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 3cwc_1_B DATA FIRST_RESID -1 DATA SEQUENCE NAXKIVIAPD SYKESLSALE VATAIEQGFR EIWPDADYLK LPLADGGEGT DATA SEQUENCE VEAXVEATAG RIVHVEVTGP LGHRVNAFYG LSGDARSAFI EXAAASGLEQ DATA SEQUENCE VPPAQRDPLK TTSWGTGELI RHALDAGVEH IIIGIGGSAT NDGGAGXVQA DATA SEQUENCE LGARLRDAQG NDIAQGGIGL ETLASIDISG LDKRLSACHI EVACDVTNPL DATA SEQUENCE TGKEGASAVF GPQKGATPEX IERLDTALTR YAHLIARDLH VDVLDLAGGG DATA SEQUENCE AAGGXGAALY AFCGAQLRRG IEIVTDALHL EACLADADLV ITGEGRIDSQ DATA SEQUENCE TIHGKVPIGV ANIAKRYNKP VIGIAGSLTA XXXXXXXHGL DAVFSVIYTI DATA SEQUENCE CTLEDALKNA SENVRXTARN VAATLKAGQQ L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 N HA 0.000 nan 4.740 nan 0.000 0.220 -1 N C 0.000 175.458 175.510 -0.087 0.000 1.280 -1 N CA 0.000 53.014 53.050 -0.061 0.000 0.885 -1 N CB 0.000 38.457 38.487 -0.049 0.000 1.341 3 I N 4.671 125.085 120.570 -0.259 0.000 2.411 3 I HA 0.280 4.449 4.170 -0.000 0.000 0.284 3 I C -0.381 175.670 176.117 -0.111 0.000 1.012 3 I CA -1.212 59.966 61.300 -0.204 0.000 1.119 3 I CB 1.897 39.726 38.000 -0.284 0.000 1.261 3 I HN 0.185 nan 8.210 nan 0.000 0.448 4 V N 7.545 127.411 119.914 -0.080 0.000 2.383 4 V HA 0.371 4.491 4.120 -0.000 0.000 0.275 4 V C 0.219 176.284 176.094 -0.047 0.000 1.036 4 V CA -0.268 62.003 62.300 -0.048 0.000 0.889 4 V CB 1.532 33.325 31.823 -0.050 0.000 0.985 4 V HN 0.486 nan 8.190 nan 0.000 0.459 5 I N 4.750 125.302 120.570 -0.029 0.000 2.371 5 I HA 0.557 4.727 4.170 -0.000 0.000 0.282 5 I C 0.387 176.491 176.117 -0.023 0.000 1.031 5 I CA -0.212 61.064 61.300 -0.039 0.000 1.180 5 I CB 1.299 39.272 38.000 -0.045 0.000 1.336 5 I HN 0.656 nan 8.210 nan 0.000 0.467 6 A N 8.667 131.478 122.820 -0.016 0.000 3.204 6 A HA 0.599 4.918 4.320 -0.000 0.000 0.327 6 A C -2.697 174.890 177.584 0.004 0.000 0.998 6 A CA -1.266 50.765 52.037 -0.010 0.000 0.891 6 A CB -0.089 18.904 19.000 -0.012 0.000 1.061 6 A HN 0.300 nan 8.150 nan 0.000 0.478 7 P HA 0.397 nan 4.420 nan 0.000 0.283 7 P C -0.708 176.611 177.300 0.031 0.000 1.271 7 P CA -0.215 62.906 63.100 0.034 0.000 0.841 7 P CB 1.381 33.105 31.700 0.041 0.000 1.122 8 D N -0.431 120.002 120.400 0.055 0.000 2.451 8 D HA 0.196 4.836 4.640 -0.000 0.000 0.259 8 D C 0.095 176.448 176.300 0.088 0.000 1.201 8 D CA -0.145 53.886 54.000 0.052 0.000 1.028 8 D CB 0.771 41.600 40.800 0.049 0.000 1.095 8 D HN 0.352 nan 8.370 nan 0.000 0.539 9 S N -0.034 115.712 115.700 0.077 0.000 2.593 9 S HA 0.134 4.604 4.470 -0.000 0.000 0.269 9 S C -0.298 174.426 174.600 0.206 0.000 1.334 9 S CA -0.351 57.914 58.200 0.108 0.000 1.015 9 S CB 0.247 63.484 63.200 0.061 0.000 0.912 9 S HN 0.333 nan 8.310 nan 0.000 0.541 10 Y N 1.752 121.986 120.300 -0.110 0.000 2.535 10 Y HA 0.353 4.903 4.550 -0.000 0.000 0.349 10 Y C 0.780 176.663 175.900 -0.029 0.000 0.992 10 Y CA -1.088 56.897 58.100 -0.192 0.000 1.248 10 Y CB 0.267 38.387 38.460 -0.566 0.000 1.124 10 Y HN 0.526 nan 8.280 nan 0.000 0.520 