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 1hjv_1_A DATA FIRST_RESID 22 DATA SEQUENCE YKLVcYYTSW SQYREGDGSC FPDALDRFLc THIIYSFANI SNDHIDTWEW DATA SEQUENCE NDVTLYGMLN TLKNRNPNLK TLLSVGGWNF GSQRFSKIAS NTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKQHFT TLIKEMKAEF IKEAQPGKKQ DATA SEQUENCE LLLSAALSAG KVTIDSSYDI AKISQHLDFI SIMTYDFHGA WRGTTGHHSP DATA SEQUENCE LFRGQEDASP DRFSNTDYAV GYMLRLGAPA SKLVMGIPTF GRSFTLASSE DATA SEQUENCE TGVGAPISGP GIPGRFTKEA GTLAYYEIcD FLRGATVHRI LGQQVPYATK DATA SEQUENCE GNQWVGYDDQ ESVKSKVQYL KDRQLAGAMV WALDLDDFQG SFcGQDLRFP DATA SEQUENCE LTNAIKDALA AT 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.899 175.900 -0.002 0.000 1.272 22 Y CA 0.000 58.099 58.100 -0.001 0.000 1.940 22 Y CB 0.000 38.459 38.460 -0.002 0.000 1.050 23 K N 1.770 122.266 120.400 0.159 0.000 2.172 23 K HA 0.618 4.939 4.320 0.001 0.000 0.276 23 K C -1.321 175.284 176.600 0.009 0.000 1.013 23 K CA -0.867 55.443 56.287 0.038 0.000 0.913 23 K CB 1.349 33.743 32.500 -0.176 0.000 1.055 23 K HN 0.425 nan 8.250 nan 0.000 0.461 24 L N 4.721 125.964 121.223 0.033 0.000 2.457 24 L HA 0.241 4.581 4.340 0.001 0.000 0.252 24 L C -1.317 175.549 176.870 -0.006 0.000 1.132 24 L CA -0.601 54.244 54.840 0.008 0.000 0.938 24 L CB 1.179 43.255 42.059 0.028 0.000 1.246 24 L HN 0.258 nan 8.230 nan 0.000 0.476 25 V N 2.987 122.846 119.914 -0.090 0.000 2.455 25 V HA 0.292 4.412 4.120 0.001 0.000 0.273 25 V C 0.183 176.240 176.094 -0.061 0.000 1.045 25 V CA -0.226 62.002 62.300 -0.120 0.000 0.976 25 V CB 0.606 32.267 31.823 -0.270 0.000 0.993 25 V HN 0.764 nan 8.190 nan 0.000 0.475 26 c N 5.182 123.733 118.600 -0.083 0.000 2.417 26 c HA 0.646 5.216 4.570 0.001 0.000 0.324 26 c C -0.302 173.704 174.090 -0.139 0.000 1.240 26 c CA -1.151 55.142 56.329 -0.060 0.000 1.632 26 c CB 0.775 43.243 42.510 -0.070 0.000 2.241 26 c HN 0.742 nan 8.230 nan 0.000 0.499 27 Y N 0.817 121.079 120.300 -0.063 0.000 2.352 27 Y HA 0.498 5.048 4.550 0.001 0.000 0.326 27 Y C -0.178 175.493 175.900 -0.382 0.000 1.166 27 Y CA -0.139 57.840 58.100 -0.201 0.000 1.182 27 Y CB 0.920 39.203 38.460 -0.295 0.000 1.216 27 Y HN 0.711 nan 8.280 nan 0.000 0.474 28 Y N 2.649 122.743 120.300 -0.343 0.000 2.326 28 Y HA 0.401 4.951 4.550 0.001 0.000 0.329 28 Y C -0.377 175.054 175.900 -0.783 0.000 0.973 28 Y CA -1.145 56.647 58.100 -0.513 0.000 1.162 28 Y CB 1.004 39.252 38.460 -0.353 0.000 1.147 28 Y HN 0.663 nan 8.280 nan 0.000 0.456 29 T N 1.234 114.761 114.554 -1.712 0.000 2.897 29 T HA 0.207 4.557 4.350 0.001 0.000 0.294 29 T C 0.990 174.524 174.700 -1.944 0.000 1.004 29 T CA -0.053 60.889 62.100 -1.929 0.000 1.106 29 T CB 1.278 68.673 68.868 -2.456 0.000 0.949 29 T HN 0.782 nan 8.240 nan 0.000 0.520 30 S N 0.979 115.887 115.700 -1.320 0.000 2.650 30 S HA 0.035 4.506 4.470 0.001 0.000 0.219 30 S C 0.859 175.212 174.600 -0.412 0.000 0.960 30 S CA -0.486 57.279 58.200 -0.726 0.000 0.925 30 S CB -0.825 62.169 63.200 -0.344 0.000 0.775 30 S HN 1.006 nan 8.310 nan 0.000 0.525 31 W N 0.754 121.820 121.300 -0.389 0.000 3.008 31 W HA 0.467 5.127 4.660 0.000 0.000 0.355 31 W C 1.100 177.450 176.519 -0.283 0.000 1.095 31 W CA -0.047 57.168 57.345 -0.216 0.000 1.738 31 W CB -0.603 28.887 29.460 0.050 0.000 1.091 31 W HN 0.218 nan 8.180 nan 0.000 0.574 32 S N 0.699 115.936 115.700 -0.771 0.000 2.603 32 S HA -0.203 4.268 4.470 0.001 0.000 0.229 32 S C 1.658 175.991 174.600 -0.445 0.000 0.972 32 S CA 1.040 58.901 58.200 -0.564 0.000 0.935 32 S CB -0.595 62.138 63.200 -0.779 0.000 0.769 32 S HN 0.686 nan 8.310 nan 0.000 0.536 33 Q N 0.417 119.846 119.800 -0.617 0.000 2.163 33 Q HA -0.023 4.317 4.340 0.001 0.000 0.198 33 Q C 0.429 176.259 176.000 -0.284 0.000 0.954 33 Q CA 0.713 56.065 55.803 -0.752 0.000 0.851 33 Q CB -0.778 27.280 28.738 -1.133 0.000 0.928 33 Q HN 0.653 nan 8.270 nan 0.000 0.459 34 Y N 1.859 122.195 120.300 0.060 0.000 2.685 34 Y HA 0.283 4.834 4.550 0.001 0.000 0.365 34 Y C -0.174 175.821 175.900 0.159 0.000 1.113 34 Y CA -0.175 58.015 58.100 0.150 0.000 1.470 34 Y CB -0.300 38.272 38.460 0.187 0.000 1.361 34 Y HN -0.008 nan 8.280 nan 0.000 0.490 35 R N 0.797 121.440 120.500 0.238 0.000 2.387 35 R HA 0.216 4.556 4.340 0.001 0.000 0.314 35 R C -0.003 176.457 176.300 0.267 0.000 0.958 35 R CA -0.786 55.469 56.100 0.260 0.000 0.846 35 R CB 1.306 31.742 30.300 0.227 0.000 1.147 35 R HN 0.377 nan 8.270 nan 0.000 0.447 36 E N 1.401 121.794 120.200 0.323 0.000 2.653 36 E HA -0.156 4.195 4.350 0.001 0.000 0.264 36 E C 1.080 177.870 176.600 0.316 0.000 0.949 36 E CA 1.115 57.712 56.400 0.327 0.000 0.953 36 E CB 0.374 30.285 29.700 0.353 0.000 0.925 36 E HN 0.836 nan 8.360 nan 0.000 0.475 37 G N 4.630 113.567 108.800 0.228 0.000 2.685 37 G HA2 -0.448 3.513 3.960 0.001 0.000 0.357 37 G HA3 -0.448 3.513 3.960 0.001 0.000 0.357 37 G C 0.753 175.671 174.900 0.030 0.000 1.272 37 G CA 0.684 45.874 45.100 0.150 0.000 0.972 37 G HN 0.790 nan 8.290 nan 0.000 0.550 38 D N 1.139 121.485 120.400 -0.090 0.000 2.280 38 D HA -0.125 4.515 4.640 0.001 0.000 0.206 38 D C 2.382 178.404 176.300 -0.464 0.000 0.988 38 D CA 1.729 55.570 54.000 -0.265 0.000 0.886 38 D CB -0.757 39.891 40.800 -0.253 0.000 0.914 38 D HN 0.543 nan 8.370 nan 0.000 0.473 39 G N 0.486 108.979 108.800 -0.512 0.000 2.404 39 G HA2 -0.185 3.775 3.960 0.001 0.000 0.215 39 G HA3 -0.185 3.775 3.960 0.001 0.000 0.215 39 G C 0.810 175.749 174.900 0.065 0.000 1.174 39 G CA 0.313 45.220 45.100 -0.321 0.000 0.780 39 G HN 0.282 nan 8.290 nan 0.000 0.537 40 S N -0.488 115.278 115.700 0.110 0.000 2.784 40 S HA 0.103 4.573 4.470 0.001 0.000 0.322 40 S C -0.090 174.629 174.600 0.198 0.000 1.234 40 S CA -0.100 58.176 58.200 0.128 0.000 1.064 40 S CB -0.444 62.886 63.200 0.217 0.000 0.787 40 S HN 0.472 nan 8.310 nan 0.000 0.506 41 C N 7.171 126.411 119.300 -0.099 0.000 2.441 41 C HA 0.815 5.276 4.460 0.001 0.000 0.318 41 C C -1.102 173.703 174.990 -0.308 0.000 1.222 41 C CA -0.862 57.998 59.018 -0.263 0.000 1.474 41 C CB -0.294 26.933 27.740 -0.854 0.000 2.125 41 C HN 0.846 nan 8.230 nan 0.000 0.479 42 F N 5.000 124.936 119.950 -0.024 0.000 2.561 42 F HA 0.481 5.008 4.527 0.000 0.000 0.321 42 F C -1.504 174.182 175.800 -0.190 0.000 1.065 42 F CA -1.889 56.093 58.000 -0.029 0.000 0.934 42 F CB 1.640 40.630 39.000 -0.016 0.000 1.215 42 F HN 0.362 nan 8.300 nan 0.000 0.471 43 P HA -0.227 nan 4.420 nan 0.000 0.218 43 P C 0.911 178.111 177.300 -0.166 0.000 1.150 43 P CA 1.792 64.636 63.100 -0.427 0.000 0.841 43 P CB 0.058 31.583 31.700 -0.291 0.000 0.784 44 D N -0.934 119.449 120.400 -0.029 0.000 2.317 44 D HA -0.024 4.617 4.640 0.001 0.000 0.211 44 D C 1.396 177.724 176.300 0.047 0.000 0.966 44 D CA 0.695 54.690 54.000 -0.007 0.000 0.876 44 D CB -0.747 40.050 40.800 -0.006 0.000 0.927 44 D HN 0.125 nan 8.370 nan 0.000 0.519 45 A N 0.427 123.306 122.820 0.098 0.000 2.259 45 A HA 0.265 4.585 4.320 0.001 0.000 0.208 45 A C 0.955 178.703 177.584 0.273 0.000 1.201 45 A CA -0.248 51.901 52.037 0.186 0.000 0.824 45 A CB -0.414 18.739 19.000 0.255 0.000 0.838 45 A HN 0.206 nan 8.150 nan 0.000 0.485 46 L N 0.085 121.403 121.223 0.158 0.000 2.325 46 L HA 0.267 4.608 4.340 0.001 0.000 0.279 46 L C -0.065 176.822 176.870 0.029 0.000 1.054 46 L CA -0.864 54.054 54.840 0.131 0.000 0.804 46 L CB 1.169 43.176 42.059 -0.087 0.000 1.200 46 L HN 0.150 nan 8.230 nan 0.000 0.436 47 D N 2.806 123.160 120.400 -0.077 0.000 2.367 47 D HA -0.005 4.635 4.640 0.001 0.000 0.255 47 D C 1.257 177.473 176.300 -0.140 0.000 1.300 47 D CA -0.284 53.695 54.000 -0.036 0.000 0.959 47 D CB 0.790 41.571 40.800 -0.033 0.000 1.064 47 D HN 0.534 nan 8.370 nan 0.000 0.509 48 R N 2.421 122.812 120.500 -0.181 0.000 2.303 48 R HA -0.128 4.212 4.340 0.001 0.000 0.225 48 R C 0.888 176.885 176.300 -0.504 0.000 1.114 48 R CA 1.194 57.068 56.100 -0.376 0.000 1.007 48 R CB -0.359 29.634 30.300 -0.511 0.000 0.861 48 R HN 0.284 nan 8.270 nan 0.000 0.471 49 F N -0.474 119.437 119.950 -0.065 0.000 2.731 49 F HA 0.204 4.731 4.527 0.001 0.000 0.298 49 F C 1.656 177.417 175.800 -0.065 0.000 1.106 49 F CA -0.512 57.456 58.000 -0.054 0.000 1.329 49 F CB 0.001 38.984 39.000 -0.029 0.000 1.100 49 F HN -0.064 nan 8.300 nan 0.000 0.592 50 L N -0.086 121.151 121.223 0.023 0.000 1.989 50 L HA -0.144 4.196 4.340 0.001 0.000 0.211 50 L C 0.912 177.751 176.870 -0.052 0.000 1.071 50 L CA 1.374 56.185 54.840 -0.049 0.000 0.749 50 L CB -0.398 41.529 42.059 -0.220 0.000 0.890 50 L HN 0.107 nan 8.230 nan 0.000 0.431 51 c N -2.306 116.243 118.600 -0.085 0.000 2.423 51 c HA 0.509 5.080 4.570 0.001 0.000 0.378 51 c C 1.937 176.002 174.090 -0.042 0.000 1.244 51 c CA -0.013 56.285 56.329 -0.053 0.000 1.978 51 c CB 1.201 43.669 42.510 -0.069 0.000 2.252 51 c HN 0.586 nan 8.230 nan 0.000 0.526 52 T N -2.416 112.137 114.554 -0.002 0.000 3.040 52 T HA 0.131 4.482 4.350 0.001 0.000 0.252 52 T C 0.031 174.590 174.700 -0.234 0.000 1.064 52 T CA 0.848 62.909 62.100 -0.064 0.000 1.110 52 T CB -0.221 68.677 68.868 0.051 0.000 0.921 52 T HN 0.790 nan 8.240 nan 0.000 0.480 53 H N -0.114 118.916 119.070 -0.066 0.000 2.934 53 H HA 0.573 5.130 4.556 0.001 0.000 0.340 53 H C -1.188 174.102 175.328 -0.063 0.000 1.008 53 H CA -0.775 55.249 56.048 -0.040 0.000 1.317 53 H CB 1.291 31.036 29.762 -0.028 0.000 1.670 53 H HN 0.198 nan 8.280 nan 0.000 0.516 54 I N 4.803 125.407 120.570 0.056 0.000 2.330 54 I HA 0.286 4.456 4.170 0.001 0.000 0.289 54 I C -0.236 175.915 176.117 0.056 0.000 1.001 54 I CA -0.413 60.892 61.300 0.008 0.000 1.193 54 I CB 0.893 38.880 38.000 -0.022 0.000 1.345 54 I HN 0.448 nan 8.210 nan 0.000 0.461 55 I N 6.521 127.061 120.570 -0.049 0.000 2.353 55 I HA 0.209 4.380 4.170 0.001 0.000 0.293 55 I C -0.538 175.645 176.117 0.109 0.000 0.992 55 I CA -0.701 60.587 61.300 -0.020 0.000 1.268 55 I CB 1.111 38.929 38.000 -0.303 0.000 1.387 55 I HN 0.475 nan 8.210 nan 0.000 0.478 56 Y N 6.249 126.581 120.300 0.053 0.000 2.308 56 Y HA 0.458 5.008 4.550 0.001 0.000 0.329 56 Y C 0.213 176.111 175.900 -0.003 0.000 1.111 56 Y CA -0.026 58.136 58.100 0.103 0.000 1.179 56 Y CB 1.196 39.786 38.460 0.218 0.000 1.201 56 Y HN 0.678 nan 8.280 nan 0.000 0.483 57 S N 4.562 120.035 115.700 -0.379 0.000 2.550 57 S HA 0.674 5.145 4.470 0.001 0.000 0.270 57 S C -1.592 172.649 174.600 -0.599 0.000 1.145 57 S CA -0.835 57.059 58.200 -0.511 0.000 0.852 57 S CB 1.211 63.668 63.200 -1.238 0.000 1.119 57 S HN 0.478 nan 8.310 nan 0.000 0.465 58 F N 0.697 120.659 119.950 0.020 0.000 2.613 58 F HA 0.899 5.426 4.527 0.000 0.000 0.342 58 F C 0.687 176.627 175.800 0.234 0.000 1.066 58 F CA -0.515 57.544 58.000 0.098 0.000 1.002 58 F CB 1.699 40.686 39.000 -0.021 0.000 1.319 58 F HN 0.995 nan 8.300 nan 0.000 0.495 59 A N 1.160 124.317 122.820 0.562 0.000 2.337 59 A HA 0.626 4.946 4.320 0.001 0.000 0.331 59 A C -0.837 177.154 177.584 0.679 0.000 1.137 59 A CA -0.587 51.789 52.037 0.566 0.000 0.807 59 A CB 1.127 20.324 19.000 0.327 0.000 1.250 59 A HN 0.697 nan 8.150 nan 0.000 0.468 60 N N -0.100 119.018 118.700 0.697 0.000 2.491 60 N HA 0.597 5.338 4.740 0.001 0.000 0.279 60 N C -1.102 174.589 175.510 0.302 0.000 1.236 60 N CA -0.518 52.895 53.050 0.605 0.000 0.982 60 N CB 0.779 39.392 38.487 0.210 0.000 1.194 60 N HN 0.488 nan 8.380 nan 0.000 0.582 61 I N 0.830 121.535 120.570 0.226 0.000 2.493 61 I HA 0.166 4.336 4.170 0.001 0.000 0.279 61 I C -0.714 175.374 176.117 -0.047 0.000 1.045 61 I CA -0.405 60.895 61.300 0.000 0.000 1.106 61 I CB 1.399 39.241 38.000 -0.264 0.000 1.216 61 I HN 0.304 nan 8.210 nan 0.000 0.459 62 S N 5.077 120.777 115.700 -0.001 0.000 2.474 62 S HA 0.392 4.863 4.470 0.001 0.000 0.321 62 S C 0.267 174.894 174.600 0.045 0.000 1.080 62 S CA -0.212 57.975 58.200 -0.022 0.000 1.106 62 S CB 0.317 63.507 63.200 -0.018 0.000 0.984 62 S HN 0.733 nan 8.310 nan 0.000 0.464 63 N N 3.557 122.264 118.700 0.012 0.000 2.815 63 N HA -0.135 4.605 4.740 0.001 0.000 0.248 63 N C -0.649 174.937 175.510 0.126 0.000 1.110 63 N CA 1.079 54.174 53.050 0.075 0.000 0.699 63 N CB -1.241 37.317 38.487 0.118 0.000 1.040 63 N HN 0.805 nan 8.380 nan 0.000 0.555 64 D N -2.308 118.087 120.400 -0.007 0.000 2.983 64 D HA -0.245 4.395 4.640 0.001 0.000 0.225 64 D C -0.568 175.668 176.300 -0.106 0.000 1.174 64 D CA 1.384 55.333 54.000 -0.087 0.000 0.831 64 D CB -1.489 39.264 40.800 -0.079 0.000 1.104 64 D HN 0.720 nan 8.370 nan 0.000 0.421 65 H N -0.517 118.588 119.070 0.059 0.000 2.529 65 H HA 0.534 5.091 4.556 0.001 0.000 0.348 65 H C 0.348 175.748 175.328 0.120 0.000 1.079 65 H CA -0.774 55.353 56.048 0.133 0.000 1.198 65 H CB 1.593 31.418 29.762 0.104 0.000 1.521 65 H HN 0.081 nan 8.280 nan 0.000 0.514 66 I N 2.625 