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 2zv6_1_A DATA FIRST_RESID 2 DATA SEQUENCE NSLSEANTKF MFDLFQQFRK SKENNIFYSP ISITSALGMV LLGAKDNTAQ DATA SEQUENCE QIKKVLHFXX XXXXXXXXXX XXXXXXXXNV HHQFQKLLTE FNKSTDAYEL DATA SEQUENCE KIANKLFGEK TYLFLQEYLD AIKKFYQTSV ESVDFANAPE ESRKKINSWV DATA SEQUENCE ESQTNEKIKN LIPEGNIGSN TTLVLVNAIY FKGQWEKKFN KEDTKEEKFW DATA SEQUENCE PNKNTYKSIQ MMRQYTSFHF ASLEDVQAKV LEIPYKGKDL SMIVLLPNEI DATA SEQUENCE DGLQKLEEKL TAEKLMEWTS LQNMRETRVD LHLPRFKVEE SYDLKDTLRT DATA SEQUENCE MGMVDIFNGD ADLSGMTGSR GLVLSGVLHK AFVEVTEEGX XXXXXXXXXX DATA SEQUENCE XXXXXXXXNE EFHCNHPFLF FIRQNKTNSI LFYGRFSSP 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.479 175.510 -0.052 0.000 1.280 2 N CA 0.000 53.021 53.050 -0.048 0.000 0.885 2 N CB 0.000 38.443 38.487 -0.073 0.000 1.341 3 S N -0.539 115.128 115.700 -0.054 0.000 2.440 3 S HA -0.099 4.370 4.470 -0.001 0.000 0.238 3 S C 1.471 176.035 174.600 -0.060 0.000 1.010 3 S CA 0.543 58.716 58.200 -0.044 0.000 0.972 3 S CB -0.321 62.853 63.200 -0.042 0.000 0.774 3 S HN 0.482 nan 8.310 nan 0.000 0.501 4 L N 1.386 122.542 121.223 -0.111 0.000 2.005 4 L HA -0.086 4.253 4.340 -0.001 0.000 0.207 4 L C 2.720 179.516 176.870 -0.124 0.000 1.072 4 L CA 1.859 56.595 54.840 -0.173 0.000 0.744 4 L CB -0.791 41.103 42.059 -0.274 0.000 0.895 4 L HN 0.484 nan 8.230 nan 0.000 0.433 5 S N -0.579 115.059 115.700 -0.104 0.000 2.419 5 S HA -0.261 4.208 4.470 -0.001 0.000 0.233 5 S C 1.755 176.339 174.600 -0.027 0.000 1.016 5 S CA 1.655 59.818 58.200 -0.060 0.000 0.974 5 S CB -0.179 63.002 63.200 -0.030 0.000 0.786 5 S HN 0.495 nan 8.310 nan 0.000 0.492 6 E N 0.295 120.482 120.200 -0.022 0.000 2.031 6 E HA -0.083 4.266 4.350 -0.001 0.000 0.193 6 E C 2.287 178.889 176.600 0.002 0.000 0.994 6 E CA 1.089 57.482 56.400 -0.011 0.000 0.800 6 E CB -0.343 29.352 29.700 -0.008 0.000 0.752 6 E HN 0.620 nan 8.360 nan 0.000 0.447 7 A N 1.091 123.938 122.820 0.045 0.000 1.902 7 A HA -0.253 4.066 4.320 -0.001 0.000 0.217 7 A C 1.925 179.613 177.584 0.175 0.000 1.181 7 A CA 1.897 54.021 52.037 0.144 0.000 0.623 7 A CB -0.866 18.310 19.000 0.293 0.000 0.818 7 A HN 0.337 nan 8.150 nan 0.000 0.443 8 N N -0.200 118.579 118.700 0.132 0.000 2.272 8 N HA -0.161 4.578 4.740 -0.001 0.000 0.185 8 N C 1.697 177.279 175.510 0.121 0.000 1.014 8 N CA 2.541 55.699 53.050 0.179 0.000 0.870 8 N CB -0.316 38.212 38.487 0.068 0.000 0.975 8 N HN 0.572 nan 8.380 nan 0.000 0.433 9 T N -1.960 112.598 114.554 0.006 0.000 2.770 9 T HA -0.003 4.346 4.350 -0.001 0.000 0.258 9 T C 1.671 176.301 174.700 -0.117 0.000 1.039 9 T CA 0.643 62.669 62.100 -0.122 0.000 1.143 9 T CB -0.306 68.502 68.868 -0.101 0.000 0.866 9 T HN 0.106 nan 8.240 nan 0.000 0.428 10 K N 0.896 121.268 120.400 -0.048 0.000 2.020 10 K HA -0.100 4.219 4.320 -0.001 0.000 0.212 10 K C 2.041 178.649 176.600 0.012 0.000 1.050 10 K CA 1.603 57.834 56.287 -0.093 0.000 0.929 10 K CB -0.782 31.377 32.500 -0.568 0.000 0.714 10 K HN 0.400 nan 8.250 nan 0.000 0.443 11 F N 3.186 123.132 119.950 -0.006 0.000 2.091 11 F HA -0.300 4.226 4.527 -0.002 0.000 0.299 11 F C 2.412 178.219 175.800 0.012 0.000 1.103 11 F CA 2.191 60.270 58.000 0.132 0.000 1.228 11 F CB -0.682 38.404 39.000 0.143 0.000 0.984 11 F HN 0.049 nan 8.300 nan 0.000 0.477 12 M N -0.616 118.722 119.600 -0.437 0.000 2.195 12 M HA -0.200 4.279 4.480 -0.001 0.000 0.260 12 M C 1.571 177.577 176.300 -0.491 0.000 1.066 12 M CA 2.032 56.980 55.300 -0.586 0.000 1.089 12 M CB -1.388 30.886 32.600 -0.543 0.000 1.377 12 M HN 0.097 nan 8.290 nan 0.000 0.411 13 F N 1.136 120.936 119.950 -0.250 0.000 2.187 13 F HA -0.008 4.519 4.527 -0.001 0.000 0.295 13 F C 1.893 177.636 175.800 -0.094 0.000 1.091 13 F CA 1.293 59.226 58.000 -0.113 0.000 1.308 13 F CB -0.847 38.097 39.000 -0.093 0.000 1.030 13 F HN 0.220 nan 8.300 nan 0.000 0.487 14 D N 0.053 120.482 120.400 0.049 0.000 2.092 14 D HA -0.172 4.467 4.640 -0.001 0.000 0.193 14 D C 2.332 178.494 176.300 -0.230 0.000 0.994 14 D CA 0.925 54.907 54.000 -0.030 0.000 0.828 14 D CB -0.810 40.028 40.800 0.064 0.000 0.963 14 D HN 0.053 nan 8.370 nan 0.000 0.450 15 L N 0.326 121.265 121.223 -0.473 0.000 2.013 15 L HA -0.165 4.174 4.340 -0.001 0.000 0.212 15 L C 2.071 178.508 176.870 -0.721 0.000 1.073 15 L CA 1.421 55.778 54.840 -0.805 0.000 0.753 15 L CB -1.107 40.262 42.059 -1.149 0.000 0.890 15 L HN -0.044 nan 8.230 nan 0.000 0.432 16 F N 0.674 120.318 119.950 -0.510 0.000 2.027 16 F HA -0.345 4.181 4.527 -0.001 0.000 0.297 16 F C 2.653 178.365 175.800 -0.146 0.000 1.129 16 F CA 2.225 60.102 58.000 -0.205 0.000 1.195 16 F CB -0.995 37.976 39.000 -0.048 0.000 0.960 16 F HN 0.216 nan 8.300 nan 0.000 0.485 17 Q N -0.059 119.626 119.800 -0.192 0.000 2.182 17 Q HA -0.287 4.053 4.340 -0.001 0.000 0.213 17 Q C 2.204 178.046 176.000 -0.264 0.000 1.000 17 Q CA 2.772 58.413 55.803 -0.269 0.000 0.889 17 Q CB -0.344 28.305 28.738 -0.148 0.000 0.932 17 Q HN 0.568 nan 8.270 nan 0.000 0.415 18 Q N -0.882 118.737 119.800 -0.301 0.000 2.049 18 Q HA -0.094 4.245 4.340 -0.001 0.000 0.198 18 Q C 2.133 178.013 176.000 -0.200 0.000 0.971 18 Q CA 1.191 56.823 55.803 -0.286 0.000 0.833 18 Q CB -0.469 28.034 28.738 -0.392 0.000 0.896 18 Q HN 0.494 nan 8.270 nan 0.000 0.434 19 F N 1.309 121.088 119.950 -0.285 0.000 2.154 19 F HA -0.210 4.316 4.527 -0.001 0.000 0.301 19 F C 2.715 178.399 175.800 -0.192 0.000 1.087 19 F CA 0.551 58.384 58.000 -0.278 0.000 1.274 19 F CB -0.067 38.743 39.000 -0.317 0.000 1.009 19 F HN 0.091 nan 8.300 nan 0.000 0.485 20 R N 0.770 121.229 120.500 -0.068 0.000 2.083 20 R HA -0.195 4.144 4.340 -0.001 0.000 0.237 20 R C 2.036 178.289 176.300 -0.078 0.000 1.137 20 R CA 1.621 57.634 56.100 -0.146 0.000 0.951 20 R CB -0.470 29.631 30.300 -0.332 0.000 0.851 20 R HN 0.248 nan 8.270 nan 0.000 0.434 21 K N -0.241 120.108 120.400 -0.085 0.000 2.152 21 K HA -0.088 4.231 4.320 -0.001 0.000 0.206 21 K C 2.081 178.665 176.600 -0.027 0.000 1.048 21 K CA 1.896 58.147 56.287 -0.060 0.000 0.933 21 K CB 0.128 32.584 32.500 -0.072 0.000 0.721 21 K HN 0.139 nan 8.250 nan 0.000 0.447 22 S N -0.137 115.560 115.700 -0.005 0.000 2.510 22 S HA 0.098 4.568 4.470 -0.001 0.000 0.230 22 S C 0.495 175.113 174.600 0.029 0.000 1.066 22 S CA 0.141 58.350 58.200 0.016 0.000 0.941 22 S CB 0.276 63.496 63.200 0.034 0.000 0.829 22 S HN 0.042 nan 8.310 nan 0.000 0.530 23 K N 1.835 122.261 120.400 0.043 0.000 2.211 23 K HA 0.314 4.633 4.320 -0.001 0.000 0.275 23 K C -0.445 176.184 176.600 0.048 0.000 1.024 23 K CA 0.010 56.328 56.287 0.051 0.000 0.887 23 K CB 0.901 33.439 32.500 0.064 0.000 1.084 23 K HN 0.255 nan 8.250 nan 0.000 0.463 24 E N 2.051 122.276 120.200 0.041 0.000 2.651 24 E HA 0.083 4.432 4.350 -0.001 0.000 0.208 24 E C -0.234 176.392 176.600 0.042 0.000 0.997 24 E CA -0.110 56.315 56.400 0.042 0.000 1.020 24 E CB 0.569 30.287 29.700 0.030 0.000 1.052 24 E HN 0.452 nan 8.360 nan 0.000 0.465 25 N N 0.533 119.257 118.700 0.039 0.000 3.100 25 N HA 0.202 4.941 4.740 -0.001 0.000 0.309 25 N C -0.161 175.354 175.510 0.009 0.000 1.404 25 N CA -0.499 52.554 53.050 0.005 0.000 0.727 25 N CB 0.084 38.562 38.487 -0.015 0.000 1.627 25 N HN -0.054 nan 8.380 nan 0.000 0.464 26 N N 1.904 120.584 118.700 -0.034 0.000 2.408 26 N HA 0.237 4.976 4.740 -0.001 0.000 0.257 26 N C -0.441 175.152 175.510 0.138 0.000 1.064 26 N CA -0.053 52.991 53.050 -0.010 0.000 0.952 26 N CB 0.550 38.964 38.487 -0.121 0.000 1.093 26 N HN 0.416 nan 8.380 nan 0.000 0.490 27 I N 0.100 120.818 120.570 0.246 0.000 2.382 27 I HA 0.538 4.708 4.170 -0.001 0.000 0.285 27 I C -1.358 175.093 176.117 0.556 0.000 1.007 27 I CA -0.764 60.751 61.300 0.358 0.000 1.142 27 I CB 0.833 39.001 38.000 0.280 0.000 1.289 27 I HN 0.224 nan 8.210 nan 0.000 0.453 28 F N 8.680 128.872 119.950 0.404 0.000 2.540 28 F HA 0.753 5.279 4.527 -0.001 0.000 0.317 28 F C -1.527 174.666 175.800 0.655 0.000 1.104 28 F CA -0.717 57.537 58.000 0.423 0.000 0.913 28 F CB 1.873 41.072 39.000 0.332 0.000 1.170 28 F HN 0.645 nan 8.300 nan 0.000 0.450 29 Y N 1.506 121.730 120.300 -0.126 0.000 2.604 29 Y HA 0.438 4.988 4.550 -0.001 0.000 0.331 29 Y C -1.520 174.342 175.900 -0.063 0.000 1.158 29 Y CA -1.599 56.539 58.100 0.063 0.000 1.056 29 Y CB 0.935 39.555 38.460 0.267 0.000 1.330 29 Y HN 0.363 nan 8.280 nan 0.000 0.457 30 S N 4.473 120.296 115.700 0.206 0.000 2.592 30 S HA 0.335 4.804 4.470 -0.001 0.000 0.305 30 S C -1.662 172.953 174.600 0.026 0.000 1.118 30 S CA -1.715 56.399 58.200 -0.142 0.000 1.075 30 S CB 0.291 63.335 63.200 -0.261 0.000 1.107 30 S HN 0.600 nan 8.310 nan 0.000 0.503 31 P HA -0.156 nan 4.420 nan 0.000 0.216 31 P C 1.483 178.939 177.300 0.260 0.000 1.153 31 P CA 0.785 63.971 63.100 0.142 0.000 0.858 31 P CB 0.105 31.781 31.700 -0.040 0.000 0.789 32 I N 0.573 121.228 120.570 0.142 0.000 2.252 32 I HA -0.190 3.979 4.170 -0.001 0.000 0.245 32 I C 2.587 178.885 176.117 0.302 0.000 1.102 32 I CA 1.683 63.134 61.300 0.250 0.000 1.385 32 I CB -1.044 37.075 38.000 0.197 0.000 1.064 32 I HN -0.023 nan 8.210 nan 0.000 0.414 33 S N 0.410 116.223 115.700 0.188 0.000 2.356 33 S HA -0.195 4.274 4.470 -0.001 0.000 0.223 33 S C 2.190 176.938 174.600 0.247 0.000 1.032 33 S CA 1.652 59.982 58.200 0.218 0.000 1.005 33 S CB -0.907 62.428 63.200 0.224 0.000 0.867 33 S HN 0.420 nan 8.310 nan 0.000 0.449 34 I N 1.992 122.730 120.570 0.280 0.000 2.099 34 I HA -0.184 3.986 4.170 -0.001 0.000 0.239 34 I C 2.910 179.132 176.117 0.175 0.000 1.066 34 I CA 1.884 63.332 61.300 0.247 0.000 1.324 34 I CB -0.987 37.168 38.000 0.259 0.000 1.037 34 I HN 0.353 nan 8.210 nan 0.000 0.401 35 T N 0.210 114.921 114.554 0.262 0.000 2.653 35 T HA -0.266 4.084 4.350 -0.001 0.000 0.268 35 T C 2.047 176.783 174.700 0.060 0.000 1.035 35 T CA 2.088 64.308 62.100 0.200 0.000 1.154 35 T CB -0.624 68.576 68.868 0.552 0.000 0.862 35 T HN 0.592 nan 8.240 nan 0.000 0.441 36 S N 2.185 117.773 115.700 -0.187 0.000 2.355 36 S HA 0.041 4.510 4.470 -0.001 0.000 0.222 36 S C 2.493 176.904 174.600 -0.316 0.000 1.031 36 S CA 0.977 58.652 58.200 -0.875 0.000 0.993 36 S CB -0.844 62.028 63.200 -0.545 0.000 0.859 36 S HN 0.541 nan 8.310 nan 0.000 0.453 37 A N 2.245 125.004 122.820 -0.101 0.000 1.958 37 A HA -0.040 4.280 4.320 -0.001 0.000 0.221 37 A C 2.353 179.856 177.584 -0.136 0.000 1.178 37 A CA 1.848 53.849 52.037 -0.060 0.000 0.642 37 A CB -0.987 18.058 19.000 0.075 0.000 0.816 37 A HN 0.607 nan 8.150 nan 0.000 0.453 38 L N -1.422 119.729 121.223 -0.120 0.000 2.240 38 L HA -0.010 4.329 4.340 -0.001 0.000 0.211 38 L C 2.669 179.472 176.870 -0.112 0.000 1.106 38 L CA 0.835 55.609 54.840 -0.111 0.000 0.793 38 L CB -0.762 41.227 42.059 -0.117 0.000 0.927 38 L HN 0.507 nan 8.230 nan 0.000 0.446 39 G N 0.148 108.854 108.800 -0.157 0.000 2.448 39 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.218 39 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.218 39 G C 1.641 176.358 174.900 -0.304 0.000 1.135 39 G CA 0.419 45.515 45.100 -0.006 0.000 0.784 39 G HN 0.273 nan 8.290 nan 0.000 0.543 40 M N 0.291 119.371 119.600 -0.867 0.000 2.156 40 M HA 0.044 4.523 4.480 -0.001 0.000 0.264 40 M C 2.245 178.377 176.300 -0.281 0.000 1.067 40 M CA 1.316 56.031 55.300 -0.976 0.000 1.131 40 M CB -0.228 31.823 32.600 -0.916 0.000 1.368 40 M HN 0.025 nan 8.290 nan 0.000 0.416 41 V N 1.498 121.314 119.914 -0.164 0.000 2.358 41 V HA -0.240 3.879 4.120 -0.001 0.000 0.246 41 V C 2.561 178.647 176.094 -0.014 0.000 1.047 41 V CA 1.562 63.840 62.300 -0.036 0.000 1.035 41 V CB -0.737 31.043 31.823 -0.072 0.000 0.658 41 V HN 0.630 nan 8.190 nan 0.000 0.452 42 L N -0.430 120.787 121.223 -0.010 0.000 2.129 42 L HA -0.200 4.139 4.340 -0.001 0.000 0.212 42 L C 2.120 179.043 176.870 0.089 0.000 1.087 42 L CA 1.795 56.667 54.840 0.053 0.000 0.757 42 L CB -0.562 41.580 42.059 0.138 0.000 0.896 42 L HN 0.216 nan 8.230 nan 0.000 0.434 43 L N -0.357 120.906 121.223 0.067 0.000 1.971 43 L HA -0.182 4.157 4.340 -0.001 0.000 0.215 43 L C 1.942 178.888 176.870 0.128 0.000 1.072 43 L CA 1.684 56.533 54.840 0.015 0.000 0.758 43 L CB -1.093 40.925 42.059 -0.069 0.000 0.889 43 L HN 0.517 nan 8.230 nan 0.000 0.433 44 G N -0.977 107.930 108.800 0.178 0.000 3.374 44 G HA2 0.396 4.355 3.960 -0.001 