600 0.038 0.000 0.990 264 E CA -0.223 56.211 56.400 0.058 0.000 0.856 264 E CB 2.466 32.206 29.700 0.066 0.000 1.159 264 E HN 0.807 nan 8.360 nan 0.000 0.401 265 G N 0.434 109.266 108.800 0.052 0.000 3.291 265 G HA2 0.471 4.432 3.960 0.001 0.000 0.173 265 G HA3 0.471 4.432 3.960 0.001 0.000 0.173 265 G C -0.969 173.947 174.900 0.027 0.000 1.099 265 G CA -0.398 44.723 45.100 0.035 0.000 0.794 265 G HN 0.255 nan 8.290 nan 0.000 0.651 266 K N 0.042 120.462 120.400 0.034 0.000 2.652 266 K HA 0.580 4.901 4.320 0.001 0.000 0.249 266 K C -0.884 175.737 176.600 0.034 0.000 0.986 266 K CA -0.566 55.736 56.287 0.026 0.000 0.867 266 K CB 1.608 34.114 32.500 0.009 0.000 1.201 266 K HN 0.677 nan 8.250 nan 0.000 0.450 267 A N 2.992 125.832 122.820 0.033 0.000 2.354 267 A HA 0.642 4.962 4.320 0.001 0.000 0.269 267 A C -0.181 177.420 177.584 0.028 0.000 1.109 267 A CA -0.292 51.764 52.037 0.031 0.000 0.800 267 A CB 0.528 19.545 19.000 0.028 0.000 1.045 267 A HN 0.613 nan 8.150 nan 0.000 0.489 268 V N -0.176 119.755 119.914 0.029 0.000 3.226 268 V HA 0.452 4.572 4.120 0.001 0.000 0.304 268 V C -0.185 175.940 176.094 0.052 0.000 1.336 268 V CA -1.066 61.262 62.300 0.047 0.000 1.066 268 V CB 1.257 33.110 31.823 0.049 0.000 1.087 268 V HN 0.946 nan 8.190 nan 0.000 0.451 269 H N 1.030 120.106 119.070 0.010 0.000 3.046 269 H HA 0.212 4.769 4.556 0.001 0.000 0.303 269 H C 1.433 176.762 175.328 0.003 0.000 1.002 269 H CA 1.264 57.319 56.048 0.011 0.000 1.460 269 H CB 1.502 31.270 29.762 0.009 0.000 1.493 269 H HN 1.130 nan 8.280 nan 0.000 0.559 270 G N 4.311 113.114 108.800 0.005 0.000 2.615 270 G HA2 -0.260 3.701 3.960 0.001 0.000 0.213 270 G HA3 -0.260 3.701 3.960 0.001 0.000 0.213 270 G C 1.552 176.533 174.900 0.136 0.000 1.135 270 G CA 0.365 45.492 45.100 0.044 0.000 0.772 270 G HN 0.573 nan 8.290 nan 0.000 0.542 271 M N -0.023 119.794 119.600 0.360 0.000 2.229 271 M HA 0.065 4.546 4.480 0.001 0.000 0.264 271 M C 0.355 176.690 176.300 0.059 0.000 1.063 271 M CA 0.983 56.401 55.300 0.198 0.000 1.114 271 M CB 0.360 32.986 32.600 0.044 0.000 1.387 271 M HN 0.069 nan 8.290 nan 0.000 0.420 272 D N -0.925 119.505 120.400 0.051 0.000 2.621 272 D HA 0.257 4.897 4.640 0.001 0.000 0.274 272 D C -2.224 174.051 176.300 -0.042 0.000 1.215 272 D CA -1.609 52.383 54.000 -0.013 0.000 0.810 272 D CB 0.815 41.626 40.800 0.019 0.000 1.248 272 D HN 0.077 nan 8.370 nan 0.000 0.517 273 P HA -0.091 nan 4.420 nan 0.000 0.226 273 P C 1.203 178.447 177.300 -0.093 0.000 1.153 273 P CA 0.550 63.597 63.100 -0.089 0.000 0.777 273 P CB 0.068 31.694 31.700 -0.123 0.000 0.794 274 S N -0.852 114.762 115.700 -0.144 0.000 2.537 274 S HA -0.042 4.429 4.470 0.001 0.000 0.240 274 S C 1.796 176.403 174.600 0.012 0.000 0.981 274 S CA 0.471 58.639 58.200 -0.052 0.000 0.948 274 S CB -1.351 61.880 63.200 0.052 0.000 0.759 274 S HN 0.129 nan 8.310 nan 0.000 0.531 275 I N 1.106 121.680 120.570 0.007 0.000 3.728 275 I HA 0.240 4.410 4.170 0.001 0.000 0.307 275 I C 1.405 177.532 176.117 0.017 0.000 1.276 275 I CA 0.155 61.467 61.300 0.020 0.000 1.285 275 I CB 0.018 38.033 38.000 0.025 0.000 1.038 275 I HN 0.452 nan 8.210 nan 0.000 0.445 276 G N 0.039 108.849 108.800 0.016 0.000 3.108 276 G HA2 0.606 4.566 3.960 0.001 0.000 0.268 276 G HA3 0.606 4.566 3.960 0.001 0.000 0.268 276 G C -1.311 173.613 174.900 0.040 0.000 1.361 276 G CA -0.232 44.883 45.100 0.024 0.000 1.047 276 G HN -0.189 nan 8.290 nan 0.000 0.540 277 V N 1.218 121.164 119.914 0.054 0.000 2.443 277 V HA 0.329 4.450 4.120 0.001 0.000 0.293 277 V C -0.582 175.602 176.094 0.150 0.000 1.021 277 V CA -1.229 61.129 62.300 0.096 0.000 0.848 277 V CB 1.480 33.307 31.823 0.007 0.000 0.998 277 V HN 0.671 nan 8.190 nan 0.000 0.424 278 N N 3.527 122.372 118.700 0.241 0.000 2.448 278 N HA 0.252 4.992 4.740 0.001 0.000 0.250 278 N C 1.073 176.784 175.510 0.336 0.000 1.136 278 N CA 0.427 53.617 53.050 0.233 0.000 0.953 278 N CB 1.807 40.404 38.487 0.183 0.000 1.251 278 N HN 0.803 nan 8.380 nan 0.000 0.502 279 A N 3.363 126.331 122.820 0.246 0.000 1.940 279 A HA -0.093 4.228 4.320 0.001 0.000 0.219 279 A C 1.931 179.706 177.584 0.318 0.000 1.176 279 A CA 1.884 54.069 52.037 0.247 0.000 0.631 279 A CB -0.801 18.277 19.000 0.130 0.000 0.814 279 A HN 0.650 nan 8.150 nan 0.000 0.446 280 G N -0.465 108.520 108.800 0.310 0.000 2.403 280 G HA2 -0.068 3.892 3.960 0.001 0.000 0.216 280 G HA3 -0.068 3.892 3.960 0.001 0.000 0.216 280 G C 1.521 176.708 174.900 0.478 0.000 1.154 280 G CA 0.889 46.253 45.100 0.441 0.000 0.784 280 G HN 0.434 nan 8.290 nan 0.000 0.538 281 L N -1.136 120.308 121.223 0.368 0.000 2.141 281 L HA 0.007 4.347 4.340 0.001 0.000 0.209 281 L C 2.588 179.648 176.870 0.317 0.000 1.094 281 L CA 0.712 55.731 54.840 0.299 0.000 0.763 281 L CB -0.316 41.894 42.059 0.251 0.000 0.908 281 L HN 0.164 nan 8.230 nan 0.000 0.437 282 Y N -0.929 119.614 120.300 0.404 0.000 2.263 282 Y HA -0.211 4.339 4.550 0.001 0.000 0.292 282 Y C 2.252 178.404 175.900 0.420 0.000 1.130 282 Y CA 0.951 59.333 58.100 0.470 0.000 1.179 282 Y CB -0.072 38.651 38.460 0.440 0.000 0.998 282 Y HN 0.052 nan 8.280 nan 0.000 0.532 283 L N -0.092 121.443 121.223 0.520 0.000 2.083 283 L HA -0.169 4.171 4.340 0.001 0.000 0.209 283 L C 1.801 178.858 176.870 0.312 0.000 1.083 283 L CA 1.672 56.775 54.840 0.438 0.000 0.752 283 L CB -0.838 41.483 42.059 0.438 0.000 0.899 283 L HN 0.220 nan 8.230 nan 0.000 0.433 284 L N -0.761 120.598 121.223 0.227 0.000 2.156 284 L HA -0.170 4.170 4.340 0.001 0.000 0.208 284 L C 2.527 179.312 176.870 -0.142 0.000 1.095 284 L CA 1.123 55.940 54.840 -0.037 0.000 0.770 284 L CB -0.589 41.354 42.059 -0.193 0.000 0.914 284 L HN 0.248 nan 8.230 nan 0.000 0.439 285 K N 0.922 121.220 120.400 -0.170 0.000 2.032 285 K HA -0.257 4.063 4.320 0.001 0.000 0.209 285 K C 2.034 178.472 176.600 -0.270 0.000 1.048 285 K CA 1.763 57.841 