123.356 120.570 0.269 0.000 2.752 66 I HA 0.040 4.211 4.170 0.001 0.000 0.287 66 I C -0.348 175.697 176.117 -0.120 0.000 1.188 66 I CA 0.973 62.321 61.300 0.079 0.000 1.427 66 I CB 0.054 38.023 38.000 -0.051 0.000 1.365 66 I HN 0.660 nan 8.210 nan 0.000 0.585 67 D N 4.008 124.338 120.400 -0.117 0.000 2.639 67 D HA 0.206 4.846 4.640 0.001 0.000 0.271 67 D C -0.890 175.532 176.300 0.204 0.000 1.254 67 D CA -0.246 53.788 54.000 0.057 0.000 0.810 67 D CB 2.000 42.895 40.800 0.159 0.000 1.351 67 D HN 0.611 nan 8.370 nan 0.000 0.427 68 T N -1.740 113.047 114.554 0.388 0.000 2.701 68 T HA 0.104 4.455 4.350 0.001 0.000 0.303 68 T C 0.665 175.615 174.700 0.416 0.000 1.030 68 T CA -0.165 62.198 62.100 0.438 0.000 1.010 68 T CB 1.385 70.424 68.868 0.285 0.000 1.007 68 T HN 0.571 nan 8.240 nan 0.000 0.532 69 W N -0.072 121.383 121.300 0.258 0.000 4.019 69 W HA 0.264 4.924 4.660 0.001 0.000 0.212 69 W C -0.047 176.619 176.519 0.245 0.000 0.900 69 W CA 0.051 57.550 57.345 0.256 0.000 2.352 69 W CB 0.034 29.697 29.460 0.338 0.000 1.066 69 W HN 0.536 nan 8.180 nan 0.000 0.765 70 E N 2.387 123.004 120.200 0.696 0.000 2.354 70 E HA -0.028 4.323 4.350 0.001 0.000 0.269 70 E C 1.438 178.209 176.600 0.285 0.000 1.036 70 E CA -0.022 56.711 56.400 0.556 0.000 0.876 70 E CB 0.054 30.050 29.700 0.493 0.000 1.009 70 E HN 0.341 nan 8.360 nan 0.000 0.416 71 W N 4.892 126.340 121.300 0.246 0.000 2.292 71 W HA -0.235 4.425 4.660 0.000 0.000 0.304 71 W C 0.594 177.192 176.519 0.132 0.000 1.228 71 W CA 1.557 58.999 57.345 0.162 0.000 1.241 71 W CB -0.765 28.786 29.460 0.152 0.000 1.142 71 W HN 0.450 nan 8.180 nan 0.000 0.520 72 N N 0.421 118.438 118.700 -1.139 0.000 2.275 72 N HA -0.050 4.691 4.740 0.001 0.000 0.236 72 N C 0.522 175.699 175.510 -0.555 0.000 1.154 72 N CA 0.131 52.560 53.050 -1.035 0.000 0.866 72 N CB -0.508 36.936 38.487 -1.738 0.000 1.093 72 N HN -0.120 nan 8.380 nan 0.000 0.515 73 D N 1.404 121.566 120.400 -0.397 0.000 2.133 73 D HA -0.137 4.503 4.640 0.001 0.000 0.192 73 D C 1.941 177.671 176.300 -0.950 0.000 1.001 73 D CA 1.104 54.794 54.000 -0.517 0.000 0.844 73 D CB 0.028 40.543 40.800 -0.476 0.000 0.944 73 D HN 0.094 nan 8.370 nan 0.000 0.447 74 V N 0.823 120.271 119.914 -0.777 0.000 2.380 74 V HA -0.277 3.844 4.120 0.001 0.000 0.251 74 V C 2.485 178.379 176.094 -0.332 0.000 1.063 74 V CA 2.090 64.045 62.300 -0.575 0.000 1.055 74 V CB -0.924 30.750 31.823 -0.249 0.000 0.657 74 V HN 0.234 nan 8.190 nan 0.000 0.455 75 T N 0.114 114.493 114.554 -0.292 0.000 2.777 75 T HA -0.085 4.265 4.350 0.001 0.000 0.266 75 T C 1.849 176.467 174.700 -0.137 0.000 1.040 75 T CA 1.246 63.238 62.100 -0.181 0.000 1.141 75 T CB -0.265 68.496 68.868 -0.177 0.000 0.868 75 T HN 0.194 nan 8.240 nan 0.000 0.444 76 L N 0.263 121.396 121.223 -0.149 0.000 2.056 76 L HA 0.010 4.351 4.340 0.001 0.000 0.207 76 L C 2.191 179.040 176.870 -0.034 0.000 1.078 76 L CA 1.467 56.304 54.840 -0.005 0.000 0.749 76 L CB -1.196 40.984 42.059 0.202 0.000 0.901 76 L HN 0.270 nan 8.230 nan 0.000 0.433 77 Y N -0.044 120.075 120.300 -0.302 0.000 2.298 77 Y HA -0.172 4.379 4.550 0.001 0.000 0.287 77 Y C 2.421 178.134 175.900 -0.311 0.000 1.164 77 Y CA 0.704 58.574 58.100 -0.384 0.000 1.229 77 Y CB -1.654 36.599 38.460 -0.345 0.000 0.977 77 Y HN 0.178 nan 8.280 nan 0.000 0.538 78 G N -0.516 108.248 108.800 -0.060 0.000 2.424 78 G HA2 -0.216 3.744 3.960 0.001 0.000 0.214 78 G HA3 -0.216 3.744 3.960 0.001 0.000 0.214 78 G C 1.739 176.582 174.900 -0.094 0.000 1.202 78 G CA 0.879 45.927 45.100 -0.086 0.000 0.793 78 G HN 0.299 nan 8.290 nan 0.000 0.534 79 M N -0.153 119.404 119.600 -0.071 0.000 2.149 79 M HA -0.025 4.456 4.480 0.001 0.000 0.261 79 M C 2.452 178.693 176.300 -0.099 0.000 1.064 79 M CA 1.018 56.276 55.300 -0.070 0.000 1.102 79 M CB -0.381 32.197 32.600 -0.035 0.000 1.369 79 M HN 0.289 nan 8.290 nan 0.000 0.408 80 L N 0.996 122.157 121.223 -0.104 0.000 1.988 80 L HA -0.122 4.219 4.340 0.001 0.000 0.207 80 L C 1.974 178.756 176.870 -0.146 0.000 1.071 80 L CA 1.905 56.672 54.840 -0.121 0.000 0.744 80 L CB -0.942 41.093 42.059 -0.040 0.000 0.893 80 L HN 0.225 nan 8.230 nan 0.000 0.433 81 N N -0.662 117.918 118.700 -0.199 0.000 2.334 81 N HA -0.178 4.563 4.740 0.001 0.000 0.187 81 N C 1.657 177.065 175.510 -0.170 0.000 1.016 81 N CA 1.673 54.585 53.050 -0.230 0.000 0.879 81 N CB -0.403 37.885 38.487 -0.332 0.000 0.965 81 N HN 0.488 nan 8.380 nan 0.000 0.438 82 T N 1.659 116.128 114.554 -0.142 0.000 2.788 82 T HA 0.002 4.352 4.350 0.001 0.000 0.268 82 T C 2.031 176.654 174.700 -0.129 0.000 1.044 82 T CA 0.413 62.442 62.100 -0.119 0.000 1.139 82 T CB -0.119 68.690 68.868 -0.097 0.000 0.867 82 T HN 0.200 nan 8.240 nan 0.000 0.454 83 L N 0.634 121.770 121.223 -0.145 0.000 2.351 83 L HA -0.141 4.200 4.340 0.001 0.000 0.220 83 L C 2.200 178.946 176.870 -0.208 0.000 1.127 83 L CA 1.239 55.972 54.840 -0.179 0.000 0.786 83 L CB -0.482 41.465 42.059 -0.186 0.000 0.914 83 L HN 0.295 nan 8.230 nan 0.000 0.443 84 K N -0.461 119.837 120.400 -0.171 0.000 2.486 84 K HA -0.022 4.298 4.320 0.001 0.000 0.194 84 K C 1.382 177.899 176.600 -0.138 0.000 1.033 84 K CA 0.435 56.625 56.287 -0.161 0.000 1.004 84 K CB -0.177 32.241 32.500 -0.137 0.000 0.798 84 K HN 0.487 nan 8.250 nan 0.000 0.495 85 N N 1.193 119.817 118.700 -0.127 0.000 2.022 85 N HA -0.165 4.576 4.740 0.001 0.000 0.194 85 N C 1.896 177.358 175.510 -0.079 0.000 1.057 85 N CA 0.880 53.875 53.050 -0.091 0.000 0.849 85 N CB -0.064 38.377 38.487 -0.077 0.000 1.044 85 N HN -0.023 nan 8.380 nan 0.000 0.424 86 R N 1.259 121.701 120.500 -0.097 0.000 2.148 86 R HA 0.049 4.389 4.340 0.001 0.000 0.227 86 R C -0.198 176.072 176.300 -0.051 0.000 1.103 86 R CA 0.856 56.934 56.100 -0.036 0.000 0.983 86 R CB -0.248 30.054 30.300 0.003 0.000 0.874 86 R HN 0.148 nan 8.270 nan 0.000 0.451 87 N N -0.516 118.057 118.700 -0.212 0.000 2.696 87 N HA 0.250 4.990 4.740 0.001 0.000 0.246 87 N C -2.417 173.015 175.510 -0.131 0.000 1.057 87 N CA -2.271 50.668 53.050 -0.186 0.000 0.867 87 N CB 1.608 39.815 38.487 -0.466 0.000 1.141 87 N HN -0.148 nan 8.380 nan 0.000 0.517 88 P HA 0.047 nan 4.420 nan 0.000 0.230 88 P C 0.099 177.360 177.300 -0.065 0.000 1.158 88 P CA 0.959 64.022 63.100 -0.062 0.000 0.769 88 P CB 0.207 31.886 31.700 -0.036 0.000 0.807 89 N N -0.944 117.719 118.700 -0.063 0.000 2.424 89 N HA 0.010 4.750 4.740 0.001 0.000 0.178 89 N C 0.416 175.852 175.510 -0.123 0.000 1.060 89 N CA -0.359 52.649 53.050 -0.071 0.000 0.901 89 N CB -0.096 38.368 38.487 -0.039 0.000 0.979 89 N HN 0.092 nan 8.380 nan 0.000 0.451 90 L N 2.414 123.555 121.223 -0.137 0.000 2.499 90 L HA 0.099 4.439 4.340 0.001 0.000 0.273 90 L C -0.393 176.378 176.870 -0.165 0.000 1.195 90 L CA 0.353 55.091 54.840 -0.170 0.000 0.882 90 L CB 0.184 42.134 42.059 -0.181 0.000 1.133 90 L HN -0.089 nan 8.230 nan 0.000 0.483 91 K N 3.151 123.423 120.400 -0.214 0.000 2.208 91 K HA 0.741 5.062 4.320 0.001 0.000 0.247 91 K C -0.570 176.028 176.600 -0.003 0.000 0.953 91 K CA -0.632 55.578 56.287 -0.127 0.000 0.837 91 K CB 1.850 34.228 32.500 -0.204 0.000 1.131 91 K HN 0.770 nan 8.250 nan 0.000 0.431 92 T N -0.783 113.832 114.554 0.101 0.000 2.906 92 T HA 0.739 5.090 4.350 0.001 0.000 0.295 92 T C -0.931 173.969 174.700 0.334 0.000 1.061 92 T CA -0.920 61.311 62.100 0.219 0.000 1.000 92 T CB 0.911 69.916 68.868 0.228 0.000 1.103 92 T HN 0.220 nan 8.240 nan 0.000 0.486 93 L N 1.143 122.538 121.223 0.287 0.000 2.415 93 L HA 0.714 5.054 4.340 0.001 0.000 0.256 93 L C -1.205 175.529 176.870 -0.227 0.000 1.010 93 L CA -0.958 53.950 54.840 0.113 0.000 0.826 93 L CB 1.997 44.138 42.059 0.136 0.000 1.405 93 L HN 0.738 nan 8.230 nan 0.000 0.410 94 L N 0.698 121.600 121.223 -0.535 0.000 2.295 94 L HA 0.702 5.043 4.340 0.001 0.000 0.285 94 L C -0.079 176.747 176.870 -0.074 0.000 1.035 94 L CA 0.224 54.685 54.840 -0.633 0.000 0.806 94 L CB 1.601 43.076 42.059 -0.973 0.000 1.214 94 L HN 0.594 nan 8.230 nan 0.000 0.426 95 S N 3.907 119.689 115.700 0.136 0.000 2.457 95 S HA 0.601 5.072 4.470 0.001 0.000 0.289 95 S C -0.909 173.959 174.600 0.446 0.000 1.163 95 S CA -0.534 57.885 58.200 0.365 0.000 1.078 95 S CB 1.017 64.558 63.200 0.569 0.000 0.987 95 S HN 0.668 nan 8.310 nan 0.000 0.482 96 V N 6.183 126.329 119.914 0.386 0.000 2.417 96 V HA 0.843 4.963 4.120 0.001 0.000 0.291 96 V C 0.658 176.872 176.094 0.199 0.000 1.024 96 V CA 1.102 63.583 62.300 0.302 0.000 0.861 96 V CB 0.387 32.368 31.823 0.264 0.000 0.985 96 V HN 1.308 nan 8.190 nan 0.000 0.436 97 G N 4.439 113.203 108.800 -0.059 0.000 2.214 97 G HA2 0.475 4.435 3.960 0.001 0.000 0.200 97 G HA3 0.475 4.435 3.960 0.001 0.000 0.200 97 G C 0.759 175.282 174.900 -0.629 0.000 1.126 97 G CA 0.203 45.102 45.100 -0.336 0.000 1.284 97 G HN 2.626 nan 8.290 nan 0.000 0.493 98 G N -1.673 106.539 108.800 -0.979 0.000 2.690 98 G HA2 0.070 4.030 3.960 0.001 0.000 0.686 98 G HA3 0.070 4.030 3.960 0.001 0.000 0.686 98 G C 0.733 175.307 174.900 -0.543 0.000 1.277 98 G CA 0.477 44.558 45.100 -1.699 0.000 0.799 98 G HN 1.845 nan 8.290 nan 0.000 0.613 99 W N 1.024 122.044 121.300 -0.467 0.000 2.317 99 W HA -0.186 4.474 4.660 0.001 0.000 0.318 99 W C 1.962 178.398 176.519 -0.138 0.000 1.227 99 W CA 2.174 59.361 57.345 -0.263 0.000 1.269 99 W CB -0.095 29.238 29.460 -0.211 0.000 1.155 99 W HN 0.627 nan 8.180 nan 0.000 0.484 100 N N 0.390 118.984 118.700 -0.177 0.000 2.459 100 N HA -0.160 4.580 4.740 0.001 0.000 0.181 100 N C 1.421 176.904 175.510 -0.044 0.000 1.046 100 N CA 1.212 54.165 53.050 -0.161 0.000 0.904 100 N CB -1.185 37.297 38.487 -0.008 0.000 0.964 100 N HN 0.178 nan 8.380 nan 0.000 0.444 101 F N 1.270 121.156 119.950 -0.107 0.000 2.063 101 F HA -0.173 4.355 4.527 0.001 0.000 0.298 101 F C 1.064 176.807 175.800 -0.096 0.000 1.105 101 F CA 1.829 59.842 58.000 0.021 0.000 1.215 101 F CB -0.182 38.802 39.000 -0.027 0.000 0.972 101 F HN 0.143 nan 8.300 nan 0.000 0.483 102 G N -0.482 108.338 108.800 0.032 0.000 3.071 102 G HA2 -0.055 3.905 3.960 0.001 0.000 0.620 102 G HA3 -0.055 3.905 3.960 0.001 0.000 0.620 102 G C 0.344 175.301 174.900 0.094 0.000 1.204 102 G CA 0.070 45.120 45.100 -0.084 0.000 1.200 102 G HN 0.482 nan 8.290 nan 0.000 0.530 103 S N 0.792 116.495 115.700 0.005 0.000 2.392 103 S HA -0.221 4.250 4.470 0.001 0.000 0.232 103 S C 2.438 177.166 174.600 0.213 0.000 1.041 103 S CA 2.563 60.857 58.200 0.157 0.000 1.026 103 S CB -0.143 63.094 63.200 0.061 0.000 0.845 103 S HN 0.782 nan 8.310 nan 0.000 0.465 104 Q N 0.396 120.248 119.800 0.086 0.000 1.990 104 Q HA -0.096 4.244 4.340 0.001 0.000 0.200 104 Q C 2.456 178.473 176.000 0.029 0.000 0.980 104 Q CA 1.140 56.981 55.803 0.063 0.000 0.832 104 Q CB -0.569 28.168 28.738 -0.001 0.000 0.897 104 Q HN 0.484 nan 8.270 nan 0.000 0.427 105 R N -0.039 120.442 120.500 -0.033 0.000 2.133 105 R HA -0.184 4.157 4.340 0.001 0.000 0.247 105 R C 2.067 178.330 176.300 -0.061 0.000 1.151 105 R CA 1.488 57.529 56.100 -0.099 0.000 0.971 105 R CB -0.248 29.884 30.300 -0.280 0.000 0.866 105 R HN 0.164 nan 8.270 nan 0.000 0.447 106 F N -0.124 119.744 119.950 -0.136 0.000 2.113 106 F HA -0.175 4.352 4.527 0.001 0.000 0.297 106 F C 2.725 178.107 175.800 -0.697 0.000 1.103 106 F CA 1.807 59.450 58.000 -0.595 0.000 1.248 106 F CB -0.841 37.374 39.000 -1.308 0.000 0.999 106 F HN 0.000 nan 8.300 nan 0.000 0.475 107 S N -0.192 115.430 115.700 -0.130 0.000 2.374 107 S HA -0.242 4.229 4.470 0.001 0.000 0.227 107 S C 2.360 176.955 174.600 -0.008 0.000 1.037 107 S CA 1.368 59.627 58.200 0.098 0.000 1.024 107 S CB -0.392 63.000 63.200 0.320 0.000 0.861 107 S HN 0.226 nan 8.310 nan 0.000 0.456 108 K N 0.633 121.005 120.400 -0.047 0.000 2.059 108 K HA -0.117 4.203 4.320 0.001 0.000 0.212 108 K C 1.981 178.519 176.600 -0.104 0.000 1.050 108 K CA 1.955 58.199 56.287 -0.073 0.000 0.927 108 K CB -0.555 31.892 32.500 -0.089 0.000 0.714 108 K HN 0.560 nan 8.250 nan 0.000 0.447 109 I N -0.011 120.469 120.570 -0.150 0.000 2.617 109 I HA -0.146 4.024 4.170 0.001 0.000 0.256 109 I C 2.370 178.438 176.117 -0.082 0.000 1.167 109 I CA 0.643 61.848 61.300 -0.157 0.000 1.469 109 I CB -0.252 37.560 38.000 -0.313 0.000 1.098 109 I HN 0.034 nan 8.210 nan 0.000 0.436 110 A N 1.109 123.888 122.820 -0.069 0.000 1.898 110 A HA -0.166 4.154 4.320 0.001 0.000 0.216 110 A C 2.446 179.999 177.584 -0.052 0.000 1.181 110 A CA 2.041 54.109 52.037 0.053 0.000 0.620 110 A CB -0.619 18.522 19.000 0.234 0.000 0.819 110 A HN 0.490 nan 8.150 nan 0.000 0.442 111 S N -0.637 114.923 115.700 -0.233 0.000 2.524 111 S HA 0.042 4.512 4.470 0.001 0.000 0.216 111 S C 0.662 175.149 174.600 -0.188 0.000 0.987 111 S CA -0.045 57.883 58.200 -0.454 0.000 0.909 111 S CB -0.346 62.444 63.200 -0.682 0.000 0.781 111 S HN 0.480 nan 8.310 nan 0.000 0.521 112 N N 2.152 120.788 118.700 -0.106 0.000 2.408 112 N HA 0.172 4.913 4.740 0.001 0.000 0.257 112 N C 0.505 175.995 175.510 -0.032 0.000 1.064 112 N CA 0.250 53.265 53.050 -0.059 0.000 0.952 112 N CB 1.208 39.664 38.487 -0.051 0.000 1.093 112 N HN 0.106 nan 8.380 nan 0.000 0.490 113 T N 3.423 117.967 114.554 -0.017 0.000 2.803 113 T HA -0.176 4.175 4.350 0.001 0.000 0.269 113 T C 1.349 176.050 174.700 0.003 0.000 1.052 113 T CA 1.600 63.700 62.100 0.000 0.000 1.136 113 T CB 0.169 69.041 68.868 0.006 0.000 0.864 113 T HN 0.598 nan 8.240 nan 0.000 0.467 114 Q N 0.360 120.158 119.800 -0.003 0.000 2.204 114 Q HA 0.170 4.511 4.340 0.001 0.000 0.198 114 Q C 2.726 178.724 176.000 -0.004 0.000 0.946 114 Q CA 0.746 56.549 55.803 -0.001 0.000 0.859 114 Q CB -0.161 28.577 28.738 -0.001 0.000 0.946 114 Q HN 0.295 nan 8.270 nan 0.000 0.474 115 S N 0.762 116.453 115.700 -0.015 0.000 2.353 115 S HA -0.221 4.250 4.470 0.001 0.000 0.222 115 S C 1.831 176.437 174.600 0.011 0.000 1.035 115 S CA 1.548 59.732 58.200 -0.027 0.000 1.025 115 S CB -0.244 62.922 63.200 -0.056 0.000 0.902 115 S HN 0.340 nan 8.310 nan 0.000 0.440 116 R N 1.191 121.712 120.500 0.035 0.000 2.097 116 R HA -0.185 4.156 4.340 0.001 0.000 0.236 116 R C 2.417 178.784 176.300 0.112 0.000 1.135 116 R CA 1.873 58.042 56.100 0.114 0.000 0.934 116 R CB -0.291 30.058 30.300 0.082 0.000 0.846 116 R HN 0.131 nan 8.270 nan 0.000 0.431 117 R N 0.434 120.960 120.500 0.044 0.000 2.112 117 R HA -0.123 4.217 4.340 0.001 0.000 0.242 117 R C 2.022 178.323 176.300 0.002 0.000 1.137 117 R CA 2.754 58.864 56.100 0.016 0.000 0.944 117 R CB -1.135 29.170 30.300 0.008 0.000 0.857 117 R HN 0.407 nan 8.270 nan 0.000 0.435 118 T N 1.042 115.587 114.554 -0.014 0.000 2.652 118 T HA -0.165 4.185 4.350 0.001 0.000 0.267 118 T C 1.484 176.122 174.700 -0.103 0.000 1.039 118 T CA 1.518 63.558 62.100 -0.100 0.000 1.153 118 T CB -0.628 68.135 68.868 -0.174 0.000 0.863 118 T HN 0.273 nan 8.240 nan 0.000 0.428 119 F N 2.130 121.962 119.950 -0.197 0.000 2.025 119 F HA -0.140 4.387 4.527 0.001 0.000 0.297 119 F C 2.091 177.855 175.800 -0.060 0.000 1.132 119 F CA 0.849 58.761 58.000 -0.147 0.000 1.191 119 F CB -0.958 37.977 39.000 -0.107 0.000 0.963 119 F HN 0.098 nan 8.300 nan 0.000 0.481 120 I N 0.396 120.824 120.570 -0.237 0.000 2.151 120 I HA -0.382 3.788 4.170 0.001 0.000 0.243 120 I C 2.591 178.625 176.117 -0.139 0.000 1.080 120 I CA 2.105 63.219 61.300 -0.311 0.000 1.339 120 I CB -0.680 37.228 38.000 -0.154 0.000 1.039 120 I HN 0.200 nan 8.210 nan 0.000 0.409 121 K N 1.003 121.366 120.400 -0.061 0.000 2.209 121 K HA -0.169 4.152 4.320 0.001 0.000 0.204 121 K C 2.157 178.777 176.600 0.034 0.000 1.048 121 K CA 1.697 57.984 56.287 -0.001 0.000 0.940 121 K CB -0.002 32.505 32.500 0.011 0.000 0.729 121 K HN 0.421 nan 8.250 nan 0.000 0.451 122 S N -0.588 115.123 115.700 0.019 0.000 2.461 122 S HA -0.039 4.432 4.470 0.001 0.000 0.228 122 S C 1.883 176.570 174.600 0.145 0.000 1.005 122 S CA 0.651 58.931 58.200 0.133 0.000 0.942 122 S CB -0.095 63.215 63.200 0.183 0.000 0.776 122 S HN 0.079 nan 8.310 nan 0.000 0.514 123 V N 3.348 123.281 119.914 0.032 0.000 2.229 123 V HA -0.044 4.077 4.120 0.001 0.000 0.243 123 V C -0.303 175.856 176.094 0.107 0.000 1.042 123 V CA 1.783 64.122 62.300 0.065 0.000 1.000 123 V CB -1.855 29.971 31.823 0.005 0.000 0.637 123 V HN 0.338 nan 8.190 nan 0.000 0.446 124 P HA -0.169 nan 4.420 nan 0.000 0.217 124 P C -1.290 176.024 177.300 0.024 0.000 1.162 124 P CA 2.400 65.469 63.100 -0.052 0.000 0.901 124 P CB -1.470 30.208 31.700 -0.036 0.000 0.793 125 P HA -0.209 nan 4.420 nan 0.000 0.215 125 P C 1.644 179.002 177.300 0.097 0.000 1.157 125 P CA 1.374 64.514 63.100 0.066 0.000 0.868 125 P CB -0.572 31.179 31.700 0.085 0.000 0.788 126 F N 0.655 120.646 119.950 0.068 0.000 2.202 126 F HA -0.145 4.382 4.527 0.000 0.000 0.301 126 F C 2.207 178.118 175.800 0.185 0.000 1.082 126 F CA 1.304 59.398 58.000 0.156 0.000 1.313 126 F CB -0.828 38.306 39.000 0.224 0.000 1.024 126 F HN -0.270 nan 8.300 nan 0.000 0.495 127 L N -0.536 120.892 121.223 0.342 0.000 2.068 127 L HA -0.129 4.212 4.340 0.001 0.000 0.204 127 L C 2.662 179.583 176.870 0.086 0.000 1.076 127 L CA 0.716 55.719 54.840 0.272 0.000 0.753 127 L CB -0.673 41.469 42.059 0.138 0.000 0.910 127 L HN -0.074 nan 8.230 nan 0.000 0.439 128 R N -0.125 120.370 120.500 -0.009 0.000 2.096 128 R HA -0.093 4.248 4.340 0.001 0.000 0.235 128 R C 2.183 178.402 176.300 -0.135 0.000 1.127 128 R CA 1.594 57.653 56.100 -0.068 0.000 0.968 128 R CB -1.424 28.834 30.300 -0.069 0.000 0.861 128 R HN 0.336 nan 8.270 nan 0.000 0.440 129 T N 0.561 114.987 114.554 -0.212 0.000 2.833 129 T HA -0.086 4.264 4.350 0.001 0.000 0.269 129 T C 1.223 175.619 174.700 -0.505 0.000 1.054 129 T CA 1.177 63.037 62.100 -0.400 0.000 1.135 129 T CB -0.132 68.373 68.868 -0.606 0.000 0.869 129 T HN 0.359 nan 8.240 nan 0.000 0.466 130 H N -0.691 118.255 119.070 -0.206 0.000 2.652 130 H HA 0.375 4.931 4.556 0.000 0.000 0.274 130 H C 1.827 176.928 175.328 -0.378 0.000 1.021 130 H CA 0.519 56.429 56.048 -0.231 0.000 1.187 130 H CB 0.542 30.178 29.762 -0.210 0.000 1.505 130 H HN 0.502 nan 8.280 nan 0.000 0.530 131 G N 0.785 109.454 108.800 -0.218 0.000 2.157 131 G HA2 -0.245 3.716 3.960 0.001 0.000 0.239 131 G HA3 -0.245 3.716 3.960 0.001 0.000 0.239 131 G C -0.215 174.459 174.900 -0.376 0.000 0.982 131 G CA -0.331 44.578 45.100 -0.319 0.000 0.650 131 G HN 0.143 nan 8.290 nan 0.000 0.527 132 F N 0.994 120.902 119.950 -0.071 0.000 2.371 132 F HA 0.480 5.007 4.527 0.000 0.000 0.329 132 F C 1.260 177.029 175.800 -0.052 0.000 1.107 132 F CA -0.675 57.288 58.000 -0.060 0.000 1.137 132 F CB 0.900 39.865 39.000 -0.058 0.000 1.214 132 F HN -0.064 nan 8.300 nan 0.000 0.536 133 D N 0.809 121.329 120.400 0.199 0.000 2.339 133 D HA 0.264 4.904 4.640 0.001 0.000 0.217 133 D C 0.802 177.147 176.300 0.075 0.000 1.050 133 D CA 0.527 54.584 54.000 0.095 0.000 0.856 133 D CB 0.631 41.488 40.800 0.094 0.000 0.922 133 D HN 0.662 nan 8.370 nan 0.000 0.518 134 G N 0.206 109.064 108.800 0.096 0.000 2.320 134 G HA2 0.342 4.303 3.960 0.001 0.000 0.296 134 G HA3 0.342 4.303 3.960 0.001 0.000 0.296 134 G C -2.143 172.802 174.900 0.075 0.000 1.306 134 G CA -0.798 44.329 45.100 0.045 0.000 0.836 134 G HN 0.050 nan 8.290 nan 0.000 0.517 135 L N -0.247 121.087 121.223 0.185 0.000 2.304 135 L HA 0.950 5.290 4.340 0.001 0.000 0.268 135 L C -1.102 175.857 176.870 0.148 0.000 1.010 135 L CA -0.636 54.315 54.840 0.186 0.000 0.813 135 L CB 2.230 44.491 42.059 0.336 0.000 1.315 135 L HN 0.723 nan 8.230 nan 0.000 0.445 136 D N 1.419 121.915 120.400 0.159 0.000 2.763 136 D HA 0.338 4.979 4.640 0.001 0.000 0.235 136 D C -1.590 174.859 176.300 0.248 0.000 1.334 136 D CA -0.199 53.904 54.000 0.170 0.000 0.950 136 D CB 0.966 41.908 40.800 0.237 0.000 1.433 136 D HN 0.506 nan 8.370 nan 0.000 0.580 137 L N 2.889 124.244 121.223 0.221 0.000 2.315 137 L HA 0.612 4.952 4.340 0.001 0.000 0.283 137 L C 0.408 177.442 176.870 0.273 0.000 1.089 137 L CA -0.538 54.471 54.840 0.281 0.000 0.833 137 L CB 1.329 43.556 42.059 0.280 0.000 1.170 137 L HN 0.617 nan 8.230 nan 0.000 0.442 138 A N 4.415 127.387 122.820 0.253 0.000 3.219 138 A HA 0.158 4.479 4.320 0.001 0.000 0.314 138 A C -0.834 176.760 177.584 0.016 0.000 1.081 138 A CA -0.451 51.678 52.037 0.153 0.000 0.995 138 A CB -0.117 18.997 19.000 0.190 0.000 1.067 138 A HN 0.710 nan 8.150 nan 0.000 0.533 139 W N 2.761 123.853 121.300 -0.348 0.000 2.416 139 W HA 0.565 5.226 4.660 0.001 0.000 0.318 139 W C -1.418 174.833 176.519 -0.448 0.000 1.150 139 W CA -1.209 55.703 57.345 -0.721 0.000 1.392 139 W CB 0.231 28.993 29.460 -1.163 0.000 1.311 139 W HN 0.322 nan 8.180 nan 0.000 0.436 140 L N 8.866 130.065 121.223 -0.040 0.000 2.353 140 L HA 0.381 4.721 4.340 0.001 0.000 0.270 140 L C -1.188 175.411 176.870 -0.452 0.000 1.003 140 L CA -0.835 53.649 54.840 -0.594 0.000 0.862 140 L CB 0.215 41.813 42.059 -0.769 0.000 1.221 140 L HN 0.199 nan 8.230 nan 0.000 0.430 141 Y N 1.735 122.020 120.300 -0.026 0.000 2.545 141 Y HA 0.549 5.100 4.550 0.001 0.000 0.348 141 Y C -2.346 173.211 175.900 -0.570 0.000 1.002 141 Y CA -2.767 55.155 58.100 -0.297 0.000 1.039 141 Y CB 1.790 40.099 38.460 -0.250 0.000 1.271 141 Y HN 0.354 nan 8.280 nan 0.000 0.467 142 P HA 0.087 nan 4.420 nan 0.000 0.267 142 P C 0.166 177.183 177.300 -0.472 0.000 1.200 142 P CA 0.128 62.510 63.100 -1.196 0.000 0.772 142 P CB 0.629 31.375 31.700 -1.590 0.000 0.855 143 G N 2.096 110.778 108.800 -0.197 0.000 2.563 143 G HA2 0.092 4.053 3.960 0.001 0.000 0.283 143 G HA3 0.092 4.053 3.960 0.001 0.000 0.283 143 G C 0.893 175.696 174.900 -0.162 0.000 1.309 143 G CA -0.527 44.506 45.100 -0.111 0.000 1.022 143 G HN 0.351 nan 8.290 nan 0.000 0.501 144 R N -0.135 120.294 120.500 -0.118 0.000 2.148 144 R HA -0.072 4.269 4.340 0.001 0.000 0.227 144 R C 2.032 178.273 176.300 -0.098 0.000 1.103 144 R CA 1.005 57.032 56.100 -0.122 0.000 0.983 144 R CB -0.794 29.453 30.300 -0.089 0.000 0.874 144 R HN 0.611 nan 8.270 nan 0.000 0.451 145 R N 0.812 121.278 120.500 -0.056 0.000 2.299 145 R HA 0.114 4.455 4.340 0.001 0.000 0.197 145 R C 0.514 176.776 176.300 -0.063 0.000 0.971 145 R CA 0.846 56.923 56.100 -0.037 0.000 1.030 145 R CB -0.145 30.176 30.300 0.035 0.000 0.932 145 R HN 0.088 nan 8.270 nan 0.000 0.477 146 D N 0.555 120.929 120.400 -0.042 0.000 2.398 146 D HA 0.035 4.676 4.640 0.001 0.000 0.210 146 D C 0.903 177.160 176.300 -0.071 0.000 1.094 146 D CA -0.007 54.013 54.000 0.033 0.000 0.839 146 D CB 0.281 41.167 40.800 0.144 0.000 0.963 146 D HN 0.259 nan 8.370 nan 0.000 0.506 147 K N 1.567 121.888 120.400 -0.133 0.000 2.052 147 K HA -0.247 4.073 4.320 0.001 0.000 0.215 147 K C 2.172 178.785 176.600 0.021 0.000 1.053 147 K CA 1.701 57.946 56.287 -0.070 0.000 0.934 147 K CB 0.175 32.624 32.500 -0.086 0.000 0.717 147 K HN 0.155 nan 8.250 nan 0.000 0.450 148 Q N -0.683 119.073 119.800 -0.073 0.000 2.046 148 Q HA -0.207 4.133 4.340 0.001 0.000 0.200 148 Q C 1.919 177.953 176.000 0.057 0.000 0.975 148 Q CA 1.841 57.616 55.803 -0.047 0.000 0.836 148 Q CB -0.783 27.876 28.738 -0.131 0.000 0.896 148 Q HN 0.642 nan 8.270 nan 0.000 0.428 149 H N -0.154 119.007 119.070 0.152 0.000 2.352 149 H HA -0.111 4.445 4.556 0.001 0.000 0.299 149 H C 1.708 177.204 175.328 0.279 0.000 1.097 149 H CA 1.296 57.473 56.048 0.215 0.000 1.311 149 H CB -0.169 29.773 29.762 0.299 0.000 1.377 149 H HN 0.255 nan 8.280 nan 0.000 0.504 150 F N 1.284 121.370 119.950 0.227 0.000 2.546 150 F HA -0.124 4.404 4.527 0.001 0.000 0.298 150 F C 1.752 177.627 175.800 0.124 0.000 1.120 150 F CA 0.994 59.085 58.000 0.152 0.000 1.456 150 F CB -0.039 38.833 39.000 -0.214 0.000 1.088 150 F HN -0.029 nan 8.300 nan 0.000 0.572 151 T N -1.334 113.216 114.554 -0.006 0.000 3.010 151 T HA -0.055 4.295 4.350 0.001 0.000 0.252 151 T C 1.886 176.547 174.700 -0.066 0.000 1.047 151 T CA 1.434 63.490 62.100 -0.074 0.000 1.140 151 T CB -0.197 68.689 68.868 0.030 0.000 0.885 151 T HN 0.166 nan 8.240 nan 0.000 0.464 152 T N 3.046 117.605 114.554 0.008 0.000 2.674 152 T HA -0.047 4.303 4.350 0.001 0.000 0.265 152 T C 1.906 176.582 174.700 -0.040 0.000 1.039 152 T CA 0.967 63.069 62.100 0.003 0.000 1.150 152 T CB -0.535 68.380 68.868 0.078 0.000 0.864 152 T HN 0.100 nan 8.240 nan 0.000 0.427 153 L N 1.436 122.665 121.223 0.009 0.000 1.965 153 L HA -0.151 4.189 4.340 0.001 0.000 0.226 153 L C 2.251 179.043 176.870 -0.131 0.000 1.083 153 L CA 1.816 56.659 54.840 0.005 0.000 0.790 153 L CB -0.832 41.304 42.059 0.129 0.000 0.898 153 L HN 0.295 nan 8.230 nan 0.000 0.439 154 I N -0.704 119.725 120.570 -0.235 0.000 2.194 154 I HA -0.383 3.787 4.170 0.001 0.000 0.246 154 I C 2.643 178.592 176.117 -0.281 0.000 1.093 154 I CA 1.939 63.075 61.300 -0.273 0.000 1.355 154 I CB -0.595 37.212 38.000 -0.321 0.000 1.046 154 I HN 0.418 nan 8.210 nan 0.000 0.413 155 K N 1.132 121.351 120.400 -0.303 0.000 2.032 155 K HA -0.217 4.103 4.320 0.001 0.000 0.209 155 K C 1.988 178.348 176.600 -0.401 0.000 1.048 155 K CA 1.799 57.757 56.287 -0.547 0.000 0.927 155 K CB -0.002 32.236 32.500 -0.436 0.000 0.712 155 K HN 0.391 nan 8.250 nan 0.000 0.441 156 E N 0.106 120.154 120.200 -0.254 0.000 2.072 156 E HA -0.199 4.152 4.350 0.001 0.000 0.190 156 E C 1.993 178.454 176.600 -0.231 0.000 0.982 156 E CA 1.116 57.401 56.400 -0.192 0.000 0.803 156 E CB -0.135 29.497 29.700 -0.114 0.000 0.755 156 E HN 0.240 nan 8.360 nan 0.000 0.453 157 M N 1.695 121.114 119.600 -0.302 0.000 2.108 157 M HA -0.188 