0.000 0.252 44 G HA3 0.396 4.355 3.960 -0.001 0.000 0.252 44 G C -0.027 174.775 174.900 -0.162 0.000 1.326 44 G CA 0.416 45.408 45.100 -0.180 0.000 1.133 44 G HN 0.375 nan 8.290 nan 0.000 0.528 45 A N -0.060 122.721 122.820 -0.065 0.000 2.374 45 A HA 0.875 5.194 4.320 -0.001 0.000 0.317 45 A C -0.561 177.001 177.584 -0.036 0.000 1.094 45 A CA -0.766 51.229 52.037 -0.070 0.000 0.765 45 A CB 2.365 21.323 19.000 -0.071 0.000 1.268 45 A HN 0.165 nan 8.150 nan 0.000 0.438 46 K N 1.158 121.532 120.400 -0.044 0.000 2.480 46 K HA 0.595 4.914 4.320 -0.001 0.000 0.258 46 K C -0.300 176.282 176.600 -0.029 0.000 0.990 46 K CA 0.012 56.284 56.287 -0.025 0.000 0.857 46 K CB 1.032 33.519 32.500 -0.022 0.000 1.384 46 K HN 0.782 nan 8.250 nan 0.000 0.446 47 D N 0.126 120.516 120.400 -0.018 0.000 3.395 47 D HA -0.282 4.357 4.640 -0.001 0.000 0.238 47 D C 0.580 176.865 176.300 -0.026 0.000 1.741 47 D CA 0.984 54.972 54.000 -0.019 0.000 1.135 47 D CB -0.392 40.395 40.800 -0.022 0.000 0.767 47 D HN 0.755 nan 8.370 nan 0.000 0.934 48 N N -0.184 118.499 118.700 -0.028 0.000 2.322 48 N HA -0.153 4.586 4.740 -0.001 0.000 0.189 48 N C 1.484 176.966 175.510 -0.046 0.000 1.012 48 N CA 2.017 55.047 53.050 -0.034 0.000 0.880 48 N CB -0.170 38.299 38.487 -0.030 0.000 0.967 48 N HN 0.414 nan 8.380 nan 0.000 0.439 49 T N 0.120 114.642 114.554 -0.054 0.000 2.857 49 T HA 0.028 4.377 4.350 -0.001 0.000 0.266 49 T C 1.971 176.624 174.700 -0.078 0.000 1.048 49 T CA 1.064 63.118 62.100 -0.076 0.000 1.139 49 T CB -0.086 68.727 68.868 -0.093 0.000 0.874 49 T HN 0.300 nan 8.240 nan 0.000 0.455 50 A N 0.977 123.763 122.820 -0.056 0.000 1.970 50 A HA 0.014 4.333 4.320 -0.001 0.000 0.216 50 A C 2.284 179.843 177.584 -0.041 0.000 1.170 50 A CA 0.838 52.851 52.037 -0.039 0.000 0.645 50 A CB -0.492 18.503 19.000 -0.008 0.000 0.816 50 A HN 0.429 nan 8.150 nan 0.000 0.447 51 Q N -0.322 119.454 119.800 -0.041 0.000 2.084 51 Q HA -0.227 4.112 4.340 -0.001 0.000 0.202 51 Q C 2.338 178.289 176.000 -0.081 0.000 0.978 51 Q CA 1.707 57.482 55.803 -0.046 0.000 0.844 51 Q CB -0.153 28.564 28.738 -0.036 0.000 0.898 51 Q HN 0.792 nan 8.270 nan 0.000 0.426 52 Q N 0.271 120.021 119.800 -0.083 0.000 2.045 52 Q HA -0.216 4.123 4.340 -0.001 0.000 0.206 52 Q C 2.203 178.115 176.000 -0.148 0.000 0.991 52 Q CA 1.487 57.231 55.803 -0.098 0.000 0.851 52 Q CB -0.613 28.081 28.738 -0.072 0.000 0.911 52 Q HN 0.456 nan 8.270 nan 0.000 0.418 53 I N 1.238 121.719 120.570 -0.148 0.000 2.113 53 I HA -0.339 3.830 4.170 -0.001 0.000 0.242 53 I C 2.471 178.371 176.117 -0.361 0.000 1.064 53 I CA 1.751 62.928 61.300 -0.206 0.000 1.320 53 I CB -0.399 37.516 38.000 -0.142 0.000 1.028 53 I HN 0.173 nan 8.210 nan 0.000 0.406 54 K N 0.923 121.142 120.400 -0.302 0.000 2.103 54 K HA -0.239 4.080 4.320 -0.001 0.000 0.207 54 K C 2.047 178.313 176.600 -0.557 0.000 1.048 54 K CA 1.956 57.969 56.287 -0.456 0.000 0.930 54 K CB -0.146 32.324 32.500 -0.051 0.000 0.716 54 K HN 0.362 nan 8.250 nan 0.000 0.444 55 K N 0.305 120.502 120.400 -0.339 0.000 2.062 55 K HA -0.035 4.284 4.320 -0.001 0.000 0.205 55 K C 1.777 178.100 176.600 -0.461 0.000 1.051 55 K CA 1.155 57.253 56.287 -0.315 0.000 0.941 55 K CB -0.572 31.810 32.500 -0.196 0.000 0.719 55 K HN -0.143 nan 8.250 nan 0.000 0.440 56 V N 0.845 120.523 119.914 -0.392 0.000 2.407 56 V HA -0.153 3.966 4.120 -0.001 0.000 0.248 56 V C 1.941 177.781 176.094 -0.424 0.000 1.055 56 V CA 1.402 63.497 62.300 -0.341 0.000 1.049 56 V CB -0.364 31.334 31.823 -0.209 0.000 0.662 56 V HN 0.286 nan 8.190 nan 0.000 0.455 57 L N -0.608 120.226 121.223 -0.649 0.000 2.554 57 L HA 0.194 4.533 4.340 -0.001 0.000 0.226 57 L C 0.929 177.485 176.870 -0.523 0.000 1.137 57 L CA 0.814 55.190 54.840 -0.772 0.000 0.863 57 L CB -0.939 40.389 42.059 -1.218 0.000 0.985 57 L HN 0.484 nan 8.230 nan 0.000 0.451 58 H N -2.071 116.731 119.070 -0.447 0.000 2.984 58 H HA -0.153 4.402 4.556 -0.001 0.000 0.297 58 H C -0.330 175.117 175.328 0.199 0.000 1.295 58 H CA 0.279 56.278 56.048 -0.082 0.000 1.158 58 H CB -1.777 28.027 29.762 0.070 0.000 1.361 58 H HN 0.043 nan 8.280 nan 0.000 0.416 81 V N 3.816 123.618 119.914 -0.186 0.000 0.673 81 V HA -0.507 3.612 4.120 -0.001 0.000 0.092 81 V C 1.531 177.507 176.094 -0.197 0.000 1.052 81 V CA 2.962 65.069 62.300 -0.322 0.000 3.156 81 V CB -1.420 30.064 31.823 -0.565 0.000 0.340 81 V HN 0.986 nan 8.190 nan 0.000 0.313 82 H N -0.299 118.708 119.070 -0.104 0.000 2.466 82 H HA -0.188 4.367 4.556 -0.001 0.000 0.297 82 H C 2.129 177.394 175.328 -0.106 0.000 1.113 82 H CA 1.989 57.893 56.048 -0.240 0.000 1.273 82 H CB -0.708 28.588 29.762 -0.776 0.000 1.371 82 H HN 0.844 nan 8.280 nan 0.000 0.528 83 H N 1.653 120.760 119.070 0.062 0.000 2.290 83 H HA -0.109 4.447 4.556 -0.001 0.000 0.298 83 H C 2.055 177.457 175.328 0.122 0.000 1.087 83 H CA 1.871 58.071 56.048 0.254 0.000 1.291 83 H CB 0.466 30.313 29.762 0.142 0.000 1.369 83 H HN 0.501 nan 8.280 nan 0.000 0.492 84 Q N -0.745 119.160 119.800 0.175 0.000 2.245 84 Q HA -0.098 4.241 4.340 -0.001 0.000 0.201 84 Q C 2.263 178.235 176.000 -0.045 0.000 0.955 84 Q CA 0.629 56.449 55.803 0.029 0.000 0.870 84 Q CB -0.893 27.796 28.738 -0.082 0.000 0.945 84 Q HN 0.454 nan 8.270 nan 0.000 0.461 85 F N 2.009 121.888 119.950 -0.119 0.000 2.407 85 F HA -0.111 4.415 4.527 -0.001 0.000 0.299 85 F C 2.636 178.262 175.800 -0.290 0.000 1.097 85 F CA 0.895 58.774 58.000 -0.202 0.000 1.422 85 F CB 0.391 39.263 39.000 -0.213 0.000 1.067 85 F HN 0.164 nan 8.300 nan 0.000 0.539 86 Q N 0.486 120.288 119.800 0.003 0.000 2.204 86 Q HA -0.149 4.190 4.340 -0.001 0.000 0.198 86 Q C 2.157 178.118 176.000 -0.064 0.000 0.946 86 Q CA 0.747 56.507 55.803 -0.072 0.000 0.859 86 Q CB -0.051 28.702 28.738 0.025 0.000 0.946 86 Q HN 0.309 nan 8.270 nan 0.000 0.474 87 K N 0.248 120.634 120.400 -0.025 0.000 2.002 87 K HA -0.114 4.205 4.320 -0.001 0.000 0.209 87 K C 2.184 178.725 176.600 -0.098 0.000 1.048 87 K CA 1.113 57.382 56.287 -0.030 0.000 0.930 87 K CB 0.011 32.528 32.500 0.028 0.000 0.714 87 K HN 0.235 nan 8.250 nan 0.000 0.438 88 L N 1.018 122.145 121.223 -0.159 0.000 2.056 88 L HA -0.170 4.169 4.340 -0.001 0.000 0.207 88 L C 2.462 178.987 176.870 -0.575 0.000 1.078 88 L CA 1.244 55.885 54.840 -0.333 0.000 0.749 88 L CB -0.872 40.979 42.059 -0.347 0.000 0.901 88 L HN 0.313 nan 8.230 nan 0.000 0.433 89 L N -0.099 120.919 121.223 -0.343 0.000 1.970 89 L HA -0.287 4.052 4.340 -0.001 0.000 0.212 89 L C 2.797 179.559 176.870 -0.181 0.000 1.071 89 L CA 2.273 56.944 54.840 -0.282 0.000 0.751 89 L CB -0.547 41.454 42.059 -0.096 0.000 0.889 89 L HN 0.463 nan 8.230 nan 0.000 0.432 90 T N -2.789 111.704 114.554 -0.103 0.000 2.620 90 T HA -0.368 3.981 4.350 -0.001 0.000 0.267 90 T C 1.608 176.328 174.700 0.033 0.000 1.044 90 T CA 1.703 63.788 62.100 -0.025 0.000 1.161 90 T CB -0.603 68.248 68.868 -0.027 0.000 0.862 90 T HN 0.318 nan 8.240 nan 0.000 0.438 91 E N 1.373 121.578 120.200 0.008 0.000 2.072 91 E HA -0.191 4.158 4.350 -0.001 0.000 0.218 91 E C 1.878 178.725 176.600 0.412 0.000 1.051 91 E CA 2.272 58.775 56.400 0.171 0.000 0.880 91 E CB -0.904 28.897 29.700 0.168 0.000 0.783 91 E HN 0.792 nan 8.360 nan 0.000 0.473 92 F N -0.294 119.757 119.950 0.168 0.000 2.307 92 F HA -0.142 4.384 4.527 -0.001 0.000 0.301 92 F C 1.800 177.759 175.800 0.265 0.000 1.076 92 F CA 0.153 58.309 58.000 0.260 0.000 1.383 92 F CB -0.226 38.872 39.000 0.164 0.000 1.055 92 F HN 0.104 nan 8.300 nan 0.000 0.526 93 N N 0.502 119.396 118.700 0.324 0.000 2.463 93 N HA -0.074 4.665 4.740 -0.001 0.000 0.181 93 N C 0.756 176.353 175.510 0.145 0.000 1.078 93 N CA 0.368 53.542 53.050 0.207 0.000 0.902 93 N CB -0.176 38.388 38.487 0.128 0.000 0.970 93 N HN 0.097 nan 8.380 nan 0.000 0.451 94 K N 2.169 122.661 120.400 0.154 0.000 2.245 94 K HA 0.043 4.362 4.320 -0.001 0.000 0.281 94 K C -0.335 176.283 176.600 0.029 0.000 1.079 94 K CA 0.179 56.517 56.287 0.085 0.000 1.000 94 K CB -0.114 32.444 32.500 0.097 0.000 1.038 94 K HN -0.140 nan 8.250 nan 0.000 0.430 95 S N 2.705 118.407 115.700 0.003 0.000 2.593 95 S HA -0.052 4.417 4.470 -0.001 0.000 0.300 95 S C -0.000 174.533 174.600 -0.111 0.000 1.267 95 S CA 0.601 58.768 58.200 -0.054 0.000 1.065 95 S CB 0.219 63.398 63.200 -0.035 0.000 0.807 95 S HN 0.763 nan 8.310 nan 0.000 0.499 96 T N 1.457 115.876 114.554 -0.224 0.000 2.821 96 T HA 0.393 4.742 4.350 -0.001 0.000 0.306 96 T C -0.567 173.962 174.700 -0.285 0.000 1.313 96 T CA -0.593 61.359 62.100 -0.247 0.000 1.012 96 T CB 1.099 69.783 68.868 -0.308 0.000 1.298 96 T HN 0.587 nan 8.240 nan 0.000 0.502 97 D N 0.897 121.182 120.400 -0.192 0.000 2.349 97 D HA 0.303 4.942 4.640 -0.001 0.000 0.214 97 D C 1.738 177.956 176.300 -0.138 0.000 1.063 97 D CA 0.531 54.440 54.000 -0.151 0.000 0.847 97 D CB -0.166 40.584 40.800 -0.084 0.000 0.933 97 D HN 0.499 nan 8.370 nan 0.000 0.513 98 A N -0.290 122.429 122.820 -0.169 0.000 1.902 98 A HA 0.115 4.434 4.320 -0.001 0.000 0.217 98 A C 0.695 178.297 177.584 0.030 0.000 1.181 98 A CA 1.440 53.468 52.037 -0.014 0.000 0.623 98 A CB -0.524 18.525 19.000 0.082 0.000 0.818 98 A HN 0.530 nan 8.150 nan 0.000 0.443 99 Y N -3.109 117.110 120.300 -0.135 0.000 3.097 99 Y HA 0.644 5.193 4.550 -0.001 0.000 0.291 99 Y C -0.766 174.952 175.900 -0.303 0.000 1.799 99 Y CA -0.887 57.005 58.100 -0.347 0.000 1.074 99 Y CB 0.652 38.836 38.460 -0.460 0.000 1.789 99 Y HN 0.143 nan 8.280 nan 0.000 0.446 100 E N 1.104 121.223 120.200 -0.134 0.000 2.522 100 E HA 0.496 4.846 4.350 -0.001 0.000 0.315 100 E C -2.358 174.295 176.600 0.088 0.000 0.917 100 E CA -0.829 55.549 56.400 -0.036 0.000 0.796 100 E CB 1.353 31.001 29.700 -0.087 0.000 1.323 100 E HN 0.913 nan 8.360 nan 0.000 0.397 101 L N 1.162 122.590 121.223 0.341 0.000 2.370 101 L HA 0.800 5.140 4.340 -0.001 0.000 0.266 101 L C -0.886 176.195 176.870 0.353 0.000 1.002 101 L CA -0.964 54.146 54.840 0.450 0.000 0.818 101 L CB 1.830 44.259 42.059 0.617 0.000 1.325 101 L HN 0.357 nan 8.230 nan 0.000 0.418 102 K N 3.726 124.349 120.400 0.373 0.000 2.575 102 K HA 0.530 4.849 4.320 -0.001 0.000 0.236 102 K C -1.064 175.671 176.600 0.225 0.000 0.976 102 K CA -0.164 56.263 56.287 0.233 0.000 0.985 102 K CB 1.359 33.947 32.500 0.148 0.000 1.198 102 K HN 0.766 nan 8.250 nan 0.000 0.464 103 I N 2.063 122.755 120.570 0.204 0.000 2.281 103 I HA 0.211 4.380 4.170 -0.001 0.000 0.293 103 I C 0.488 176.701 176.117 0.159 0.000 1.085 103 I CA -0.656 60.762 61.300 0.197 0.000 1.257 103 I CB 1.007 39.136 38.000 0.216 0.000 1.430 103 I HN 0.351 nan 8.210 nan 0.000 0.489 104 A N 6.467 129.366 122.820 0.132 0.000 2.910 104 A HA 0.222 4.541 4.320 -0.001 0.000 0.316 104 A C 0.068 177.929 177.584 0.462 0.000 1.493 104 A CA -0.432 51.676 52.037 0.119 0.000 1.150 104 A CB -0.293 18.589 19.000 -0.196 0.000 1.159 104 A HN 0.802 nan 8.150 nan 0.000 0.526 105 N N 2.403 121.408 118.700 0.508 0.000 2.621 105 N HA 0.231 4.970 4.740 -0.001 0.000 0.237 105 N C -1.003 174.703 175.510 0.327 0.000 0.997 105 N CA -0.086 53.201 53.050 0.396 0.000 0.918 105 N CB 0.523 39.163 38.487 0.255 0.000 1.122 105 N HN 0.560 nan 8.380 nan 0.000 0.510 106 K N 3.013 123.556 120.400 0.239 0.000 2.443 106 K HA 0.379 4.698 4.320 -0.001 0.000 0.251 106 K C -1.348 175.317 176.600 0.107 0.000 0.972 106 K CA -0.788 55.493 56.287 -0.009 0.000 0.833 106 K CB 1.691 33.890 32.500 -0.502 0.000 1.317 106 K HN 0.251 nan 8.250 nan 0.000 0.441 107 L N 3.310 124.514 121.223 -0.031 0.000 2.275 107 L HA 0.436 4.775 4.340 -0.001 0.000 0.288 107 L C -1.264 175.600 176.870 -0.010 0.000 1.046 107 L CA -0.138 54.725 54.840 0.039 0.000 0.805 107 L CB 0.262 42.282 42.059 -0.066 0.000 1.193 107 L HN 0.443 nan 8.230 nan 0.000 0.426 108 F N 2.860 122.803 119.950 -0.012 0.000 2.402 108 F HA 0.709 5.235 4.527 -0.001 0.000 0.355 108 F C 0.787 176.737 175.800 0.250 0.000 1.123 108 F CA -0.646 57.371 58.000 0.028 0.000 1.021 108 F CB 1.853 40.903 39.000 0.084 0.000 1.160 108 F HN 0.502 nan 8.300 nan 0.000 0.451 109 G N 1.888 110.834 108.800 0.243 0.000 2.569 109 G HA2 0.381 4.340 3.960 -0.001 0.000 0.300 109 G HA3 0.381 4.340 3.960 -0.001 0.000 0.300 109 G C -1.106 173.908 174.900 0.190 0.000 1.269 109 G CA -0.630 44.726 45.100 0.427 0.000 0.959 109 G