56.287 -0.348 0.000 0.927 285 K CB -0.615 31.535 32.500 -0.583 0.000 0.712 285 K HN 0.159 nan 8.250 nan 0.000 0.441 286 F N 0.850 120.491 119.950 -0.515 0.000 2.126 286 F HA -0.147 4.381 4.527 0.001 0.000 0.299 286 F C 1.522 177.078 175.800 -0.407 0.000 1.096 286 F CA 1.549 59.032 58.000 -0.861 0.000 1.255 286 F CB -0.166 38.029 39.000 -1.342 0.000 0.997 286 F HN 0.012 nan 8.300 nan 0.000 0.479 287 L N 0.293 121.309 121.223 -0.344 0.000 2.131 287 L HA -0.198 4.143 4.340 0.001 0.000 0.210 287 L C 2.792 179.418 176.870 -0.407 0.000 1.092 287 L CA 0.965 55.572 54.840 -0.389 0.000 0.759 287 L CB -1.178 40.797 42.059 -0.140 0.000 0.903 287 L HN 0.292 nan 8.230 nan 0.000 0.435 288 A N 0.041 122.659 122.820 -0.337 0.000 2.139 288 A HA -0.214 4.106 4.320 0.001 0.000 0.221 288 A C 2.421 179.836 177.584 -0.281 0.000 1.159 288 A CA 1.861 53.736 52.037 -0.270 0.000 0.662 288 A CB -0.558 18.292 19.000 -0.249 0.000 0.796 288 A HN 0.554 nan 8.150 nan 0.000 0.463 289 S N -1.149 114.310 115.700 -0.401 0.000 2.562 289 S HA 0.320 4.790 4.470 0.001 0.000 0.221 289 S C 0.485 174.888 174.600 -0.328 0.000 0.975 289 S CA -0.219 57.775 58.200 -0.344 0.000 0.918 289 S CB -0.515 62.457 63.200 -0.380 0.000 0.772 289 S HN 0.377 nan 8.310 nan 0.000 0.531 290 L N 1.291 122.282 121.223 -0.386 0.000 2.352 290 L HA 0.484 4.825 4.340 0.001 0.000 0.269 290 L C -0.422 176.379 176.870 -0.114 0.000 1.034 290 L CA -1.053 53.599 54.840 -0.313 0.000 0.806 290 L CB 0.552 42.251 42.059 -0.601 0.000 1.244 290 L HN -0.051 nan 8.230 nan 0.000 0.447 291 N N 1.728 120.455 118.700 0.046 0.000 2.402 291 N HA 0.400 5.140 4.740 0.001 0.000 0.259 291 N C -0.932 174.654 175.510 0.126 0.000 1.167 291 N CA -0.110 52.987 53.050 0.078 0.000 0.949 291 N CB 0.326 38.867 38.487 0.089 0.000 1.212 291 N HN 0.337 nan 8.380 nan 0.000 0.493 292 L N 0.965 122.222 121.223 0.057 0.000 2.365 292 L HA 0.383 4.724 4.340 0.001 0.000 0.267 292 L C 0.749 177.651 176.870 0.054 0.000 1.033 292 L CA -1.224 53.655 54.840 0.066 0.000 0.802 292 L CB 0.708 42.774 42.059 0.012 0.000 1.267 292 L HN 0.532 nan 8.230 nan 0.000 0.457 293 D N -0.371 120.062 120.400 0.057 0.000 2.362 293 D HA -0.059 4.581 4.640 0.001 0.000 0.238 293 D C 0.141 176.476 176.300 0.060 0.000 1.212 293 D CA -0.122 53.911 54.000 0.055 0.000 0.902 293 D CB 0.726 41.564 40.800 0.063 0.000 1.180 293 D HN 0.581 nan 8.370 nan 0.000 0.445 294 N N 0.840 119.579 118.700 0.065 0.000 2.036 294 N HA -0.218 4.522 4.740 0.001 0.000 0.195 294 N C 1.496 177.070 175.510 0.106 0.000 1.037 294 N CA 1.726 54.822 53.050 0.077 0.000 0.855 294 N CB -0.243 38.286 38.487 0.071 0.000 1.033 294 N HN 0.509 nan 8.380 nan 0.000 0.423 295 N N 0.306 119.082 118.700 0.127 0.000 2.106 295 N HA -0.052 4.688 4.740 0.001 0.000 0.188 295 N C 1.813 177.443 175.510 0.200 0.000 1.029 295 N CA 0.972 54.136 53.050 0.189 0.000 0.848 295 N CB -0.091 38.526 38.487 0.216 0.000 1.007 295 N HN 0.221 nan 8.380 nan 0.000 0.423 296 A N 0.940 123.792 122.820 0.054 0.000 1.933 296 A HA -0.237 4.083 4.320 0.001 0.000 0.218 296 A C 2.125 179.719 177.584 0.017 0.000 1.175 296 A CA 1.354 53.294 52.037 -0.161 0.000 0.628 296 A CB -0.681 18.157 19.000 -0.269 0.000 0.814 296 A HN 0.325 nan 8.150 nan 0.000 0.444 297 Q N -0.523 119.300 119.800 0.039 0.000 2.061 297 Q HA -0.149 4.191 4.340 0.001 0.000 0.204 297 Q C 2.169 178.222 176.000 0.088 0.000 0.984 297 Q CA 1.958 57.783 55.803 0.036 0.000 0.846 297 Q CB -0.372 28.389 28.738 0.038 0.000 0.902 297 Q HN 0.612 nan 8.270 nan 0.000 0.421 298 A N -0.139 122.781 122.820 0.167 0.000 1.930 298 A HA -0.158 4.163 4.320 0.001 0.000 0.217 298 A C 1.877 179.689 177.584 0.381 0.000 1.175 298 A CA 1.140 53.329 52.037 0.254 0.000 0.627 298 A CB -0.910 18.268 19.000 0.296 0.000 0.815 298 A HN 0.642 nan 8.150 nan 0.000 0.443 299 F N 0.446 120.540 119.950 0.241 0.000 2.075 299 F HA -0.168 4.360 4.527 0.001 0.000 0.297 299 F C 2.207 178.142 175.800 0.226 0.000 1.113 299 F CA 2.009 60.202 58.000 0.321 0.000 1.218 299 F CB -0.120 38.963 39.000 0.139 0.000 0.984 299 F HN 0.038 nan 8.300 nan 0.000 0.472 300 V N 0.654 120.536 119.914 -0.054 0.000 2.343 300 V HA -0.312 3.809 4.120 0.001 0.000 0.247 300 V C 2.699 178.691 176.094 -0.169 0.000 1.051 300 V CA 1.795 63.963 62.300 -0.220 0.000 1.036 300 V CB -1.340 30.384 31.823 -0.164 0.000 0.654 300 V HN 0.517 nan 8.190 nan 0.000 0.451 301 A N -0.972 121.798 122.820 -0.084 0.000 2.019 301 A HA -0.215 4.105 4.320 0.001 0.000 0.219 301 A C 2.079 179.553 177.584 -0.184 0.000 1.164 301 A CA 1.760 53.718 52.037 -0.131 0.000 0.644 301 A CB -0.659 18.284 19.000 -0.095 0.000 0.805 301 A HN 0.546 nan 8.150 nan 0.000 0.449 302 F N 0.470 120.271 119.950 -0.248 0.000 2.146 302 F HA -0.124 4.403 4.527 0.001 0.000 0.298 302 F C 2.734 178.314 175.800 -0.366 0.000 1.096 302 F CA 1.748 59.554 58.000 -0.323 0.000 1.275 302 F CB -0.277 38.451 39.000 -0.454 0.000 1.008 302 F HN 0.243 nan 8.300 nan 0.000 0.480 303 S N 0.342 115.909 115.700 -0.221 0.000 2.370 303 S HA -0.221 4.250 4.470 0.001 0.000 0.226 303 S C 1.904 176.328 174.600 -0.293 0.000 1.033 303 S CA 1.873 59.850 58.200 -0.372 0.000 1.011 303 S CB -0.497 62.540 63.200 -0.273 0.000 0.852 303 S HN 0.487 nan 8.310 nan 0.000 0.457 304 N N 0.873 119.404 118.700 -0.283 0.000 2.354 304 N HA -0.002 4.738 4.740 0.001 0.000 0.179 304 N C 1.822 177.167 175.510 -0.276 0.000 1.021 304 N CA 0.646 53.548 53.050 -0.247 0.000 0.887 304 N CB -0.418 37.901 38.487 -0.280 0.000 0.974 304 N HN 0.521 nan 8.380 nan 0.000 0.437 305 R N -0.545 119.680 120.500 -0.458 0.000 2.127 305 R HA -0.023 4.318 4.340 0.001 0.000 0.217 305 R C 0.727 176.578 176.300 -0.748 0.000 1.074 305 R CA 1.069 56.773 56.100 -0.660 0.000 0.991 305 R CB 0.092 29.824 30.300 -0.947 0.000 0.895 305 R HN 0.177 nan 8.270 nan 0.000 0.450 306 Y N -1.592 118.437 120.300 -0.451 0.000 2.430 306 Y HA 0.191 4.741 4.550 