4.292 4.480 0.001 0.000 0.261 157 M C 2.075 177.954 176.300 -0.701 0.000 1.066 157 M CA 1.647 56.661 55.300 -0.478 0.000 1.107 157 M CB 0.016 32.296 32.600 -0.534 0.000 1.356 157 M HN -0.181 nan 8.290 nan 0.000 0.406 158 K N 0.052 120.127 120.400 -0.541 0.000 2.148 158 K HA 0.046 4.366 4.320 0.001 0.000 0.204 158 K C 1.741 178.226 176.600 -0.192 0.000 1.050 158 K CA 1.577 57.615 56.287 -0.416 0.000 0.942 158 K CB -0.555 31.800 32.500 -0.241 0.000 0.724 158 K HN 0.393 nan 8.250 nan 0.000 0.446 159 A N 0.660 123.370 122.820 -0.184 0.000 1.877 159 A HA -0.182 4.139 4.320 0.001 0.000 0.216 159 A C 2.129 179.706 177.584 -0.012 0.000 1.186 159 A CA 1.969 53.954 52.037 -0.086 0.000 0.620 159 A CB -0.792 18.147 19.000 -0.101 0.000 0.822 159 A HN 0.469 nan 8.150 nan 0.000 0.443 160 E N -0.807 119.381 120.200 -0.019 0.000 2.160 160 E HA -0.157 4.194 4.350 0.001 0.000 0.195 160 E C 1.490 178.251 176.600 0.267 0.000 0.991 160 E CA 1.225 57.679 56.400 0.091 0.000 0.810 160 E CB -0.359 29.389 29.700 0.080 0.000 0.742 160 E HN 0.545 nan 8.360 nan 0.000 0.466 161 F N -0.060 119.866 119.950 -0.040 0.000 2.259 161 F HA 0.028 4.555 4.527 0.001 0.000 0.298 161 F C 2.021 177.815 175.800 -0.010 0.000 1.088 161 F CA 0.518 58.505 58.000 -0.022 0.000 1.358 161 F CB -0.514 38.474 39.000 -0.021 0.000 1.040 161 F HN 0.098 nan 8.300 nan 0.000 0.505 162 I N -0.290 120.392 120.570 0.187 0.000 2.333 162 I HA -0.250 3.921 4.170 0.001 0.000 0.246 162 I C 2.479 178.637 176.117 0.068 0.000 1.106 162 I CA 1.070 62.430 61.300 0.100 0.000 1.411 162 I CB -0.471 37.566 38.000 0.062 0.000 1.082 162 I HN 0.015 nan 8.210 nan 0.000 0.420 163 K N 1.192 121.630 120.400 0.063 0.000 2.057 163 K HA -0.249 4.072 4.320 0.001 0.000 0.207 163 K C 2.219 178.842 176.600 0.040 0.000 1.049 163 K CA 1.551 57.863 56.287 0.042 0.000 0.931 163 K CB -0.084 32.437 32.500 0.035 0.000 0.714 163 K HN 0.171 nan 8.250 nan 0.000 0.440 164 E N 0.335 120.565 120.200 0.051 0.000 2.106 164 E HA -0.147 4.203 4.350 0.001 0.000 0.192 164 E C 1.674 178.281 176.600 0.013 0.000 0.984 164 E CA 1.229 57.644 56.400 0.026 0.000 0.806 164 E CB -0.031 29.678 29.700 0.015 0.000 0.750 164 E HN 0.437 nan 8.360 nan 0.000 0.458 165 A N 0.892 123.725 122.820 0.022 0.000 2.016 165 A HA -0.114 4.206 4.320 0.001 0.000 0.217 165 A C 2.004 179.598 177.584 0.016 0.000 1.162 165 A CA 0.670 52.715 52.037 0.014 0.000 0.662 165 A CB -0.260 18.755 19.000 0.025 0.000 0.812 165 A HN 0.157 nan 8.150 nan 0.000 0.450 166 Q N 0.033 119.847 119.800 0.022 0.000 2.165 166 Q HA -0.238 4.103 4.340 0.001 0.000 0.215 166 Q C -0.087 175.920 176.000 0.012 0.000 1.010 166 Q CA 2.621 58.436 55.803 0.019 0.000 0.896 166 Q CB -2.248 26.502 28.738 0.019 0.000 0.956 166 Q HN 0.516 nan 8.270 nan 0.000 0.413 167 P HA -0.129 nan 4.420 nan 0.000 0.217 167 P C 0.477 177.780 177.300 0.003 0.000 1.151 167 P CA 2.267 65.370 63.100 0.005 0.000 0.849 167 P CB -0.099 31.602 31.700 0.002 0.000 0.787 168 G N -3.295 105.507 108.800 0.003 0.000 3.268 168 G HA2 -0.082 3.879 3.960 0.001 0.000 0.220 168 G HA3 -0.082 3.879 3.960 0.001 0.000 0.220 168 G C -0.039 174.860 174.900 -0.000 0.000 0.942 168 G CA -0.594 44.507 45.100 0.002 0.000 0.918 168 G HN 0.207 nan 8.290 nan 0.000 0.658 169 K N 0.459 120.859 120.400 -0.002 0.000 2.120 169 K HA 0.466 4.786 4.320 0.001 0.000 0.245 169 K C 0.179 176.777 176.600 -0.002 0.000 1.024 169 K CA -0.438 55.845 56.287 -0.007 0.000 0.906 169 K CB 0.589 33.081 32.500 -0.014 0.000 1.051 169 K HN -0.135 nan 8.250 nan 0.000 0.491 170 K N 2.740 123.136 120.400 -0.007 0.000 2.310 170 K HA 0.032 4.352 4.320 0.001 0.000 0.290 170 K C -0.463 176.137 176.600 0.000 0.000 1.077 170 K CA 0.198 56.486 56.287 0.001 0.000 0.922 170 K CB 0.808 33.306 32.500 -0.004 0.000 1.057 170 K HN 0.512 nan 8.250 nan 0.000 0.479 171 Q N 3.191 123.002 119.800 0.019 0.000 2.333 171 Q HA -0.018 4.322 4.340 0.001 0.000 0.299 171 Q C -0.231 175.777 176.000 0.014 0.000 1.067 171 Q CA 0.131 55.951 55.803 0.029 0.000 0.943 171 Q CB 0.535 29.314 28.738 0.069 0.000 1.233 171 Q HN 0.481 nan 8.270 nan 0.000 0.401 172 L N 4.537 125.723 121.223 -0.062 0.000 2.453 172 L HA 0.093 4.434 4.340 0.001 0.000 0.272 172 L C 0.020 176.935 176.870 0.076 0.000 1.182 172 L CA -0.126 54.603 54.840 -0.185 0.000 0.858 172 L CB 0.205 41.776 42.059 -0.814 0.000 1.120 172 L HN 0.539 nan 8.230 nan 0.000 0.474 173 L N 4.203 125.493 121.223 0.111 0.000 2.371 173 L HA 0.315 4.656 4.340 0.001 0.000 0.272 173 L C -0.349 176.685 176.870 0.275 0.000 1.124 173 L CA -0.346 54.613 54.840 0.198 0.000 0.816 173 L CB 1.265 43.442 42.059 0.197 0.000 1.129 173 L HN 0.405 nan 8.230 nan 0.000 0.448 174 L N 3.356 124.677 121.223 0.163 0.000 2.406 174 L HA 0.533 4.873 4.340 0.001 0.000 0.272 174 L C -0.271 176.478 176.870 -0.202 0.000 0.980 174 L CA 0.158 55.030 54.840 0.053 0.000 0.831 174 L CB 1.738 43.753 42.059 -0.074 0.000 1.253 174 L HN 0.695 nan 8.230 nan 0.000 0.406 175 S N 3.444 118.978 115.700 -0.276 0.000 2.667 175 S HA 1.040 5.511 4.470 0.001 0.000 0.292 175 S C -0.742 173.761 174.600 -0.162 0.000 1.126 175 S CA -0.301 57.593 58.200 -0.509 0.000 0.881 175 S CB 1.912 64.416 63.200 -1.160 0.000 1.132 175 S HN 1.172 nan 8.310 nan 0.000 0.492 176 A N 0.083 122.851 122.820 -0.088 0.000 2.486 176 A HA 0.876 5.197 4.320 0.001 0.000 0.300 176 A C -0.542 177.126 177.584 0.141 0.000 1.048 176 A CA -0.543 51.547 52.037 0.088 0.000 0.696 176 A CB 1.272 20.341 19.000 0.116 0.000 1.278 176 A HN 1.743 nan 8.150 nan 0.000 0.405 177 A N 2.274 125.220 122.820 0.209 0.000 2.260 177 A HA 0.698 5.018 4.320 0.001 0.000 0.308 177 A C -0.422 177.231 177.584 0.116 0.000 1.254 177 A CA -0.247 51.925 52.037 0.224 0.000 0.874 177 A CB -0.005 19.164 19.000 0.282 0.000 1.153 177 A HN 0.812 nan 8.150 nan 0.000 0.527 178 L N 1.542 122.792 121.223 0.045 0.000 2.322 178 L HA 0.524 4.865 4.340 0.001 0.000 0.269 178 L C 0.918 177.839 176.870 0.085 0.000 1.012 178 L CA -0.741 54.068 54.840 -0.051 0.000 0.815 178 L CB 1.918 43.770 42.059 -0.346 0.000 1.295 178 L HN 0.706 nan 8.230 nan 0.000 0.438 179 S N 0.179 116.020 115.700 0.235 0.000 2.585 179 S HA 0.364 4.834 4.470 0.001 0.000 0.273 179 S C 0.708 175.349 174.600 0.069 0.000 1.339 179 S CA 0.172 58.442 58.200 0.117 0.000 1.028 179 S CB 1.416 64.529 63.200 -0.146 0.000 0.906 179 S HN 0.694 nan 8.310 nan 0.000 0.528 180 A N 3.360 126.178 122.820 -0.005 0.000 2.303 180 A HA 0.427 4.748 4.320 0.001 0.000 0.217 180 A C 1.093 178.845 177.584 0.281 0.000 1.205 180 A CA 0.321 52.442 52.037 0.140 0.000 0.875 180 A CB -0.510 18.527 19.000 0.061 0.000 0.910 180 A HN 0.937 nan 8.150 nan 0.000 0.501 181 G N 0.245 109.118 108.800 0.121 0.000 2.360 181 G HA2 0.302 4.263 3.960 0.001 0.000 0.279 181 G HA3 0.302 4.263 3.960 0.001 0.000 0.279 181 G C 0.698 175.561 174.900 -0.062 0.000 1.189 181 G CA 0.168 45.315 45.100 0.079 0.000 0.941 181 G HN 0.455 nan 8.290 nan 0.000 0.445 182 K N 2.486 122.769 120.400 -0.195 0.000 2.034 182 K HA -0.193 4.128 4.320 0.001 0.000 0.214 182 K C 2.332 178.742 176.600 -0.317 0.000 1.051 182 K CA 1.971 58.041 56.287 -0.361 0.000 0.931 182 K CB -0.237 31.691 32.500 -0.954 0.000 0.715 182 K HN 0.331 nan 8.250 nan 0.000 0.446 183 V N 1.316 120.993 119.914 -0.395 0.000 2.250 183 V HA -0.320 3.801 4.120 0.001 0.000 0.250 183 V C 2.357 178.311 176.094 -0.234 0.000 1.060 183 V CA 2.527 64.661 62.300 -0.277 0.000 1.030 183 V CB -1.018 30.675 31.823 -0.217 0.000 0.643 183 V HN 0.542 nan 8.190 nan 0.000 0.445 184 T N 0.267 114.660 114.554 -0.267 0.000 2.684 184 T HA -0.156 4.194 4.350 0.001 0.000 0.267 184 T C 1.825 176.292 174.700 -0.388 0.000 1.036 184 T CA 1.969 63.842 62.100 -0.377 0.000 1.148 184 T CB -0.357 68.185 68.868 -0.544 0.000 0.863 184 T HN 0.366 nan 8.240 nan 0.000 0.436 185 I N 1.351 121.817 120.570 -0.173 0.000 2.208 185 I HA -0.198 3.972 4.170 0.001 0.000 0.245 185 I C 2.279 178.383 176.117 -0.023 0.000 1.097 185 I CA 1.273 62.592 61.300 0.032 0.000 1.363 185 I CB -0.412 37.757 38.000 0.280 0.000 1.051 185 I HN 0.190 nan 8.210 nan 0.000 0.413 186 D N 0.335 120.718 120.400 -0.029 0.000 2.149 186 D HA -0.117 4.524 4.640 0.001 0.000 0.201 186 D C 2.370 178.604 176.300 -0.111 0.000 0.972 186 D CA 1.802 55.789 54.000 -0.022 0.000 0.835 186 D CB -0.069 40.726 40.800 -0.008 0.000 0.966 186 D HN 0.380 nan 8.370 nan 0.000 0.476 187 S N -0.470 115.115 115.700 -0.191 0.000 2.425 187 S HA 0.023 4.494 4.470 0.001 0.000 0.225 187 S C 1.977 176.395 174.600 -0.304 0.000 1.024 187 S CA 0.567 58.641 58.200 -0.210 0.000 0.951 187 S CB 0.182 63.261 63.200 -0.201 0.000 0.796 187 S HN -0.013 nan 8.310 nan 0.000 0.498 188 S N -0.100 115.290 115.700 -0.516 0.000 2.497 188 S HA 0.391 4.862 4.470 0.001 0.000 0.218 188 S C -0.534 173.678 174.600 -0.646 0.000 1.023 188 S CA -0.282 57.461 58.200 -0.762 0.000 0.913 188 S CB -0.032 62.433 63.200 -1.225 0.000 0.800 188 S HN 0.604 nan 8.310 nan 0.000 0.505 189 Y N 0.916 121.143 120.300 -0.123 0.000 2.562 189 Y HA 0.603 5.154 4.550 0.001 0.000 0.343 189 Y C -0.209 175.690 175.900 -0.002 0.000 1.025 189 Y CA -2.148 55.937 58.100 -0.025 0.000 1.082 189 Y CB 0.671 39.124 38.460 -0.012 0.000 1.264 189 Y HN -0.127 nan 8.280 nan 0.000 0.478 190 D N 2.172 122.707 120.400 0.225 0.000 2.634 190 D HA 0.190 4.831 4.640 0.001 0.000 0.318 190 D C 0.949 177.296 176.300 0.079 0.000 1.226 190 D CA -0.025 54.037 54.000 0.103 0.000 0.899 190 D CB 0.246 41.091 40.800 0.075 0.000 1.025 190 D HN 0.443 nan 8.370 nan 0.000 0.501 191 I N 1.458 122.069 120.570 0.068 0.000 2.147 191 I HA -0.373 3.797 4.170 0.001 0.000 0.245 191 I C 2.508 178.609 176.117 -0.026 0.000 1.059 191 I CA 1.422 62.724 61.300 0.004 0.000 1.320 191 I CB -1.574 36.404 38.000 -0.036 0.000 1.021 191 I HN 0.296 nan 8.210 nan 0.000 0.415 192 A N 0.846 123.645 122.820 -0.034 0.000 1.894 192 A HA -0.310 4.010 4.320 0.001 0.000 0.220 192 A C 2.394 179.940 177.584 -0.063 0.000 1.237 192 A CA 2.728 54.736 52.037 -0.049 0.000 0.660 192 A CB -0.691 18.285 19.000 -0.040 0.000 0.835 192 A HN 0.505 nan 8.150 nan 0.000 0.461 193 K N -0.452 119.920 120.400 -0.047 0.000 1.995 193 K HA 0.033 4.354 4.320 0.001 0.000 0.207 193 K C 2.068 178.595 176.600 -0.123 0.000 1.041 193 K CA 1.259 57.500 56.287 -0.076 0.000 0.942 193 K CB -0.608 31.888 32.500 -0.007 0.000 0.731 193 K HN 0.711 nan 8.250 nan 0.000 0.439 194 I N -0.066 120.481 120.570 -0.038 0.000 2.181 194 I HA -0.342 3.828 4.170 0.001 0.000 0.247 194 I C 1.892 177.951 176.117 -0.098 0.000 1.081 194 I CA 1.682 62.958 61.300 -0.041 0.000 1.340 194 I CB -0.702 37.282 38.000 -0.026 0.000 1.036 194 I HN -0.047 nan 8.210 nan 0.000 0.417 195 S N 1.150 116.793 115.700 -0.095 0.000 2.407 195 S HA -0.273 4.198 4.470 0.001 0.000 0.235 195 S C 1.957 176.481 174.600 -0.126 0.000 1.036 195 S CA 2.123 60.269 58.200 -0.090 0.000 1.013 195 S CB -0.506 62.651 63.200 -0.071 0.000 0.820 195 S HN 0.803 nan 8.310 nan 0.000 0.476 196 Q N -0.076 119.580 119.800 -0.239 0.000 2.212 196 Q HA -0.027 4.313 4.340 0.001 0.000 0.199 196 Q C 1.176 177.013 176.000 -0.272 0.000 0.950 196 Q CA 1.041 56.674 55.803 -0.284 0.000 0.863 196 Q CB -0.423 28.091 28.738 -0.373 0.000 0.944 196 Q HN 0.607 nan 8.270 nan 0.000 0.465 197 H N 0.308 119.341 119.070 -0.062 0.000 2.551 197 H HA 0.300 4.856 4.556 0.001 0.000 0.266 197 H C 0.517 175.787 175.328 -0.098 0.000 0.964 197 H CA 0.156 56.154 56.048 -0.082 0.000 1.180 197 H CB 0.412 30.106 29.762 -0.114 0.000 1.408 197 H HN 0.167 nan 8.280 nan 0.000 0.563 198 L N 1.015 122.229 121.223 -0.016 0.000 2.357 198 L HA 0.105 4.446 4.340 0.001 0.000 0.273 198 L C 1.148 177.993 176.870 -0.041 0.000 1.080 198 L CA -0.439 54.363 54.840 -0.063 0.000 0.803 198 L CB 1.308 43.315 42.059 -0.087 0.000 1.174 198 L HN -0.046 nan 8.230 nan 0.000 0.443 199 D N 1.326 121.683 120.400 -0.072 0.000 2.137 199 D HA 0.023 4.663 4.640 0.001 0.000 0.202 199 D C -0.126 176.249 176.300 0.126 0.000 0.970 199 D CA 1.453 55.469 54.000 0.026 0.000 0.837 199 D CB 0.376 41.211 40.800 0.058 0.000 0.981 199 D HN 0.327 nan 8.370 nan 0.000 0.475 200 F N -1.218 118.738 119.950 0.010 0.000 2.686 200 F HA 0.560 5.088 4.527 0.001 0.000 0.311 200 F C -1.569 174.237 175.800 0.011 0.000 1.128 200 F CA -1.383 56.616 58.000 -0.003 0.000 0.946 200 F CB 1.109 40.087 39.000 -0.037 0.000 1.336 200 F HN -0.372 nan 8.300 nan 0.000 0.457 201 I N 2.246 123.008 120.570 0.320 0.000 2.439 201 I HA 0.313 4.484 4.170 0.001 0.000 0.283 201 I C -0.763 175.526 176.117 0.286 0.000 1.023 201 I CA -0.635 60.781 61.300 0.193 0.000 1.100 201 I CB 1.997 40.040 38.000 0.072 0.000 1.238 201 I HN 0.629 nan 8.210 nan 0.000 0.445 202 S N 7.069 122.970 115.700 0.335 0.000 