11 K N 3.437 123.941 120.400 0.172 0.000 2.448 11 K HA -0.013 4.307 4.320 -0.000 0.000 0.278 11 K C 0.585 177.323 176.600 0.231 0.000 1.009 11 K CA 0.250 56.631 56.287 0.157 0.000 0.995 11 K CB 0.475 33.035 32.500 0.100 0.000 0.917 11 K HN 0.645 nan 8.250 nan 0.000 0.481 12 E N -0.658 119.636 120.200 0.157 0.000 3.628 12 E HA -0.212 4.138 4.350 -0.000 0.000 0.309 12 E C 0.383 177.095 176.600 0.187 0.000 0.839 12 E CA 1.420 57.909 56.400 0.148 0.000 1.123 12 E CB -1.556 28.219 29.700 0.124 0.000 1.568 12 E HN 0.676 nan 8.360 nan 0.000 0.440 13 S N -1.457 114.353 115.700 0.184 0.000 4.167 13 S HA 0.486 4.955 4.470 -0.000 0.000 0.168 13 S C -0.440 174.180 174.600 0.035 0.000 1.032 13 S CA -0.156 58.124 58.200 0.133 0.000 1.146 13 S CB 0.206 63.519 63.200 0.188 0.000 1.888 13 S HN 0.087 nan 8.310 nan 0.000 0.844 14 L N 3.224 124.432 121.223 -0.026 0.000 2.307 14 L HA 0.543 4.882 4.340 -0.000 0.000 0.282 14 L C 0.398 177.244 176.870 -0.041 0.000 1.051 14 L CA -0.629 54.161 54.840 -0.083 0.000 0.804 14 L CB 1.699 43.617 42.059 -0.235 0.000 1.197 14 L HN 0.625 nan 8.230 nan 0.000 0.431 15 S N 1.690 117.365 115.700 -0.041 0.000 2.600 15 S HA 0.258 4.728 4.470 -0.000 0.000 0.265 15 S C 1.257 175.834 174.600 -0.038 0.000 1.325 15 S CA -0.107 58.078 58.200 -0.026 0.000 1.002 15 S CB 1.415 64.597 63.200 -0.031 0.000 0.921 15 S HN 0.723 nan 8.310 nan 0.000 0.554 16 A N 1.138 123.946 122.820 -0.019 0.000 1.917 16 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 16 A C 2.060 179.616 177.584 -0.045 0.000 1.182 16 A CA 1.862 53.887 52.037 -0.020 0.000 0.633 16 A CB -1.067 17.925 19.000 -0.014 0.000 0.819 16 A HN 0.969 nan 8.150 nan 0.000 0.448 17 L N -0.113 121.081 121.223 -0.048 0.000 2.109 17 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 17 L C 2.154 178.982 176.870 -0.069 0.000 1.086 17 L CA 2.285 57.093 54.840 -0.053 0.000 0.760 17 L CB -0.642 41.389 42.059 -0.046 0.000 0.910 17 L HN 0.523 nan 8.230 nan 0.000 0.437 18 E N -1.012 119.140 120.200 -0.079 0.000 2.077 18 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 18 E C 2.158 178.672 176.600 -0.144 0.000 0.989 18 E CA 1.498 57.837 56.400 -0.101 0.000 0.800 18 E CB -0.207 29.433 29.700 -0.100 0.000 0.746 18 E HN 0.396 nan 8.360 nan 0.000 0.452 19 V N 1.528 121.337 119.914 -0.175 0.000 2.287 19 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 19 V C 2.372 178.379 176.094 -0.145 0.000 1.053 19 V CA 1.953 64.110 62.300 -0.238 0.000 1.027 19 V CB -0.791 30.872 31.823 -0.266 0.000 0.646 19 V HN 0.332 nan 8.190 nan 0.000 0.447 20 A N -0.338 122.425 122.820 -0.095 0.000 1.933 20 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 20 A C 2.380 179.914 177.584 -0.083 0.000 1.175 20 A CA 2.458 54.452 52.037 -0.072 0.000 0.628 20 A CB -0.879 18.090 19.000 -0.051 0.000 0.814 20 A HN 0.527 nan 8.150 nan 0.000 0.444 21 T N 0.093 114.594 114.554 -0.088 0.000 2.812 21 T HA 0.072 4.422 4.350 -0.000 0.000 0.264 21 T C 2.229 