0.001 0.000 0.254 306 Y C 1.071 176.803 175.900 -0.279 0.000 1.088 306 Y CA -0.181 57.698 58.100 -0.369 0.000 1.267 306 Y CB 0.783 38.930 38.460 -0.521 0.000 1.204 306 Y HN -0.003 nan 8.280 nan 0.000 0.515 307 L N -1.995 119.136 121.223 -0.154 0.000 2.641 307 L HA 0.225 4.566 4.340 0.001 0.000 0.207 307 L C -0.024 176.806 176.870 -0.067 0.000 1.049 307 L CA 0.067 54.824 54.840 -0.139 0.000 0.866 307 L CB -0.684 41.206 42.059 -0.281 0.000 1.264 307 L HN 0.001 nan 8.230 nan 0.000 0.483 308 F N 2.215 122.040 119.950 -0.208 0.000 2.572 308 F HA 0.107 4.634 4.527 0.001 0.000 0.370 308 F C 1.366 177.068 175.800 -0.163 0.000 1.103 308 F CA 0.191 58.072 58.000 -0.199 0.000 1.286 308 F CB -0.103 38.764 39.000 -0.222 0.000 1.105 308 F HN 0.321 nan 8.300 nan 0.000 0.583 309 N N 3.516 121.668 118.700 -0.912 0.000 2.714 309 N HA -0.257 4.484 4.740 0.001 0.000 0.253 309 N C -0.773 174.562 175.510 -0.291 0.000 1.024 309 N CA 0.818 53.438 53.050 -0.717 0.000 0.726 309 N CB -0.845 37.100 38.487 -0.903 0.000 0.908 309 N HN 0.518 nan 8.380 nan 0.000 0.542 310 S N 0.133 115.715 115.700 -0.196 0.000 2.486 310 S HA 0.169 4.640 4.470 0.001 0.000 0.144 310 S C 0.279 174.823 174.600 -0.094 0.000 1.542 310 S CA -0.717 57.433 58.200 -0.083 0.000 1.262 310 S CB 0.443 63.604 63.200 -0.064 0.000 1.462 310 S HN 0.214 nan 8.310 nan 0.000 0.381 311 D N 1.126 121.446 120.400 -0.132 0.000 2.348 311 D HA 0.052 4.693 4.640 0.001 0.000 0.216 311 D C 0.268 176.203 176.300 -0.609 0.000 0.970 311 D CA 0.921 54.698 54.000 -0.371 0.000 0.889 311 D CB 0.101 40.599 40.800 -0.503 0.000 0.912 311 D HN 0.599 nan 8.370 nan 0.000 0.524 312 F N -0.516 119.416 119.950 -0.030 0.000 2.772 312 F HA 0.323 4.850 4.527 0.001 0.000 0.302 312 F C 1.696 177.483 175.800 -0.021 0.000 1.136 312 F CA -0.310 57.680 58.000 -0.017 0.000 1.322 312 F CB 0.758 39.751 39.000 -0.011 0.000 0.967 312 F HN -0.086 nan 8.300 nan 0.000 0.513 313 G N 0.348 109.183 108.800 0.058 0.000 2.184 313 G HA2 -0.360 3.600 3.960 0.001 0.000 0.264 313 G HA3 -0.360 3.600 3.960 0.001 0.000 0.264 313 G C 1.420 176.347 174.900 0.045 0.000 0.975 313 G CA 0.794 45.910 45.100 0.027 0.000 0.642 313 G HN 0.439 nan 8.290 nan 0.000 0.536 314 E N 0.912 121.157 120.200 0.074 0.000 2.038 314 E HA -0.163 4.188 4.350 0.001 0.000 0.195 314 E C 2.003 178.635 176.600 0.054 0.000 1.000 314 E CA 1.388 57.828 56.400 0.067 0.000 0.803 314 E CB -0.517 29.220 29.700 0.061 0.000 0.750 314 E HN 0.533 nan 8.360 nan 0.000 0.448 315 K N -0.030 120.390 120.400 0.034 0.000 2.360 315 K HA 0.040 4.361 4.320 0.001 0.000 0.201 315 K C 1.930 178.628 176.600 0.163 0.000 1.046 315 K CA 0.920 57.240 56.287 0.055 0.000 0.945 315 K CB -0.122 32.374 32.500 -0.008 0.000 0.750 315 K HN 0.183 nan 8.250 nan 0.000 0.464 316 M N -0.334 119.292 119.600 0.043 0.000 2.494 316 M HA 0.092 4.572 4.480 0.001 0.000 0.232 316 M C 0.555 176.840 176.300 -0.026 0.000 1.137 316 M CA 0.162 55.383 55.300 -0.132 0.000 1.012 316 M CB 0.778 33.086 32.600 -0.486 0.000 1.567 316 M HN 0.340 nan 8.290 nan 0.000 0.486 317 G N 1.177 110.029 108.800 0.087 0.000 2.179 317 G HA2 -0.284 3.677 3.960 0.001 0.000 0.257 317 G HA3 -0.284 3.677 3.960 0.001 0.000 0.257 317 G C 0.425 175.404 174.900 0.132 0.000 1.010 317 G CA 0.393 45.564 45.100 0.118 0.000 0.736 317 G HN 0.533 nan 8.290 nan 0.000 0.513 318 M N -0.831 118.839 119.600 0.117 0.000 2.347 318 M HA 0.239 4.720 4.480 0.001 0.000 0.302 318 M C 0.979 177.370 176.300 0.151 0.000 1.051 318 M CA -0.255 55.163 55.300 0.196 0.000 0.988 318 M CB 0.644 33.335 32.600 0.153 0.000 1.475 318 M HN 0.205 nan 8.290 nan 0.000 0.530 319 K N 1.623 122.116 120.400 0.154 0.000 2.511 319 K HA 0.062 4.382 4.320 0.001 0.000 0.280 319 K C -1.208 175.557 176.600 0.275 0.000 1.008 319 K CA 0.805 57.192 56.287 0.167 0.000 1.050 319 K CB 0.437 33.010 32.500 0.121 0.000 0.889 319 K HN 0.098 nan 8.250 nan 0.000 0.484 320 F N 4.016 124.001 119.950 0.058 0.000 2.623 320 F HA 0.238 4.766 4.527 0.001 0.000 0.323 320 F C -1.754 174.122 175.800 0.126 0.000 1.158 320 F CA -0.697 57.368 58.000 0.109 0.000 1.030 320 F CB 1.238 40.322 39.000 0.140 0.000 1.280 320 F HN 0.749 nan 8.300 nan 0.000 0.474 321 H N 3.126 121.821 119.070 -0.626 0.000 2.589 321 H HA 0.672 5.228 4.556 0.001 0.000 0.351 321 H C -0.944 174.070 175.328 -0.524 0.000 1.074 321 H CA -0.004 55.803 56.048 -0.403 0.000 1.203 321 H CB 1.784 31.390 29.762 -0.260 0.000 1.558 321 H HN 0.698 nan 8.280 nan 0.000 0.522 322 T N 1.088 115.137 114.554 -0.841 0.000 2.952 322 T HA 0.199 4.549 4.350 0.001 0.000 0.286 322 T C 0.570 174.806 174.700 -0.774 0.000 1.024 322 T CA -0.755 60.979 62.100 -0.610 0.000 1.029 322 T CB 1.460 70.179 68.868 -0.249 0.000 1.094 322 T HN 0.538 nan 8.240 nan 0.000 0.515 323 D N -0.075 120.100 120.400 -0.375 0.000 2.178 323 D HA -0.037 4.603 4.640 0.001 0.000 0.201 323 D C 1.654 177.857 176.300 -0.162 0.000 0.980 323 D CA 1.832 55.709 54.000 -0.205 0.000 0.842 323 D CB 0.050 40.793 40.800 -0.095 0.000 0.948 323 D HN 0.591 nan 8.370 nan 0.000 0.472 324 V N -4.163 115.643 119.914 -0.180 0.000 3.509 324 V HA 0.295 4.416 4.120 0.001 0.000 0.286 324 V C 0.781 176.789 176.094 -0.144 0.000 1.618 324 V CA -0.200 62.029 62.300 -0.119 0.000 1.088 324 V CB -0.332 31.439 31.823 -0.086 0.000 0.909 324 V HN -0.028 nan 8.190 nan 0.000 0.429 325 M N 1.559 121.034 119.600 -0.207 0.000 2.346 325 M HA 0.663 5.143 4.480 0.001 0.000 0.280 325 M C 1.039 177.309 176.300 -0.050 0.000 1.075 325 M CA 0.728 55.890 55.300 -0.231 0.000 0.989 325 M CB 1.037 33.383 32.600 -0.422 0.000 1.447 325 M HN 0.702 nan 8.290 nan 0.000 0.511 326 G N 1.173 109.941 108.800 -0.053 0.000 2.685 326 G HA2 -0.136 3.824 3.960 0.001 0.000 0.387 326 G HA3 -0.136 3.824 3.960 0.001 0.000 0.387 326 G C -1.608 173.309 174.900 0.030 0.000 1.324 326 G CA -0.902 44.211 45.100 0.021 0.000 0.878 326 G HN 0.333 nan 8.290 nan 0.000 