2.430 202 S HA 0.416 4.886 4.470 0.001 0.000 0.289 202 S C -0.148 174.569 174.600 0.195 0.000 1.143 202 S CA -0.353 58.035 58.200 0.313 0.000 1.067 202 S CB 0.818 64.289 63.200 0.452 0.000 0.964 202 S HN 0.454 nan 8.310 nan 0.000 0.485 203 I N 4.464 125.119 120.570 0.141 0.000 2.297 203 I HA 0.246 4.416 4.170 0.001 0.000 0.291 203 I C -0.055 176.068 176.117 0.009 0.000 1.033 203 I CA -0.760 60.583 61.300 0.072 0.000 1.253 203 I CB 0.504 38.553 38.000 0.081 0.000 1.396 203 I HN 0.630 nan 8.210 nan 0.000 0.476 204 M N 7.313 126.847 119.600 -0.110 0.000 3.268 204 M HA 0.058 4.538 4.480 0.001 0.000 0.249 204 M C 0.537 176.383 176.300 -0.756 0.000 1.527 204 M CA 0.065 55.062 55.300 -0.505 0.000 1.645 204 M CB -0.860 31.454 32.600 -0.477 0.000 1.193 204 M HN 0.548 nan 8.290 nan 0.000 0.534 205 T N -0.048 114.227 114.554 -0.465 0.000 4.058 205 T HA 0.331 4.681 4.350 0.001 0.000 0.252 205 T C -0.517 173.996 174.700 -0.312 0.000 1.264 205 T CA -0.390 61.534 62.100 -0.293 0.000 1.094 205 T CB -0.977 67.933 68.868 0.070 0.000 1.316 205 T HN 0.543 nan 8.240 nan 0.000 0.872 206 Y N -2.850 117.212 120.300 -0.397 0.000 2.840 206 Y HA 0.606 5.156 4.550 0.001 0.000 0.324 206 Y C -0.271 175.469 175.900 -0.268 0.000 1.378 206 Y CA -1.933 56.023 58.100 -0.240 0.000 1.077 206 Y CB 0.060 38.554 38.460 0.057 0.000 1.361 206 Y HN 0.108 nan 8.280 nan 0.000 0.459 207 D N -0.275 120.481 120.400 0.595 0.000 2.870 207 D HA -0.190 4.451 4.640 0.001 0.000 0.228 207 D C 0.030 176.425 176.300 0.159 0.000 1.147 207 D CA 0.982 55.200 54.000 0.362 0.000 0.757 207 D CB -1.138 39.802 40.800 0.233 0.000 1.091 207 D HN 0.538 nan 8.370 nan 0.000 0.429 208 F N -0.560 119.570 119.950 0.299 0.000 2.743 208 F HA 0.080 4.608 4.527 0.001 0.000 0.297 208 F C 1.371 177.309 175.800 0.230 0.000 1.131 208 F CA 0.360 58.485 58.000 0.208 0.000 1.426 208 F CB 0.183 39.278 39.000 0.157 0.000 1.116 208 F HN 0.077 nan 8.300 nan 0.000 0.583 209 H N -0.367 118.913 119.070 0.349 0.000 2.866 209 H HA 0.506 5.062 4.556 0.001 0.000 0.287 209 H C 0.407 175.830 175.328 0.159 0.000 1.106 209 H CA -0.674 55.491 56.048 0.196 0.000 1.396 209 H CB 0.276 30.160 29.762 0.204 0.000 1.469 209 H HN 0.101 nan 8.280 nan 0.000 0.500 210 G N 1.898 110.571 108.800 -0.211 0.000 2.491 210 G HA2 0.287 4.247 3.960 0.001 0.000 0.242 210 G HA3 0.287 4.247 3.960 0.001 0.000 0.242 210 G C 0.958 175.645 174.900 -0.354 0.000 1.266 210 G CA 0.038 45.025 45.100 -0.188 0.000 0.844 210 G HN 0.798 nan 8.290 nan 0.000 0.571 211 A N 2.404 125.281 122.820 0.095 0.000 2.121 211 A HA -0.021 4.299 4.320 0.001 0.000 0.218 211 A C 1.854 179.421 177.584 -0.028 0.000 1.154 211 A CA 1.351 53.494 52.037 0.177 0.000 0.679 211 A CB -0.526 18.684 19.000 0.350 0.000 0.795 211 A HN 0.986 nan 8.150 nan 0.000 0.458 212 W N -0.065 121.244 121.300 0.015 0.000 2.721 212 W HA -0.039 4.621 4.660 0.001 0.000 0.245 212 W C 1.122 177.602 176.519 -0.066 0.000 1.276 212 W CA 0.535 57.868 57.345 -0.019 0.000 1.342 212 W CB -0.554 28.898 29.460 -0.013 0.000 1.135 212 W HN 0.279 nan 8.180 nan 0.000 0.654 213 R N 0.811 120.897 120.500 -0.691 0.000 2.276 213 R HA 0.084 4.425 4.340 0.001 0.000 0.203 213 R C 2.031 178.151 176.300 -0.299 0.000 1.017 213 R CA 0.865 56.576 56.100 -0.648 0.000 1.010 213 R CB -0.614 29.090 30.300 -0.994 0.000 0.900 213 R HN 0.302 nan 8.270 nan 0.000 0.469 214 G N 1.239 109.896 108.800 -0.237 0.000 2.155 214 G HA2 -0.304 3.656 3.960 0.001 0.000 0.257 214 G HA3 -0.304 3.656 3.960 0.001 0.000 0.257 214 G C 0.111 174.861 174.900 -0.251 0.000 0.983 214 G CA 0.789 45.784 45.100 -0.174 0.000 0.676 214 G HN 0.458 nan 8.290 nan 0.000 0.528 215 T N -2.135 112.203 114.554 -0.360 0.000 2.933 215 T HA 0.666 5.017 4.350 0.001 0.000 0.305 215 T C 0.006 174.274 174.700 -0.719 0.000 1.092 215 T CA 0.335 62.178 62.100 -0.428 0.000 1.008 215 T CB 1.770 70.458 68.868 -0.300 0.000 1.102 215 T HN 1.324 nan 8.240 nan 0.000 0.469 216 T N 0.150 114.117 114.554 -0.977 0.000 2.928 216 T HA 0.548 4.899 4.350 0.001 0.000 0.305 216 T C 0.573 174.458 174.700 -1.358 0.000 1.035 216 T CA -0.200 60.964 62.100 -1.561 0.000 1.145 216 T CB 0.277 67.895 68.868 -2.084 0.000 0.963 216 T HN 1.396 nan 8.240 nan 0.000 0.545 217 G N 1.407 109.493 108.800 -1.190 0.000 2.760 217 G HA2 0.354 4.315 3.960 0.001 0.000 0.296 217 G HA3 0.354 4.315 3.960 0.001 0.000 0.296 217 G C -1.197 173.748 174.900 0.075 0.000 1.427 217 G CA -0.823 43.703 45.100 -0.957 0.000 1.109 217 G HN 0.957 nan 8.290 nan 0.000 0.553 218 H N 1.447 120.655 119.070 0.230 0.000 2.975 218 H HA 0.027 4.583 4.556 0.001 0.000 0.303 218 H C 1.500 177.011 175.328 0.304 0.000 1.023 218 H CA 0.615 56.895 56.048 0.386 0.000 1.473 218 H CB 0.880 30.795 29.762 0.254 0.000 1.498 218 H HN 0.839 nan 8.280 nan 0.000 0.549 219 H N 1.651 120.841 119.070 0.201 0.000 2.563 219 H HA 0.096 4.653 4.556 0.001 0.000 0.272 219 H C 0.190 175.754 175.328 0.394 0.000 1.005 219 H CA 0.484 56.716 56.048 0.307 0.000 1.171 219 H CB 0.524 30.390 29.762 0.173 0.000 1.351 219 H HN 0.239 nan 8.280 nan 0.000 0.602 220 S N 1.587 117.265 115.700 -0.038 0.000 2.512 220 S HA 0.231 4.702 4.470 0.001 0.000 0.161 220 S C -2.943 171.755 174.600 0.164 0.000 1.383 220 S CA -1.141 57.089 58.200 0.049 0.000 1.248 220 S CB 0.260 63.236 63.200 -0.374 0.000 1.488 220 S HN 0.274 nan 8.310 nan 0.000 0.382 221 P HA 0.210 nan 4.420 nan 0.000 0.277 221 P C 0.802 178.000 177.300 -0.170 0.000 1.240 221 P CA -0.620 62.411 63.100 -0.115 0.000 0.798 221 P CB 1.171 32.835 31.700 -0.061 0.000 0.979 222 L N 2.189 123.236 121.223 -0.294 0.000 2.068 222 L HA 0.203 4.543 4.340 0.001 0.000 0.204 222 L C 0.427 176.795 176.870 -0.836 0.000 1.076 222 L CA 1.750 56.221 54.840 -0.615 0.000 0.753 222 L CB -0.805 40.827 42.059 -0.711 0.000 0.910 222 L HN 0.255 nan 8.230 nan 0.000 0.439 223 F N -1.968 117.881 119.950 -0.168 0.000 2.618 223 F HA 0.418 4.945 4.527 0.001 0.000 0.332 223 F C 1.602 177.335 175.800 -0.111 0.000 1.061 223 F CA -0.769 57.152 58.000 -0.131 0.000 0.974 223 F CB 0.702 39.642 39.000 -0.099 0.000 1.310 223 F HN -0.298 nan 8.300 nan 0.000 0.491 224 R N 0.831 121.402 120.500 0.119 0.000 2.193 224 R HA 0.144 4.485 4.340 0.001 0.000 0.229 224 R C 0.954 177.257 176.300 0.005 0.000 1.110 224 R CA 1.231 57.336 56.100 0.007 0.000 0.988 224 R CB -0.584 29.709 30.300 -0.013 0.000 0.871 224 R HN 1.021 nan 8.270 nan 0.000 0.458 225 G N 0.367 109.192 108.800 0.042 0.000 2.562 225 G HA2 -0.403 3.557 3.960 0.001 0.000 0.250 225 G HA3 -0.403 3.557 3.960 0.001 0.000 0.250 225 G C -0.845 174.046 174.900 -0.015 0.000 1.269 225 G CA 0.202 45.310 45.100 0.013 0.000 0.919 225 G HN 0.554 nan 8.290 nan 0.000 0.574 226 Q N 0.402 120.191 119.800 -0.019 0.000 2.264 226 Q HA 0.077 4.417 4.340 0.001 0.000 0.296 226 Q C 1.582 177.557 176.000 -0.041 0.000 1.103 226 Q CA 0.722 56.507 55.803 -0.029 0.000 0.967 226 Q CB 0.393 29.116 28.738 -0.026 0.000 1.090 226 Q HN 0.585 nan 8.270 nan 0.000 0.379 227 E N 3.512 123.687 120.200 -0.042 0.000 2.169 227 E HA -0.275 4.076 4.350 0.001 0.000 0.202 227 E C 0.810 177.374 176.600 -0.061 0.000 1.016 227 E CA 2.297 58.667 56.400 -0.050 0.000 0.817 227 E CB 0.230 29.905 29.700 -0.043 0.000 0.736 227 E HN 0.904 nan 8.360 nan 0.000 0.462 228 D N -1.525 118.842 120.400 -0.056 0.000 2.355 228 D HA 0.088 4.729 4.640 0.001 0.000 0.206 228 D C 1.633 177.891 176.300 -0.069 0.000 1.010 228 D CA 0.832 54.796 54.000 -0.061 0.000 0.875 228 D CB -0.262 40.508 40.800 -0.051 0.000 0.966 228 D HN 0.121 nan 8.370 nan 0.000 0.512 229 A N 0.449 123.229 122.820 -0.066 0.000 2.168 229 A HA 0.125 4.446 4.320 0.001 0.000 0.215 229 A C 1.338 178.868 177.584 -0.090 0.000 1.152 229 A CA 0.566 52.557 52.037 -0.077 0.000 0.716 229 A CB -0.665 18.295 19.000 -0.067 0.000 0.794 229 A HN 0.366 nan 8.150 nan 0.000 0.465 230 S N -0.631 115.016 115.700 -0.089 0.000 2.586 230 S HA 0.477 4.948 4.470 0.001 0.000 0.274 230 S C -1.605 172.927 174.600 -0.113 0.000 1.281 230 S CA -0.999 57.141 58.200 -0.101 0.000 1.035 230 S CB 1.167 64.299 63.200 -0.113 0.000 0.962 230 S HN 0.079 nan 8.310 nan 0.000 0.512 231 P HA 0.052 nan 4.420 nan 0.000 0.206 231 P C -0.023 177.167 177.300 -0.183 0.000 1.209 231 P CA 1.150 64.181 63.100 -0.116 0.000 0.923 231 P CB -0.083 31.564 31.700 -0.088 0.000 0.761 232 D N -2.245 117.993 120.400 -0.271 0.000 2.570 232 D HA 0.185 4.825 4.640 0.001 0.000 0.266 232 D C 0.957 176.918 176.300 -0.566 0.000 1.182 232 D CA -0.594 53.111 54.000 -0.492 0.000 1.088 232 D CB 0.076 40.414 40.800 -0.769 0.000 1.186 232 D HN -0.087 nan 8.370 nan 0.000 0.618 233 R N -1.041 118.895 120.500 -0.941 0.000 2.404 233 R HA 0.160 4.500 4.340 0.001 0.000 0.237 233 R C -0.068 175.770 176.300 -0.770 0.000 0.907 233 R CA -0.111 55.581 56.100 -0.681 0.000 1.063 233 R CB 0.017 30.008 30.300 -0.515 0.000 1.134 233 R HN 0.439 nan 8.270 nan 0.000 0.529 234 F N -1.042 118.503 119.950 -0.676 0.000 2.805 234 F HA 0.550 5.077 4.527 0.001 0.000 0.317 234 F C -0.383 175.000 175.800 -0.695 0.000 1.146 234 F CA -1.102 56.272 58.000 -1.043 0.000 1.265 234 F CB 0.461 38.519 39.000 -1.569 0.000 0.992 234 F HN -0.208 nan 8.300 nan 0.000 0.511 235 S N 2.364 117.778 115.700 -0.478 0.000 2.497 235 S HA 0.386 4.857 4.470 0.001 0.000 0.193 235 S C -0.647 173.303 174.600 -1.083 0.000 1.360 235 S CA -0.502 57.210 58.200 -0.814 0.000 1.204 235 S CB -0.693 62.347 63.200 -0.267 0.000 1.171 235 S HN 0.669 nan 8.310 nan 0.000 0.502 236 N N -2.225 115.757 118.700 -1.196 0.000 2.636 236 N HA 0.234 4.974 4.740 0.001 0.000 0.261 236 N C 0.404 175.726 175.510 -0.313 0.000 1.195 236 N CA -0.790 51.902 53.050 -0.597 0.000 0.902 236 N CB 0.090 38.412 38.487 -0.274 0.000 1.627 236 N HN -0.173 nan 8.380 nan 0.000 0.491 237 T N -0.317 114.209 114.554 -0.047 0.000 2.592 237 T HA -0.297 4.054 4.350 0.001 0.000 0.267 237 T C 1.037 175.686 174.700 -0.086 0.000 1.060 237 T CA 2.292 64.400 62.100 0.014 0.000 1.167 237 T CB -0.694 68.096 68.868 -0.130 0.000 0.863 237 T HN 0.824 nan 8.240 nan 0.000 0.431 238 D N -0.260 119.936 120.400 -0.340 0.000 2.133 238 D HA -0.190 4.451 4.640 0.001 0.000 0.192 238 D C 1.855 178.198 176.300 0.071 0.000 1.001 238 D CA 1.458 55.316 54.000 -0.237 0.000 0.844 238 D CB -0.402 40.211 40.800 -0.312 0.000 0.944 238 D HN 0.527 nan 8.370 nan 0.000 0.447 239 Y N 0.753 121.040 120.300 -0.022 0.000 2.089 239 Y HA -0.147 4.403 4.550 0.001 0.000 0.282 239 Y C 2.357 178.322 175.900 0.108 0.000 1.139 239 Y CA 2.285 60.414 58.100 0.048 0.000 1.123 239 Y CB -0.968 37.493 38.460 0.000 0.000 0.980 239 Y HN 0.050 nan 8.280 nan 0.000 0.493 240 A N -0.379 122.670 122.820 0.380 0.000 1.915 240 A HA -0.266 4.054 4.320 0.001 0.000 0.220 240 A C 2.348 180.075 177.584 0.239 0.000 1.198 240 A CA 2.681 54.932 52.037 0.357 0.000 0.647 240 A CB -1.513 17.717 19.000 0.383 0.000 0.825 240 A HN 0.390 nan 8.150 nan 0.000 0.456 241 V N -0.374 119.652 119.914 0.188 0.000 2.244 241 V HA -0.149 3.971 4.120 0.001 0.000 0.244 241 V C 2.885 179.047 176.094 0.114 0.000 1.042 241 V CA 2.054 64.453 62.300 0.164 0.000 1.006 241 V CB -1.625 30.338 31.823 0.232 0.000 0.641 241 V HN 0.622 nan 8.190 nan 0.000 0.446 242 G N -1.702 107.155 108.800 0.095 0.000 2.475 242 G HA2 -0.348 3.612 3.960 0.001 0.000 0.220 242 G HA3 -0.348 3.612 3.960 0.001 0.000 0.220 242 G C 1.553 176.453 174.900 -0.000 0.000 1.125 242 G CA 1.295 46.414 45.100 0.032 0.000 0.755 242 G HN 0.535 nan 8.290 nan 0.000 0.565 243 Y N 0.370 120.556 120.300 -0.189 0.000 2.163 243 Y HA 0.072 4.622 4.550 0.001 0.000 0.288 243 Y C 2.845 178.715 175.900 -0.049 0.000 1.136 243 Y CA 1.745 59.739 58.100 -0.177 0.000 1.147 243 Y CB -0.272 38.088 38.460 -0.167 0.000 0.987 243 Y HN 0.186 nan 8.280 nan 0.000 0.509 244 M N -0.876 118.742 119.600 0.029 0.000 2.117 244 M HA -0.215 4.265 4.480 0.001 0.000 0.262 244 M C 2.091 178.346 176.300 -0.077 0.000 1.065 244 M CA 1.638 56.909 55.300 -0.049 0.000 1.114 244 M CB -0.302 32.322 32.600 0.040 0.000 1.361 244 M HN 0.339 nan 8.290 nan 0.000 0.408 245 L N -0.819 120.385 121.223 -0.031 0.000 2.012 245 L HA -0.276 4.064 4.340 0.001 0.000 0.210 245 L C 2.645 179.473 176.870 -0.069 0.000 1.073 245 L CA 1.509 56.329 54.840 -0.033 0.000 0.748 245 L CB -0.692 41.363 42.059 -0.008 0.000 0.891 245 L HN 0.323 nan 8.230 nan 0.000 0.431 246 R N 0.368 120.812 120.500 -0.093 0.000 2.083 246 R HA -0.177 4.164 4.340 0.001 0.000 0.237 246 R C 2.256 178.455 176.300 -0.169 0.000 1.137 246 R CA 1.440 57.472 56.100 -0.115 0.000 0.951 246 R CB -0.283 29.949 30.300 -0.113 0.000 0.851 246 R HN 0.325 nan 8.270 nan 0.000 0.434 247 L N -0.907 120.151 121.223 -0.276 0.000 2.549 247 L HA -0.072 4.269 4.340 0.001 0.000 0.230 247 L C 1.450 