HN 0.311 nan 8.290 nan 0.000 0.478 110 E N 0.244 120.686 120.200 0.403 0.000 2.414 110 E HA 0.012 4.361 4.350 -0.001 0.000 0.263 110 E C 1.173 177.917 176.600 0.239 0.000 1.000 110 E CA -0.025 56.571 56.400 0.328 0.000 0.914 110 E CB 1.136 31.167 29.700 0.552 0.000 0.948 110 E HN 0.556 nan 8.360 nan 0.000 0.444 111 K N 1.246 121.703 120.400 0.096 0.000 1.987 111 K HA -0.236 4.083 4.320 -0.001 0.000 0.216 111 K C 1.880 178.528 176.600 0.080 0.000 1.051 111 K CA 2.167 58.497 56.287 0.070 0.000 0.942 111 K CB -0.994 31.516 32.500 0.017 0.000 0.722 111 K HN 0.667 nan 8.250 nan 0.000 0.444 112 T N -0.924 113.650 114.554 0.033 0.000 2.903 112 T HA -0.270 4.079 4.350 -0.001 0.000 0.263 112 T C 0.309 174.867 174.700 -0.236 0.000 1.100 112 T CA 1.090 63.129 62.100 -0.102 0.000 1.135 112 T CB -0.767 67.999 68.868 -0.169 0.000 0.807 112 T HN 0.200 nan 8.240 nan 0.000 0.542 113 Y N 0.640 120.882 120.300 -0.097 0.000 2.327 113 Y HA 0.543 5.092 4.550 -0.002 0.000 0.336 113 Y C -0.027 175.707 175.900 -0.277 0.000 1.035 113 Y CA -1.650 56.302 58.100 -0.246 0.000 1.165 113 Y CB 0.846 39.078 38.460 -0.380 0.000 1.181 113 Y HN 0.030 nan 8.280 nan 0.000 0.494 114 L N 5.437 126.564 121.223 -0.160 0.000 2.264 114 L HA 0.338 4.677 4.340 -0.001 0.000 0.287 114 L C -0.895 175.930 176.870 -0.075 0.000 1.039 114 L CA -0.867 53.936 54.840 -0.061 0.000 0.829 114 L CB -0.500 41.536 42.059 -0.038 0.000 1.211 114 L HN 0.411 nan 8.230 nan 0.000 0.427 115 F N 3.619 123.595 119.950 0.042 0.000 2.438 115 F HA 0.247 4.773 4.527 -0.001 0.000 0.356 115 F C 0.578 176.409 175.800 0.053 0.000 1.099 115 F CA -0.608 57.419 58.000 0.046 0.000 1.185 115 F CB 0.583 39.627 39.000 0.073 0.000 1.115 115 F HN 0.182 nan 8.300 nan 0.000 0.526 116 L N 3.195 124.559 121.223 0.235 0.000 2.540 116 L HA -0.059 4.280 4.340 -0.001 0.000 0.276 116 L C 1.542 178.526 176.870 0.189 0.000 1.212 116 L CA 0.484 55.423 54.840 0.164 0.000 0.893 116 L CB 0.439 42.573 42.059 0.125 0.000 1.138 116 L HN 0.645 nan 8.230 nan 0.000 0.491 117 Q N 1.891 121.762 119.800 0.118 0.000 2.135 117 Q HA -0.220 4.120 4.340 -0.001 0.000 0.204 117 Q C 1.697 177.742 176.000 0.075 0.000 0.981 117 Q CA 1.705 57.557 55.803 0.081 0.000 0.856 117 Q CB 0.006 28.772 28.738 0.047 0.000 0.902 117 Q HN 0.614 nan 8.270 nan 0.000 0.425 118 E N -0.768 119.485 120.200 0.088 0.000 2.048 118 E HA -0.242 4.107 4.350 -0.001 0.000 0.202 118 E C 1.811 178.471 176.600 0.100 0.000 1.021 118 E CA 1.625 58.074 56.400 0.082 0.000 0.825 118 E CB -0.572 29.181 29.700 0.089 0.000 0.756 118 E HN 0.548 nan 8.360 nan 0.000 0.454 119 Y N 1.248 121.567 120.300 0.031 0.000 2.114 119 Y HA -0.226 4.323 4.550 -0.001 0.000 0.282 119 Y C 2.363 178.262 175.900 -0.002 0.000 1.165 119 Y CA 1.799 59.910 58.100 0.020 0.000 1.148 119 Y CB -0.597 37.893 38.460 0.050 0.000 0.972 119 Y HN -0.000 nan 8.280 nan 0.000 0.504 120 L N -0.107 121.076 121.223 -0.067 0.000 2.187 120 L HA -0.251 4.088 4.340 -0.001 0.000 0.213 120 L C 2.062 178.832 176.870 -0.167 0.000 1.100 120 L CA 1.446 56.179 54.840 -0.179 0.000 0.765 120 L CB -0.611 41.410 42.059 -0.064 0.000 0.904 120 L HN 0.221 nan 8.230 nan 0.000 0.437 121 D N 0.138 120.481 120.400 -0.096 0.000 2.084 121 D HA -0.120 4.519 4.640 -0.001 0.000 0.196 121 D C 2.291 178.552 176.300 -0.066 0.000 0.985 121 D CA 1.536 55.495 54.000 -0.068 0.000 0.826 121 D CB -0.115 40.668 40.800 -0.028 0.000 0.978 121 D HN 0.273 nan 8.370 nan 0.000 0.456 122 A N 1.189 123.986 122.820 -0.037 0.000 1.883 122 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 122 A C 2.367 180.046 177.584 0.158 0.000 1.186 122 A CA 1.888 54.000 52.037 0.124 0.000 0.624 122 A CB -0.964 18.075 19.000 0.065 0.000 0.822 122 A HN 0.430 nan 8.150 nan 0.000 0.444 123 I N -3.689 116.794 120.570 -0.146 0.000 2.315 123 I HA -0.123 4.047 4.170 -0.001 0.000 0.248 123 I C 2.136 178.270 176.117 0.028 0.000 1.117 123 I CA 1.987 63.234 61.300 -0.088 0.000 1.404 123 I CB -0.319 37.410 38.000 -0.452 0.000 1.071 123 I HN 0.010 nan 8.210 nan 0.000 0.419 124 K N 2.115 122.474 120.400 -0.070 0.000 2.026 124 K HA -0.234 4.085 4.320 -0.001 0.000 0.208 124 K C 2.185 178.763 176.600 -0.038 0.000 1.048 124 K CA 2.314 58.572 56.287 -0.048 0.000 0.929 124 K CB -0.288 32.166 32.500 -0.078 0.000 0.713 124 K HN 0.520 nan 8.250 nan 0.000 0.439 125 K N -0.579 119.770 120.400 -0.085 0.000 1.985 125 K HA -0.125 4.195 4.320 -0.001 0.000 0.210 125 K C 2.139 178.592 176.600 -0.246 0.000 1.047 125 K CA 1.892 58.047 56.287 -0.219 0.000 0.932 125 K CB -0.401 31.874 32.500 -0.374 0.000 0.716 125 K HN 0.039 nan 8.250 nan 0.000 0.439 126 F N -1.093 118.817 119.950 -0.066 0.000 2.456 126 F HA 0.028 4.554 4.527 -0.001 0.000 0.298 126 F C 0.921 176.497 175.800 -0.373 0.000 1.104 126 F CA 0.528 58.424 58.000 -0.173 0.000 1.435 126 F CB 0.273 39.214 39.000 -0.099 0.000 1.078 126 F HN 0.070 nan 8.300 nan 0.000 0.546 127 Y N -1.309 119.047 120.300 0.093 0.000 2.626 127 Y HA 0.198 4.747 4.550 -0.001 0.000 0.248 127 Y C 0.331 176.240 175.900 0.015 0.000 1.147 127 Y CA -0.762 57.356 58.100 0.030 0.000 1.219 127 Y CB -0.081 38.364 38.460 -0.025 0.000 1.279 127 Y HN -0.154 nan 8.280 nan 0.000 0.541 128 Q N 0.615 120.470 119.800 0.092 0.000 2.408 128 Q HA -0.232 4.107 4.340 -0.001 0.000 0.290 128 Q C 0.136 176.189 176.000 0.089 0.000 1.221 128 Q CA 1.608 57.446 55.803 0.058 0.000 0.895 128 Q CB -1.492 27.275 28.738 0.049 0.000 1.241 128 Q HN 0.398 nan 8.270 nan 0.000 0.494 129 T N -2.616 111.988 114.554 0.083 0.000 2.812 129 T HA 0.831 5.181 4.350 -0.001 0.000 0.294 129 T C -0.989 173.687 174.700 -0.039 0.000 1.159 129 T CA 0.018 62.156 62.100 0.063 0.000 1.008 129 T CB 2.045 70.974 68.868 0.102 0.000 1.289 129 T HN 0.056 nan 8.240 nan 0.000 0.514 130 S N -0.086 115.553 115.700 -0.102 0.000 2.588 130 S HA 0.621 5.091 4.470 -0.001 0.000 0.269 130 S C -0.727 173.688 174.600 -0.310 0.000 1.157 130 S CA -0.591 57.488 58.200 -0.202 0.000 0.824 130 S CB 1.374 64.468 63.200 -0.177 0.000 1.126 130 S HN 0.708 nan 8.310 nan 0.000 0.464 131 V N 1.744 121.426 119.914 -0.386 0.000 3.503 131 V HA 0.463 4.582 4.120 -0.001 0.000 0.300 131 V C 0.162 175.914 176.094 -0.570 0.000 1.099 131 V CA 0.031 62.007 62.300 -0.540 0.000 1.117 131 V CB 0.986 32.262 31.823 -0.912 0.000 1.122 131 V HN 0.937 nan 8.190 nan 0.000 0.476 132 E N 0.326 120.144 120.200 -0.636 0.000 2.466 132 E HA 0.286 4.635 4.350 -0.001 0.000 0.308 132 E C -0.949 175.386 176.600 -0.441 0.000 0.933 132 E CA -0.092 55.933 56.400 -0.625 0.000 0.800 132 E CB 1.143 30.204 29.700 -1.064 0.000 1.434 132 E HN 0.546 nan 8.360 nan 0.000 0.389 133 S N 2.031 117.600 115.700 -0.218 0.000 2.552 133 S HA 0.364 4.833 4.470 -0.001 0.000 0.289 133 S C -0.652 173.842 174.600 -0.177 0.000 1.304 133 S CA -0.021 58.129 58.200 -0.084 0.000 1.063 133 S CB 1.002 64.213 63.200 0.019 0.000 0.848 133 S HN 0.543 nan 8.310 nan 0.000 0.499 134 V N 3.172 122.946 119.914 -0.233 0.000 3.048 134 V HA 0.319 4.439 4.120 -0.001 0.000 0.303 134 V C -1.313 174.581 176.094 -0.334 0.000 1.214 134 V CA -0.945 61.169 62.300 -0.311 0.000 0.984 134 V CB 2.396 33.965 31.823 -0.424 0.000 1.054 134 V HN 0.805 nan 8.190 nan 0.000 0.430 135 D N 4.384 124.679 120.400 -0.175 0.000 2.541 135 D HA 0.194 4.833 4.640 -0.001 0.000 0.231 135 D C 0.839 177.140 176.300 0.001 0.000 1.163 135 D CA 0.386 54.351 54.000 -0.060 0.000 1.077 135 D CB -0.320 40.475 40.800 -0.009 0.000 1.110 135 D HN 0.518 nan 8.370 nan 0.000 0.499 136 F N 1.333 121.336 119.950 0.088 0.000 2.113 136 F HA -0.140 4.386 4.527 -0.001 0.000 0.297 136 F C 2.404 178.243 175.800 0.065 0.000 1.103 136 F CA 0.680 58.728 58.000 0.080 0.000 1.248 136 F CB -0.072 38.981 39.000 0.088 0.000 0.999 136 F HN 0.376 nan 8.300 nan 0.000 0.475 137 A N 1.250 124.233 122.820 0.272 0.000 1.908 137 A HA -0.262 4.057 4.320 -0.001 0.000 0.211 137 A C 1.991 179.644 177.584 0.115 0.000 1.225 137 A CA 2.137 54.272 52.037 0.163 0.000 0.689 137 A CB -1.269 17.806 19.000 0.126 0.000 0.843 137 A HN 0.402 nan 8.150 nan 0.000 0.472 138 N N 0.290 119.041 118.700 0.085 0.000 2.166 138 N HA -0.048 4.691 4.740 -0.001 0.000 0.186 138 N C 0.704 176.252 175.510 0.063 0.000 1.019 138 N CA 1.376 54.463 53.050 0.061 0.000 0.856 138 N CB -0.252 38.261 38.487 0.042 0.000 0.993 138 N HN 0.509 nan 8.380 nan 0.000 0.426 139 A N 1.322 124.186 122.820 0.073 0.000 3.204 139 A HA 0.310 4.629 4.320 -0.001 0.000 0.327 139 A C -1.695 175.951 177.584 0.103 0.000 0.998 139 A CA -1.159 50.920 52.037 0.070 0.000 0.891 139 A CB 0.831 19.858 19.000 0.046 0.000 1.061 139 A HN -0.019 nan 8.150 nan 0.000 0.478 140 P HA -0.167 nan 4.420 nan 0.000 0.221 140 P C 1.161 178.546 177.300 0.141 0.000 1.150 140 P CA 1.235 64.445 63.100 0.183 0.000 0.800 140 P CB 0.354 32.143 31.700 0.149 0.000 0.787 141 E N 1.507 121.764 120.200 0.094 0.000 2.028 141 E HA -0.215 4.135 4.350 -0.001 0.000 0.190 141 E C 1.988 178.632 176.600 0.072 0.000 0.984 141 E CA 1.138 57.582 56.400 0.074 0.000 0.800 141 E CB -1.262 28.471 29.700 0.054 0.000 0.758 141 E HN 0.299 nan 8.360 nan 0.000 0.448 142 E N 0.754 120.993 120.200 0.065 0.000 2.333 142 E HA -0.101 4.248 4.350 -0.001 0.000 0.198 142 E C 1.814 178.454 176.600 0.067 0.000 1.007 142 E CA 0.790 57.224 56.400 0.057 0.000 0.845 142 E CB 0.116 29.843 29.700 0.045 0.000 0.766 142 E HN 0.166 nan 8.360 nan 0.000 0.507 143 S N 0.214 115.965 115.700 0.086 0.000 2.357 143 S HA -0.088 4.381 4.470 -0.001 0.000 0.221 143 S C 1.796 176.470 174.600 0.123 0.000 1.031 143 S CA 0.745 59.003 58.200 0.097 0.000 0.982 143 S CB -0.132 63.166 63.200 0.163 0.000 0.853 143 S HN 0.277 nan 8.310 nan 0.000 0.458 144 R N 1.137 121.712 120.500 0.123 0.000 2.103 144 R HA -0.184 4.155 4.340 -0.001 0.000 0.234 144 R C 2.148 178.484 176.300 0.060 0.000 1.132 144 R CA 1.885 58.036 56.100 0.085 0.000 0.925 144 R CB -0.261 30.081 30.300 0.070 0.000 0.842 144 R HN 0.132 nan 8.270 nan 0.000 0.430 145 K N 0.739 121.178 120.400 0.065 0.000 2.077 145 K HA -0.208 4.111 4.320 -0.001 0.000 0.213 145 K C 2.021 178.677 176.600 0.094 0.000 1.051 145 K CA 1.934 58.262 56.287 0.067 0.000 0.929 145 K CB -0.213 32.324 32.500 0.062 0.000 0.715 145 K HN 0.166 nan 8.250 nan 0.000 0.451 146 K N 0.267 120.733 120.400 0.110 0.000 2.032 146 K HA -0.221 4.098 4.320 -0.001 0.000 0.218 146 K C 2.093 178.833 176.600 0.233 0.000 1.054 146 K CA 2.307 58.694 56.287 0.167 0.000 0.941 146 K CB -0.527 32.075 32.500 0.170 0.000 0.720 146 K HN 0.175 nan 8.250 nan 0.000 0.449 147 I N 0.892 121.522 120.570 0.101 0.000 2.252 147 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 147 I C 2.039 178.193 176.117 0.062 0.000 1.102 147 I CA 0.965 62.163 61.300 -0.170 0.000 1.385 147 I CB -0.535 37.062 38.000 -0.673 0.000 1.064 147 I HN 0.096 nan 8.210 nan 0.000 0.414 148 N N 1.209 119.941 118.700 0.054 0.000 2.004 148 N HA -0.168 4.572 4.740 -0.001 0.000 0.196 148 N C 2.110 177.690 175.510 0.117 0.000 1.064 148 N CA 2.007 55.101 53.050 0.072 0.000 0.855 148 N CB -0.666 37.851 38.487 0.050 0.000 1.056 148 N HN 0.185 nan 8.380 nan 0.000 0.423 149 S N 0.001 115.771 115.700 0.118 0.000 2.389 149 S HA -0.219 4.250 4.470 -0.001 0.000 0.231 149 S C 1.646 176.336 174.600 0.150 0.000 1.052 149 S CA 1.460 59.726 58.200 0.111 0.000 1.053 149 S CB -0.566 62.700 63.200 0.110 0.000 0.886 149 S HN 0.573 nan 8.310 nan 0.000 0.456 150 W N 1.726 123.073 121.300 0.078 0.000 2.338 150 W HA -0.159 4.501 4.660 -0.001 0.000 0.304 150 W C 2.187 178.761 176.519 0.092 0.000 1.212 150 W CA 1.164 58.579 57.345 0.116 0.000 1.264 150 W CB -0.778 28.826 29.460 0.239 0.000 1.142 150 W HN 0.055 nan 8.180 nan 0.000 0.512 151 V N 1.145 121.138 119.914 0.132 0.000 2.287 151 V HA -0.323 3.797 4.120 -0.001 0.000 0.248 151 V C 2.195 178.179 176.094 -0.183 0.000 1.053 151 V CA 2.692 64.931 62.300 -0.101 0.000 1.027 151 V CB -0.597 31.289 31.823 0.105 0.000 0.646 151 V HN 0.267 nan 8.190 nan 0.000 0.447 152 E N 0.364 120.516 120.200 -0.079 0.000 2.005 152 E HA -0.239 4.110 4.350 -0.001 0.000 0.198 152 E C 2.309 178.828 176.600 -0.135 0.000 1.010 152 E CA 2.013 58.368 56.400 -0.074 0.000 0.825 152 E CB -0.440 29.242 29.700 -0.030 0.000 0.769 152 E HN 0.758 nan 8.360 nan 0.000 0.456 153 S N 0.680 116.295 115.700 -0.141 0.000 