0.527 327 D N -1.610 118.868 120.400 0.130 0.000 2.493 327 D HA 0.601 5.241 4.640 0.001 0.000 0.239 327 D C 0.272 176.693 176.300 0.201 0.000 1.049 327 D CA -0.396 53.717 54.000 0.189 0.000 1.008 327 D CB 1.831 42.793 40.800 0.269 0.000 1.398 327 D HN 0.470 nan 8.370 nan 0.000 0.513 328 V N 0.640 120.659 119.914 0.174 0.000 2.655 328 V HA 0.308 4.429 4.120 0.001 0.000 0.300 328 V C 0.380 176.529 176.094 0.092 0.000 1.044 328 V CA 0.691 63.011 62.300 0.034 0.000 1.095 328 V CB 1.233 32.905 31.823 -0.252 0.000 0.952 328 V HN 0.493 nan 8.190 nan 0.000 0.485 329 T N 3.258 117.823 114.554 0.018 0.000 2.881 329 T HA 0.583 4.933 4.350 0.001 0.000 0.290 329 T C -0.389 174.274 174.700 -0.061 0.000 1.000 329 T CA -0.450 61.602 62.100 -0.080 0.000 0.978 329 T CB 1.372 70.201 68.868 -0.064 0.000 0.997 329 T HN 0.918 nan 8.240 nan 0.000 0.443 330 T N 1.339 115.825 114.554 -0.114 0.000 2.847 330 T HA 0.606 4.957 4.350 0.001 0.000 0.291 330 T C -0.630 174.018 174.700 -0.085 0.000 0.998 330 T CA -0.978 61.084 62.100 -0.063 0.000 0.967 330 T CB 0.895 69.740 68.868 -0.038 0.000 0.954 330 T HN 0.458 nan 8.240 nan 0.000 0.441 331 N N 3.191 121.860 118.700 -0.052 0.000 2.372 331 N HA 0.451 5.192 4.740 0.001 0.000 0.291 331 N C -0.492 175.003 175.510 -0.026 0.000 1.024 331 N CA -1.012 52.015 53.050 -0.039 0.000 0.873 331 N CB 0.758 39.234 38.487 -0.019 0.000 1.206 331 N HN 0.579 nan 8.380 nan 0.000 0.486 332 I N 3.806 124.372 120.570 -0.005 0.000 2.276 332 I HA 0.254 4.425 4.170 0.001 0.000 0.290 332 I C 1.394 177.533 176.117 0.037 0.000 1.109 332 I CA -0.188 61.131 61.300 0.032 0.000 1.229 332 I CB -0.081 37.967 38.000 0.081 0.000 1.452 332 I HN 0.840 nan 8.210 nan 0.000 0.497 333 G N 5.139 113.919 108.800 -0.033 0.000 2.603 333 G HA2 0.192 4.153 3.960 0.001 0.000 0.214 333 G HA3 0.192 4.153 3.960 0.001 0.000 0.214 333 G C 0.527 175.375 174.900 -0.087 0.000 1.140 333 G CA 0.304 45.367 45.100 -0.061 0.000 0.800 333 G HN 0.348 nan 8.290 nan 0.000 0.533 334 V N 1.013 120.842 119.914 -0.141 0.000 2.638 334 V HA 0.571 4.692 4.120 0.001 0.000 0.306 334 V C -0.989 175.142 176.094 0.062 0.000 1.052 334 V CA -0.636 61.601 62.300 -0.104 0.000 0.885 334 V CB 2.030 33.660 31.823 -0.321 0.000 0.999 334 V HN 0.146 nan 8.190 nan 0.000 0.424 335 I N 4.290 124.954 120.570 0.157 0.000 2.529 335 I HA 0.530 4.700 4.170 0.001 0.000 0.284 335 I C -0.352 175.947 176.117 0.305 0.000 1.088 335 I CA -0.271 61.185 61.300 0.259 0.000 1.062 335 I CB 2.370 40.648 38.000 0.464 0.000 1.218 335 I HN 0.729 nan 8.210 nan 0.000 0.442 336 T N 1.931 116.585 114.554 0.167 0.000 2.900 336 T HA 0.713 5.063 4.350 0.001 0.000 0.295 336 T C -1.175 173.514 174.700 -0.017 0.000 1.044 336 T CA -0.966 61.220 62.100 0.143 0.000 0.995 336 T CB 2.422 71.310 68.868 0.033 0.000 1.072 336 T HN 0.489 nan 8.240 nan 0.000 0.473 337 Y N 1.743 121.954 120.300 -0.148 0.000 2.482 337 Y HA 0.517 5.068 4.550 0.001 0.000 0.334 337 Y C -1.974 173.822 175.900 -0.172 0.000 1.091 337 Y CA -0.638 57.217 58.100 -0.410 0.000 1.027 337 Y CB 1.709 39.669 38.460 -0.833 0.000 1.306 337 Y HN 1.127 nan 8.280 nan 0.000 0.446 338 D N 1.528 121.516 120.400 -0.687 0.000 2.626 338 D HA 0.218 4.859 4.640 0.001 0.000 0.278 338 D C -0.767 175.161 176.300 -0.620 0.000 1.211 338 D CA -0.766 53.024 54.000 -0.350 0.000 0.903 338 D CB 0.860 41.556 40.800 -0.172 0.000 1.408 338 D HN 0.609 nan 8.370 nan 0.000 0.454 339 N N -0.891 117.684 118.700 -0.208 0.000 2.520 339 N HA -0.085 4.655 4.740 0.001 0.000 0.185 339 N C 0.206 175.604 175.510 -0.186 0.000 1.068 339 N CA 0.666 53.638 53.050 -0.131 0.000 0.911 339 N CB 0.266 38.750 38.487 -0.006 0.000 0.961 339 N HN 0.443 nan 8.380 nan 0.000 0.446 340 E N -0.898 119.165 120.200 -0.228 0.000 2.789 340 E HA 0.223 4.574 4.350 0.001 0.000 0.217 340 E C 0.025 176.496 176.600 -0.215 0.000 0.970 340 E CA -0.137 56.150 56.400 -0.189 0.000 1.201 340 E CB 0.492 30.125 29.700 -0.112 0.000 1.069 340 E HN 0.188 nan 8.360 nan 0.000 0.499 341 N N 0.133 118.655 118.700 -0.298 0.000 2.205 341 N HA 0.189 4.930 4.740 0.001 0.000 0.201 341 N C 0.444 175.725 175.510 -0.381 0.000 1.128 341 N CA 0.492 53.378 53.050 -0.272 0.000 0.867 341 N CB 0.818 39.173 38.487 -0.220 0.000 0.996 341 N HN 0.148 nan 8.380 nan 0.000 0.503 342 A N 0.648 123.121 122.820 -0.578 0.000 5.581 342 A HA -0.184 4.137 4.320 0.001 0.000 0.286 342 A C 0.546 177.591 177.584 -0.898 0.000 2.048 342 A CA 0.872 52.453 52.037 -0.760 0.000 0.715 342 A CB -1.768 17.013 19.000 -0.364 0.000 1.192 342 A HN 0.353 nan 8.150 nan 0.000 0.364 343 G N -1.998 106.497 108.800 -0.508 0.000 2.489 343 G HA2 0.737 4.698 3.960 0.001 0.000 0.327 343 G HA3 0.737 4.698 3.960 0.001 0.000 0.327 343 G C -0.894 173.882 174.900 -0.206 0.000 1.189 343 G CA 0.319 45.069 45.100 -0.583 0.000 0.962 343 G HN 2.129 nan 8.290 nan 0.000 0.486 344 L N 0.086 121.207 121.223 -0.170 0.000 2.614 344 L HA 0.654 4.994 4.340 0.001 0.000 0.264 344 L C -2.099 174.698 176.870 -0.122 0.000 0.940 344 L CA -1.372 53.447 54.840 -0.035 0.000 0.903 344 L CB 1.004 43.047 42.059 -0.026 0.000 1.306 344 L HN 0.398 nan 8.230 nan 0.000 0.410 345 F N 2.945 123.083 119.950 0.312 0.000 2.436 345 F HA 0.773 5.301 4.527 0.001 0.000 0.340 345 F C 1.135 177.018 175.800 0.138 0.000 1.113 345 F CA -0.365 57.774 58.000 0.231 0.000 1.022 345 F CB 2.339 41.491 39.000 0.253 0.000 1.128 345 F HN 0.655 nan 8.300 nan 0.000 0.466 346 G N 4.240 113.135 108.800 0.158 0.000 2.370 346 G HA2 0.678 4.638 3.960 0.001 0.000 0.317 346 G HA3 0.678 4.638 3.960 0.001 0.000 0.317 346 G C -1.047 173.792 174.900 -0.103 0.000 1.162 346 G CA -0.420 44.632 45.100 -0.080 0.000 0.922 346 G HN 0.568 nan 8.290 nan 0.000 0.454 347 I N 1.757 122.315 120.570 -0.020 0.000 2.474 347 I HA 0.299 4.470 4.170 0.001 0.000 0.294 347 I C -0.616 175.412 176.117 -0.149 0.000 1.005 347 I CA -1.006 60.169 61.300 -0.209 0.000 