178.234 176.870 -0.143 0.000 1.162 247 L CA 1.204 55.885 54.840 -0.265 0.000 0.834 247 L CB 0.016 41.853 42.059 -0.369 0.000 0.947 247 L HN 0.754 nan 8.230 nan 0.000 0.452 248 G N -1.347 107.389 108.800 -0.107 0.000 2.480 248 G HA2 -0.177 3.784 3.960 0.001 0.000 0.193 248 G HA3 -0.177 3.784 3.960 0.001 0.000 0.193 248 G C 0.434 175.300 174.900 -0.057 0.000 1.004 248 G CA -0.205 44.851 45.100 -0.073 0.000 0.696 248 G HN 0.389 nan 8.290 nan 0.000 0.478 249 A N 1.960 124.746 122.820 -0.055 0.000 2.545 249 A HA 0.553 4.874 4.320 0.001 0.000 0.253 249 A C -1.734 175.839 177.584 -0.019 0.000 1.074 249 A CA -0.032 51.985 52.037 -0.034 0.000 0.760 249 A CB -0.250 18.735 19.000 -0.024 0.000 1.005 249 A HN 0.194 nan 8.150 nan 0.000 0.506 250 P HA 0.210 nan 4.420 nan 0.000 0.271 250 P C 0.934 178.243 177.300 0.015 0.000 1.216 250 P CA 0.499 63.597 63.100 -0.002 0.000 0.771 250 P CB 1.079 32.778 31.700 -0.002 0.000 0.864 251 A N 3.384 126.213 122.820 0.015 0.000 1.917 251 A HA -0.231 4.089 4.320 0.001 0.000 0.219 251 A C 2.151 179.761 177.584 0.043 0.000 1.182 251 A CA 2.494 54.547 52.037 0.026 0.000 0.633 251 A CB -1.752 17.259 19.000 0.019 0.000 0.819 251 A HN 0.609 nan 8.150 nan 0.000 0.448 252 S N -0.661 115.062 115.700 0.039 0.000 2.442 252 S HA -0.107 4.364 4.470 0.001 0.000 0.236 252 S C 1.463 176.102 174.600 0.066 0.000 1.007 252 S CA 1.553 59.782 58.200 0.049 0.000 0.965 252 S CB -0.238 62.982 63.200 0.033 0.000 0.773 252 S HN 0.620 nan 8.310 nan 0.000 0.504 253 K N -0.093 120.348 120.400 0.068 0.000 2.372 253 K HA 0.358 4.678 4.320 0.001 0.000 0.200 253 K C -0.674 176.000 176.600 0.123 0.000 1.022 253 K CA -0.255 56.094 56.287 0.104 0.000 1.125 253 K CB 0.267 32.812 32.500 0.077 0.000 0.855 253 K HN 0.257 nan 8.250 nan 0.000 0.524 254 L N 1.676 122.953 121.223 0.090 0.000 2.257 254 L HA 0.227 4.568 4.340 0.001 0.000 0.290 254 L C -0.872 176.048 176.870 0.084 0.000 1.044 254 L CA -0.500 54.395 54.840 0.091 0.000 0.810 254 L CB 1.437 43.536 42.059 0.067 0.000 1.193 254 L HN -0.250 nan 8.230 nan 0.000 0.425 255 V N 6.181 126.158 119.914 0.104 0.000 2.370 255 V HA 0.354 4.474 4.120 0.001 0.000 0.283 255 V C 0.325 176.479 176.094 0.099 0.000 1.023 255 V CA -0.512 61.825 62.300 0.062 0.000 0.857 255 V CB 1.423 33.251 31.823 0.008 0.000 0.985 255 V HN 0.787 nan 8.190 nan 0.000 0.443 256 M N 4.527 124.178 119.600 0.085 0.000 2.108 256 M HA 0.447 4.928 4.480 0.001 0.000 0.347 256 M C 0.791 177.177 176.300 0.143 0.000 1.326 256 M CA -0.161 55.207 55.300 0.113 0.000 1.126 256 M CB 0.285 32.952 32.600 0.112 0.000 1.606 256 M HN 0.825 nan 8.290 nan 0.000 0.462 257 G N 6.457 115.360 108.800 0.172 0.000 2.340 257 G HA2 0.389 4.349 3.960 0.001 0.000 0.245 257 G HA3 0.389 4.349 3.960 0.001 0.000 0.245 257 G C -0.622 174.460 174.900 0.303 0.000 1.294 257 G CA -0.367 44.898 45.100 0.274 0.000 0.896 257 G HN 0.814 nan 8.290 nan 0.000 0.522 258 I N 4.852 125.630 120.570 0.348 0.000 2.478 258 I HA 0.279 4.449 4.170 0.001 0.000 0.287 258 I C -2.193 174.074 176.117 0.251 0.000 1.042 258 I CA -2.243 59.207 61.300 0.251 0.000 1.067 258 I CB 3.314 41.396 38.000 0.136 0.000 1.233 258 I HN 0.360 nan 8.210 nan 0.000 0.431 259 P HA 0.168 nan 4.420 nan 0.000 0.279 259 P C 0.124 177.385 177.300 -0.066 0.000 1.239 259 P CA -0.143 62.899 63.100 -0.096 0.000 0.789 259 P CB 1.366 32.798 31.700 -0.448 0.000 0.933 260 T N -0.659 113.933 114.554 0.063 0.000 3.182 260 T HA 0.369 4.720 4.350 0.001 0.000 0.277 260 T C 0.278 175.082 174.700 0.173 0.000 1.013 260 T CA -0.373 61.771 62.100 0.073 0.000 0.900 260 T CB -0.895 68.039 68.868 0.110 0.000 1.098 260 T HN 0.383 nan 8.240 nan 0.000 0.543 261 F N -0.422 119.574 119.950 0.077 0.000 2.611 261 F HA 0.941 5.469 4.527 0.001 0.000 0.324 261 F C -0.006 175.824 175.800 0.050 0.000 1.061 261 F CA -1.796 56.219 58.000 0.025 0.000 0.954 261 F CB 0.958 39.938 39.000 -0.033 0.000 1.301 261 F HN 0.072 nan 8.300 nan 0.000 0.482 262 G N 0.655 109.463 108.800 0.014 0.000 2.498 262 G HA2 0.601 4.562 3.960 0.001 0.000 0.312 262 G HA3 0.601 4.562 3.960 0.001 0.000 0.312 262 G C -1.793 172.998 174.900 -0.182 0.000 1.230 262 G CA -1.193 43.855 45.100 -0.087 0.000 0.968 262 G HN 0.610 nan 8.290 nan 0.000 0.481 263 R N 0.381 120.694 120.500 -0.312 0.000 2.265 263 R HA 0.527 4.867 4.340 0.001 0.000 0.328 263 R C 0.360 176.391 176.300 -0.449 0.000 0.969 263 R CA -0.593 55.284 56.100 -0.373 0.000 0.832 263 R CB 0.869 30.939 30.300 -0.383 0.000 1.139 263 R HN 0.694 nan 8.270 nan 0.000 0.457 264 S N 2.499 117.903 115.700 -0.493 0.000 2.608 264 S HA 0.763 5.234 4.470 0.001 0.000 0.291 264 S C -0.579 173.634 174.600 -0.646 0.000 1.146 264 S CA -0.570 57.361 58.200 -0.448 0.000 1.043 264 S CB 1.183 64.213 63.200 -0.282 0.000 1.037 264 S HN 0.287 nan 8.310 nan 0.000 0.520 265 F N -0.555 119.494 119.950 0.166 0.000 2.599 265 F HA 0.490 5.017 4.527 0.001 0.000 0.311 265 F C 0.217 176.089 175.800 0.119 0.000 1.076 265 F CA -0.806 57.263 58.000 0.115 0.000 0.937 265 F CB 2.159 41.204 39.000 0.074 0.000 1.282 265 F HN 0.495 nan 8.300 nan 0.000 0.460 266 T N 3.860 118.578 114.554 0.274 0.000 2.753 266 T HA 0.532 4.883 4.350 0.001 0.000 0.297 266 T C 0.166 174.957 174.700 0.152 0.000 0.981 266 T CA -0.486 61.724 62.100 0.184 0.000 0.956 266 T CB 0.129 69.071 68.868 0.124 0.000 0.936 266 T HN 0.296 nan 8.240 nan 0.000 0.463 267 L N 1.952 123.270 121.223 0.158 0.000 2.479 267 L HA 0.329 4.669 4.340 0.001 0.000 0.270 267 L C 1.369 178.273 176.870 0.057 0.000 1.236 267 L CA -0.183 54.712 54.840 0.093 0.000 0.823 267 L CB 0.220 42.356 42.059 0.129 0.000 1.098 267 L HN 0.733 nan 8.230 nan 0.000 0.500 268 A N 0.066 122.898 122.820 0.020 0.000 2.508 268 A HA 0.381 4.702 4.320 0.001 0.000 0.250 268 A C 0.504 178.096 177.584 0.012 0.000 1.208 268 A CA 0.554 52.599 52.037 0.013 0.000 0.960 268 A CB 0.205 19.200 19.000 -0.009 0.000 1.099 268 A HN 0.754 nan 8.150 nan 0.000 0.542 269 S N -1.615 114.095 115.700 0.017 0.000 3.003 269 S HA 0.361 4.831 4.470 0.001 0.000 0.313 269 S C 0.786 175.408 174.600 0.036 0.000 1.230 269 S CA 0.630 58.842 58.200 0.018 0.000 0.977 269 S CB 0.220 63.419 63.200 -0.001 0.000 1.340 269 S HN 0.735 nan 8.310 nan 0.000 0.608 270 S N -0.512 115.208 115.700 0.032 0.000 2.524 270 S HA 0.269 4.739 4.470 0.001 0.000 0.216 270 S C 0.172 174.803 174.600 0.052 0.000 0.987 270 S CA -0.163 58.066 58.200 0.049 0.000 0.909 270 S CB -0.665 62.559 63.200 0.040 0.000 0.781 270 S HN 0.684 nan 8.310 nan 0.000 0.521 271 E N 2.158 122.373 120.200 0.025 0.000 2.344 271 E HA 0.229 4.579 4.350 0.001 0.000 0.270 271 E C 0.498 177.119 176.600 0.035 0.000 1.021 271 E CA 0.426 56.834 56.400 0.013 0.000 0.887 271 E CB 0.801 30.483 29.700 -0.031 0.000 0.997 271 E HN 0.538 nan 8.360 nan 0.000 0.429 272 T N -0.668 113.936 114.554 0.083 0.000 3.091 272 T HA 0.266 4.617 4.350 0.001 0.000 0.277 272 T C 0.774 175.596 174.700 0.204 0.000 0.996 272 T CA -0.343 61.878 62.100 0.202 0.000 0.897 272 T CB 0.550 69.623 68.868 0.341 0.000 1.109 272 T HN 0.378 nan 8.240 nan 0.000 0.534 273 G N 1.163 109.984 108.800 0.036 0.000 2.588 273 G HA2 0.504 4.465 3.960 0.001 0.000 0.281 273 G HA3 0.504 4.465 3.960 0.001 0.000 0.281 273 G C -0.371 174.397 174.900 -0.221 0.000 1.236 273 G CA -0.629 44.470 45.100 -0.002 0.000 0.969 273 G HN 0.297 nan 8.290 nan 0.000 0.504 274 V N 0.796 120.609 119.914 -0.168 0.000 2.485 274 V HA 0.417 4.538 4.120 0.001 0.000 0.287 274 V C 1.511 177.419 176.094 -0.310 0.000 1.022 274 V CA 1.851 63.980 62.300 -0.285 0.000 1.067 274 V CB 0.225 31.988 31.823 -0.098 0.000 0.967 274 V HN 1.744 nan 8.190 nan 0.000 0.479 275 G N 3.809 112.336 108.800 -0.455 0.000 2.195 275 G HA2 -0.082 3.879 3.960 0.001 0.000 0.224 275 G HA3 -0.082 3.879 3.960 0.001 0.000 0.224 275 G C 0.483 175.182 174.900 -0.336 0.000 0.990 275 G CA 0.104 44.997 45.100 -0.345 0.000 0.639 275 G HN 1.453 nan 8.290 nan 0.000 0.514 276 A N 1.520 124.105 122.820 -0.393 0.000 2.536 276 A HA 0.538 4.859 4.320 0.001 0.000 0.234 276 A C -1.267 176.129 177.584 -0.314 0.000 1.076 276 A CA 0.284 52.137 52.037 -0.307 0.000 0.769 276 A CB 0.036 18.854 19.000 -0.303 0.000 1.020 276 A HN 0.363 nan 8.150 nan 0.000 0.508 277 P HA 0.408 nan 4.420 nan 0.000 0.286 277 P C -0.597 176.606 177.300 -0.163 0.000 1.269 277 P CA 0.079 63.072 63.100 -0.177 0.000 0.787 277 P CB 0.791 32.425 31.700 -0.109 0.000 0.920 278 I N 0.078 120.545 120.570 -0.173 0.000 2.910 278 I HA 0.561 4.732 4.170 0.001 0.000 0.310 278 I C 0.577 176.671 176.117 -0.038 0.000 1.043 278 I CA -0.941 60.299 61.300 -0.099 0.000 1.053 278 I CB 2.384 40.307 38.000 -0.129 0.000 1.242 278 I HN 0.238 nan 8.210 nan 0.000 0.452 279 S N 1.180 116.891 115.700 0.017 0.000 2.650 279 S HA 0.712 5.183 4.470 0.001 0.000 0.240 279 S C 0.363 174.997 174.600 0.057 0.000 1.007 279 S CA 0.057 58.275 58.200 0.030 0.000 0.984 279 S CB -0.311 62.910 63.200 0.035 0.000 0.910 279 S HN 1.676 nan 8.310 nan 0.000 0.509 280 G N 1.601 110.453 108.800 0.087 0.000 2.369 280 G HA2 0.273 4.234 3.960 0.001 0.000 0.307 280 G HA3 0.273 4.234 3.960 0.001 0.000 0.307 280 G C -3.544 171.462 174.900 0.177 0.000 1.327 280 G CA -0.665 44.506 45.100 0.117 0.000 0.963 280 G HN 0.116 nan 8.290 nan 0.000 0.590 281 P HA 0.382 nan 4.420 nan 0.000 0.270 281 P C 1.028 178.369 177.300 0.069 0.000 1.223 281 P CA 0.742 63.911 63.100 0.115 0.000 0.785 281 P CB 0.464 32.197 31.700 0.055 0.000 0.923 282 G N 1.072 109.870 108.800 -0.003 0.000 2.712 282 G HA2 0.212 4.172 3.960 0.001 0.000 0.258 282 G HA3 0.212 4.172 3.960 0.001 0.000 0.258 282 G C 0.113 175.001 174.900 -0.019 0.000 1.241 282 G CA -0.727 44.366 45.100 -0.012 0.000 0.923 282 G HN 0.457 nan 8.290 nan 0.000 0.548 283 I N 1.504 122.062 120.570 -0.020 0.000 2.529 283 I HA 0.125 4.295 4.170 0.001 0.000 0.284 283 I C -1.680 174.411 176.117 -0.043 0.000 1.082 283 I CA -1.433 59.859 61.300 -0.013 0.000 1.406 283 I CB 1.396 39.401 38.000 0.009 0.000 1.405 283 I HN 0.233 nan 8.210 nan 0.000 0.548 284 P HA 0.026 nan 4.420 nan 0.000 0.267 284 P C 0.074 177.346 177.300 -0.046 0.000 1.200 284 P CA -0.138 62.941 63.100 -0.034 0.000 0.772 284 P CB 0.405 32.098 31.700 -0.012 0.000 0.855 285 G N 1.460 110.229 108.800 -0.051 0.000 2.634 285 G HA2 0.021 3.981 3.960 0.001 0.000 0.255 285 G HA3 0.021 3.981 3.960 0.001 0.000 0.255 285 G C 0.917 175.773 174.900 -0.073 0.000 1.205 285 G CA -0.442 44.623 45.100 -0.057 0.000 0.884 285 G HN 0.543 nan 8.290 nan 0.000 0.549 286 R N -0.186 120.210 120.500 -0.173 0.000 2.092 286 R HA 0.009 4.349 4.340 0.001 0.000 0.231 286 R C 1.546 177.619 176.300 -0.377 0.000 1.119 286 R CA 1.529 57.400 56.100 -0.381 0.000 0.970 286 R CB -0.174 29.690 30.300 -0.727 0.000 0.864 286 R HN 0.577 nan 8.270 nan 0.000 0.440 287 F N -0.742 119.302 119.950 0.158 0.000 2.500 287 F HA 0.115 4.642 4.527 0.001 0.000 0.285 287 F C 2.405 178.302 175.800 0.161 0.000 1.088 287 F CA 0.686 58.805 58.000 0.198 0.000 1.432 287 F CB -0.056 39.145 39.000 0.335 0.000 1.131 287 F HN 0.047 nan 8.300 nan 0.000 0.582 288 T N -2.238 112.479 114.554 0.271 0.000 3.043 288 T HA -0.017 4.334 4.350 0.001 0.000 0.263 288 T C 0.848 175.619 174.700 0.119 0.000 1.094 288 T CA 0.063 62.267 62.100 0.173 0.000 1.127 288 T CB -0.519 68.393 68.868 0.072 0.000 0.905 288 T HN 0.132 nan 8.240 nan 0.000 0.490 289 K N 1.710 122.159 120.400 0.081 0.000 3.356 289 K HA -0.203 4.117 4.320 0.001 0.000 0.270 289 K C -0.220 176.403 176.600 0.037 0.000 0.901 289 K CA 0.708 57.026 56.287 0.050 0.000 0.688 289 K CB -1.350 31.192 32.500 0.070 0.000 1.460 289 K HN 0.751 nan 8.250 nan 0.000 0.458 290 E N 0.224 120.433 120.200 0.015 0.000 2.302 290 E HA 0.433 4.784 4.350 0.001 0.000 0.263 290 E C -0.662 175.925 176.600 -0.022 0.000 0.897 290 E CA -0.404 55.996 56.400 0.000 0.000 0.809 290 E CB 1.268 30.966 29.700 -0.003 0.000 1.270 290 E HN 0.330 nan 8.360 nan 0.000 0.410 291 A N 2.537 125.348 122.820 -0.015 0.000 2.561 291 A HA 0.419 4.739 4.320 0.001 0.000 0.234 291 A C 1.342 178.898 177.584 -0.046 0.000 1.055 291 A CA 1.119 53.142 52.037 -0.024 0.000 0.756 291 A CB -0.229 18.771 19.000 0.000 0.000 0.986 291 A HN 1.280 nan 8.150 nan 0.000 0.505 292 G N 1.191 109.942 108.800 -0.080 0.000 2.225 292 G HA2 -0.192 3.769 3.960 0.001 0.000 0.254 292 G HA3 -0.192 3.769 3.960 0.001 0.000 0.254 292 G C 0.436 175.239 174.900 -0.161 0.000 0.988 292 G CA 0.755 45.773 45.100 -0.137 0.000 0.625 292 G HN 1.354 nan 8.290 nan 0.000 0.527 293 T N 0.677 115.161 114.554 -0.116 0.000 2.912 293 T HA 0.753 5.104 4.350 0.001 0.000 0.288 293 T C -0.461 174.180 174.700 -0.099 0.000 1.030 293 T CA -0.378 61.669 62.100 -0.088 0.000 1.020 293 T CB 2.107 70.925 68.868 -0.083 