2.420 153 S HA -0.217 4.252 4.470 -0.001 0.000 0.237 153 S C 1.849 176.307 174.600 -0.238 0.000 1.023 153 S CA 1.011 59.118 58.200 -0.154 0.000 0.991 153 S CB -0.137 62.998 63.200 -0.109 0.000 0.792 153 S HN 0.134 nan 8.310 nan 0.000 0.488 154 Q N 1.202 120.759 119.800 -0.406 0.000 2.432 154 Q HA 0.055 4.395 4.340 -0.001 0.000 0.205 154 Q C 1.013 176.854 176.000 -0.266 0.000 0.945 154 Q CA 1.362 56.880 55.803 -0.476 0.000 0.924 154 Q CB 0.172 28.287 28.738 -1.038 0.000 1.016 154 Q HN 0.909 nan 8.270 nan 0.000 0.503 155 T N -2.883 111.551 114.554 -0.201 0.000 3.448 155 T HA 0.234 4.583 4.350 -0.001 0.000 0.271 155 T C 0.181 174.772 174.700 -0.182 0.000 1.002 155 T CA -0.518 61.513 62.100 -0.115 0.000 0.995 155 T CB 0.034 68.888 68.868 -0.023 0.000 1.153 155 T HN -0.008 nan 8.240 nan 0.000 0.510 156 N N 2.542 121.136 118.700 -0.176 0.000 2.678 156 N HA -0.208 4.531 4.740 -0.001 0.000 0.250 156 N C 0.328 175.733 175.510 -0.175 0.000 1.136 156 N CA 1.636 54.571 53.050 -0.191 0.000 0.757 156 N CB -0.990 37.335 38.487 -0.271 0.000 1.135 156 N HN 0.948 nan 8.380 nan 0.000 0.565 157 E N -2.453 117.666 120.200 -0.135 0.000 2.759 157 E HA -0.280 4.069 4.350 -0.001 0.000 0.280 157 E C 0.531 177.091 176.600 -0.066 0.000 1.009 157 E CA 0.924 57.273 56.400 -0.085 0.000 0.849 157 E CB -0.221 29.437 29.700 -0.070 0.000 1.415 157 E HN 0.262 nan 8.360 nan 0.000 0.412 158 K N -0.391 119.956 120.400 -0.089 0.000 2.108 158 K HA 0.194 4.513 4.320 -0.001 0.000 0.204 158 K C 1.093 177.827 176.600 0.224 0.000 1.036 158 K CA 0.640 56.933 56.287 0.010 0.000 0.965 158 K CB 0.110 32.452 32.500 -0.264 0.000 0.804 158 K HN 0.228 nan 8.250 nan 0.000 0.454 159 I N 3.836 124.520 120.570 0.190 0.000 2.322 159 I HA 0.003 4.172 4.170 -0.001 0.000 0.292 159 I C -0.112 176.045 176.117 0.066 0.000 1.060 159 I CA -0.062 61.338 61.300 0.167 0.000 1.309 159 I CB 0.430 38.530 38.000 0.167 0.000 1.415 159 I HN -0.073 nan 8.210 nan 0.000 0.492 160 K N 5.761 126.186 120.400 0.042 0.000 2.259 160 K HA 0.448 4.767 4.320 -0.001 0.000 0.252 160 K C -0.305 176.302 176.600 0.011 0.000 0.936 160 K CA -0.870 55.431 56.287 0.022 0.000 0.810 160 K CB 1.342 33.852 32.500 0.018 0.000 1.143 160 K HN 0.592 nan 8.250 nan 0.000 0.427 161 N N 1.699 120.409 118.700 0.017 0.000 2.756 161 N HA -0.180 4.559 4.740 -0.001 0.000 0.248 161 N C 0.639 176.154 175.510 0.008 0.000 1.062 161 N CA 0.023 53.081 53.050 0.013 0.000 0.696 161 N CB -0.775 37.716 38.487 0.005 0.000 0.946 161 N HN 0.560 nan 8.380 nan 0.000 0.548 162 L N -0.198 121.035 121.223 0.018 0.000 2.357 162 L HA -0.051 4.288 4.340 -0.001 0.000 0.220 162 L C 0.331 177.207 176.870 0.010 0.000 1.123 162 L CA 1.726 56.576 54.840 0.017 0.000 0.782 162 L CB 0.053 42.134 42.059 0.038 0.000 0.910 162 L HN 0.324 nan 8.230 nan 0.000 0.442 163 I N 0.398 120.973 120.570 0.007 0.000 2.478 163 I HA 0.303 4.472 4.170 -0.001 0.000 0.287 163 I C -2.366 173.757 176.117 0.009 0.000 1.042 163 I CA -1.797 59.507 61.300 0.007 0.000 1.067 163 I CB 2.109 40.111 38.000 0.003 0.000 1.233 163 I HN -0.136 nan 8.210 nan 0.000 0.431 164 P HA 0.264 nan 4.420 nan 0.000 0.281 164 P C -0.728 176.579 177.300 0.012 0.000 1.264 164 P CA -0.575 62.530 63.100 0.008 0.000 0.824 164 P CB 0.709 32.411 31.700 0.003 0.000 1.092 165 E N -0.098 120.109 120.200 0.013 0.000 2.459 165 E HA 0.121 4.471 4.350 -0.001 0.000 0.264 165 E C 1.248 177.856 176.600 0.014 0.000 1.055 165 E CA 1.055 57.465 56.400 0.016 0.000 0.957 165 E CB -0.400 29.309 29.700 0.015 0.000 0.952 165 E HN 0.815 nan 8.360 nan 0.000 0.448 166 G N 2.789 111.599 108.800 0.017 0.000 2.412 166 G HA2 -0.469 3.490 3.960 -0.001 0.000 0.252 166 G HA3 -0.469 3.490 3.960 -0.001 0.000 0.252 166 G C 0.982 175.886 174.900 0.007 0.000 1.038 166 G CA 0.784 45.892 45.100 0.013 0.000 0.628 166 G HN 0.733 nan 8.290 nan 0.000 0.531 167 N N -0.257 118.448 118.700 0.007 0.000 2.018 167 N HA -0.102 4.637 4.740 -0.001 0.000 0.196 167 N C 0.640 176.145 175.510 -0.009 0.000 1.043 167 N CA 1.213 54.263 53.050 0.001 0.000 0.856 167 N CB -0.086 38.404 38.487 0.005 0.000 1.042 167 N HN 0.365 nan 8.380 nan 0.000 0.423 168 I N 1.114 121.683 120.570 -0.002 0.000 2.428 168 I HA 0.147 4.317 4.170 -0.001 0.000 0.289 168 I C 0.862 176.971 176.117 -0.012 0.000 1.019 168 I CA 0.235 61.522 61.300 -0.023 0.000 1.351 168 I CB 0.814 38.829 38.000 0.026 0.000 1.412 168 I HN 0.028 nan 8.210 nan 0.000 0.513 169 G N 3.279 112.048 108.800 -0.052 0.000 2.537 169 G HA2 0.402 4.362 3.960 -0.001 0.000 0.323 169 G HA3 0.402 4.362 3.960 -0.001 0.000 0.323 169 G C 0.611 175.511 174.900 0.001 0.000 1.207 169 G CA -0.328 44.760 45.100 -0.020 0.000 0.976 169 G HN 0.607 nan 8.290 nan 0.000 0.487 170 S N -0.070 115.650 115.700 0.033 0.000 2.469 170 S HA -0.104 4.365 4.470 -0.001 0.000 0.238 170 S C 1.135 175.770 174.600 0.058 0.000 0.998 170 S CA 0.725 58.964 58.200 0.066 0.000 0.957 170 S CB -0.027 63.207 63.200 0.056 0.000 0.764 170 S HN 0.428 nan 8.310 nan 0.000 0.514 171 N N 1.834 120.541 118.700 0.011 0.000 2.546 171 N HA 0.221 4.960 4.740 -0.001 0.000 0.286 171 N C -1.185 174.290 175.510 -0.058 0.000 1.259 171 N CA 0.039 53.091 53.050 0.003 0.000 0.939 171 N CB 0.473 38.961 38.487 0.002 0.000 1.243 171 N HN 0.243 nan 8.380 nan 0.000 0.511 172 T N -1.158 113.311 114.554 -0.142 0.000 2.767 172 T HA 0.258 4.607 4.350 -0.001 0.000 0.284 172 T C 1.356 175.866 174.700 -0.317 0.000 0.973 172 T CA -0.542 61.331 62.100 -0.379 0.000 0.996 172 T CB 1.676 70.029 68.868 -0.860 0.000 0.927 172 T HN 0.203 nan 8.240 nan 0.000 0.456 173 T N 1.862 116.286 114.554 -0.216 0.000 2.914 173 T HA 0.237 4.586 4.350 -0.001 0.000 0.240 173 T C 0.437 175.107 174.700 -0.050 0.000 1.025 173 T CA 0.001 62.024 62.100 -0.128 0.000 1.198 173 T CB -0.004 68.708 68.868 -0.259 0.000 0.892 173 T HN 0.221 nan 8.240 nan 0.000 0.417 174 L N 0.599 121.757 121.223 -0.108 0.000 2.286 174 L HA 0.777 5.116 4.340 -0.001 0.000 0.265 174 L C -1.355 175.516 176.870 0.001 0.000 1.012 174 L CA -1.619 53.242 54.840 0.034 0.000 0.818 174 L CB 2.209 44.257 42.059 -0.019 0.000 1.337 174 L HN 0.172 nan 8.230 nan 0.000 0.438 175 V N 3.477 123.471 119.914 0.134 0.000 2.735 175 V HA 0.205 4.324 4.120 -0.001 0.000 0.276 175 V C -1.088 175.106 176.094 0.167 0.000 1.083 175 V CA -0.673 61.696 62.300 0.115 0.000 0.923 175 V CB 1.680 33.572 31.823 0.115 0.000 1.053 175 V HN 0.522 nan 8.190 nan 0.000 0.471 176 L N 6.290 127.590 121.223 0.129 0.000 2.313 176 L HA 0.623 4.962 4.340 -0.001 0.000 0.282 176 L C -0.222 176.735 176.870 0.145 0.000 1.092 176 L CA 0.263 55.185 54.840 0.136 0.000 0.831 176 L CB 1.408 43.533 42.059 0.109 0.000 1.159 176 L HN 0.421 nan 8.230 nan 0.000 0.442 177 V N 5.760 125.771 119.914 0.161 0.000 2.472 177 V HA 0.477 4.596 4.120 -0.001 0.000 0.290 177 V C -0.055 176.175 176.094 0.227 0.000 1.037 177 V CA -0.599 61.800 62.300 0.165 0.000 0.908 177 V CB 1.688 33.592 31.823 0.134 0.000 0.985 177 V HN 0.861 nan 8.190 nan 0.000 0.454 178 N N 3.320 122.152 118.700 0.220 0.000 2.697 178 N HA 0.440 5.179 4.740 -0.001 0.000 0.253 178 N C -0.436 175.138 175.510 0.107 0.000 1.604 178 N CA -0.089 53.099 53.050 0.231 0.000 0.772 178 N CB 1.152 39.839 38.487 0.333 0.000 1.267 178 N HN 0.776 nan 8.380 nan 0.000 0.510 179 A N 1.119 124.016 122.820 0.128 0.000 2.286 179 A HA 0.794 5.113 4.320 -0.001 0.000 0.286 179 A C -0.206 177.438 177.584 0.100 0.000 1.097 179 A CA -0.405 51.668 52.037 0.062 0.000 0.821 179 A CB 0.513 19.571 19.000 0.097 0.000 1.076 179 A HN 0.548 nan 8.150 nan 0.000 0.490 180 I N 0.109 120.760 120.570 0.135 0.000 2.731 180 I HA 0.477 4.646 4.170 -0.001 0.000 0.289 180 I C -2.048 174.309 176.117 0.399 0.000 1.399 180 I CA -0.440 61.013 61.300 0.255 0.000 1.048 180 I CB 1.622 39.756 38.000 0.224 0.000 1.345 180 I HN 0.785 nan 8.210 nan 0.000 0.425 181 Y N 7.973 128.449 120.300 0.293 0.000 2.462 181 Y HA 0.765 5.314 4.550 -0.001 0.000 0.346 181 Y C -2.056 174.023 175.900 0.298 0.000 0.976 181 Y CA -0.873 57.373 58.100 0.242 0.000 1.044 181 Y CB 1.763 40.277 38.460 0.089 0.000 1.230 181 Y HN 0.532 nan 8.280 nan 0.000 0.455 182 F N 5.631 124.930 119.950 -1.083 0.000 2.628 182 F HA 0.539 5.065 4.527 -0.001 0.000 0.309 182 F C -1.904 173.330 175.800 -0.942 0.000 1.108 182 F CA -0.792 56.757 58.000 -0.750 0.000 0.971 182 F CB 1.655 40.408 39.000 -0.411 0.000 1.279 182 F HN 0.501 nan 8.300 nan 0.000 0.441 183 K N 4.343 123.951 120.400 -1.319 0.000 2.729 183 K HA 0.557 4.876 4.320 -0.001 0.000 0.269 183 K C -0.921 175.090 176.600 -0.981 0.000 1.065 183 K CA -0.463 55.289 56.287 -0.892 0.000 1.000 183 K CB 1.112 33.349 32.500 -0.438 0.000 1.283 183 K HN 0.907 nan 8.250 nan 0.000 0.491 184 G N 1.875 110.107 108.800 -0.947 0.000 2.477 184 G HA2 0.281 4.240 3.960 -0.001 0.000 0.304 184 G HA3 0.281 4.240 3.960 -0.001 0.000 0.304 184 G C -0.858 173.898 174.900 -0.241 0.000 1.175 184 G CA -0.435 44.353 45.100 -0.521 0.000 0.907 184 G HN 0.501 nan 8.290 nan 0.000 0.509 185 Q N 0.057 119.816 119.800 -0.069 0.000 2.347 185 Q HA 0.131 4.470 4.340 -0.001 0.000 0.262 185 Q C -0.877 175.096 176.000 -0.044 0.000 0.980 185 Q CA -0.343 55.387 55.803 -0.122 0.000 0.867 185 Q CB 2.004 30.722 28.738 -0.033 0.000 1.242 185 Q HN 0.594 nan 8.270 nan 0.000 0.453 186 W N 2.008 123.320 121.300 0.020 0.000 2.295 186 W HA -0.083 4.577 4.660 -0.001 0.000 0.335 186 W C 1.642 178.194 176.519 0.056 0.000 1.351 186 W CA -0.099 57.227 57.345 -0.032 0.000 1.273 186 W CB 0.437 29.925 29.460 0.047 0.000 1.214 186 W HN 0.749 nan 8.180 nan 0.000 0.563 187 E N 2.654 123.076 120.200 0.371 0.000 2.033 187 E HA -0.213 4.136 4.350 -0.001 0.000 0.199 187 E C 0.199 176.915 176.600 0.194 0.000 1.011 187 E CA 1.465 58.009 56.400 0.240 0.000 0.815 187 E CB 0.067 29.899 29.700 0.220 0.000 0.755 187 E HN 0.287 nan 8.360 nan 0.000 0.451 188 K N 1.624 122.143 120.400 0.198 0.000 2.231 188 K HA 0.108 4.427 4.320 -0.001 0.000 0.275 188 K C -0.332 176.356 176.600 0.148 0.000 1.105 188 K CA -0.412 55.922 56.287 0.078 0.000 0.931 188 K CB 1.026 33.489 32.500 -0.062 0.000 1.296 188 K HN 0.026 nan 8.250 nan 0.000 0.446 189 K N 1.878 122.371 120.400 0.155 0.000 2.323 189 K HA -0.023 4.297 4.320 -0.001 0.000 0.259 189 K C -0.699 176.006 176.600 0.175 0.000 0.993 189 K CA 0.747 57.172 56.287 0.231 0.000 0.866 189 K CB 0.313 32.893 32.500 0.133 0.000 0.997 189 K HN 0.247 nan 8.250 nan 0.000 0.524 190 F N 1.079 121.056 119.950 0.046 0.000 2.493 190 F HA 0.202 4.728 4.527 -0.001 0.000 0.329 190 F C 0.265 176.066 175.800 0.001 0.000 1.126 190 F CA -0.648 57.349 58.000 -0.005 0.000 0.937 190 F CB 1.337 40.326 39.000 -0.017 0.000 1.146 190 F HN 0.509 nan 8.300 nan 0.000 0.442 191 N N 3.269 122.011 118.700 0.070 0.000 2.416 191 N HA 0.030 4.770 4.740 -0.001 0.000 0.271 191 N C 0.795 176.353 175.510 0.079 0.000 1.245 191 N CA -0.029 53.051 53.050 0.050 0.000 0.940 191 N CB 0.548 39.034 38.487 -0.003 0.000 1.175 191 N HN 0.518 nan 8.380 nan 0.000 0.483 192 K N 1.663 122.108 120.400 0.075 0.000 2.442 192 K HA -0.211 4.108 4.320 -0.001 0.000 0.200 192 K C 1.173 177.800 176.600 0.046 0.000 1.045 192 K CA 0.844 57.169 56.287 0.062 0.000 0.937 192 K CB 0.175 32.701 32.500 0.045 0.000 0.757 192 K HN 0.572 nan 8.250 nan 0.000 0.474 193 E N 1.566 121.789 120.200 0.037 0.000 2.190 193 E HA -0.095 4.254 4.350 -0.001 0.000 0.191 193 E C 0.105 176.725 176.600 0.032 0.000 0.978 193 E CA 0.656 57.073 56.400 0.028 0.000 0.839 193 E CB 0.250 29.960 29.700 0.017 0.000 0.787 193 E HN 0.326 nan 8.360 nan 0.000 0.473 194 D N 1.214 121.635 120.400 0.035 0.000 2.870 194 D HA 0.075 4.714 4.640 -0.001 0.000 0.241 194 D C -0.678 175.656 176.300 0.057 0.000 1.234 194 D CA 0.259 54.280 54.000 0.034 0.000 0.844 194 D CB 0.385 41.191 40.800 0.009 0.000 1.051 194 D HN -0.119 nan 8.370 nan 0.000 0.469 195 T N -0.015 114.575 114.554 0.059 0.000 2.949 195 T HA 0.459 4.808 4.350 -0.001 0.000 0.300 195 T C 0.014 174.749 174.700 0.057 0.000 0.988 195 T CA -0.719 61.421 62.100 0.065 0.000 0.993 195 T CB 2.185 71.091 68.868 0.063 0.000 0.984 195 T HN -0.163 nan 8.240 nan 0.000 0.442 196 K N 1.121 121.561 120.400 0.066 0.000 2.399 196 K HA 0.577 4.896 4.320 -0.001 0.000 0.260 196 K C -0.339 176.304 176.600 0.072 0.000 1.049 196 K CA -1.025 