176.871 174.700 -0.097 0.000 1.042 21 T CA 1.323 63.370 62.100 -0.090 0.000 1.140 21 T CB -0.366 68.455 68.868 -0.078 0.000 0.870 21 T HN 0.575 nan 8.240 nan 0.000 0.445 22 A N 1.172 123.929 122.820 -0.104 0.000 1.930 22 A HA 0.016 4.335 4.320 -0.000 0.000 0.217 22 A C 2.266 179.810 177.584 -0.066 0.000 1.175 22 A CA 1.049 53.027 52.037 -0.098 0.000 0.627 22 A CB -0.754 18.166 19.000 -0.132 0.000 0.815 22 A HN 0.504 nan 8.150 nan 0.000 0.443 23 I N -0.675 119.862 120.570 -0.054 0.000 2.179 23 I HA -0.274 3.895 4.170 -0.000 0.000 0.242 23 I C 2.596 178.728 176.117 0.025 0.000 1.088 23 I CA 1.886 63.200 61.300 0.024 0.000 1.357 23 I CB -0.357 37.645 38.000 0.003 0.000 1.051 23 I HN 0.526 nan 8.210 nan 0.000 0.409 24 E N 0.643 120.777 120.200 -0.109 0.000 2.085 24 E HA -0.276 4.073 4.350 -0.000 0.000 0.194 24 E C 2.251 178.701 176.600 -0.251 0.000 0.994 24 E CA 1.238 57.462 56.400 -0.294 0.000 0.801 24 E CB 0.017 29.508 29.700 -0.349 0.000 0.743 24 E HN 0.452 nan 8.360 nan 0.000 0.453 25 Q N -0.482 119.232 119.800 -0.143 0.000 2.096 25 Q HA -0.152 4.187 4.340 -0.000 0.000 0.204 25 Q C 2.194 178.158 176.000 -0.061 0.000 0.982 25 Q CA 1.513 57.255 55.803 -0.101 0.000 0.850 25 Q CB -0.313 28.378 28.738 -0.078 0.000 0.901 25 Q HN 0.430 nan 8.270 nan 0.000 0.422 26 G N -0.194 108.591 108.800 -0.025 0.000 2.421 26 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 26 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 26 G C 1.150 176.025 174.900 -0.042 0.000 1.171 26 G CA 0.387 45.468 45.100 -0.032 0.000 0.775 26 G HN 0.231 nan 8.290 nan 0.000 0.543 27 F N 0.909 120.804 119.950 -0.092 0.000 2.171 27 F HA 0.061 4.587 4.527 -0.001 0.000 0.300 27 F C 2.912 178.742 175.800 0.050 0.000 1.090 27 F CA 1.194 59.196 58.000 0.003 0.000 1.293 27 F CB -0.040 39.069 39.000 0.182 0.000 1.013 27 F HN -0.020 nan 8.300 nan 0.000 0.486 28 R N 0.115 120.677 120.500 0.103 0.000 2.189 28 R HA -0.139 4.201 4.340 -0.000 0.000 0.223 28 R C 1.887 178.220 176.300 0.056 0.000 1.092 28 R CA 1.119 57.278 56.100 0.099 0.000 0.989 28 R CB -0.354 29.923 30.300 -0.038 0.000 0.876 28 R HN 0.406 nan 8.270 nan 0.000 0.457 29 E N 0.016 120.204 120.200 -0.020 0.000 2.209 29 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 29 E C 1.417 177.965 176.600 -0.087 0.000 0.993 29 E CA 0.781 57.146 56.400 -0.058 0.000 0.819 29 E CB 0.178 29.820 29.700 -0.096 0.000 0.745 29 E HN 0.274 nan 8.360 nan 0.000 0.477 30 I N -1.410 119.075 120.570 -0.143 0.000 3.718 30 I HA -0.008 4.161 4.170 -0.000 0.000 0.297 30 I C 0.334 176.369 176.117 -0.137 0.000 1.220 30 I CA 0.523 61.647 61.300 -0.293 0.000 1.381 30 I CB 0.124 37.724 38.000 -0.666 0.000 1.238 30 I HN 0.138 nan 8.210 nan 0.000 0.448 31 W N 3.476 124.839 121.300 0.105 0.000 2.148 31 W HA 0.377 5.037 4.660 -0.000 0.000 0.288 31 W C -1.833 174.823 176.519 0.228 0.000 0.920 31 W CA -2.389 55.054 57.345 0.163 0.000 1.904 31 W CB -0.094 29.499 29.460 0.222 0.000 