0.000 1.056 293 T HN 0.426 nan 8.240 nan 0.000 0.480 294 L N 1.660 122.839 121.223 -0.073 0.000 2.543 294 L HA 0.625 4.965 4.340 0.001 0.000 0.265 294 L C -0.096 176.711 176.870 -0.105 0.000 0.945 294 L CA -1.164 53.592 54.840 -0.139 0.000 0.869 294 L CB 1.785 43.705 42.059 -0.232 0.000 1.294 294 L HN 0.780 nan 8.230 nan 0.000 0.405 295 A N 1.446 124.110 122.820 -0.260 0.000 2.332 295 A HA 0.169 4.489 4.320 0.001 0.000 0.258 295 A C 0.413 177.807 177.584 -0.318 0.000 1.087 295 A CA 0.090 51.918 52.037 -0.348 0.000 0.802 295 A CB 0.195 18.626 19.000 -0.948 0.000 1.042 295 A HN 0.761 nan 8.150 nan 0.000 0.489 296 Y N 1.510 121.680 120.300 -0.217 0.000 2.207 296 Y HA -0.322 4.228 4.550 0.001 0.000 0.287 296 Y C 1.969 177.793 175.900 -0.127 0.000 1.156 296 Y CA 2.783 60.818 58.100 -0.109 0.000 1.182 296 Y CB -0.647 37.832 38.460 0.031 0.000 0.979 296 Y HN 0.830 nan 8.280 nan 0.000 0.521 297 Y N -1.251 118.916 120.300 -0.221 0.000 2.352 297 Y HA 0.003 4.553 4.550 0.001 0.000 0.292 297 Y C 1.793 177.545 175.900 -0.245 0.000 1.136 297 Y CA 1.155 58.989 58.100 -0.445 0.000 1.227 297 Y CB -1.077 36.792 38.460 -0.985 0.000 0.991 297 Y HN 0.152 nan 8.280 nan 0.000 0.545 298 E N 0.802 120.776 120.200 -0.377 0.000 2.122 298 E HA -0.006 4.344 4.350 0.001 0.000 0.190 298 E C 2.063 178.612 176.600 -0.085 0.000 0.977 298 E CA 0.865 57.228 56.400 -0.061 0.000 0.820 298 E CB -0.120 29.489 29.700 -0.151 0.000 0.770 298 E HN 0.509 nan 8.360 nan 0.000 0.462 299 I N 0.888 121.311 120.570 -0.245 0.000 2.335 299 I HA -0.337 3.833 4.170 0.001 0.000 0.251 299 I C 2.181 178.185 176.117 -0.187 0.000 1.129 299 I CA 0.657 61.789 61.300 -0.280 0.000 1.402 299 I CB -0.236 37.471 38.000 -0.488 0.000 1.069 299 I HN 0.270 nan 8.210 nan 0.000 0.424 300 c N 0.612 119.065 118.600 -0.244 0.000 2.425 300 c HA -0.152 4.419 4.570 0.001 0.000 0.277 300 c C 2.379 176.476 174.090 0.013 0.000 1.280 300 c CA 0.768 57.010 56.329 -0.145 0.000 1.744 300 c CB -0.970 41.450 42.510 -0.151 0.000 1.989 300 c HN 0.533 nan 8.230 nan 0.000 0.491 301 D N -0.149 120.318 120.400 0.112 0.000 2.183 301 D HA -0.092 4.549 4.640 0.001 0.000 0.203 301 D C 1.757 178.121 176.300 0.106 0.000 0.969 301 D CA 0.905 54.980 54.000 0.126 0.000 0.842 301 D CB -0.468 40.451 40.800 0.198 0.000 0.957 301 D HN 0.500 nan 8.370 nan 0.000 0.484 302 F N 1.732 121.648 119.950 -0.056 0.000 2.171 302 F HA -0.070 4.457 4.527 0.001 0.000 0.300 302 F C 2.072 177.826 175.800 -0.076 0.000 1.090 302 F CA 0.812 58.768 58.000 -0.072 0.000 1.293 302 F CB -0.264 38.666 39.000 -0.116 0.000 1.013 302 F HN -0.150 nan 8.300 nan 0.000 0.486 303 L N 0.357 121.548 121.223 -0.054 0.000 2.353 303 L HA -0.120 4.221 4.340 0.001 0.000 0.220 303 L C 0.852 177.625 176.870 -0.161 0.000 1.133 303 L CA 0.563 55.318 54.840 -0.142 0.000 0.798 303 L CB -0.529 41.491 42.059 -0.065 0.000 0.922 303 L HN -0.073 nan 8.230 nan 0.000 0.445 304 R N 0.618 121.043 120.500 -0.126 0.000 2.343 304 R HA 0.174 4.515 4.340 0.001 0.000 0.326 304 R C 1.007 177.219 176.300 -0.146 0.000 1.055 304 R CA 0.684 56.722 56.100 -0.103 0.000 0.961 304 R CB 0.044 30.308 30.300 -0.061 0.000 0.978 304 R HN 0.301 nan 8.270 nan 0.000 0.443 305 G N 1.410 110.132 108.800 -0.130 0.000 2.143 305 G HA2 -0.289 3.671 3.960 0.001 0.000 0.249 305 G HA3 -0.289 3.671 3.960 0.001 0.000 0.249 305 G C 0.102 174.893 174.900 -0.182 0.000 0.981 305 G CA 0.100 45.122 45.100 -0.129 0.000 0.665 305 G HN 0.814 nan 8.290 nan 0.000 0.528 306 A N -0.788 121.892 122.820 -0.234 0.000 2.269 306 A HA 0.917 5.237 4.320 0.001 0.000 0.327 306 A C 0.252 177.732 177.584 -0.175 0.000 1.112 306 A CA 0.357 52.222 52.037 -0.288 0.000 0.865 306 A CB 1.229 19.934 19.000 -0.492 0.000 1.227 306 A HN 0.707 nan 8.150 nan 0.000 0.498 307 T N 0.879 115.350 114.554 -0.139 0.000 2.786 307 T HA 0.512 4.863 4.350 0.001 0.000 0.283 307 T C -0.645 173.910 174.700 -0.241 0.000 0.992 307 T CA -0.226 61.771 62.100 -0.172 0.000 0.954 307 T CB 1.035 69.839 68.868 -0.108 0.000 0.934 307 T HN 0.424 nan 8.240 nan 0.000 0.440 308 V N 5.089 124.804 119.914 -0.331 0.000 2.472 308 V HA 0.447 4.568 4.120 0.001 0.000 0.290 308 V C -0.303 175.433 176.094 -0.597 0.000 1.037 308 V CA -0.765 61.341 62.300 -0.324 0.000 0.908 308 V CB 1.207 32.958 31.823 -0.120 0.000 0.985 308 V HN 0.832 nan 8.190 nan 0.000 0.454 309 H N 4.195 122.965 119.070 -0.499 0.000 2.600 309 H HA 0.529 5.085 4.556 0.001 0.000 0.357 309 H C -0.707 174.382 175.328 -0.398 0.000 1.106 309 H CA -0.969 54.795 56.048 -0.472 0.000 1.193 309 H CB 2.177 31.535 29.762 -0.674 0.000 1.594 309 H HN 0.435 nan 8.280 nan 0.000 0.526 310 R N 2.577 123.033 120.500 -0.074 0.000 2.254 310 R HA 0.318 4.658 4.340 0.001 0.000 0.318 310 R C 0.261 176.577 176.300 0.027 0.000 1.031 310 R CA -0.640 55.429 56.100 -0.051 0.000 0.905 310 R CB 0.728 31.007 30.300 -0.035 0.000 1.050 310 R HN 0.534 nan 8.270 nan 0.000 0.456 311 I N 5.004 125.613 120.570 0.065 0.000 2.494 311 I HA -0.094 4.077 4.170 0.001 0.000 0.289 311 I C 2.000 178.149 176.117 0.053 0.000 1.106 311 I CA -0.023 61.352 61.300 0.125 0.000 1.369 311 I CB 0.461 38.553 38.000 0.152 0.000 1.410 311 I HN 0.470 nan 8.210 nan 0.000 0.523 312 L N 5.599 126.854 121.223 0.053 0.000 1.951 312 L HA -0.216 4.124 4.340 0.001 0.000 0.222 312 L C 2.464 179.346 176.870 0.020 0.000 1.078 312 L CA 2.189 57.046 54.840 0.028 0.000 0.778 312 L CB -0.699 41.373 42.059 0.023 0.000 0.893 312 L HN 0.855 nan 8.230 nan 0.000 0.436 313 G N -1.485 107.326 108.800 0.019 0.000 2.470 313 G HA2 -0.222 3.739 3.960 0.001 0.000 0.220 313 G HA3 -0.222 3.739 3.960 0.001 0.000 0.220 313 G C 1.365 176.303 174.900 0.063 0.000 1.121 313 G CA 0.394 45.502 45.100 0.014 0.000 0.766 313 G HN 0.513 nan 8.290 nan 0.000 0.553 314 Q N -1.246 118.585 119.800 0.051 0.000 2.319 314 Q HA 0.129 4.469 4.340 0.001 0.000 0.209 314 Q C 0.816 176.826 176.000 0.016 0.000 0.884 314 Q CA -0.114 55.716 55.803 0.045 0.000 0.938 314 Q CB 0.540 29.253 28.738 -0.042 0.000 1.098 314 Q HN 0.171 nan 8.270 nan 0.000 0.517 315 Q N -1.087 118.731 119.800 0.030 0.000 2.362 315 Q HA -0.151 4.189 4.340 0.001 0.000 0.220 315 Q C -0.228 175.714 176.000 -0.096 0.000 0.713 315 Q CA 1.285 57.093 55.803 0.008 0.000 1.345 315 Q CB -2.183 26.611 28.738 0.093 0.000 1.570 315 Q HN 0.404 nan 8.270 nan 0.000 0.701 316 V N -2.618 117.179 119.914 -0.195 0.000 2.919 316 V HA 0.978 5.099 4.120 0.001 0.000 0.316 316 V C -2.477 173.464 176.094 -0.254 0.000 1.077 316 V CA -2.004 60.093 62.300 -0.338 0.000 0.977 316 V CB 2.556 33.881 31.823 -0.831 0.000 1.039 316 V HN -0.068 nan 8.190 nan 0.000 0.441 317 P HA 0.582 nan 4.420 nan 0.000 0.294 317 P C -2.162 175.036 177.300 -0.169 0.000 1.325 317 P CA -0.514 62.460 63.100 -0.211 0.000 0.978 317 P CB 2.295 33.823 31.700 -0.287 0.000 1.288 318 Y N -0.934 119.292 120.300 -0.123 0.000 2.605 318 Y HA 0.886 5.436 4.550 0.001 0.000 0.343 318 Y C -1.711 174.170 175.900 -0.032 0.000 1.036 318 Y CA -1.639 56.342 58.100 -0.198 0.000 1.065 318 Y CB 1.132 39.240 38.460 -0.587 0.000 1.288 318 Y HN 0.615 nan 8.280 nan 0.000 0.481 319 A N 1.472 124.421 122.820 0.214 0.000 2.449 319 A HA 0.743 5.063 4.320 0.001 0.000 0.302 319 A C -0.950 176.795 177.584 0.268 0.000 1.048 319 A CA -0.360 51.803 52.037 0.209 0.000 0.708 319 A CB 1.694 20.895 19.000 0.335 0.000 1.274 319 A HN 1.079 nan 8.150 nan 0.000 0.410 320 T N 0.485 115.191 114.554 0.253 0.000 2.906 320 T HA 0.749 5.100 4.350 0.001 0.000 0.295 320 T C -1.218 173.555 174.700 0.121 0.000 1.075 320 T CA -0.539 61.758 62.100 0.330 0.000 1.005 320 T CB 1.293 70.423 68.868 0.436 0.000 1.136 320 T HN 0.891 nan 8.240 nan 0.000 0.498 321 K N 2.000 122.486 120.400 0.142 0.000 2.579 321 K HA 0.494 4.814 4.320 0.001 0.000 0.257 321 K C 0.414 177.073 176.600 0.099 0.000 0.950 321 K CA 0.179 56.434 56.287 -0.053 0.000 0.862 321 K CB 0.837 33.042 32.500 -0.492 0.000 1.317 321 K HN 1.188 nan 8.250 nan 0.000 0.436 322 G N 3.427 112.276 108.800 0.082 0.000 2.594 322 G HA2 -0.397 3.564 3.960 0.001 0.000 0.297 322 G HA3 -0.397 3.564 3.960 0.001 0.000 0.297 322 G C 0.075 175.072 174.900 0.161 0.000 1.273 322 G CA 0.628 45.792 45.100 0.106 0.000 0.974 322 G HN 0.930 nan 8.290 nan 0.000 0.552 323 N N 1.169 119.966 118.700 0.162 0.000 2.346 323 N HA 0.155 4.895 4.740 0.001 0.000 0.225 323 N C 0.093 175.742 175.510 0.233 0.000 1.144 323 N CA 0.524 53.679 53.050 0.175 0.000 0.837 323 N CB 0.434 38.996 38.487 0.126 0.000 1.069 323 N HN 0.554 nan 8.380 nan 0.000 0.487 324 Q N 0.087 120.078 119.800 0.319 0.000 2.342 324 Q HA 0.344 4.685 4.340 0.001 0.000 0.267 324 Q C -1.529 174.772 176.000 0.503 0.000 1.038 324 Q CA -0.349 55.667 55.803 0.354 0.000 0.832 324 Q CB 1.984 30.900 28.738 0.297 0.000 1.323 324 Q HN 0.434 nan 8.270 nan 0.000 0.448 325 W N 2.190 123.625 121.300 0.224 0.000 2.785 325 W HA 0.637 5.297 4.660 0.001 0.000 0.333 325 W C -1.451 175.170 176.519 0.169 0.000 1.062 325 W CA -0.759 56.755 57.345 0.281 0.000 1.233 325 W CB 1.346 30.965 29.460 0.265 0.000 1.413 325 W HN 0.346 nan 8.180 nan 0.000 0.489 326 V N 5.967 125.846 119.914 -0.058 0.000 2.668 326 V HA 0.807 4.927 4.120 0.001 0.000 0.304 326 V C -0.544 175.480 176.094 -0.115 0.000 1.071 326 V CA -0.464 61.788 62.300 -0.080 0.000 0.894 326 V CB 1.576 33.241 31.823 -0.263 0.000 1.008 326 V HN 0.724 nan 8.190 nan 0.000 0.425 327 G N 5.969 114.770 108.800 0.002 0.000 2.335 327 G HA2 0.664 4.624 3.960 0.001 0.000 0.314 327 G HA3 0.664 4.624 3.960 0.001 0.000 0.314 327 G C -1.176 173.714 174.900 -0.017 0.000 1.129 327 G CA -0.169 44.910 45.100 -0.035 0.000 0.912 327 G HN 1.159 nan 8.290 nan 0.000 0.443 328 Y N -0.524 119.755 120.300 -0.036 0.000 2.974 328 Y HA 0.723 5.273 4.550 0.001 0.000 0.310 328 Y C -0.943 175.106 175.900 0.248 0.000 1.551 328 Y CA -1.858 56.280 58.100 0.063 0.000 1.084 328 Y CB 0.872 39.380 38.460 0.080 0.000 1.446 328 Y HN 0.333 nan 8.280 nan 0.000 0.472 329 D N 0.363 120.843 120.400 0.133 0.000 2.457 329 D HA 0.369 5.009 4.640 0.001 0.000 0.240 329 D C -1.577 174.738 176.300 0.025 0.000 1.041 329 D CA -0.176 53.819 54.000 -0.008 0.000 0.861 329 D CB 2.566 43.357 40.800 -0.014 0.000 1.394 329 D HN 0.731 nan 8.370 nan 0.000 0.473 330 D N -0.240 120.137 120.400 -0.038 0.000 2.714 330 D HA 0.121 4.761 4.640 0.001 0.000 0.278 330 D C 0.762 177.040 176.300 -0.036 0.000 1.102 330 D CA -0.380 53.627 54.000 0.012 0.000 1.108 330 D CB 0.564 41.476 40.800 0.187 0.000 1.444 330 D HN 0.032 nan 8.370 nan 0.000 0.568 331 Q N -0.259 119.548 119.800 0.011 0.000 2.077 331 Q HA -0.196 4.144 4.340 0.001 0.000 0.206 331 Q C 1.755 177.759 176.000 0.008 0.000 0.989 331 Q CA 2.375 58.186 55.803 0.012 0.000 0.853 331 Q CB -0.159 28.610 28.738 0.051 0.000 0.907 331 Q HN 0.691 nan 8.270 nan 0.000 0.418 332 E N -0.395 119.813 120.200 0.013 0.000 2.038 332 E HA -0.219 4.131 4.350 0.001 0.000 0.195 332 E C 1.970 178.564 176.600 -0.010 0.000 1.000 332 E CA 1.623 58.025 56.400 0.004 0.000 0.803 332 E CB -0.041 29.660 29.700 0.002 0.000 0.750 332 E HN 0.450 nan 8.360 nan 0.000 0.448 333 S N 0.302 115.982 115.700 -0.033 0.000 2.382 333 S HA -0.164 4.307 4.470 0.001 0.000 0.228 333 S C 2.256 176.835 174.600 -0.035 0.000 1.027 333 S CA 1.437 59.607 58.200 -0.049 0.000 0.991 333 S CB -0.892 62.253 63.200 -0.092 0.000 0.823 333 S HN 0.319 nan 8.310 nan 0.000 0.469 334 V N 0.429 120.324 119.914 -0.031 0.000 2.515 334 V HA -0.026 4.094 4.120 0.001 0.000 0.250 334 V C 2.491 178.582 176.094 -0.005 0.000 1.058 334 V CA 1.902 64.191 62.300 -0.019 0.000 1.064 334 V CB -1.133 30.675 31.823 -0.025 0.000 0.675 334 V HN 0.461 nan 8.190 nan 0.000 0.461 335 K N 1.202 121.602 120.400 -0.000 0.000 2.026 335 K HA -0.152 4.168 4.320 0.001 0.000 0.208 335 K C 2.353 178.966 176.600 0.022 0.000 1.048 335 K CA 2.035 58.328 56.287 0.010 0.000 0.929 335 K CB -0.330 32.179 32.500 0.014 0.000 0.713 335 K HN 0.625 nan 8.250 nan 0.000 0.439 336 S N 1.122 116.839 115.700 0.028 0.000 2.356 336 S HA -0.128 4.342 4.470 0.001 0.000 0.223 336 S C 1.703 176.351 174.600 0.081 0.000 1.032 336 S CA 1.354 59.590 58.200 0.060 0.000 1.005 336 S CB -0.227 63.006 63.200 0.056 0.000 0.867 336 S HN 0.329 nan 8.310 nan 0.000 0.449 337 K N 0.786 121.207 120.400 0.035 0.000 2.147 337 K HA -0.032 4.288 4.320 0.001 0.000 0.205 337 K C 2.070 178.723 176.600 0.088 0.000 1.049 337 K CA 1.152 57.468 56.287 0.048 0.000 0.936 337 K CB -0.416 32.082 32.500 -0.005 0.000 0.722 337 K HN 0.208 nan 8.250 nan 0.000 0.446 338 V N 1.392 121.323 119.914 0.029 0.000 2.323 338 V HA -0.239 3.882 4.120 0.001 0.000 0.244 338 V C 2.295 178.369 176.094 -0.033 0.000 1.041 338 V CA 1.571 63.853 62.300 -0.029 0.000 1.025 338 V CB -0.469 