55.300 56.287 0.063 0.000 0.890 196 K CB 1.740 34.279 32.500 0.064 0.000 1.430 196 K HN 0.575 nan 8.250 nan 0.000 0.459 197 E N 0.778 121.018 120.200 0.068 0.000 2.438 197 E HA 0.043 4.392 4.350 -0.001 0.000 0.261 197 E C -0.738 175.919 176.600 0.094 0.000 1.103 197 E CA 0.675 57.120 56.400 0.075 0.000 0.959 197 E CB 0.576 30.316 29.700 0.068 0.000 0.958 197 E HN 0.382 nan 8.360 nan 0.000 0.447 198 E N 0.614 120.878 120.200 0.106 0.000 2.415 198 E HA 0.343 4.692 4.350 -0.001 0.000 0.271 198 E C -1.717 174.964 176.600 0.135 0.000 1.094 198 E CA -0.708 55.766 56.400 0.122 0.000 0.881 198 E CB 0.983 30.763 29.700 0.133 0.000 1.581 198 E HN 0.309 nan 8.360 nan 0.000 0.460 199 K N 1.202 121.669 120.400 0.110 0.000 2.358 199 K HA 0.421 4.740 4.320 -0.001 0.000 0.260 199 K C -1.259 175.322 176.600 -0.031 0.000 0.956 199 K CA -0.618 55.696 56.287 0.046 0.000 0.834 199 K CB 1.265 33.640 32.500 -0.207 0.000 1.102 199 K HN 0.351 nan 8.250 nan 0.000 0.431 200 F N 2.540 122.419 119.950 -0.118 0.000 2.427 200 F HA 0.354 4.880 4.527 -0.001 0.000 0.346 200 F C -1.110 174.621 175.800 -0.115 0.000 1.120 200 F CA -0.747 57.239 58.000 -0.023 0.000 1.033 200 F CB 0.803 39.871 39.000 0.113 0.000 1.126 200 F HN 0.484 nan 8.300 nan 0.000 0.462 201 W N 8.783 129.955 121.300 -0.214 0.000 2.288 201 W HA 0.370 5.030 4.660 -0.001 0.000 0.325 201 W C -2.048 174.476 176.519 0.008 0.000 1.019 201 W CA -1.668 55.675 57.345 -0.004 0.000 1.403 201 W CB 0.659 30.102 29.460 -0.027 0.000 1.226 201 W HN 0.440 nan 8.180 nan 0.000 0.391 202 P HA -0.167 nan 4.420 nan 0.000 0.214 202 P C 0.047 177.508 177.300 0.267 0.000 1.162 202 P CA 1.727 65.050 63.100 0.373 0.000 0.874 202 P CB 0.319 32.178 31.700 0.266 0.000 0.784 203 N N -1.937 116.920 118.700 0.262 0.000 3.100 203 N HA 0.224 4.964 4.740 -0.001 0.000 0.344 203 N C 0.428 176.076 175.510 0.229 0.000 1.413 203 N CA -0.732 52.432 53.050 0.190 0.000 0.752 203 N CB 0.379 38.955 38.487 0.149 0.000 1.519 203 N HN -0.277 nan 8.380 nan 0.000 0.620 204 K N -1.070 119.400 120.400 0.116 0.000 2.323 204 K HA 0.192 4.511 4.320 -0.001 0.000 0.197 204 K C 0.255 176.917 176.600 0.103 0.000 1.043 204 K CA 0.359 56.657 56.287 0.019 0.000 0.997 204 K CB 0.008 32.456 32.500 -0.087 0.000 0.807 204 K HN 0.486 nan 8.250 nan 0.000 0.497 205 N N 0.215 119.020 118.700 0.175 0.000 2.280 205 N HA -0.004 4.736 4.740 -0.001 0.000 0.192 205 N C -0.101 175.598 175.510 0.314 0.000 1.109 205 N CA 0.357 53.527 53.050 0.200 0.000 0.855 205 N CB 0.851 39.410 38.487 0.121 0.000 0.974 205 N HN -0.106 nan 8.380 nan 0.000 0.482 206 T N 0.324 115.121 114.554 0.405 0.000 2.883 206 T HA 0.510 4.859 4.350 -0.001 0.000 0.301 206 T C -1.257 173.679 174.700 0.393 0.000 1.158 206 T CA -0.733 61.580 62.100 0.356 0.000 1.007 206 T CB 2.071 71.048 68.868 0.182 0.000 1.186 206 T HN 0.267 nan 8.240 nan 0.000 0.499 207 Y N -0.746 119.502 120.300 -0.086 0.000 2.581 207 Y HA 0.793 5.342 4.550 -0.001 0.000 0.337 207 Y C -1.788 173.994 175.900 -0.197 0.000 1.108 207 Y CA -1.315 56.566 58.100 -0.366 0.000 1.033 207 Y CB 1.578 39.266 38.460 -1.287 0.000 1.318 207 Y HN 0.307 nan 8.280 nan 0.000 0.459 208 K N 2.180 122.402 120.400 -0.297 0.000 2.378 208 K HA 0.400 4.720 4.320 -0.001 0.000 0.252 208 K C -0.938 175.594 176.600 -0.114 0.000 0.931 208 K CA -0.769 55.338 56.287 -0.300 0.000 0.794 208 K CB 2.174 34.606 32.500 -0.112 0.000 1.181 208 K HN 0.911 nan 8.250 nan 0.000 0.425 209 S N 2.761 118.377 115.700 -0.140 0.000 2.549 209 S HA 0.499 4.968 4.470 -0.001 0.000 0.283 209 S C 0.525 175.150 174.600 0.042 0.000 1.320 209 S CA -0.542 57.663 58.200 0.007 0.000 1.058 209 S CB -0.359 62.840 63.200 -0.002 0.000 0.882 209 S HN 0.581 nan 8.310 nan 0.000 0.498 210 I N -1.107 119.517 120.570 0.090 0.000 3.102 210 I HA 0.475 4.644 4.170 -0.001 0.000 0.310 210 I C -1.330 174.840 176.117 0.088 0.000 1.246 210 I CA -1.302 60.051 61.300 0.089 0.000 0.979 210 I CB 2.053 40.125 38.000 0.120 0.000 1.267 210 I HN 0.334 nan 8.210 nan 0.000 0.451 211 Q N 3.893 123.735 119.800 0.069 0.000 2.406 211 Q HA 0.404 4.743 4.340 -0.001 0.000 0.242 211 Q C -0.765 175.269 176.000 0.057 0.000 1.036 211 Q CA -0.274 55.564 55.803 0.059 0.000 0.904 211 Q CB 1.112 29.874 28.738 0.040 0.000 1.244 211 Q HN 0.772 nan 8.270 nan 0.000 0.478 212 M N 3.365 123.011 119.600 0.078 0.000 2.144 212 M HA 0.341 4.820 4.480 -0.001 0.000 0.356 212 M C -0.753 175.589 176.300 0.070 0.000 1.217 212 M CA 0.140 55.487 55.300 0.077 0.000 1.087 212 M CB 0.696 33.366 32.600 0.116 0.000 1.609 212 M HN 0.496 nan 8.290 nan 0.000 0.467 213 M N 4.495 124.120 119.600 0.041 0.000 2.249 213 M HA 0.421 4.900 4.480 -0.001 0.000 0.351 213 M C -0.530 175.863 176.300 0.155 0.000 1.180 213 M CA -0.158 55.212 55.300 0.116 0.000 1.127 213 M CB 0.989 33.592 32.600 0.005 0.000 1.546 213 M HN 0.572 nan 8.290 nan 0.000 0.461 214 R N 1.842 122.406 120.500 0.107 0.000 2.534 214 R HA 0.459 4.798 4.340 -0.001 0.000 0.301 214 R C -1.078 175.093 176.300 -0.214 0.000 0.961 214 R CA -0.621 55.386 56.100 -0.156 0.000 0.871 214 R CB 1.905 32.054 30.300 -0.251 0.000 1.170 214 R HN 0.617 nan 8.270 nan 0.000 0.446 215 Q N 2.852 122.469 119.800 -0.304 0.000 2.269 215 Q HA 0.267 4.606 4.340 -0.001 0.000 0.263 215 Q C -1.815 174.084 176.000 -0.169 0.000 0.983 215 Q CA -0.713 54.837 55.803 -0.422 0.000 0.777 215 Q CB 1.480 29.611 28.738 -1.012 0.000 1.273 215 Q HN 0.783 nan 8.270 nan 0.000 0.440 216 Y N 3.533 123.699 120.300 -0.223 0.000 2.335 216 Y HA 0.639 5.188 4.550 -0.001 0.000 0.339 216 Y C -0.369 175.403 175.900 -0.215 0.000 0.987 216 Y CA 0.160 58.170 58.100 -0.149 0.000 1.140 216 Y CB 1.729 40.121 38.460 -0.113 0.000 1.173 216 Y HN 0.821 nan 8.280 nan 0.000 0.486 217 T N 2.208 116.806 114.554 0.073 0.000 2.632 217 T HA 0.252 4.602 4.350 -0.001 0.000 0.290 217 T C -1.635 172.889 174.700 -0.293 0.000 1.899 217 T CA -0.759 61.256 62.100 -0.141 0.000 0.946 217 T CB 0.142 68.755 68.868 -0.426 0.000 2.024 217 T HN 0.482 nan 8.240 nan 0.000 0.471 218 S N 1.246 116.727 115.700 -0.366 0.000 2.475 218 S HA 0.799 5.268 4.470 -0.001 0.000 0.281 218 S C -1.120 173.208 174.600 -0.455 0.000 1.198 218 S CA -0.534 57.494 58.200 -0.287 0.000 1.063 218 S CB 0.299 63.396 63.200 -0.172 0.000 0.972 218 S HN 0.466 nan 8.310 nan 0.000 0.486 219 F N 0.104 120.025 119.950 -0.049 0.000 2.691 219 F HA 0.387 4.913 4.527 -0.001 0.000 0.334 219 F C 0.291 176.096 175.800 0.009 0.000 1.107 219 F CA -1.354 56.633 58.000 -0.021 0.000 0.991 219 F CB 1.181 40.157 39.000 -0.041 0.000 1.400 219 F HN 0.586 nan 8.300 nan 0.000 0.503 220 H N 0.740 119.980 119.070 0.282 0.000 2.821 220 H HA 0.251 4.806 4.556 -0.001 0.000 0.262 220 H C -0.639 174.791 175.328 0.169 0.000 1.402 220 H CA -0.264 55.891 56.048 0.179 0.000 1.293 220 H CB 0.119 29.952 29.762 0.118 0.000 1.533 220 H HN 0.352 nan 8.280 nan 0.000 0.528 221 F N 2.586 122.623 119.950 0.146 0.000 2.375 221 F HA 0.605 5.131 4.527 -0.001 0.000 0.313 221 F C -0.397 175.486 175.800 0.138 0.000 1.176 221 F CA -0.352 57.722 58.000 0.123 0.000 1.142 221 F CB 0.798 39.864 39.000 0.110 0.000 1.275 221 F HN 0.446 nan 8.300 nan 0.000 0.544 222 A N 2.594 124.898 122.820 -0.860 0.000 2.511 222 A HA 0.462 4.781 4.320 -0.001 0.000 0.292 222 A C -1.066 176.072 177.584 -0.743 0.000 1.045 222 A CA -0.249 51.515 52.037 -0.456 0.000 0.870 222 A CB 0.196 19.098 19.000 -0.163 0.000 1.361 222 A HN 1.001 nan 8.150 nan 0.000 0.396 223 S N 2.974 118.513 115.700 -0.268 0.000 2.537 223 S HA 0.657 5.126 4.470 -0.001 0.000 0.275 223 S C -0.338 174.182 174.600 -0.134 0.000 1.272 223 S CA -0.493 57.654 58.200 -0.089 0.000 1.050 223 S CB 0.782 64.115 63.200 0.220 0.000 0.961 223 S HN 0.734 nan 8.310 nan 0.000 0.496 224 L N 3.926 125.056 121.223 -0.154 0.000 2.297 224 L HA 0.341 4.680 4.340 -0.001 0.000 0.277 224 L C 1.172 177.928 176.870 -0.190 0.000 1.040 224 L CA -0.220 54.464 54.840 -0.259 0.000 0.867 224 L CB 0.290 42.160 42.059 -0.315 0.000 1.244 224 L HN 1.026 nan 8.230 nan 0.000 0.433 225 E N 1.312 121.406 120.200 -0.176 0.000 2.001 225 E HA -0.205 4.144 4.350 -0.001 0.000 0.195 225 E C 0.926 177.459 176.600 -0.112 0.000 1.002 225 E CA 1.283 57.618 56.400 -0.109 0.000 0.819 225 E CB 0.022 29.670 29.700 -0.087 0.000 0.769 225 E HN 0.425 nan 8.360 nan 0.000 0.454 226 D N 0.181 120.489 120.400 -0.154 0.000 2.268 226 D HA -0.207 4.432 4.640 -0.001 0.000 0.189 226 D C 1.882 178.158 176.300 -0.039 0.000 1.010 226 D CA 1.799 55.742 54.000 -0.095 0.000 0.862 226 D CB -0.442 40.282 40.800 -0.127 0.000 0.943 226 D HN 0.134 nan 8.370 nan 0.000 0.451 227 V N -0.378 119.489 119.914 -0.079 0.000 3.649 227 V HA -0.010 4.110 4.120 -0.001 0.000 0.275 227 V C -0.310 175.803 176.094 0.032 0.000 1.281 227 V CA 0.459 62.785 62.300 0.043 0.000 1.143 227 V CB -0.485 31.438 31.823 0.166 0.000 0.892 227 V HN 0.334 nan 8.190 nan 0.000 0.441 228 Q N 0.077 119.868 119.800 -0.015 0.000 2.457 228 Q HA -0.156 4.183 4.340 -0.001 0.000 0.333 228 Q C -0.252 175.762 176.000 0.023 0.000 1.448 228 Q CA 0.735 56.538 55.803 -0.000 0.000 0.891 228 Q CB -1.511 27.234 28.738 0.012 0.000 1.142 228 Q HN 0.814 nan 8.270 nan 0.000 0.375 229 A N -0.012 122.812 122.820 0.007 0.000 2.599 229 A HA 0.819 5.139 4.320 -0.001 0.000 0.290 229 A C -1.269 176.311 177.584 -0.007 0.000 1.101 229 A CA -1.065 50.993 52.037 0.035 0.000 0.674 229 A CB 1.421 20.490 19.000 0.115 0.000 1.277 229 A HN 0.043 nan 8.150 nan 0.000 0.419 230 K N 0.110 120.502 120.400 -0.013 0.000 2.267 230 K HA 0.690 5.009 4.320 -0.001 0.000 0.246 230 K C -1.465 175.244 176.600 0.180 0.000 0.954 230 K CA -0.700 55.565 56.287 -0.037 0.000 0.824 230 K CB 2.337 34.778 32.500 -0.098 0.000 1.167 230 K HN 0.399 nan 8.250 nan 0.000 0.431 231 V N 3.232 123.152 119.914 0.011 0.000 2.380 231 V HA 0.236 4.355 4.120 -0.001 0.000 0.286 231 V C -0.844 175.151 176.094 -0.165 0.000 1.015 231 V CA -0.825 61.502 62.300 0.045 0.000 0.834 231 V CB 1.232 33.072 31.823 0.028 0.000 1.009 231 V HN 0.541 nan 8.190 nan 0.000 0.428 232 L N 4.632 125.622 121.223 -0.390 0.000 2.334 232 L HA 0.779 5.118 4.340 -0.001 0.000 0.272 232 L C -0.128 176.465 176.870 -0.461 0.000 1.020 232 L CA -0.226 54.251 54.840 -0.604 0.000 0.812 232 L CB 2.007 43.226 42.059 -1.400 0.000 1.264 232 L HN 0.831 nan 8.230 nan 0.000 0.439 233 E N 3.609 123.613 120.200 -0.327 0.000 2.182 233 E HA 0.525 4.875 4.350 -0.001 0.000 0.258 233 E C -1.642 174.767 176.600 -0.318 0.000 0.879 233 E CA -0.297 55.961 56.400 -0.238 0.000 0.754 233 E CB 0.925 30.593 29.700 -0.054 0.000 1.162 233 E HN 0.459 nan 8.360 nan 0.000 0.419 234 I N 6.373 126.701 120.570 -0.403 0.000 2.337 234 I HA 0.336 4.505 4.170 -0.001 0.000 0.285 234 I C -2.070 174.053 176.117 0.010 0.000 1.041 234 I CA -2.311 58.719 61.300 -0.449 0.000 1.199 234 I CB 0.966 38.420 38.000 -0.909 0.000 1.370 234 I HN 0.494 nan 8.210 nan 0.000 0.470 235 P HA 0.134 nan 4.420 nan 0.000 0.274 235 P C -1.030 176.452 177.300 0.304 0.000 1.246 235 P CA -0.036 63.218 63.100 0.256 0.000 0.795 235 P CB 0.721 32.566 31.700 0.241 0.000 1.006 236 Y N -0.823 119.649 120.300 0.288 0.000 2.519 236 Y HA 0.270 4.819 4.550 -0.001 0.000 0.324 236 Y C 1.438 177.450 175.900 0.186 0.000 1.214 236 Y CA -0.629 57.594 58.100 0.205 0.000 1.260 236 Y CB 0.921 39.436 38.460 0.092 0.000 1.311 236 Y HN 0.209 nan 8.280 nan 0.000 0.505 237 K N 1.168 121.755 120.400 0.311 0.000 2.402 237 K HA 0.162 4.481 4.320 -0.001 0.000 0.279 237 K C 0.488 177.202 176.600 0.190 0.000 1.082 237 K CA 1.374 57.784 56.287 0.205 0.000 1.080 237 K CB -0.667 31.918 32.500 0.141 0.000 0.899 237 K HN 1.020 nan 8.250 nan 0.000 0.469 238 G N 3.615 112.513 108.800 0.164 0.000 2.699 238 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.198 238 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.198 238 G C -0.449 174.537 174.900 0.143 0.000 1.033 238 G CA -0.080 45.105 45.100 0.142 0.000 0.728 238 G HN 0.615 nan 8.290 nan 0.000 0.484 239 K N 0.465 120.969 120.400 0.173 0.000 3.510 239 K HA -0.146 4.173 4.320 -0.001 0.000 0.275 239 K C -0.129 176.552 176.600 0.136 0.000 1.094 239 K CA 1.193 57.574 56.287 0.155 0.000 0.822 239 K CB -1.358 31.219 32.500 0.129 0.000 1.351 239 K HN 0.792 nan 8.250 nan 0.000 0.458 240 D N -1.037 119.450 120.400 0.146 