1.113 347 I CB 2.535 40.206 38.000 -0.548 0.000 1.289 347 I HN 0.386 nan 8.210 nan 0.000 0.436 348 N N 6.574 125.238 118.700 -0.061 0.000 2.407 348 N HA 0.525 5.265 4.740 0.001 0.000 0.277 348 N C -1.684 173.830 175.510 0.006 0.000 0.995 348 N CA -0.399 52.660 53.050 0.015 0.000 0.903 348 N CB 1.452 39.991 38.487 0.086 0.000 1.218 348 N HN 0.556 nan 8.380 nan 0.000 0.487 349 L N 2.773 124.040 121.223 0.073 0.000 2.343 349 L HA 0.847 5.188 4.340 0.001 0.000 0.278 349 L C -0.876 176.105 176.870 0.185 0.000 0.996 349 L CA -0.651 54.281 54.840 0.154 0.000 0.831 349 L CB 1.173 43.435 42.059 0.337 0.000 1.232 349 L HN 0.685 nan 8.230 nan 0.000 0.413 350 A N 4.328 127.236 122.820 0.146 0.000 2.324 350 A HA 0.774 5.094 4.320 0.001 0.000 0.330 350 A C -1.540 176.167 177.584 0.205 0.000 1.165 350 A CA -0.347 51.775 52.037 0.141 0.000 0.813 350 A CB 0.937 19.977 19.000 0.065 0.000 1.197 350 A HN 0.732 nan 8.150 nan 0.000 0.484 351 Y N 0.281 120.593 120.300 0.020 0.000 2.544 351 Y HA 0.797 5.347 4.550 0.001 0.000 0.342 351 Y C -3.271 172.690 175.900 0.101 0.000 1.062 351 Y CA -3.267 54.849 58.100 0.027 0.000 1.023 351 Y CB 1.245 39.729 38.460 0.040 0.000 1.308 351 Y HN 0.455 nan 8.280 nan 0.000 0.457 352 P HA 0.183 nan 4.420 nan 0.000 0.282 352 P C -0.735 176.699 177.300 0.224 0.000 1.259 352 P CA -0.393 62.791 63.100 0.140 0.000 0.826 352 P CB 1.682 33.494 31.700 0.186 0.000 1.064 353 E N 0.622 120.907 120.200 0.141 0.000 2.452 353 E HA 0.313 4.663 4.350 0.001 0.000 0.261 353 E C 0.164 176.905 176.600 0.235 0.000 0.987 353 E CA 0.407 56.912 56.400 0.175 0.000 0.926 353 E CB -0.247 29.520 29.700 0.112 0.000 0.934 353 E HN 0.590 nan 8.360 nan 0.000 0.452 354 G N 4.664 113.615 108.800 0.252 0.000 2.788 354 G HA2 0.322 4.282 3.960 0.001 0.000 0.327 354 G HA3 0.322 4.282 3.960 0.001 0.000 0.327 354 G C -1.199 173.659 174.900 -0.070 0.000 1.249 354 G CA -0.632 44.563 45.100 0.158 0.000 1.063 354 G HN 0.446 nan 8.290 nan 0.000 0.497 355 F N 1.629 121.386 119.950 -0.322 0.000 2.389 355 F HA 0.467 4.995 4.527 0.001 0.000 0.337 355 F C 0.314 175.910 175.800 -0.339 0.000 1.112 355 F CA -1.094 56.444 58.000 -0.770 0.000 1.192 355 F CB 1.287 40.038 39.000 -0.414 0.000 1.185 355 F HN 0.369 nan 8.300 nan 0.000 0.552 356 E N 6.718 126.300 120.200 -1.030 0.000 2.028 356 E HA 0.070 4.420 4.350 0.001 0.000 0.266 356 E C 0.034 176.054 176.600 -0.968 0.000 0.962 356 E CA -0.238 55.741 56.400 -0.701 0.000 0.784 356 E CB 0.561 29.990 29.700 -0.450 0.000 1.114 356 E HN 0.753 nan 8.360 nan 0.000 0.414 357 F N 4.542 123.982 119.950 -0.849 0.000 2.098 357 F HA -0.151 4.376 4.527 0.001 0.000 0.294 357 F C 2.141 177.683 175.800 -0.430 0.000 1.107 357 F CA 1.533 59.093 58.000 -0.732 0.000 1.234 357 F CB 0.298 38.918 39.000 -0.633 0.000 1.002 357 F HN 0.368 nan 8.300 nan 0.000 0.472 358 E N 0.900 120.769 120.200 -0.552 0.000 2.204 358 E HA -0.249 4.102 4.350 0.001 0.000 0.194 358 E C 2.045 178.383 176.600 -0.437 0.000 0.989 358 E CA 1.247 57.321 56.400 -0.544 0.000 0.824 358 E CB -0.832 28.729 29.700 -0.232 0.000 0.756 358 E HN 0.506 nan 8.360 nan 0.000 0.477 359 K N 1.168 121.339 120.400 -0.381 0.000 2.026 359 K HA -0.049 4.272 4.320 0.001 0.000 0.208 359 K C 2.251 178.669 176.600 -0.304 0.000 1.048 359 K CA 1.380 57.490 56.287 -0.294 0.000 0.929 359 K CB -0.190 32.149 32.500 -0.270 0.000 0.713 359 K HN 0.138 nan 8.250 nan 0.000 0.439 360 A N 0.664 123.235 122.820 -0.416 0.000 1.933 360 A HA -0.172 4.149 4.320 0.001 0.000 0.218 360 A C 2.054 179.489 177.584 -0.248 0.000 1.175 360 A CA 1.681 53.549 52.037 -0.281 0.000 0.628 360 A CB -0.458 18.397 19.000 -0.241 0.000 0.814 360 A HN 0.447 nan 8.150 nan 0.000 0.444 361 M N -0.064 119.253 119.600 -0.472 0.000 2.254 361 M HA -0.065 4.415 4.480 0.001 0.000 0.265 361 M C 1.086 177.258 176.300 -0.213 0.000 1.066 361 M CA 1.613 56.670 55.300 -0.405 0.000 1.123 361 M CB -0.375 31.783 32.600 -0.736 0.000 1.388 361 M HN 0.344 nan 8.290 nan 0.000 0.425 362 D N -0.046 120.223 120.400 -0.220 0.000 2.123 362 D HA -0.226 4.415 4.640 0.001 0.000 0.196 362 D C 2.038 178.292 176.300 -0.078 0.000 0.992 362 D CA 1.578 55.497 54.000 -0.136 0.000 0.833 362 D CB -0.424 40.298 40.800 -0.131 0.000 0.954 362 D HN 0.521 nan 8.370 nan 0.000 0.455 363 R N -0.408 120.058 120.500 -0.056 0.000 2.093 363 R HA -0.098 4.242 4.340 0.001 0.000 0.224 363 R C 2.262 178.595 176.300 0.056 0.000 1.101 363 R CA 0.591 56.690 56.100 -0.002 0.000 0.979 363 R CB -0.562 29.743 30.300 0.008 0.000 0.877 363 R HN 0.064 nan 8.270 nan 0.000 0.441 364 F N 1.680 121.572 119.950 -0.097 0.000 2.102 364 F HA 0.015 4.542 4.527 0.001 0.000 0.298 364 F C 2.263 178.018 175.800 -0.074 0.000 1.105 364 F CA 1.456 59.399 58.000 -0.094 0.000 1.239 364 F CB -0.661 38.271 39.000 -0.113 0.000 0.991 364 F HN 0.156 nan 8.300 nan 0.000 0.474 365 A N -0.211 122.563 122.820 -0.076 0.000 1.940 365 A HA -0.269 4.052 4.320 0.001 0.000 0.219 365 A C 2.013 179.519 177.584 -0.131 0.000 1.176 365 A CA 2.144 54.106 52.037 -0.126 0.000 0.631 365 A CB -1.116 17.843 19.000 -0.068 0.000 0.814 365 A HN 0.555 nan 8.150 nan 0.000 0.446 366 N N -0.425 118.215 118.700 -0.099 0.000 2.251 366 N HA -0.129 4.612 4.740 0.001 0.000 0.181 366 N C 1.602 177.060 175.510 -0.086 0.000 1.019 366 N CA 1.309 54.314 53.050 -0.075 0.000 0.862 366 N CB -0.219 38.238 38.487 -0.051 0.000 0.992 366 N HN 0.517 nan 8.380 nan 0.000 0.429 367 E N -0.196 119.947 120.200 -0.095 0.000 2.463 367 E HA -0.075 4.276 4.350 0.001 0.000 0.201 367 E C 1.177 177.727 176.600 -0.083 0.000 1.045 367 E CA 0.914 57.277 56.400 -0.062 0.000 0.872 367 E CB -0.242 29.460 29.700 0.003 0.000 0.797 367 E HN 0.550 nan 8.360 nan 0.000 0.538 368 I N -0.349 120.130 120.570 -0.152 0.000 4.139 368 I HA 0.020 4.190 4.170 0.001 0.000 0.335 368 I C 1.750 177.906 176.117 0.065 0.000 1.327 368 I CA -0.061 61.210 61.300 -0.049 0.000 1.112 