31.324 31.823 -0.050 0.000 0.656 338 V HN 0.316 nan 8.190 nan 0.000 0.451 339 Q N -1.088 118.721 119.800 0.015 0.000 2.077 339 Q HA -0.288 4.052 4.340 0.001 0.000 0.206 339 Q C 2.186 178.207 176.000 0.035 0.000 0.989 339 Q CA 2.638 58.456 55.803 0.026 0.000 0.853 339 Q CB -0.393 28.383 28.738 0.063 0.000 0.907 339 Q HN 0.779 nan 8.270 nan 0.000 0.418 340 Y N 1.447 121.745 120.300 -0.003 0.000 2.097 340 Y HA -0.299 4.251 4.550 0.001 0.000 0.282 340 Y C 1.962 177.852 175.900 -0.016 0.000 1.152 340 Y CA 1.856 59.962 58.100 0.010 0.000 1.136 340 Y CB -0.421 38.019 38.460 -0.033 0.000 0.975 340 Y HN 0.226 nan 8.280 nan 0.000 0.498 341 L N 0.064 121.244 121.223 -0.073 0.000 2.083 341 L HA -0.078 4.262 4.340 0.001 0.000 0.209 341 L C 1.906 178.654 176.870 -0.203 0.000 1.083 341 L CA 1.872 56.620 54.840 -0.154 0.000 0.752 341 L CB -1.148 40.888 42.059 -0.039 0.000 0.899 341 L HN 0.014 nan 8.230 nan 0.000 0.433 342 K N 0.130 120.408 120.400 -0.203 0.000 2.057 342 K HA -0.135 4.186 4.320 0.001 0.000 0.206 342 K C 1.818 178.378 176.600 -0.068 0.000 1.050 342 K CA 1.502 57.699 56.287 -0.151 0.000 0.935 342 K CB -0.393 32.020 32.500 -0.145 0.000 0.715 342 K HN 0.356 nan 8.250 nan 0.000 0.439 343 D N 0.553 120.881 120.400 -0.120 0.000 2.104 343 D HA -0.135 4.505 4.640 0.001 0.000 0.194 343 D C 1.815 178.030 176.300 -0.142 0.000 0.994 343 D CA 1.035 54.969 54.000 -0.111 0.000 0.830 343 D CB -0.042 40.683 40.800 -0.125 0.000 0.959 343 D HN 0.017 nan 8.370 nan 0.000 0.452 344 R N 0.334 120.676 120.500 -0.263 0.000 2.328 344 R HA 0.016 4.356 4.340 0.001 0.000 0.207 344 R C 0.238 176.486 176.300 -0.087 0.000 1.056 344 R CA 0.183 56.154 56.100 -0.213 0.000 1.016 344 R CB -0.243 29.853 30.300 -0.340 0.000 0.872 344 R HN 0.409 nan 8.270 nan 0.000 0.471 345 Q N 0.290 120.065 119.800 -0.042 0.000 2.470 345 Q HA -0.154 4.186 4.340 0.001 0.000 0.294 345 Q C -0.734 175.308 176.000 0.071 0.000 1.356 345 Q CA 0.250 56.084 55.803 0.052 0.000 0.805 345 Q CB -1.711 27.049 28.738 0.036 0.000 1.157 345 Q HN 0.291 nan 8.270 nan 0.000 0.431 346 L N -1.083 120.171 121.223 0.051 0.000 2.468 346 L HA 0.412 4.753 4.340 0.001 0.000 0.254 346 L C 1.613 178.567 176.870 0.142 0.000 1.171 346 L CA 0.375 55.251 54.840 0.060 0.000 0.809 346 L CB 0.265 42.334 42.059 0.018 0.000 1.155 346 L HN 0.340 nan 8.230 nan 0.000 0.473 347 A N 0.602 123.488 122.820 0.110 0.000 2.121 347 A HA 0.356 4.676 4.320 0.001 0.000 0.218 347 A C 0.906 178.580 177.584 0.150 0.000 1.154 347 A CA 1.229 53.342 52.037 0.127 0.000 0.679 347 A CB -0.441 18.597 19.000 0.063 0.000 0.795 347 A HN 0.993 nan 8.150 nan 0.000 0.458 348 G N -2.970 105.873 108.800 0.071 0.000 2.352 348 G HA2 0.562 4.523 3.960 0.001 0.000 0.283 348 G HA3 0.562 4.523 3.960 0.001 0.000 0.283 348 G C -0.912 173.966 174.900 -0.037 0.000 1.308 348 G CA -0.185 44.917 45.100 0.002 0.000 0.892 348 G HN 1.263 nan 8.290 nan 0.000 0.504 349 A N -0.320 122.479 122.820 -0.035 0.000 2.355 349 A HA 0.853 5.174 4.320 0.001 0.000 0.324 349 A C -0.136 177.466 177.584 0.030 0.000 1.117 349 A CA -0.448 51.595 52.037 0.009 0.000 0.785 349 A CB 1.816 20.819 19.000 0.005 0.000 1.254 349 A HN 1.513 nan 8.150 nan 0.000 0.453 350 M N 2.731 122.394 119.600 0.105 0.000 2.436 350 M HA 0.636 5.116 4.480 0.001 0.000 0.331 350 M C -1.914 174.539 176.300 0.254 0.000 1.135 350 M CA -0.505 54.895 55.300 0.168 0.000 0.987 350 M CB 1.501 34.261 32.600 0.267 0.000 1.687 350 M HN 0.402 nan 8.290 nan 0.000 0.445 351 V N 4.927 124.998 119.914 0.261 0.000 2.555 351 V HA 0.533 4.654 4.120 0.001 0.000 0.302 351 V C -1.224 175.111 176.094 0.400 0.000 1.038 351 V CA -0.593 61.869 62.300 0.271 0.000 0.887 351 V CB 2.133 34.038 31.823 0.137 0.000 0.991 351 V HN 0.876 nan 8.190 nan 0.000 0.434 352 W N 5.474 126.907 121.300 0.221 0.000 2.543 352 W HA 0.786 5.447 4.660 0.001 0.000 0.318 352 W C -0.818 175.783 176.519 0.137 0.000 1.002 352 W CA -0.534 56.909 57.345 0.163 0.000 1.302 352 W CB 1.689 31.192 29.460 0.071 0.000 1.299 352 W HN 0.727 nan 8.180 nan 0.000 0.424 353 A N 4.750 127.385 122.820 -0.309 0.000 2.527 353 A HA 0.522 4.842 4.320 0.001 0.000 0.293 353 A C 0.187 177.629 177.584 -0.236 0.000 1.117 353 A CA -0.658 51.031 52.037 -0.582 0.000 0.723 353 A CB 1.534 19.715 19.000 -1.365 0.000 1.313 353 A HN 0.609 nan 8.150 nan 0.000 0.411 354 L N -0.160 120.962 121.223 -0.170 0.000 2.127 354 L HA -0.176 4.164 4.340 0.001 0.000 0.211 354 L C 1.689 178.594 176.870 0.059 0.000 1.089 354 L CA 2.186 57.052 54.840 0.044 0.000 0.757 354 L CB -0.399 41.676 42.059 0.028 0.000 0.899 354 L HN 0.980 nan 8.230 nan 0.000 0.434 355 D N -1.189 119.073 120.400 -0.230 0.000 2.336 355 D HA -0.075 4.566 4.640 0.001 0.000 0.229 355 D C 1.560 177.846 176.300 -0.024 0.000 1.061 355 D CA 0.500 54.294 54.000 -0.343 0.000 0.875 355 D CB -0.006 40.409 40.800 -0.641 0.000 0.904 355 D HN 0.309 nan 8.370 nan 0.000 0.525 356 L N -0.901 120.351 121.223 0.047 0.000 2.817 356 L HA 0.239 4.580 4.340 0.001 0.000 0.248 356 L C 0.724 177.751 176.870 0.260 0.000 1.133 356 L CA -0.331 54.594 54.840 0.142 0.000 0.935 356 L CB 0.308 42.402 42.059 0.057 0.000 1.266 356 L HN 0.038 nan 8.230 nan 0.000 0.535 357 D N 0.665 121.246 120.400 0.302 0.000 2.383 357 D HA -0.002 4.639 4.640 0.001 0.000 0.248 357 D C -0.488 176.036 176.300 0.373 0.000 1.170 357 D CA -0.206 53.999 54.000 0.341 0.000 0.977 357 D CB 1.280 42.297 40.800 0.362 0.000 1.120 357 D HN -0.111 nan 8.370 nan 0.000 0.481 358 D N 0.762 121.338 120.400 0.295 0.000 2.416 358 D HA 0.008 4.649 4.640 0.001 0.000 0.240 358 D C 0.697 176.850 176.300 -0.245 0.000 1.250 358 D CA -0.287 53.727 54.000 0.022 0.000 0.967 358 D CB -0.725 40.127 40.800 0.085 0.000 1.059 358 D HN 0.337 nan 8.370 nan 0.000 0.512 359 F N 1.456 121.095 119.950 -0.520 0.000 2.754 359 F HA 0.176 4.704 4.527 0.001 0.000 0.297 359 F C 1.589 177.055 175.800 -0.557 0.000 1.122 359 F CA -0.091 57.336 58.000 -0.955 0.000 1.400 359 F CB -0.176 38.305 39.000 -0.864 0.000 1.117 359 F HN 0.160 nan 8.300 nan 0.000 0.587 360 Q N 1.377 120.636 119.800 -0.902 0.000 2.137 360 Q HA 0.179 4.519 4.340 0.001 0.000 0.198 360 Q C 2.181 178.031 176.000 -0.250 0.000 0.960 360 Q CA 1.417 56.911 55.803 -0.515 0.000 0.847 360 Q CB -0.481 27.994 28.738 -0.439 0.000 0.915 360 Q HN 0.698 nan 8.270 nan 0.000 0.448 361 G N 0.076 108.749 108.800 -0.213 0.000 2.308 361 G HA2 -0.370 3.591 3.960 0.001 0.000 0.221 361 G HA3 -0.370 3.591 3.960 0.001 0.000 0.221 361 G C 1.213 176.108 174.900 -0.009 0.000 1.032 361 G CA 0.984 46.035 45.100 -0.082 0.000 0.623 361 G HN 0.467 nan 8.290 nan 0.000 0.506 362 S N 1.235 116.929 115.700 -0.011 0.000 2.523 362 S HA -0.103 4.367 4.470 0.001 0.000 0.226 362 S C 1.816 176.446 174.600 0.049 0.000 1.062 362 S CA 2.139 60.325 58.200 -0.023 0.000 1.207 362 S CB -1.134 61.968 63.200 -0.162 0.000 1.151 362 S HN 0.907 nan 8.310 nan 0.000 0.408 363 F N 1.711 121.588 119.950 -0.121 0.000 2.070 363 F HA -0.281 4.246 4.527 0.001 0.000 0.286 363 F C 2.239 178.006 175.800 -0.056 0.000 1.039 363 F CA 1.058 59.020 58.000 -0.063 0.000 1.312 363 F CB -1.578 37.407 39.000 -0.025 0.000 1.018 363 F HN 0.345 nan 8.300 nan 0.000 0.491 364 c N -0.112 118.567 118.600 0.133 0.000 2.760 364 c HA 0.683 5.254 4.570 0.001 0.000 0.293 364 c C 1.158 175.276 174.090 0.046 0.000 1.383 364 c CA -0.368 55.995 56.329 0.057 0.000 1.771 364 c CB -1.096 41.441 42.510 0.044 0.000 2.353 364 c HN 0.863 nan 8.230 nan 0.000 0.578 365 G N 1.113 109.931 108.800 0.029 0.000 2.829 365 G HA2 0.021 3.981 3.960 0.001 0.000 0.628 365 G HA3 0.021 3.981 3.960 0.001 0.000 0.628 365 G C 0.045 174.961 174.900 0.027 0.000 1.412 365 G CA 0.334 45.444 45.100 0.017 0.000 0.864 365 G HN 0.303 nan 8.290 nan 0.000 0.544 366 Q N -1.008 118.803 119.800 0.019 0.000 2.281 366 Q HA -0.217 4.123 4.340 0.001 0.000 0.148 366 Q C 1.238 177.249 176.000 0.020 0.000 1.069 366 Q CA 3.288 59.105 55.803 0.024 0.000 1.297 366 Q CB -1.570 27.192 28.738 0.039 0.000 1.268 366 Q HN 1.729 nan 8.270 nan 0.000 0.952 367 D N -1.467 118.943 120.400 0.016 0.000 3.012 367 D HA -0.217 4.423 4.640 0.001 0.000 0.222 367 D C -0.404 175.904 176.300 0.013 0.000 1.167 367 D CA 1.131 55.133 54.000 0.004 0.000 0.854 367 D CB -1.396 39.398 40.800 -0.010 0.000 1.107 367 D HN 0.388 nan 8.370 nan 0.000 0.421 368 L N 0.581 121.825 121.223 0.035 0.000 2.371 368 L HA 0.272 4.613 4.340 0.001 0.000 0.272 368 L C 1.388 178.289 176.870 0.051 0.000 1.124 368 L CA -0.334 54.539 54.840 0.054 0.000 0.816 368 L CB 0.842 42.945 42.059 0.073 0.000 1.129 368 L HN -0.215 nan 8.230 nan 0.000 0.448 369 R N 2.465 123.005 120.500 0.067 0.000 2.531 369 R HA 0.276 4.616 4.340 0.001 0.000 0.273 369 R C -0.582 175.817 176.300 0.165 0.000 1.070 369 R CA -0.715 55.389 56.100 0.007 0.000 1.112 369 R CB 0.285 30.617 30.300 0.054 0.000 1.049 369 R HN 0.394 nan 8.270 nan 0.000 0.508 370 F N 0.455 120.489 119.950 0.140 0.000 2.635 370 F HA -0.175 4.352 4.527 0.001 0.000 0.228 370 F C -1.255 174.612 175.800 0.112 0.000 1.029 370 F CA -0.168 57.914 58.000 0.136 0.000 0.907 370 F CB -1.106 37.961 39.000 0.112 0.000 0.893 370 F HN 0.560 nan 8.300 nan 0.000 0.845 371 P HA -0.206 nan 4.420 nan 0.000 0.215 371 P C 1.809 179.177 177.300 0.113 0.000 1.157 371 P CA 1.665 64.877 63.100 0.188 0.000 0.868 371 P CB 0.314 32.168 31.700 0.256 0.000 0.788 372 L N -0.529 120.723 121.223 0.047 0.000 1.961 372 L HA -0.140 4.201 4.340 0.001 0.000 0.210 372 L C 2.785 179.674 176.870 0.032 0.000 1.072 372 L CA 2.463 57.269 54.840 -0.057 0.000 0.749 372 L CB -1.995 39.951 42.059 -0.189 0.000 0.889 372 L HN 0.017 nan 8.230 nan 0.000 0.432 373 T N -0.304 114.307 114.554 0.095 0.000 2.635 373 T HA -0.207 4.144 4.350 0.001 0.000 0.267 373 T C 1.764 176.504 174.700 0.066 0.000 1.040 373 T CA 1.675 63.819 62.100 0.074 0.000 1.156 373 T CB -0.437 68.470 68.868 0.064 0.000 0.863 373 T HN 0.279 nan 8.240 nan 0.000 0.430 374 N N 1.373 120.137 118.700 0.108 0.000 2.036 374 N HA -0.144 4.597 4.740 0.001 0.000 0.195 374 N C 2.245 177.794 175.510 0.065 0.000 1.037 374 N CA 1.673 54.779 53.050 0.093 0.000 0.855 374 N CB -0.650 37.916 38.487 0.131 0.000 1.033 374 N HN 0.452 nan 8.380 nan 0.000 0.423 375 A N 1.522 124.379 122.820 0.061 0.000 1.917 375 A HA -0.154 4.166 4.320 0.001 0.000 0.219 375 A C 2.378 179.978 177.584 0.027 0.000 1.182 375 A CA 1.209 53.270 52.037 0.040 0.000 0.633 375 A CB -0.712 18.305 19.000 0.027 0.000 0.819 375 A HN 0.278 nan 8.150 nan 0.000 0.448 376 I N -0.759 119.824 120.570 0.022 0.000 2.163 376 I HA -0.271 3.900 4.170 0.001 0.000 0.240 376 I C 2.546 178.671 176.117 0.014 0.000 1.081 376 I CA 1.876 63.183 61.300 0.011 0.000 1.353 376 I CB -0.451 37.557 38.000 0.014 0.000 1.054 376 I HN 0.428 nan 8.210 nan 0.000 0.407 377 K N 1.208 121.623 120.400 0.026 0.000 2.034 377 K HA -0.285 4.035 4.320 0.001 0.000 0.214 377 K C 1.732 178.355 176.600 0.038 0.000 1.051 377 K CA 2.456 58.763 56.287 0.033 0.000 0.931 377 K CB -0.166 32.357 32.500 0.038 0.000 0.715 377 K HN 0.252 nan 8.250 nan 0.000 0.446 378 D N 0.210 120.632 120.400 0.038 0.000 2.087 378 D HA -0.185 4.456 4.640 0.001 0.000 0.192 378 D C 1.876 178.196 176.300 0.033 0.000 0.993 378 D CA 1.725 55.747 54.000 0.037 0.000 0.828 378 D CB -0.555 40.268 40.800 0.037 0.000 0.968 378 D HN 0.430 nan 8.370 nan 0.000 0.448 379 A N 0.494 123.327 122.820 0.021 0.000 2.076 379 A HA -0.130 4.191 4.320 0.001 0.000 0.220 379 A C 2.356 179.937 177.584 -0.005 0.000 1.160 379 A CA 0.864 52.907 52.037 0.010 0.000 0.653 379 A CB -0.734 18.266 19.000 0.000 0.000 0.801 379 A HN 0.232 nan 8.150 nan 0.000 0.455 380 L N -1.717 119.503 121.223 -0.005 0.000 2.240 380 L HA 0.035 4.376 4.340 0.001 0.000 0.211 380 L C 1.409 178.359 176.870 0.134 0.000 1.106 380 L CA 0.798 55.624 54.840 -0.022 0.000 0.793 380 L CB -0.045 42.008 42.059 -0.010 0.000 0.927 380 L HN 0.399 nan 8.230 nan 0.000 0.446 381 A N -0.064 122.822 122.820 0.111 0.000 3.159 381 A HA 0.726 5.046 4.320 0.001 0.000 0.330 381 A C -0.313 177.318 177.584 0.078 0.000 1.032 381 A CA 0.077 52.187 52.037 0.123 0.000 0.841 381 A CB 0.303 19.362 19.000 0.098 0.000 1.093 381 A HN 0.087 nan 8.150 nan 0.000 0.478 382 A N 1.124 123.989 122.820 0.076 0.000 2.517 382 A HA 0.638 4.958 4.320 0.001 0.000 0.300 382 A C -0.327 177.288 177.584 0.051 0.000 1.225 382 A CA 0.293 52.361 52.037 0.052 0.000 0.883 382 A CB -0.227 18.797 19.000 0.040 0.000 1.459 382 A HN 1.368 nan 8.150 nan 0.000 0.437 383 T N 0.000 114.585 114.554 0.052 0.000 3.816 383 T HA 0.000 4.350 4.350 0.001 0.000 0.228 383 T CA 0.000 62.128 62.100 0.047 0.000 1.349 383 T CB 0.000 68.906 68.868 0.063 0.000 0.612 383 T HN 0.000 nan 8.240 nan 0.000 0.658