0.000 2.520 240 D HA 0.102 4.741 4.640 -0.001 0.000 0.386 240 D C -0.107 176.247 176.300 0.090 0.000 1.267 240 D CA -0.362 53.710 54.000 0.120 0.000 0.958 240 D CB 0.436 41.316 40.800 0.134 0.000 1.462 240 D HN 0.114 nan 8.370 nan 0.000 0.438 241 L N 2.335 123.623 121.223 0.107 0.000 2.534 241 L HA 0.426 4.765 4.340 -0.001 0.000 0.259 241 L C -1.103 175.896 176.870 0.215 0.000 1.108 241 L CA -0.153 54.696 54.840 0.015 0.000 0.905 241 L CB 1.244 43.216 42.059 -0.145 0.000 1.138 241 L HN 0.167 nan 8.230 nan 0.000 0.475 242 S N 2.495 118.312 115.700 0.195 0.000 2.503 242 S HA 0.742 5.211 4.470 -0.001 0.000 0.301 242 S C -0.371 174.337 174.600 0.180 0.000 1.087 242 S CA -0.863 57.511 58.200 0.290 0.000 1.042 242 S CB 2.431 65.728 63.200 0.161 0.000 1.043 242 S HN 0.532 nan 8.310 nan 0.000 0.489 243 M N 2.175 121.930 119.600 0.258 0.000 2.157 243 M HA 0.673 5.152 4.480 -0.001 0.000 0.354 243 M C -1.645 174.558 176.300 -0.161 0.000 1.170 243 M CA -0.185 55.174 55.300 0.098 0.000 1.060 243 M CB 0.158 32.982 32.600 0.374 0.000 1.615 243 M HN 0.517 nan 8.290 nan 0.000 0.460 244 I N 4.767 125.025 120.570 -0.521 0.000 2.385 244 I HA 0.546 4.716 4.170 -0.001 0.000 0.294 244 I C -0.549 175.369 176.117 -0.330 0.000 0.988 244 I CA -0.377 60.599 61.300 -0.541 0.000 1.265 244 I CB 1.899 39.438 38.000 -0.769 0.000 1.388 244 I HN 0.621 nan 8.210 nan 0.000 0.480 245 V N 6.740 126.559 119.914 -0.158 0.000 2.680 245 V HA 0.497 4.616 4.120 -0.001 0.000 0.309 245 V C -0.745 175.481 176.094 0.221 0.000 1.052 245 V CA -0.729 61.616 62.300 0.075 0.000 0.908 245 V CB 2.044 33.782 31.823 -0.141 0.000 1.001 245 V HN 0.320 nan 8.190 nan 0.000 0.431 246 L N 4.832 126.316 121.223 0.436 0.000 2.343 246 L HA 0.579 4.918 4.340 -0.001 0.000 0.278 246 L C -0.781 176.380 176.870 0.486 0.000 0.996 246 L CA -0.174 54.938 54.840 0.453 0.000 0.831 246 L CB 1.508 43.813 42.059 0.410 0.000 1.232 246 L HN 0.542 nan 8.230 nan 0.000 0.413 247 L N 7.785 129.225 121.223 0.361 0.000 2.295 247 L HA 0.673 5.012 4.340 -0.001 0.000 0.281 247 L C -2.346 174.591 176.870 0.111 0.000 1.018 247 L CA -1.983 52.935 54.840 0.130 0.000 0.841 247 L CB 1.186 42.989 42.059 -0.428 0.000 1.218 247 L HN 0.314 nan 8.230 nan 0.000 0.424 248 P HA 0.126 nan 4.420 nan 0.000 0.268 248 P C -0.166 177.271 177.300 0.227 0.000 1.204 248 P CA 0.016 63.254 63.100 0.231 0.000 0.768 248 P CB 0.736 32.590 31.700 0.256 0.000 0.842 249 N N 1.461 120.218 118.700 0.095 0.000 2.018 249 N HA -0.150 4.589 4.740 -0.001 0.000 0.196 249 N C 0.707 176.235 175.510 0.029 0.000 1.043 249 N CA 1.442 54.523 53.050 0.052 0.000 0.856 249 N CB -0.252 38.241 38.487 0.010 0.000 1.042 249 N HN 0.576 nan 8.380 nan 0.000 0.423 250 E N 0.195 120.357 120.200 -0.064 0.000 2.248 250 E HA 0.116 4.466 4.350 -0.001 0.000 0.272 250 E C 1.445 177.755 176.600 -0.482 0.000 1.008 250 E CA -0.618 55.659 56.400 -0.205 0.000 0.856 250 E CB 1.331 30.950 29.700 -0.135 0.000 1.120 250 E HN -0.091 nan 8.360 nan 0.000 0.397 251 I N 1.253 121.419 120.570 -0.674 0.000 2.103 251 I HA -0.318 3.851 4.170 -0.001 0.000 0.241 251 I C 0.904 176.819 176.117 -0.338 0.000 1.036 251 I CA 1.816 62.652 61.300 -0.774 0.000 1.300 251 I CB -0.932 36.861 38.000 -0.344 0.000 1.010 251 I HN 0.495 nan 8.210 nan 0.000 0.406 252 D N 0.742 121.043 120.400 -0.164 0.000 3.110 252 D HA 0.287 4.927 4.640 -0.001 0.000 0.254 252 D C 1.223 177.515 176.300 -0.014 0.000 1.283 252 D CA 0.187 54.164 54.000 -0.038 0.000 0.944 252 D CB 0.323 41.114 40.800 -0.015 0.000 1.066 252 D HN 0.393 nan 8.370 nan 0.000 0.496 253 G N 0.510 109.310 108.800 -0.000 0.000 3.192 253 G HA2 0.085 4.044 3.960 -0.001 0.000 0.239 253 G HA3 0.085 4.044 3.960 -0.001 0.000 0.239 253 G C 1.271 176.239 174.900 0.114 0.000 1.084 253 G CA -0.271 44.855 45.100 0.043 0.000 0.784 253 G HN 0.375 nan 8.290 nan 0.000 0.540 254 L N -1.014 120.298 121.223 0.148 0.000 2.249 254 L HA 0.279 4.618 4.340 -0.001 0.000 0.207 254 L C 2.355 179.336 176.870 0.185 0.000 1.090 254 L CA 1.345 56.309 54.840 0.207 0.000 0.802 254 L CB -0.185 42.030 42.059 0.260 0.000 0.947 254 L HN 0.235 nan 8.230 nan 0.000 0.453 255 Q N 0.918 120.801 119.800 0.138 0.000 2.045 255 Q HA -0.300 4.039 4.340 -0.001 0.000 0.206 255 Q C 2.355 178.421 176.000 0.110 0.000 0.991 255 Q CA 2.412 58.283 55.803 0.113 0.000 0.851 255 Q CB -0.251 28.531 28.738 0.074 0.000 0.911 255 Q HN 0.505 nan 8.270 nan 0.000 0.418 256 K N 0.174 120.634 120.400 0.100 0.000 2.097 256 K HA -0.191 4.128 4.320 -0.001 0.000 0.206 256 K C 2.104 178.786 176.600 0.137 0.000 1.049 256 K CA 1.249 57.594 56.287 0.096 0.000 0.933 256 K CB -0.331 32.218 32.500 0.081 0.000 0.717 256 K HN 0.338 nan 8.250 nan 0.000 0.442 257 L N 2.147 123.475 121.223 0.176 0.000 1.970 257 L HA -0.190 4.149 4.340 -0.001 0.000 0.212 257 L C 2.014 179.033 176.870 0.248 0.000 1.071 257 L CA 1.974 56.958 54.840 0.239 0.000 0.751 257 L CB -0.641 41.580 42.059 0.269 0.000 0.889 257 L HN 0.220 nan 8.230 nan 0.000 0.432 258 E N -0.589 119.769 120.200 0.262 0.000 2.070 258 E HA -0.299 4.050 4.350 -0.001 0.000 0.197 258 E C 2.099 178.800 176.600 0.170 0.000 1.004 258 E CA 1.634 58.220 56.400 0.310 0.000 0.805 258 E CB -0.149 29.720 29.700 0.283 0.000 0.744 258 E HN 0.545 nan 8.360 nan 0.000 0.451 259 E N 0.317 120.580 120.200 0.105 0.000 2.160 259 E HA -0.168 4.181 4.350 -0.001 0.000 0.195 259 E C 1.267 177.883 176.600 0.027 0.000 0.991 259 E CA 1.153 57.580 56.400 0.045 0.000 0.810 259 E CB 0.222 29.948 29.700 0.043 0.000 0.742 259 E HN 0.098 nan 8.360 nan 0.000 0.466 260 K N -0.456 119.983 120.400 0.064 0.000 2.358 260 K HA 0.168 4.487 4.320 -0.001 0.000 0.200 260 K C 0.145 176.705 176.600 -0.067 0.000 1.030 260 K CA -0.101 56.210 56.287 0.039 0.000 1.097 260 K CB 0.768 33.357 32.500 0.148 0.000 0.862 260 K HN 0.143 nan 8.250 nan 0.000 0.534 261 L N 3.460 124.640 121.223 -0.071 0.000 2.315 261 L HA 0.085 4.424 4.340 -0.001 0.000 0.283 261 L C 0.404 176.898 176.870 -0.627 0.000 1.089 261 L CA 0.164 54.857 54.840 -0.245 0.000 0.833 261 L CB 0.663 42.758 42.059 0.061 0.000 1.170 261 L HN 0.186 nan 8.230 nan 0.000 0.442 262 T N 0.282 114.372 114.554 -0.772 0.000 2.888 262 T HA 0.576 4.926 4.350 -0.001 0.000 0.288 262 T C 0.957 175.176 174.700 -0.801 0.000 1.063 262 T CA -0.059 61.478 62.100 -0.938 0.000 1.010 262 T CB 1.744 70.320 68.868 -0.486 0.000 1.214 262 T HN 0.475 nan 8.240 nan 0.000 0.533 263 A N 1.142 123.688 122.820 -0.457 0.000 1.837 263 A HA -0.127 4.192 4.320 -0.001 0.000 0.216 263 A C 2.136 179.669 177.584 -0.086 0.000 1.210 263 A CA 2.017 54.084 52.037 0.049 0.000 0.632 263 A CB -1.390 17.631 19.000 0.035 0.000 0.843 263 A HN 0.959 nan 8.150 nan 0.000 0.448 264 E N -0.186 119.928 120.200 -0.145 0.000 2.208 264 E HA -0.279 4.070 4.350 -0.001 0.000 0.202 264 E C 1.877 178.319 176.600 -0.263 0.000 1.014 264 E CA 1.598 57.912 56.400 -0.143 0.000 0.819 264 E CB -0.401 29.231 29.700 -0.113 0.000 0.735 264 E HN 0.408 nan 8.360 nan 0.000 0.469 265 K N 0.887 120.998 120.400 -0.482 0.000 2.009 265 K HA -0.072 4.247 4.320 -0.001 0.000 0.210 265 K C 2.220 178.328 176.600 -0.820 0.000 1.049 265 K CA 0.674 56.319 56.287 -1.069 0.000 0.929 265 K CB -0.719 31.028 32.500 -1.255 0.000 0.714 265 K HN 0.129 nan 8.250 nan 0.000 0.440 266 L N 0.010 121.033 121.223 -0.333 0.000 1.976 266 L HA -0.142 4.197 4.340 -0.001 0.000 0.209 266 L C 2.275 179.147 176.870 0.005 0.000 1.071 266 L CA 1.499 56.290 54.840 -0.082 0.000 0.746 266 L CB -0.768 41.273 42.059 -0.029 0.000 0.890 266 L HN 0.279 nan 8.230 nan 0.000 0.432 267 M N 0.045 119.639 119.600 -0.011 0.000 2.413 267 M HA -0.253 4.227 4.480 -0.001 0.000 0.258 267 M C 1.774 178.120 176.300 0.077 0.000 1.081 267 M CA 1.732 57.052 55.300 0.033 0.000 1.047 267 M CB -0.502 32.105 32.600 0.012 0.000 1.390 267 M HN 0.373 nan 8.290 nan 0.000 0.438 268 E N -2.056 118.204 120.200 0.100 0.000 2.280 268 E HA -0.065 4.284 4.350 -0.001 0.000 0.197 268 E C 1.595 178.418 176.600 0.370 0.000 0.913 268 E CA 0.374 56.907 56.400 0.222 0.000 0.995 268 E CB -0.374 29.489 29.700 0.271 0.000 0.991 268 E HN 0.535 nan 8.360 nan 0.000 0.484 269 W N 1.857 123.201 121.300 0.073 0.000 2.363 269 W HA -0.067 4.593 4.660 -0.001 0.000 0.296 269 W C 2.139 178.713 176.519 0.093 0.000 1.212 269 W CA 1.897 59.289 57.345 0.078 0.000 1.260 269 W CB -1.104 28.410 29.460 0.089 0.000 1.131 269 W HN 0.241 nan 8.180 nan 0.000 0.530 270 T N -3.735 111.030 114.554 0.350 0.000 3.105 270 T HA 0.208 4.557 4.350 -0.001 0.000 0.253 270 T C 0.659 175.473 174.700 0.191 0.000 1.047 270 T CA -0.121 62.152 62.100 0.288 0.000 0.944 270 T CB 0.125 69.258 68.868 0.443 0.000 1.016 270 T HN -0.113 nan 8.240 nan 0.000 0.544 271 S N 1.519 117.318 115.700 0.166 0.000 2.474 271 S HA 0.366 4.835 4.470 -0.001 0.000 0.276 271 S C 1.339 175.975 174.600 0.060 0.000 1.227 271 S CA -0.706 57.557 58.200 0.104 0.000 1.050 271 S CB -0.109 63.154 63.200 0.105 0.000 0.939 271 S HN 0.427 nan 8.310 nan 0.000 0.490 272 L N 4.619 125.831 121.223 -0.018 0.000 2.189 272 L HA -0.222 4.117 4.340 -0.001 0.000 0.214 272 L C 2.568 179.424 176.870 -0.023 0.000 1.097 272 L CA 1.351 56.106 54.840 -0.143 0.000 0.764 272 L CB -0.538 41.302 42.059 -0.365 0.000 0.900 272 L HN 0.775 nan 8.230 nan 0.000 0.436 273 Q N 0.187 120.004 119.800 0.028 0.000 2.077 273 Q HA -0.178 4.161 4.340 -0.001 0.000 0.206 273 Q C 0.892 176.947 176.000 0.091 0.000 0.989 273 Q CA 1.323 57.166 55.803 0.066 0.000 0.853 273 Q CB -0.229 28.547 28.738 0.064 0.000 0.907 273 Q HN 0.580 nan 8.270 nan 0.000 0.418 274 N N 0.025 118.781 118.700 0.094 0.000 2.466 274 N HA 0.185 4.924 4.740 -0.001 0.000 0.251 274 N C -0.467 175.107 175.510 0.106 0.000 1.164 274 N CA 0.303 53.412 53.050 0.099 0.000 0.888 274 N CB 0.326 38.877 38.487 0.107 0.000 1.177 274 N HN 0.203 nan 8.380 nan 0.000 0.498 275 M N -0.241 119.447 119.600 0.147 0.000 2.631 275 M HA 0.409 4.888 4.480 -0.001 0.000 0.288 275 M C -1.069 175.426 176.300 0.324 0.000 1.260 275 M CA -0.578 54.856 55.300 0.223 0.000 0.842 275 M CB 2.718 35.460 32.600 0.236 0.000 1.743 275 M HN -0.226 nan 8.290 nan 0.000 0.461 276 R N 0.994 121.672 120.500 0.296 0.000 2.514 276 R HA 0.249 4.588 4.340 -0.001 0.000 0.296 276 R C -1.493 174.796 176.300 -0.020 0.000 1.012 276 R CA -0.659 55.522 56.100 0.136 0.000 0.897 276 R CB 1.687 32.063 30.300 0.127 0.000 1.184 276 R HN 0.620 nan 8.270 nan 0.000 0.440 277 E N 2.367 122.362 120.200 -0.342 0.000 2.271 277 E HA 0.017 4.366 4.350 -0.001 0.000 0.255 277 E C -0.740 175.797 176.600 -0.104 0.000 1.177 277 E CA 0.300 56.497 56.400 -0.339 0.000 0.946 277 E CB 0.295 29.754 29.700 -0.402 0.000 1.009 277 E HN 0.548 nan 8.360 nan 0.000 0.451 278 T N 2.132 116.675 114.554 -0.017 0.000 2.907 278 T HA 0.437 4.787 4.350 -0.001 0.000 0.292 278 T C -0.101 174.574 174.700 -0.041 0.000 1.043 278 T CA -1.215 60.868 62.100 -0.027 0.000 1.003 278 T CB 1.126 69.970 68.868 -0.041 0.000 1.084 278 T HN 0.422 nan 8.240 nan 0.000 0.483 279 R N 1.674 122.140 120.500 -0.056 0.000 2.446 279 R HA 0.441 4.781 4.340 -0.001 0.000 0.314 279 R C -0.752 175.452 176.300 -0.159 0.000 1.003 279 R CA -0.292 55.783 56.100 -0.042 0.000 1.018 279 R CB 0.093 30.438 30.300 0.074 0.000 0.945 279 R HN 0.487 nan 8.270 nan 0.000 0.419 280 V N 2.509 122.301 119.914 -0.204 0.000 2.686 280 V HA 0.050 4.169 4.120 -0.001 0.000 0.306 280 V C -0.499 175.361 176.094 -0.390 0.000 1.065 280 V CA -0.993 61.167 62.300 -0.234 0.000 0.894 280 V CB 2.210 34.078 31.823 0.076 0.000 1.004 280 V HN 0.644 nan 8.190 nan 0.000 0.424 281 D N 4.244 124.328 120.400 -0.525 0.000 2.441 281 D HA 0.360 4.999 4.640 -0.001 0.000 0.221 281 D C -0.471 175.832 176.300 0.006 0.000 1.156 281 D CA -0.261 53.494 54.000 -0.409 0.000 0.896 281 D CB 0.995 41.581 40.800 -0.356 0.000 1.028 281 D HN 0.381 nan 8.370 nan 0.000 0.509 282 L N 4.424 125.665 121.223 0.031 0.000 2.350 282 L HA 0.398 4.737 4.340 -0.001 0.000 0.275 282 L C -0.946 175.937 176.870 0.021 0.000 1.099 282 L CA -0.102 54.805 54.840 0.110 0.000 0.808 282 L CB 1.157 43.217 42.059 0.002 0.000 1.149 282 L HN 0.440 nan 8.230 nan 0.000 0.442 283 H N 6.486 125.607 119.070 0.084 0.000 2.675 283 H HA 0.328 4.883 4.556 -0.001 0.000 0.258 283 H C -1.032 174.260 175.328 -0.061 0.000 1.271 