368 I CB 0.177 37.978 38.000 -0.332 0.000 1.058 368 I HN 0.095 nan 8.210 nan 0.000 0.396 369 Q N 0.438 120.224 119.800 -0.024 0.000 2.096 369 Q HA -0.289 4.051 4.340 0.001 0.000 0.204 369 Q C 1.846 177.812 176.000 -0.057 0.000 0.982 369 Q CA 1.769 57.562 55.803 -0.017 0.000 0.850 369 Q CB -0.106 28.608 28.738 -0.041 0.000 0.901 369 Q HN 0.572 nan 8.270 nan 0.000 0.422 370 Q N -0.318 119.367 119.800 -0.191 0.000 2.142 370 Q HA -0.232 4.109 4.340 0.001 0.000 0.213 370 Q C 0.852 176.657 176.000 -0.325 0.000 1.004 370 Q CA 1.917 57.487 55.803 -0.389 0.000 0.883 370 Q CB -0.357 27.886 28.738 -0.824 0.000 0.939 370 Q HN 0.571 nan 8.270 nan 0.000 0.413 371 Y N -0.960 119.468 120.300 0.214 0.000 2.571 371 Y HA 0.348 4.899 4.550 0.001 0.000 0.275 371 Y C 1.220 177.311 175.900 0.319 0.000 1.179 371 Y CA -0.107 58.177 58.100 0.308 0.000 1.242 371 Y CB 0.609 39.351 38.460 0.470 0.000 1.126 371 Y HN 0.213 nan 8.280 nan 0.000 0.524 372 G N 0.334 109.279 108.800 0.241 0.000 2.198 372 G HA2 -0.325 3.636 3.960 0.001 0.000 0.260 372 G HA3 -0.325 3.636 3.960 0.001 0.000 0.260 372 G C -0.331 174.535 174.900 -0.056 0.000 1.025 372 G CA -0.125 45.020 45.100 0.076 0.000 0.769 372 G HN 0.331 nan 8.290 nan 0.000 0.507 373 F N -0.357 119.614 119.950 0.035 0.000 2.458 373 F HA 0.690 5.217 4.527 0.001 0.000 0.330 373 F C 0.526 176.307 175.800 -0.033 0.000 1.082 373 F CA -0.813 57.156 58.000 -0.051 0.000 0.995 373 F CB 1.870 40.724 39.000 -0.242 0.000 1.170 373 F HN 0.123 nan 8.300 nan 0.000 0.478 374 E N 0.867 121.147 120.200 0.134 0.000 2.277 374 E HA 0.632 4.982 4.350 0.001 0.000 0.266 374 E C -1.685 175.009 176.600 0.156 0.000 0.901 374 E CA -0.730 55.725 56.400 0.091 0.000 0.782 374 E CB 1.967 31.690 29.700 0.038 0.000 1.228 374 E HN 0.328 nan 8.360 nan 0.000 0.424 375 V N 2.462 122.453 119.914 0.127 0.000 2.394 375 V HA 0.582 4.702 4.120 0.001 0.000 0.282 375 V C 0.032 176.223 176.094 0.162 0.000 1.031 375 V CA -0.421 61.989 62.300 0.184 0.000 0.881 375 V CB 0.868 32.761 31.823 0.117 0.000 0.982 375 V HN 0.726 nan 8.190 nan 0.000 0.451 376 K N 5.273 125.809 120.400 0.227 0.000 2.354 376 K HA 0.633 4.953 4.320 0.001 0.000 0.257 376 K C -0.798 175.952 176.600 0.250 0.000 1.062 376 K CA -0.636 55.766 56.287 0.192 0.000 0.971 376 K CB 0.504 33.108 32.500 0.174 0.000 1.305 376 K HN 0.496 nan 8.250 nan 0.000 0.449 377 L N 1.905 123.246 121.223 0.198 0.000 2.453 377 L HA 0.488 4.829 4.340 0.001 0.000 0.272 377 L C 1.323 178.318 176.870 0.207 0.000 1.182 377 L CA -0.108 54.874 54.840 0.238 0.000 0.858 377 L CB 0.886 43.042 42.059 0.161 0.000 1.120 377 L HN 0.753 nan 8.230 nan 0.000 0.474 378 G N 0.867 109.807 108.800 0.233 0.000 2.671 378 G HA2 0.604 4.565 3.960 0.001 0.000 0.275 378 G HA3 0.604 4.565 3.960 0.001 0.000 0.275 378 G C -0.357 174.606 174.900 0.105 0.000 1.368 378 G CA -0.201 44.970 45.100 0.119 0.000 1.044 378 G HN 0.731 nan 8.290 nan 0.000 0.543 379 K N -1.136 119.293 120.400 0.048 0.000 2.469 379 K HA 0.490 4.811 4.320 0.001 0.000 0.274 379 K C -0.304 176.330 176.600 0.057 0.000 0.983 379 K CA -0.102 56.212 56.287 0.045 0.000 0.974 379 K CB 0.537 33.047 32.500 0.017 0.000 0.913 379 K HN 0.662 nan 8.250 nan 0.000 0.493 380 V N 2.865 122.814 119.914 0.058 0.000 2.448 380 V HA 0.333 4.454 4.120 0.001 0.000 0.295 380 V C -0.070 176.054 176.094 0.050 0.000 1.025 380 V CA -0.605 61.722 62.300 0.046 0.000 0.859 380 V CB 1.502 33.370 31.823 0.075 0.000 0.988 380 V HN 0.917 nan 8.190 nan 0.000 0.431 381 Q N 6.617 126.450 119.800 0.055 0.000 2.508 381 Q HA 0.384 4.724 4.340 0.001 0.000 0.247 381 Q C -2.608 173.433 176.000 0.069 0.000 1.047 381 Q CA -1.909 53.925 55.803 0.051 0.000 0.783 381 Q CB 1.915 30.684 28.738 0.053 0.000 1.172 381 Q HN 0.461 nan 8.270 nan 0.000 0.515 382 P HA 0.037 nan 4.420 nan 0.000 0.267 382 P C -2.557 174.803 177.300 0.100 0.000 1.201 382 P CA -0.823 62.334 63.100 0.094 0.000 0.775 382 P CB -0.200 31.556 31.700 0.092 0.000 0.854 383 P HA -0.002 nan 4.420 nan 0.000 0.263 383 P C -0.678 176.748 177.300 0.210 0.000 1.175 383 P CA 0.898 64.000 63.100 0.003 0.000 0.761 383 P CB -0.226 31.448 31.700 -0.044 0.000 0.794 384 H N -0.444 118.678 119.070 0.085 0.000 3.042 384 H HA 0.513 5.069 4.556 0.001 0.000 0.346 384 H C -1.668 173.754 175.328 0.156 0.000 1.294 384 H CA -1.193 54.960 56.048 0.175 0.000 1.141 384 H CB 0.403 30.314 29.762 0.248 0.000 1.872 384 H HN 0.327 nan 8.280 nan 0.000 0.541 385 Y N 2.072 122.419 120.300 0.079 0.000 2.304 385 Y HA 0.527 5.077 4.550 0.001 0.000 0.328 385 Y C -1.080 174.831 175.900 0.018 0.000 1.123 385 Y CA -0.721 57.371 58.100 -0.013 0.000 1.218 385 Y CB 1.185 39.650 38.460 0.009 0.000 1.207 385 Y HN 0.579 nan 8.280 nan 0.000 0.495 386 V N 7.220 126.803 119.914 -0.551 0.000 2.305 386 V HA 0.132 4.252 4.120 0.001 0.000 0.275 386 V C 0.183 175.851 176.094 -0.711 0.000 1.020 386 V CA -0.577 61.455 62.300 -0.447 0.000 0.811 386 V CB 0.666 32.347 31.823 -0.235 0.000 1.031 386 V HN 0.977 nan 8.190 nan 0.000 0.439 387 D N 4.783 124.737 120.400 -0.744 0.000 2.149 387 D HA -0.312 4.328 4.640 0.001 0.000 0.194 387 D C 1.605 177.761 176.300 -0.239 0.000 1.001 387 D CA 1.985 55.680 54.000 -0.509 0.000 0.849 387 D CB 0.032 40.812 40.800 -0.032 0.000 0.939 387 D HN 0.716 nan 8.370 nan 0.000 0.449 388 K N -0.097 120.196 120.400 -0.180 0.000 2.504 388 K HA 0.006 4.326 4.320 0.001 0.000 0.195 388 K C 1.093 177.622 176.600 -0.118 0.000 1.036 388 K CA 0.866 57.085 56.287 -0.113 0.000 0.984 388 K CB -0.305 32.144 32.500 -0.085 0.000 0.788 388 K HN 0.181 nan 8.250 nan 0.000 0.488 389 N N 0.633 119.232 118.700 -0.168 0.000 2.205 389 N HA -0.029 4.711 4.740 0.001 0.000 0.201 389 N C -0.676 174.757 175.510 -0.128 0.000 1.128 389 N CA -0.269 52.697 53.050 -0.141 0.000 0.867 389 N CB 0.409 38.799 38.487 -0.162 0.000 0.996 389 N HN 0.237 nan 8.380 nan 0.000 0.503 390 D N 1.726 122.042 120.400 -0.139 0.000 2.317 390 D HA 0.070 4.711 4.640 0.001 0.000 0.252 390 D C -1.743 174.580 176.300 0.037 0.000 1.174 390 D CA -1.939 52.041 54.000 -0.033 0.000 0.866 390 D CB 1.714 42.536 40.800 0.037 0.000 1.127 390 D HN 0.016 nan 8.370 nan 0.000 0.467 391 P HA -0.125 nan 4.420 nan 0.000 0.218 391 P C 1.237 178.607 177.300 0.116 0.000 1.148 391 P CA 0.693 63.833 63.100 0.067 0.000 0.822 391 P CB -0.004 31.741 31.700 0.075 0.000 0.784 392 F N 0.095 120.064 119.950 0.031 0.000 2.187 392 F HA -0.087 4.440 4.527 0.001 0.000 0.295 392 F C 2.014 177.820 175.800 0.010 0.000 1.091 392 F CA 0.971 58.992 58.000 0.034 0.000 1.308 392 F CB -0.826 38.217 39.000 0.072 0.000 1.030 392 F HN -0.340 nan 8.300 nan 0.000 0.487 393 V N 0.384 120.298 119.914 0.000 0.000 2.490 393 V HA -0.320 3.800 4.120 0.001 0.000 0.250 393 V C 2.291 178.268 176.094 -0.194 0.000 1.061 393 V CA 2.127 64.350 62.300 -0.128 0.000 1.064 393 V CB -0.722 31.149 31.823 0.080 0.000 0.670 393 V HN 0.392 nan 8.190 nan 0.000 0.461 394 Q N -0.374 119.358 119.800 -0.114 0.000 2.050 394 Q HA -0.178 4.162 4.340 0.001 0.000 0.202 394 Q C 2.386 178.303 176.000 -0.137 0.000 0.980 394 Q CA 1.397 57.139 55.803 -0.102 0.000 0.840 394 Q CB -0.131 28.576 28.738 -0.052 0.000 0.898 394 Q HN 0.505 nan 8.270 nan 0.000 0.424 395 K N 0.477 120.781 120.400 -0.161 0.000 2.209 395 K HA -0.115 4.206 4.320 0.001 0.000 0.204 395 K C 2.005 178.444 176.600 -0.268 0.000 1.048 395 K CA 0.798 56.986 56.287 -0.166 0.000 0.940 395 K CB -0.219 32.207 32.500 -0.122 0.000 0.729 395 K HN 0.298 nan 8.250 nan 0.000 0.451 396 L N 0.924 121.881 121.223 -0.443 0.000 2.141 396 L HA -0.146 4.194 4.340 0.001 0.000 0.209 396 L C 2.248 178.948 176.870 -0.284 0.000 1.094 396 L CA 0.756 55.297 54.840 -0.497 0.000 0.763 396 L CB -0.226 41.391 42.059 -0.737 0.000 0.908 396 L HN -0.093 nan 8.230 nan 0.000 0.437 397 V N -1.294 118.486 119.914 -0.223 0.000 2.453 397 V HA -0.210 3.911 4.120 0.001 0.000 0.247 397 V C 2.433 178.504 176.094 -0.038 0.000 1.048 397 V CA 1.914 64.135 62.300 -0.131 0.000 1.049 397 V CB -0.773 30.974 31.823 -0.127 0.000 0.672 397 V HN 0.434 nan 8.190 nan 0.000 0.457 398 T N 1.016 115.536 114.554 -0.057 0.000 2.569 398 T HA -0.210 4.140 4.350 0.001 0.000 0.263 398 T C 2.180 176.878 174.700 -0.004 0.000 1.074 398 T CA 2.016 64.105 62.100 -0.019 0.000 1.176 398 T CB -0.672 68.183 68.868 -0.021 0.000 0.863 398 T HN 0.558 nan 8.240 nan 0.000 0.410 399 A N 0.870 123.662 122.820 -0.046 0.000 1.881 399 A HA -0.257 4.063 4.320 0.001 0.000 0.219 399 A C 2.087 179.659 177.584 -0.020 0.000 1.215 399 A CA 2.520 54.525 52.037 -0.054 0.000 0.648 399 A CB -1.501 17.413 19.000 -0.143 0.000 0.832 399 A HN 0.658 nan 8.150 nan 0.000 0.455 400 Y N 0.557 120.769 120.300 -0.147 0.000 2.081 400 Y HA -0.288 4.263 4.550 0.001 0.000 0.280 400 Y C 2.943 178.801 175.900 -0.071 0.000 1.163 400 Y CA 3.806 61.833 58.100 -0.122 0.000 1.135 400 Y CB -0.597 37.774 38.460 -0.149 0.000 0.970 400 Y HN 0.421 nan 8.280 nan 0.000 0.498 401 R N 0.784 121.391 120.500 0.178 0.000 2.080 401 R HA -0.230 4.110 4.340 0.001 0.000 0.236 401 R C 2.126 178.425 176.300 -0.002 0.000 1.137 401 R CA 1.975 58.135 56.100 0.100 0.000 0.943 401 R CB -1.966 28.386 30.300 0.085 0.000 0.846 401 R HN 0.660 nan 8.270 nan 0.000 0.431 402 N N -0.097 118.606 118.700 0.005 0.000 2.223 402 N HA -0.129 4.611 4.740 0.001 0.000 0.185 402 N C 1.372 176.878 175.510 -0.007 0.000 1.016 402 N CA 1.550 54.606 53.050 0.010 0.000 0.863 402 N CB 0.099 38.610 38.487 0.041 0.000 0.983 402 N HN 0.675 nan 8.380 nan 0.000 0.429 403 Q N -0.394 119.376 119.800 -0.050 0.000 2.247 403 Q HA 0.072 4.413 4.340 0.001 0.000 0.211 403 Q C 0.113 176.051 176.000 -0.102 0.000 0.861 403 Q CA 0.091 55.866 55.803 -0.046 0.000 0.949 403 Q CB 1.207 29.927 28.738 -0.030 0.000 1.115 403 Q HN 0.310 nan 8.270 nan 0.000 0.507 441 Q N 0.368 120.168 119.800 -0.001 0.000 3.742 441 Q HA 0.121 4.462 4.340 0.001 0.000 0.204 441 Q C 0.140 176.060 176.000 -0.133 0.000 1.235 441 Q CA 1.335 57.094 55.803 -0.074 0.000 1.354 441 Q CB 0.188 28.867 28.738 -0.099 0.000 1.501 441 Q HN 0.599 nan 8.270 nan 0.000 0.736 442 K N -0.104 120.075 120.400 -0.369 0.000 2.535 442 K HA 0.155 4.475 4.320 0.001 0.000 0.251 442 K C -1.354 174.522 176.600 -1.207 0.000 0.942 442 K CA -0.373 55.406 56.287 -0.846 0.000 0.798 442 K CB 1.105 33.299 32.500 -0.510 0.000 1.267 442 K HN 0.611 nan 8.250 nan 0.000 0.434 443 N N 2.704 119.781 118.700 -2.705 0.000 2.705 443 N HA -0.223 4.517 4.740 0.001 0.000 0.255 443 N C -0.856 174.280 175.510 -0.623 0.000 1.008 443 N CA 1.271 53.328 53.050 -1.655 0.000 0.742 443 N CB -0.292 37.801 38.487 -0.656 0.000 0.906 443 N HN 0.766 nan 8.380 nan 0.000 0.541 444 E N 0.702 120.627 120.200 -0.457 0.000 2.383 444 E HA 0.245 4.595 4.350 0.001 0.000 0.264 444 E C -0.372 176.324 176.600 0.161 0.000 1.050 444 E CA -0.218 56.153 56.400 -0.048 0.000 0.896 444 E CB 0.552 30.273 29.700 0.036 0.000 0.982 444 E HN 0.351 nan 8.360 nan 0.000 0.424 445 Y N 1.111 121.410 120.300 -0.002 0.000 2.656 445 Y HA 0.616 5.166 4.550 0.001 0.000 0.334 445 Y C -1.665 174.238 175.900 0.004 0.000 1.179 445 Y CA -1.384 56.727 58.100 0.018 0.000 1.050 445 Y CB 0.975 39.434 38.460 -0.000 0.000 1.308 445 Y HN 0.616 nan 8.280 nan 0.000 0.456 446 I N 0.741 121.395 120.570 0.140 0.000 2.846 446 I HA 0.638 4.808 4.170 0.001 0.000 0.307 446 I C -0.831 175.374 176.117 0.146 0.000 1.053 446 I CA -0.602 60.720 61.300 0.037 0.000 1.050 446 I CB 2.527 40.526 38.000 -0.001 0.000 1.239 446 I HN 0.875 nan 8.210 nan 0.000 0.439 447 T N 4.942 119.531 114.554 0.059 0.000 2.889 447 T HA 0.248 4.599 4.350 0.001 0.000 0.291 447 T C 1.058 175.685 174.700 -0.121 0.000 0.995 447 T CA -0.445 61.673 62.100 0.031 0.000 1.092 447 T CB 1.340 70.226 68.868 0.030 0.000 0.954 447 T HN 0.586 nan 8.240 nan 0.000 0.506 448 K N 2.447 122.752 120.400 -0.158 0.000 2.044 448 K HA -0.201 4.120 4.320 0.001 0.000 0.210 448 K C 2.766 179.087 176.600 -0.465 0.000 1.049 448 K CA 1.913 57.956 56.287 -0.407 0.000 0.927 448 K CB -0.256 32.162 32.500 -0.138 0.000 0.713 448 K HN 0.598 nan 8.250 nan 0.000 0.443 449 K N 1.710 122.039 120.400 -0.118 0.000 2.026 449 K HA -0.207 4.113 4.320 0.001 0.000 0.208 449 K C 2.016 178.599 176.600 -0.028 0.000 1.048 449 K CA 1.746 58.033 56.287 0.000 0.000 0.929 449 K CB -0.919 31.603 32.500 0.037 0.000 0.713 449 K HN 0.350 nan 8.250 nan 0.000 0.439 450 Q N -0.446 119.322 119.800 -0.053 0.000 2.045 450 Q HA -0.148 4.193 4.340 0.001 0.000 0.206 450 Q C 2.296 178.269 176.000 -0.044 0.000 0.991 450 Q CA 1.557 57.341 55.803 -0.033 0.000 0.851 450 Q CB -0.401 28.320 28.738 -0.030 0.000 0.911 450 Q HN 0.436 nan 8.270 nan 0.000 0.418 451 L N 0.093 121.222 121.223 -0.157 0.000 2.012 451 L HA -0.185 4.156 4.340 0.001 0.000 0.210 451 L C 1.892 178.760 176.870 -0.004 0.000 1.073 451 L CA 1.855 56.602 54.840 -0.156 0.000 0.748 451 L CB -0.525 41.302 42.059 -0.386 0.000 0.891 451 L HN 0.106 nan 8.230 nan 0.000 0.431 452 F N -0.482 119.513 119.950 0.075 0.000 2.367 452 F HA -0.017 4.511 4.527 0.001 0.000 0.298 452 F C 2.314 178.155 175.800 0.068 0.000 1.094 452 F CA 0.765 58.811 58.000 0.076 0.000 1.409 452 F CB -1.495 37.545 39.000 0.067 0.000 1.064 452 F HN 0.205 nan 8.300 nan 0.000 0.528 453 N N 0.599 119.415 118.700 0.192 0.000 2.043 453 N HA -0.166 4.575 4.740 0.001 0.000 0.193 453 N C 2.090 177.644 175.510 0.074 0.000 1.037 453 N CA 1.684 54.791 53.050 0.095 0.000 0.851 453 N CB -0.544 37.955 38.487 0.020 0.000 1.027 453 N HN 0.174 nan 8.380 nan 0.000 0.422 454 A N -0.146 122.722 122.820 0.081 0.000 1.869 454 A HA -0.260 4.060 4.320 0.001 0.000 0.218 454 A C 2.290 179.970 177.584 0.161 0.000 1.203 454 A CA 2.620 54.699 52.037 0.069 0.000 0.638 454 A CB -1.509 17.582 19.000 0.151 0.000 0.831 454 A HN 0.410 nan 8.150 nan 0.000 0.450 455 T N 0.761 115.470 114.554 0.258 0.000 2.635 455 T HA -0.196 4.154 4.350 0.001 0.000 0.267 455 T C 2.274 177.084 174.700 0.183 0.000 1.040 455 T CA 2.330 64.603 62.100 0.288 0.000 1.156 455 T CB -0.668 68.375 68.868 0.293 0.000 0.863 455 T HN 0.797 nan 8.240 nan 0.000 0.430 456 S N 1.458 117.238 115.700 0.134 0.000 2.402 456 S HA 0.010 4.481 4.470 0.001 0.000 0.229 456 S C 2.103 176.660 174.600 -0.072 0.000 1.021 456 S CA 0.709 58.951 58.200 0.070 0.000 0.974 456 S CB -0.704 62.581 63.200 0.142 0.000 0.800 456 S HN 0.460 nan 8.310 nan 0.000 0.484 457 I N 0.035 120.568 120.570 -0.061 0.000 2.202 457 I HA -0.154 4.017 4.170 0.001 0.000 0.242 457 I C 2.400 178.410 176.117 -0.179 0.000 1.091 457 I CA 1.451 62.657 61.300 -0.157 0.000 1.368 457 I CB -0.487 37.409 38.000 -0.174 0.000 1.058 457 I HN 0.178 nan 8.210 nan 0.000 0.410 458 Y N 0.386 120.637 120.300 -0.083 0.000 2.207 458 Y HA -0.270 4.281 4.550 0.001 0.000 0.287 458 Y C 2.313 178.170 175.900 -0.071 0.000 1.156 458 Y CA 1.321 59.400 58.100 -0.034 0.000 1.182 458 Y CB -0.563 37.927 38.460 0.050 0.000 0.979 458 Y HN 0.123 nan 8.280 nan 0.000 0.521 459 L N 0.165 121.388 121.223 0.001 0.000 2.056 459 L HA -0.162 4.178 4.340 0.001 0.000 0.207 459 L C 2.294 178.843 176.870 -0.536 0.000 1.078 459 L CA 1.908 56.629 54.840 -0.198 0.000 0.749 459 L CB -0.718 41.206 42.059 -0.225 0.000 0.901 459 L HN 0.263 nan 8.230 nan 0.000 0.433 460 E N -0.882 118.876 120.200 -0.737 0.000 2.046 460 E HA -0.167 4.184 4.350 0.001 0.000 0.190 460 E C 2.100 178.538 176.600 -0.270 0.000 0.982 460 E CA 0.910 56.760 56.400 -0.916 0.000 0.800 460 E CB -0.087 29.148 29.700 -0.774 0.000 0.756 460 E HN 0.554 nan 8.360 nan 0.000 0.449 461 A N 1.366 124.092 122.820 -0.157 0.000 1.865 461 A HA -0.183 4.137 4.320 0.001 0.000 0.217 461 A C 2.172 179.887 177.584 0.218 0.000 1.191 461 A CA 1.435 53.449 52.037 -0.037 0.000 0.623 461 A CB -0.719 18.124 19.000 -0.262 0.000 0.826 461 A HN 0.313 nan 8.150 nan 0.000 0.444 462 I N -2.167 118.593 120.570 0.316 0.000 2.226 462 I HA -0.265 3.906 4.170 0.001 0.000 0.245 462 I C 2.468 178.724 176.117 0.232 0.000 1.100 462 I CA 1.788 63.297 61.300 0.348 0.000 1.374 462 I CB -0.456 37.711 38.000 0.278 0.000 1.057 462 I HN 0.536 nan 8.210 nan 0.000 0.413 463 Y N 1.380 121.692 120.300 0.020 0.000 2.114 463 Y HA -0.373 4.178 4.550 0.001 0.000 0.282 463 Y C 2.946 178.883 175.900 0.062 0.000 1.165 463 Y CA 2.086 60.189 58.100 0.004 0.000 1.148 463 Y CB -0.376 38.042 38.460 -0.070 0.000 0.972 463 Y HN 0.180 nan 8.280 nan 0.000 0.504 464 S N -0.951 114.865 115.700 0.193 0.000 2.447 464 S HA -0.119 4.351 4.470 0.001 0.000 0.233 464 S C 1.715 176.350 174.600 0.059 0.000 1.006 464 S CA 1.301 59.582 58.200 0.134 0.000 0.957 464 S CB -0.412 62.888 63.200 0.166 0.000 0.773 464 S HN 0.387 nan 8.310 nan 0.000 0.507 465 L N 0.456 121.736 121.223 0.096 0.000 2.316 465 L HA 0.383 4.724 4.340 0.001 0.000 0.207 465 L C 1.815 178.717 176.870 0.054 0.000 1.070 465 L CA 0.956 55.855 54.840 0.098 0.000 0.820 465 L CB -0.209 41.966 42.059 0.193 0.000 0.992 465 L HN 0.461 nan 8.230 nan 0.000 0.466 466 C N -2.191 117.145 119.300 0.060 0.000 2.974 466 C HA 0.384 4.845 4.460 0.001 0.000 0.282 466 C C 1.725 176.727 174.990 0.020 0.000 1.292 466 C CA -0.121 58.965 59.018 0.113 0.000 1.710 466 C CB -0.478 27.441 27.740 0.299 0.000 2.036 466 C HN 0.299 nan 8.230 nan 0.000 0.629 467 V N -0.547 119.250 119.914 -0.196 0.000 3.658 467 V HA 0.404 4.525 4.120 0.001 0.000 0.197 467 V C 0.832 176.723 176.094 -0.337 0.000 1.295 467 V CA 1.053 63.114 62.300 -0.398 0.000 1.298 467 V CB -0.987 30.320 31.823 -0.859 0.000 1.347 467 V HN 0.325 nan 8.190 nan 0.000 0.548 468 E N 0.000 119.975 120.200 -0.374 0.000 2.725 468 E HA 0.000 4.351 4.350 0.001 0.000 0.291 468 E CA 0.000 56.315 56.400 -0.142 0.000 0.976 468 E CB 0.000 29.685 29.700 -0.026 0.000 0.812 468 E HN 0.000 nan 8.360 nan 0.000 0.440