2.083 31 W HN -0.001 nan 8.180 nan 0.000 0.398 32 P HA -0.131 nan 4.420 nan 0.000 0.220 32 P C 0.654 178.110 177.300 0.261 0.000 1.148 32 P CA 1.740 64.988 63.100 0.247 0.000 0.803 32 P CB 0.499 32.285 31.700 0.144 0.000 0.782 33 D N -1.077 119.456 120.400 0.223 0.000 2.368 33 D HA 0.227 4.866 4.640 -0.000 0.000 0.218 33 D C 0.830 177.167 176.300 0.063 0.000 1.112 33 D CA -0.092 53.988 54.000 0.133 0.000 0.834 33 D CB 0.316 41.163 40.800 0.078 0.000 0.953 33 D HN 0.095 nan 8.370 nan 0.000 0.505 34 A N 0.825 123.681 122.820 0.060 0.000 2.346 34 A HA 0.133 4.452 4.320 -0.000 0.000 0.252 34 A C 0.249 177.652 177.584 -0.302 0.000 1.089 34 A CA -0.219 51.670 52.037 -0.246 0.000 0.797 34 A CB 0.575 19.276 19.000 -0.498 0.000 1.047 34 A HN -0.087 nan 8.150 nan 0.000 0.494 35 D N 0.373 120.557 120.400 -0.360 0.000 2.428 35 D HA 0.367 5.006 4.640 -0.000 0.000 0.221 35 D C -1.390 174.714 176.300 -0.327 0.000 1.123 35 D CA 0.199 54.065 54.000 -0.223 0.000 0.869 35 D CB -0.173 40.535 40.800 -0.153 0.000 1.032 35 D HN 0.302 nan 8.370 nan 0.000 0.506 36 Y N 2.697 122.990 120.300 -0.012 0.000 2.320 36 Y HA 0.354 4.904 4.550 -0.000 0.000 0.334 36 Y C 0.213 176.094 175.900 -0.032 0.000 1.055 36 Y CA -1.033 57.051 58.100 -0.027 0.000 1.143 36 Y CB 1.430 39.882 38.460 -0.012 0.000 1.193 36 Y HN 0.256 nan 8.280 nan 0.000 0.477 37 L N 5.259 126.528 121.223 0.077 0.000 2.318 37 L HA 0.471 4.811 4.340 -0.000 0.000 0.277 37 L C -1.009 175.881 176.870 0.034 0.000 1.008 37 L CA -1.053 53.811 54.840 0.040 0.000 0.846 37 L CB 0.565 42.623 42.059 -0.002 0.000 1.220 37 L HN 0.466 nan 8.230 nan 0.000 0.423 38 K N 5.204 125.622 120.400 0.031 0.000 2.234 38 K HA 0.502 4.822 4.320 -0.000 0.000 0.282 38 K C -1.115 175.481 176.600 -0.006 0.000 1.039 38 K CA -0.537 55.752 56.287 0.005 0.000 0.928 38 K CB 1.497 33.993 32.500 -0.006 0.000 1.039 38 K HN 0.478 nan 8.250 nan 0.000 0.470 39 L N 5.852 127.066 121.223 -0.015 0.000 2.529 39 L HA 0.263 4.603 4.340 -0.000 0.000 0.258 39 L C -2.579 174.274 176.870 -0.028 0.000 1.032 39 L CA -1.888 52.939 54.840 -0.021 0.000 0.899 39 L CB 1.481 43.529 42.059 -0.018 0.000 1.174 39 L HN 0.407 nan 8.230 nan 0.000 0.458 40 P HA 0.131 nan 4.420 nan 0.000 0.271 40 P C -0.613 176.660 177.300 -0.045 0.000 1.233 40 P CA 0.236 63.313 63.100 -0.037 0.000 0.764 40 P CB 0.772 32.446 31.700 -0.044 0.000 0.825 41 L N 2.742 123.946 121.223 -0.031 0.000 2.376 41 L HA 0.866 5.205 4.340 -0.000 0.000 0.267 41 L C 0.599 177.453 176.870 -0.027 0.000 1.035 41 L CA -0.906 53.914 54.840 -0.033 0.000 0.800 41 L CB 1.515 43.562 42.059 -0.019 0.000 1.290 41 L HN 0.407 nan 8.230 nan 0.000 0.462 42 A N -0.114 122.689 122.820 -0.028 0.000 2.610 42 A HA 0.503 4.823 4.320 -0.000 0.000 0.291 42 A C -1.280 176.298 177.584 -0.010 0.000 1.086 42 A CA -0.451 51.575 52.037 -0.018 0.000 0.677 42 A CB 1.435 20.414 19.000 -0.035 0.000 1.278 42 A HN 0.758 nan 8.150 nan 0.000 0.414 43 D N -0.945 119.457 120.400 