283 H CA -0.460 55.603 56.048 0.025 0.000 1.462 283 H CB 1.289 31.012 29.762 -0.064 0.000 1.467 283 H HN 0.551 nan 8.280 nan 0.000 0.501 284 L N 5.145 126.371 121.223 0.005 0.000 2.295 284 L HA 0.393 4.732 4.340 -0.001 0.000 0.285 284 L C -2.276 174.536 176.870 -0.097 0.000 1.035 284 L CA -1.837 52.929 54.840 -0.124 0.000 0.806 284 L CB 1.828 43.711 42.059 -0.294 0.000 1.214 284 L HN 0.289 nan 8.230 nan 0.000 0.426 285 P HA 0.115 nan 4.420 nan 0.000 0.276 285 P C -1.181 176.093 177.300 -0.044 0.000 1.244 285 P CA -0.535 62.563 63.100 -0.003 0.000 0.801 285 P CB 0.724 32.419 31.700 -0.008 0.000 1.006 286 R N 2.300 122.770 120.500 -0.051 0.000 2.593 286 R HA 0.274 4.614 4.340 -0.001 0.000 0.282 286 R C -0.082 176.190 176.300 -0.047 0.000 1.300 286 R CA -0.228 55.795 56.100 -0.128 0.000 1.221 286 R CB -0.753 29.499 30.300 -0.080 0.000 1.157 286 R HN 0.490 nan 8.270 nan 0.000 0.555 287 F N 0.300 120.144 119.950 -0.177 0.000 2.629 287 F HA 0.686 5.212 4.527 -0.001 0.000 0.386 287 F C -0.955 174.820 175.800 -0.041 0.000 1.135 287 F CA -1.354 56.587 58.000 -0.098 0.000 1.116 287 F CB 0.891 39.780 39.000 -0.186 0.000 1.426 287 F HN 0.024 nan 8.300 nan 0.000 0.501 288 K N 0.231 120.891 120.400 0.433 0.000 2.582 288 K HA 0.584 4.904 4.320 -0.001 0.000 0.259 288 K C -2.365 174.521 176.600 0.477 0.000 0.973 288 K CA -0.841 55.660 56.287 0.357 0.000 0.880 288 K CB 1.440 34.140 32.500 0.333 0.000 1.310 288 K HN 0.567 nan 8.250 nan 0.000 0.443 289 V N 1.156 121.349 119.914 0.464 0.000 2.394 289 V HA 0.469 4.589 4.120 -0.001 0.000 0.282 289 V C -0.443 175.899 176.094 0.413 0.000 1.031 289 V CA -0.451 62.071 62.300 0.370 0.000 0.881 289 V CB 1.150 33.136 31.823 0.272 0.000 0.982 289 V HN 0.921 nan 8.190 nan 0.000 0.451 290 E N 3.116 123.395 120.200 0.131 0.000 2.331 290 E HA 0.415 4.765 4.350 -0.001 0.000 0.243 290 E C -0.980 175.570 176.600 -0.083 0.000 0.925 290 E CA -0.280 56.058 56.400 -0.103 0.000 0.760 290 E CB 0.954 30.320 29.700 -0.556 0.000 1.254 290 E HN 0.629 nan 8.360 nan 0.000 0.419 291 E N 2.109 122.276 120.200 -0.055 0.000 2.185 291 E HA 0.251 4.600 4.350 -0.001 0.000 0.261 291 E C -1.258 174.970 176.600 -0.620 0.000 0.879 291 E CA -0.422 55.782 56.400 -0.326 0.000 0.756 291 E CB 1.900 31.453 29.700 -0.244 0.000 1.152 291 E HN 0.369 nan 8.360 nan 0.000 0.416 292 S N 3.512 118.858 115.700 -0.590 0.000 2.541 292 S HA 0.650 5.119 4.470 -0.001 0.000 0.283 292 S C -1.069 173.218 174.600 -0.522 0.000 1.196 292 S CA -0.276 57.666 58.200 -0.430 0.000 1.062 292 S CB 0.340 63.429 63.200 -0.185 0.000 1.009 292 S HN 0.374 nan 8.310 nan 0.000 0.502 293 Y N 1.183 121.543 120.300 0.100 0.000 2.562 293 Y HA 0.410 4.959 4.550 -0.001 0.000 0.345 293 Y C -0.436 175.550 175.900 0.144 0.000 1.045 293 Y CA -1.200 56.972 58.100 0.121 0.000 1.028 293 Y CB 1.835 40.399 38.460 0.172 0.000 1.297 293 Y HN 0.513 nan 8.280 nan 0.000 0.463 294 D N 2.894 123.474 120.400 0.300 0.000 2.404 294 D HA 0.229 4.868 4.640 -0.001 0.000 0.267 294 D C -0.171 176.202 176.300 0.123 0.000 1.194 294 D CA -0.201 53.903 54.000 0.173 0.000 0.910 294 D CB 0.751 41.611 40.800 0.099 0.000 1.090 294 D HN 0.647 nan 8.370 nan 0.000 0.511 295 L N 2.366 123.672 121.223 0.139 0.000 2.786 295 L HA 0.048 4.387 4.340 -0.001 0.000 0.250 295 L C 2.181 179.005 176.870 -0.078 0.000 1.151 295 L CA 0.097 54.960 54.840 0.039 0.000 0.910 295 L CB -0.391 41.709 42.059 0.069 0.000 1.082 295 L HN 0.183 nan 8.230 nan 0.000 0.433 296 K N 1.178 121.491 120.400 -0.144 0.000 1.965 296 K HA -0.190 4.129 4.320 -0.001 0.000 0.218 296 K C 1.538 177.754 176.600 -0.640 0.000 1.048 296 K CA 2.029 58.020 56.287 -0.494 0.000 0.960 296 K CB 0.017 32.306 32.500 -0.351 0.000 0.732 296 K HN 0.291 nan 8.250 nan 0.000 0.444 297 D N 0.100 120.273 120.400 -0.379 0.000 2.106 297 D HA -0.174 4.466 4.640 -0.001 0.000 0.191 297 D C 1.949 178.100 176.300 -0.248 0.000 0.997 297 D CA 1.927 55.752 54.000 -0.292 0.000 0.834 297 D CB -0.680 40.018 40.800 -0.170 0.000 0.956 297 D HN 0.391 nan 8.370 nan 0.000 0.448 298 T N 2.198 116.631 114.554 -0.201 0.000 2.570 298 T HA -0.179 4.171 4.350 -0.001 0.000 0.266 298 T C 1.946 176.539 174.700 -0.178 0.000 1.071 298 T CA 0.685 62.668 62.100 -0.195 0.000 1.172 298 T CB -0.416 68.319 68.868 -0.222 0.000 0.864 298 T HN 0.023 nan 8.240 nan 0.000 0.421 299 L N 0.881 122.014 121.223 -0.151 0.000 2.081 299 L HA -0.053 4.286 4.340 -0.001 0.000 0.212 299 L C 2.542 179.395 176.870 -0.028 0.000 1.080 299 L CA 1.601 56.420 54.840 -0.036 0.000 0.754 299 L CB -1.132 40.994 42.059 0.113 0.000 0.893 299 L HN 0.229 nan 8.230 nan 0.000 0.433 300 R N -0.708 119.690 120.500 -0.169 0.000 2.088 300 R HA -0.193 4.146 4.340 -0.001 0.000 0.232 300 R C 2.312 178.576 176.300 -0.061 0.000 1.136 300 R CA 2.381 58.422 56.100 -0.099 0.000 0.926 300 R CB -0.716 29.443 30.300 -0.234 0.000 0.837 300 R HN 0.502 nan 8.270 nan 0.000 0.429 301 T N -0.538 113.957 114.554 -0.099 0.000 2.822 301 T HA -0.180 4.170 4.350 -0.001 0.000 0.270 301 T C 1.788 176.444 174.700 -0.073 0.000 1.064 301 T CA 1.505 63.556 62.100 -0.083 0.000 1.131 301 T CB -0.155 68.654 68.868 -0.098 0.000 0.858 301 T HN 0.165 nan 8.240 nan 0.000 0.483 302 M N 0.304 119.858 119.600 -0.077 0.000 2.539 302 M HA 0.132 4.611 4.480 -0.001 0.000 0.261 302 M C 1.975 178.244 176.300 -0.052 0.000 1.069 302 M CA 1.395 56.657 55.300 -0.065 0.000 1.081 302 M CB -0.429 32.141 32.600 -0.050 0.000 1.412 302 M HN 0.725 nan 8.290 nan 0.000 0.482 303 G N 0.463 109.241 108.800 -0.037 0.000 2.183 303 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.168 303 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.168 303 G C 0.088 174.980 174.900 -0.013 0.000 1.008 303 G CA -0.493 44.585 45.100 -0.035 0.000 0.677 303 G HN 0.379 nan 8.290 nan 0.000 0.498 304 M N 1.540 121.163 119.600 0.038 0.000 2.103 304 M HA 0.540 5.019 4.480 -0.001 0.000 0.350 304 M C 1.061 177.496 176.300 0.225 0.000 1.100 304 M CA -0.311 55.045 55.300 0.092 0.000 1.042 304 M CB 1.633 34.312 32.600 0.133 0.000 1.368 304 M HN 0.183 nan 8.290 nan 0.000 0.404 305 V N 2.728 122.721 119.914 0.132 0.000 3.359 305 V HA 0.016 4.135 4.120 -0.001 0.000 0.245 305 V C 1.209 177.382 176.094 0.132 0.000 1.247 305 V CA 1.075 63.489 62.300 0.190 0.000 1.145 305 V CB 0.427 32.300 31.823 0.083 0.000 0.906 305 V HN 0.713 nan 8.190 nan 0.000 0.464 306 D N 1.692 122.100 120.400 0.014 0.000 2.108 306 D HA -0.184 4.455 4.640 -0.001 0.000 0.190 306 D C 2.274 178.511 176.300 -0.106 0.000 0.995 306 D CA 2.457 56.434 54.000 -0.038 0.000 0.834 306 D CB -0.446 40.317 40.800 -0.063 0.000 0.967 306 D HN 0.510 nan 8.370 nan 0.000 0.446 307 I N -0.302 120.116 120.570 -0.254 0.000 2.285 307 I HA -0.296 3.873 4.170 -0.001 0.000 0.254 307 I C 1.819 177.620 176.117 -0.526 0.000 1.093 307 I CA 1.517 62.527 61.300 -0.483 0.000 1.368 307 I CB -1.743 35.765 38.000 -0.820 0.000 1.054 307 I HN -0.051 nan 8.210 nan 0.000 0.435 308 F N 1.919 121.840 119.950 -0.049 0.000 2.693 308 F HA 0.202 4.728 4.527 -0.002 0.000 0.303 308 F C 0.874 176.647 175.800 -0.045 0.000 1.097 308 F CA -0.538 57.433 58.000 -0.048 0.000 1.330 308 F CB -0.432 38.542 39.000 -0.042 0.000 1.067 308 F HN 0.360 nan 8.300 nan 0.000 0.565 309 N N -1.410 117.327 118.700 0.063 0.000 2.647 309 N HA 0.297 5.036 4.740 -0.001 0.000 0.266 309 N C 0.931 176.438 175.510 -0.006 0.000 1.373 309 N CA -0.520 52.551 53.050 0.035 0.000 0.807 309 N CB 0.545 39.057 38.487 0.043 0.000 1.513 309 N HN -0.103 nan 8.380 nan 0.000 0.505 310 G N -0.996 107.802 108.800 -0.003 0.000 2.621 310 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.215 310 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.215 310 G C 0.091 174.979 174.900 -0.019 0.000 1.127 310 G CA 0.721 45.815 45.100 -0.011 0.000 0.747 310 G HN 0.675 nan 8.290 nan 0.000 0.561 311 D N -0.214 120.172 120.400 -0.024 0.000 2.395 311 D HA 0.288 4.928 4.640 -0.001 0.000 0.213 311 D C 1.316 177.586 176.300 -0.049 0.000 1.110 311 D CA -0.063 53.919 54.000 -0.030 0.000 0.835 311 D CB 0.460 41.246 40.800 -0.023 0.000 0.965 311 D HN 0.250 nan 8.370 nan 0.000 0.505 312 A N 1.071 123.851 122.820 -0.066 0.000 2.522 312 A HA 0.090 4.409 4.320 -0.001 0.000 0.256 312 A C 0.160 177.689 177.584 -0.092 0.000 1.086 312 A CA 0.121 52.097 52.037 -0.101 0.000 0.763 312 A CB 0.214 19.132 19.000 -0.137 0.000 1.024 312 A HN -0.090 nan 8.150 nan 0.000 0.502 313 D N 3.278 123.622 120.400 -0.093 0.000 2.505 313 D HA 0.330 4.969 4.640 -0.001 0.000 0.242 313 D C -0.394 175.846 176.300 -0.101 0.000 1.136 313 D CA -0.095 53.855 54.000 -0.082 0.000 0.954 313 D CB 0.063 40.826 40.800 -0.062 0.000 1.002 313 D HN 0.430 nan 8.370 nan 0.000 0.512 314 L N 2.584 123.733 121.223 -0.122 0.000 2.956 314 L HA 0.212 4.551 4.340 -0.001 0.000 0.232 314 L C 1.567 178.344 176.870 -0.156 0.000 1.291 314 L CA -0.314 54.432 54.840 -0.156 0.000 1.122 314 L CB 0.402 42.350 42.059 -0.184 0.000 1.461 314 L HN 0.140 nan 8.230 nan 0.000 0.470 315 S N 0.808 116.439 115.700 -0.115 0.000 2.402 315 S HA -0.096 4.373 4.470 -0.001 0.000 0.229 315 S C 2.084 176.622 174.600 -0.104 0.000 1.021 315 S CA 1.451 59.595 58.200 -0.093 0.000 0.974 315 S CB 0.085 63.249 63.200 -0.060 0.000 0.800 315 S HN 0.776 nan 8.310 nan 0.000 0.484 316 G N 1.608 110.336 108.800 -0.121 0.000 2.442 316 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.219 316 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.219 316 G C 1.334 176.110 174.900 -0.205 0.000 1.141 316 G CA 0.833 45.869 45.100 -0.106 0.000 0.763 316 G HN 0.466 nan 8.290 nan 0.000 0.554 317 M N 0.551 119.894 119.600 -0.428 0.000 2.229 317 M HA 0.024 4.504 4.480 -0.001 0.000 0.264 317 M C 2.260 178.516 176.300 -0.073 0.000 1.063 317 M CA 1.765 56.795 55.300 -0.450 0.000 1.114 317 M CB -0.049 32.329 32.600 -0.370 0.000 1.387 317 M HN 0.380 nan 8.290 nan 0.000 0.420 318 T N -4.562 109.898 114.554 -0.157 0.000 3.144 318 T HA 0.468 4.818 4.350 -0.001 0.000 0.290 318 T C 1.194 175.851 174.700 -0.072 0.000 0.966 318 T CA 0.382 62.398 62.100 -0.140 0.000 0.907 318 T CB 0.619 69.344 68.868 -0.238 0.000 1.152 318 T HN 0.540 nan 8.240 nan 0.000 0.532 319 G N 1.535 110.303 108.800 -0.053 0.000 2.212 319 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.266 319 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.266 319 G C 0.316 175.191 174.900 -0.040 0.000 0.978 319 G CA 0.801 45.882 45.100 -0.033 0.000 0.632 319 G HN 1.672 nan 8.290 nan 0.000 0.537 320 S N -1.474 114.194 115.700 -0.053 0.000 2.806 320 S HA 0.877 5.346 4.470 -0.001 0.000 0.306 320 S C -0.236 174.336 174.600 -0.046 0.000 1.167 320 S CA -0.816 57.357 58.200 -0.045 0.000 0.847 320 S CB 2.067 65.240 63.200 -0.044 0.000 1.216 320 S HN 0.527 nan 8.310 nan 0.000 0.532 321 R N -1.071 119.409 120.500 -0.032 0.000 2.782 321 R HA 0.726 5.066 4.340 -0.001 0.000 0.258 321 R C 0.740 177.044 176.300 0.007 0.000 1.055 321 R CA -0.313 55.770 56.100 -0.029 0.000 1.065 321 R CB 1.248 31.529 30.300 -0.031 0.000 1.172 321 R HN 1.267 nan 8.270 nan 0.000 0.510 322 G N 0.053 108.862 108.800 0.015 0.000 2.421 322 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.188 322 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.188 322 G C -0.831 174.126 174.900 0.094 0.000 1.001 322 G CA -0.608 44.542 45.100 0.083 0.000 0.693 322 G HN 0.337 nan 8.290 nan 0.000 0.479 323 L N 2.318 123.517 121.223 -0.040 0.000 2.290 323 L HA 0.782 5.121 4.340 -0.001 0.000 0.284 323 L C -0.177 176.559 176.870 -0.223 0.000 1.078 323 L CA -0.864 53.785 54.840 -0.319 0.000 0.815 323 L CB 1.622 43.443 42.059 -0.397 0.000 1.162 323 L HN 0.096 nan 8.230 nan 0.000 0.435 324 V N 6.358 126.135 119.914 -0.229 0.000 2.525 324 V HA 0.287 4.406 4.120 -0.001 0.000 0.299 324 V C 0.002 175.999 176.094 -0.162 0.000 1.034 324 V CA -0.877 61.323 62.300 -0.166 0.000 0.863 324 V CB 1.907 33.670 31.823 -0.099 0.000 0.999 324 V HN 0.638 nan 8.190 nan 0.000 0.423 325 L N 4.207 125.313 121.223 -0.195 0.000 2.559 325 L HA 0.123 4.462 4.340 -0.001 0.000 0.274 325 L C 0.365 177.220 176.870 -0.025 0.000 1.205 325 L CA 0.655 55.399 54.840 -0.160 0.000 0.907 325 L CB 1.202 43.059 42.059 -0.337 0.000 1.153 325 L HN 0.845 nan 8.230 nan 0.000 0.490 326 S N 3.337 119.045 115.700 0.013 0.000 2.256 326 S HA 0.599 5.068 4.470 -0.001 0.000 0.210 326 S C 0.062 174.698 174.600 0.060 0.000 1.329 326 S CA -0.054 58.170 58.200 0.041 0.000 1.267 326 S CB 0.755 63.905 63.200 -0.082 0.000 1.086 326 S HN 1.117 nan 8.310 nan 0.000 0.468 327 G N 0.378 109.292 108.800 0.188 0.000 2.742 327 G HA2 0.131 4.090 3.960 -0.001 0.000 0.686 327 G HA3 0.131 4.090 3.960 -0.001 0.000 0.686 327 G C -1.359 173.634 174.900 0.155 0.000 1.220 327 G CA -0.981 44.194 45.100 0.126 0.000 0.783 327 G HN 0.658 nan 8.290 nan 0.000 0.646 328 V N 3.237 123.246 119.914 0.158 0.000 2.524 328 V HA 0.552 4.671 4.120 -0.001 0.000 0.297 328 V C -0.001 176.195 176.094 0.169 0.000 1.035 328 V CA -1.020 61.384 62.300 0.174 0.000 0.867 328 V CB 1.716 33.672 31.823 0.222 0.000 1.004 328 V HN 0.785 nan 8.190 nan 0.000 0.426 329 L N 5.112 126.432 121.223 0.161 0.000 2.272 329 L HA 0.558 4.897 4.340 -0.001 0.000 0.289 329 L C -0.254 176.758 176.870 0.237 0.000 1.032 329 L CA -0.088 54.853 54.840 0.169 0.000 0.810 329 L CB 1.155 43.275 42.059 0.102 0.000 1.205 329 L HN 0.705 nan 8.230 nan 0.000 0.422 330 H N 4.440 123.619 119.070 0.182 0.000 2.538 330 H HA 0.413 4.968 4.556 -0.001 0.000 0.353 330 H C -1.324 174.094 175.328 0.151 0.000 1.109 330 H CA -0.644 55.530 56.048 0.209 0.000 1.192 330 H CB 2.347 32.288 29.762 0.299 0.000 1.555 330 H HN 0.554 nan 8.280 nan 0.000 0.518 331 K N 3.712 123.869 120.400 -0.404 0.000 2.652 331 K HA 0.552 4.871 4.320 -0.001 0.000 0.249 331 K C -1.807 174.665 176.600 -0.214 0.000 0.986 331 K CA -0.538 55.608 56.287 -0.235 0.000 0.867 331 K CB 1.375 33.827 32.500 -0.081 0.000 1.201 331 K HN 0.620 nan 8.250 nan 0.000 0.450 332 A N 4.310 127.081 122.820 -0.083 0.000 2.312 332 A HA 0.692 5.011 4.320 -0.001 0.000 0.326 332 A C -1.375 176.426 177.584 0.362 0.000 1.172 332 A CA -0.586 51.531 52.037 0.134 0.000 0.821 332 A CB 0.408 19.401 19.000 -0.011 0.000 1.166 332 A HN 0.777 nan 8.150 nan 0.000 0.493 333 F N 3.416 123.520 119.950 0.256 0.000 3.090 333 F HA 0.451 4.977 4.527 -0.001 0.000 0.381 333 F C -1.026 174.818 175.800 0.074 0.000 1.231 333 F CA -0.721 57.425 58.000 0.245 0.000 1.177 333 F CB 1.079 40.238 39.000 0.266 0.000 1.598 333 F HN 0.545 nan 8.300 nan 0.000 0.589 334 V N 5.067 125.212 119.914 0.385 0.000 2.612 334 V HA 0.508 4.627 4.120 -0.001 0.000 0.301 334 V C -0.915 175.082 176.094 -0.162 0.000 1.046 334 V CA -0.104 62.140 62.300 -0.095 0.000 0.946 334 V CB 2.203 33.988 31.823 -0.063 0.000 1.003 334 V HN 0.782 nan 8.190 nan 0.000 0.459 335 E N 3.038 123.017 120.200 -0.369 0.000 2.246 335 E HA 0.537 4.886 4.350 -0.001 0.000 0.266 335 E C -1.627 174.718 176.600 -0.426 0.000 0.880 335 E CA -0.492 55.706 56.400 -0.337 0.000 0.762 335 E CB 2.336 31.845 29.700 -0.318 0.000 1.180 335 E HN 0.516 nan 8.360 nan 0.000 0.416 336 V N 3.264 122.818 119.914 -0.599 0.000 2.347 336 V HA 0.390 4.509 4.120 -0.001 0.000 0.280 336 V C 0.148 175.987 176.094 -0.425 0.000 1.021 336 V CA -0.168 61.752 62.300 -0.633 0.000 0.847 336 V CB 1.556 32.671 31.823 -1.181 0.000 0.990 336 V HN 0.689 nan 8.190 nan 0.000 0.444 337 T N 2.402 116.786 114.554 -0.283 0.000 2.858 337 T HA 0.389 4.738 4.350 -0.001 0.000 0.285 337 T C 0.935 175.596 174.700 -0.065 0.000 1.052 337 T CA -0.392 61.599 62.100 -0.181 0.000 1.009 337 T CB 1.824 70.597 68.868 -0.159 0.000 1.241 337 T HN 0.756 nan 8.240 nan 0.000 0.542 338 E N 0.670 120.854 120.200 -0.026 0.000 2.030 338 E HA 0.011 4.360 4.350 -0.001 0.000 0.189 338 E C 0.176 176.935 176.600 0.264 0.000 0.974 338 E CA 0.368 56.835 56.400 0.112 0.000 0.807 338 E CB -0.604 29.180 29.700 0.140 0.000 0.771 338 E HN 0.806 nan 8.360 nan 0.000 0.451 339 E N 1.650 121.926 120.200 0.126 0.000 2.760 339 E HA 0.198 4.547 4.350 -0.001 0.000 0.268 339 E C 0.285 176.955 176.600 0.116 0.000 0.935 339 E CA 0.532 56.992 56.400 0.100 0.000 0.960 339 E CB 0.234 29.948 29.700 0.023 0.000 0.931 339 E HN 0.347 nan 8.360 nan 0.000 0.483 361 E N -0.153 119.901 120.200 -0.243 0.000 2.393 361 E HA 0.503 4.852 4.350 -0.001 0.000 0.273 361 E C -1.824 174.616 176.600 -0.267 0.000 0.918 361 E CA -0.531 55.686 56.400 -0.306 0.000 0.773 361 E CB 1.948 31.307 29.700 -0.569 0.000 1.275 361 E HN 0.678 nan 8.360 nan 0.000 0.451 362 E N 1.091 121.195 120.200 -0.161 0.000 2.378 362 E HA 0.584 4.933 4.350 -0.001 0.000 0.265 362 E C -1.365 175.327 176.600 0.153 0.000 0.932 362 E CA -0.867 55.520 56.400 -0.021 0.000 0.795 362 E CB 1.297 30.993 29.700 -0.006 0.000 1.296 362 E HN 0.302 nan 8.360 nan 0.000 0.438 363 F N 1.342 121.342 119.950 0.083 0.000 2.552 363 F HA 0.288 4.814 4.527 -0.001 0.000 0.369 363 F C -1.029 174.835 175.800 0.106 0.000 1.112 363 F CA -0.704 57.348 58.000 0.087 0.000 1.129 363 F CB 1.077 40.092 39.000 0.025 0.000 1.360 363 F HN 0.592 nan 8.300 nan 0.000 0.473 364 H N 3.858 122.867 119.070 -0.101 0.000 2.761 364 H HA 0.310 4.865 4.556 -0.001 0.000 0.284 364 H C -0.532 174.675 175.328 -0.202 0.000 1.105 364 H CA -0.393 55.580 56.048 -0.124 0.000 1.352 364 H CB 0.444 30.084 29.762 -0.204 0.000 1.423 364 H HN 0.545 nan 8.280 nan 0.000 0.464 365 C N 5.031 124.183 119.300 -0.246 0.000 2.478 365 C HA 0.124 4.583 4.460 -0.001 0.000 0.471 365 C C 1.278 176.200 174.990 -0.112 0.000 1.146 365 C CA -0.560 58.298 59.018 -0.266 0.000 1.532 365 C CB -2.145 25.382 27.740 -0.354 0.000 1.622 365 C HN 0.885 nan 8.230 nan 0.000 0.568 366 N N 0.186 118.720 118.700 -0.277 0.000 2.254 366 N HA 0.025 4.765 4.740 -0.001 0.000 0.190 366 N C 0.519 175.510 175.510 -0.866 0.000 1.107 366 N CA -0.109 52.798 53.050 -0.238 0.000 0.869 366 N CB 0.162 38.652 38.487 0.004 0.000 0.983 366 N HN 0.811 nan 8.380 nan 0.000 0.487 367 H N -2.196 116.496 119.070 -0.631 0.000 2.907 367 H HA 0.502 5.057 4.556 -0.001 0.000 0.361 367 H C -3.092 172.289 175.328 0.088 0.000 1.194 367 H CA -2.318 53.355 56.048 -0.624 0.000 1.152 367 H CB 0.822 30.516 29.762 -0.115 0.000 1.867 367 H HN -0.280 nan 8.280 nan 0.000 0.561 368 P HA -0.061 nan 4.420 nan 0.000 0.268 368 P C -0.886 176.809 177.300 0.657 0.000 1.189 368 P CA 0.900 64.366 63.100 0.609 0.000 0.771 368 P CB -0.021 31.914 31.700 0.393 0.000 0.822 369 F N -0.709 119.490 119.950 0.415 0.000 2.765 369 F HA 0.501 5.027 4.527 -0.001 0.000 0.313 369 F C -2.319 173.700 175.800 0.365 0.000 1.136 369 F CA -1.607 56.599 58.000 0.343 0.000 0.952 369 F CB 0.059 39.224 39.000 0.274 0.000 1.268 369 F HN 0.035 nan 8.300 nan 0.000 0.441 370 L N 2.248 123.702 121.223 0.384 0.000 2.325 370 L HA 0.943 5.282 4.340 -0.001 0.000 0.278 370 L C -0.487 176.631 176.870 0.414 0.000 1.023 370 L CA -0.811 54.157 54.840 0.214 0.000 0.811 370 L CB 1.084 43.210 42.059 0.112 0.000 1.249 370 L HN 0.833 nan 8.230 nan 0.000 0.431 371 F N 0.611 120.584 119.950 0.039 0.000 2.849 371 F HA 0.983 5.509 4.527 -0.001 0.000 0.341 371 F C -1.062 174.766 175.800 0.047 0.000 1.185 371 F CA -1.998 56.085 58.000 0.137 0.000 1.007 371 F CB 1.674 40.839 39.000 0.275 0.000 1.454 371 F HN 0.636 nan 8.300 nan 0.000 0.518 372 F N -0.658 119.217 119.950 -0.127 0.000 2.654 372 F HA 0.552 5.079 4.527 -0.001 0.000 0.315 372 F C -2.426 173.433 175.800 0.098 0.000 1.042 372 F CA -1.610 56.274 58.000 -0.194 0.000 1.048 372 F CB 0.020 38.830 39.000 -0.317 0.000 1.287 372 F HN 0.541 nan 8.300 nan 0.000 0.501 373 I N 5.031 125.711 120.570 0.183 0.000 2.325 373 I HA 0.500 4.670 4.170 -0.001 0.000 0.291 373 I C 0.264 176.419 176.117 0.062 0.000 1.019 373 I CA -0.427 60.906 61.300 0.056 0.000 1.302 373 I CB 1.282 39.261 38.000 -0.035 0.000 1.401 373 I HN 0.848 nan 8.210 nan 0.000 0.485 374 R N 5.975 126.476 120.500 0.002 0.000 2.943 374 R HA 0.482 4.821 4.340 -0.001 0.000 0.246 374 R C -0.755 175.507 176.300 -0.062 0.000 1.201 374 R CA -0.848 55.291 56.100 0.065 0.000 1.056 374 R CB 1.290 31.728 30.300 0.231 0.000 1.243 374 R HN 0.577 nan 8.270 nan 0.000 0.498 375 Q N 1.553 121.340 119.800 -0.021 0.000 2.508 375 Q HA 0.155 4.494 4.340 -0.001 0.000 0.247 375 Q C -0.718 175.318 176.000 0.060 0.000 1.047 375 Q CA -0.241 55.543 55.803 -0.032 0.000 0.783 375 Q CB 0.911 29.662 28.738 0.022 0.000 1.172 375 Q HN 0.890 nan 8.270 nan 0.000 0.515 376 N N 2.184 120.918 118.700 0.057 0.000 2.096 376 N HA -0.289 4.450 4.740 -0.001 0.000 0.195 376 N C 1.086 176.641 175.510 0.075 0.000 1.017 376 N CA 1.728 54.819 53.050 0.069 0.000 0.870 376 N CB 0.104 38.632 38.487 0.068 0.000 1.024 376 N HN 0.370 nan 8.380 nan 0.000 0.434 377 K N -0.162 120.290 120.400 0.087 0.000 2.034 377 K HA -0.087 4.232 4.320 -0.001 0.000 0.214 377 K C 1.150 177.795 176.600 0.076 0.000 1.051 377 K CA 1.817 58.156 56.287 0.086 0.000 0.931 377 K CB -0.312 32.253 32.500 0.108 0.000 0.715 377 K HN 0.386 nan 8.250 nan 0.000 0.446 378 T N -1.171 113.435 114.554 0.087 0.000 3.296 378 T HA 0.173 4.522 4.350 -0.001 0.000 0.285 378 T C -0.552 174.189 174.700 0.068 0.000 1.014 378 T CA -0.057 62.082 62.100 0.066 0.000 0.920 378 T CB -0.662 68.238 68.868 0.054 0.000 1.143 378 T HN 0.326 nan 8.240 nan 0.000 0.522 379 N N 0.470 119.218 118.700 0.081 0.000 2.693 379 N HA -0.197 4.542 4.740 -0.001 0.000 0.250 379 N C -0.650 174.915 175.510 0.091 0.000 1.033 379 N CA 0.590 53.696 53.050 0.093 0.000 0.747 379 N CB -2.342 36.194 38.487 0.082 0.000 0.964 379 N HN 0.420 nan 8.380 nan 0.000 0.540 380 S N 0.190 115.951 115.700 0.103 0.000 2.409 380 S HA 0.374 4.843 4.470 -0.001 0.000 0.308 380 S C 0.446 175.108 174.600 0.103 0.000 1.080 380 S CA -0.818 57.442 58.200 0.100 0.000 1.081 380 S CB 0.184 63.468 63.200 0.139 0.000 1.009 380 S HN 0.268 nan 8.310 nan 0.000 0.502 381 I N 3.571 124.187 120.570 0.078 0.000 2.741 381 I HA -0.048 4.122 4.170 -0.001 0.000 0.288 381 I C 1.000 177.126 176.117 0.015 0.000 1.192 381 I CA 0.432 61.787 61.300 0.091 0.000 1.426 381 I CB 0.067 38.077 38.000 0.018 0.000 1.367 381 I HN 0.609 nan 8.210 nan 0.000 0.563 382 L N 3.337 124.529 121.223 -0.052 0.000 2.858 382 L HA 0.607 4.946 4.340 -0.001 0.000 0.251 382 L C -0.328 176.185 176.870 -0.594 0.000 1.149 382 L CA -0.066 54.624 54.840 -0.249 0.000 0.955 382 L CB -0.102 41.775 42.059 -0.304 0.000 1.289 382 L HN 0.261 nan 8.230 nan 0.000 0.542 383 F N -0.316 119.594 119.950 -0.067 0.000 2.678 383 F HA 0.633 5.159 4.527 -0.001 0.000 0.308 383 F C -1.109 174.717 175.800 0.044 0.000 1.118 383 F CA -1.068 56.898 58.000 -0.057 0.000 0.959 383 F CB 1.885 40.964 39.000 0.132 0.000 1.305 383 F HN -0.139 nan 8.300 nan 0.000 0.443 384 Y N 0.410 120.719 120.300 0.015 0.000 2.457 384 Y HA 0.577 5.126 4.550 -0.001 0.000 0.322 384 Y C -0.736 175.073 175.900 -0.152 0.000 1.218 384 Y CA -0.576 57.361 58.100 -0.272 0.000 1.116 384 Y CB 1.819 39.897 38.460 -0.636 0.000 1.335 384 Y HN 0.852 nan 8.280 nan 0.000 0.452 385 G N 3.557 112.236 108.800 -0.202 0.000 2.606 385 G HA2 0.600 4.559 3.960 -0.001 0.000 0.300 385 G HA3 0.600 4.559 3.960 -0.001 0.000 0.300 385 G C -2.247 172.585 174.900 -0.113 0.000 1.360 385 G CA -1.295 43.883 45.100 0.130 0.000 0.783 385 G HN 0.789 nan 8.290 nan 0.000 0.484 386 R N -1.341 119.261 120.500 0.171 0.000 2.532 386 R HA 0.710 5.049 4.340 -0.001 0.000 0.297 386 R C -1.984 174.342 176.300 0.044 0.000 0.984 386 R CA -0.840 55.338 56.100 0.131 0.000 0.884 386 R CB 1.764 32.223 30.300 0.265 0.000 1.182 386 R HN 0.392 nan 8.270 nan 0.000 0.442 387 F N 3.927 123.636 119.950 -0.402 0.000 2.361 387 F HA 0.333 4.859 4.527 -0.001 0.000 0.364 387 F C 0.440 176.058 175.800 -0.303 0.000 1.120 387 F CA -0.036 57.613 58.000 -0.586 0.000 1.102 387 F CB 1.807 40.051 39.000 -1.261 0.000 1.183 387 F HN 0.877 nan 8.300 nan 0.000 0.476 388 S N 1.925 117.251 115.700 -0.623 0.000 2.679 388 S HA 0.041 4.511 4.470 -0.001 0.000 0.258 388 S C 0.838 175.186 174.600 -0.421 0.000 1.068 388 S CA 0.373 58.453 58.200 -0.200 0.000 1.115 388 S CB -0.306 62.877 63.200 -0.030 0.000 1.078 388 S HN 0.733 nan 8.310 nan 0.000 0.603 389 S N 3.680 118.767 115.700 -1.022 0.000 3.237 389 S HA -0.077 4.392 4.470 -0.001 0.000 0.329 389 S C -1.881 172.531 174.600 -0.313 0.000 0.881 389 S CA 0.343 58.073 58.200 -0.783 0.000 1.297 389 S CB -1.338 61.238 63.200 -1.040 0.000 0.866 389 S HN 0.585 nan 8.310 nan 0.000 0.473 390 P HA 0.000 nan 4.420 nan 0.000 0.216 390 P CA 0.000 63.069 63.100 -0.052 0.000 0.800 390 P CB 0.000 31.684 31.700 -0.026 0.000 0.726