0.003 0.000 2.402 43 D HA 0.394 5.034 4.640 -0.000 0.000 0.216 43 D C 1.043 177.348 176.300 0.008 0.000 1.128 43 D CA 0.923 54.928 54.000 0.009 0.000 0.833 43 D CB 0.349 41.163 40.800 0.024 0.000 0.971 43 D HN 1.868 nan 8.370 nan 0.000 0.503 44 G N -0.934 107.866 108.800 0.001 0.000 2.217 44 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.246 44 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.246 44 G C 0.729 175.632 174.900 0.006 0.000 0.990 44 G CA 0.036 45.137 45.100 0.001 0.000 0.627 44 G HN 0.794 nan 8.290 nan 0.000 0.522 45 G N -0.376 108.432 108.800 0.013 0.000 2.531 45 G HA2 0.514 4.474 3.960 -0.000 0.000 0.253 45 G HA3 0.514 4.474 3.960 -0.000 0.000 0.253 45 G C 0.006 174.924 174.900 0.030 0.000 1.439 45 G CA 0.212 45.323 45.100 0.019 0.000 1.056 45 G HN 0.519 nan 8.290 nan 0.000 0.555 46 E N -0.452 119.771 120.200 0.038 0.000 2.529 46 E HA 0.294 4.644 4.350 -0.000 0.000 0.259 46 E C 1.270 177.902 176.600 0.053 0.000 0.966 46 E CA 1.171 57.605 56.400 0.057 0.000 0.937 46 E CB -0.012 29.722 29.700 0.056 0.000 0.923 46 E HN 0.970 nan 8.360 nan 0.000 0.468 47 G N 3.030 111.870 108.800 0.068 0.000 2.195 47 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.246 47 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.246 47 G C 1.057 175.972 174.900 0.024 0.000 0.984 47 G CA 0.478 45.604 45.100 0.043 0.000 0.633 47 G HN 0.616 nan 8.290 nan 0.000 0.525 48 T N 0.767 115.338 114.554 0.028 0.000 2.746 48 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 48 T C 2.533 177.213 174.700 -0.032 0.000 1.039 48 T CA 1.907 64.000 62.100 -0.012 0.000 1.142 48 T CB -0.241 68.625 68.868 -0.004 0.000 0.866 48 T HN 0.327 nan 8.240 nan 0.000 0.444 49 V N 1.483 121.439 119.914 0.070 0.000 2.261 49 V HA -0.149 3.970 4.120 -0.000 0.000 0.246 49 V C 2.761 178.879 176.094 0.041 0.000 1.047 49 V CA 1.597 63.975 62.300 0.130 0.000 1.015 49 V CB -0.513 31.514 31.823 0.340 0.000 0.642 49 V HN 0.381 nan 8.190 nan 0.000 0.446 50 E N 0.328 120.548 120.200 0.033 0.000 2.058 50 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 50 E C 1.434 177.996 176.600 -0.063 0.000 0.997 50 E CA 1.195 57.580 56.400 -0.024 0.000 0.801 50 E CB -0.530 29.146 29.700 -0.040 0.000 0.746 50 E HN 0.596 nan 8.360 nan 0.000 0.450 54 E N 1.496 121.673 120.200 -0.038 0.000 2.031 54 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 54 E C 2.192 178.778 176.600 -0.024 0.000 0.994 54 E CA 1.722 58.105 56.400 -0.027 0.000 0.800 54 E CB -0.233 29.444 29.700 -0.039 0.000 0.752 54 E HN 0.631 nan 8.360 nan 0.000 0.447 55 A N 0.970 123.759 122.820 -0.052 0.000 1.940 55 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 55 A C 2.325 179.910 177.584 0.001 0.000 1.176 55 A CA 2.125 54.138 52.037 -0.039 0.000 0.631 55 A CB -0.852 18.100 19.000 -0.079 0.000 0.814 55 A HN 0.404 nan 8.150 nan 0.000 0.446 56 T N -4.707 109.859 114.554 0.021 0.000 3.105 56 T HA 0.504 4.853 4.350 -0.000 0.000 0.253 56 T C 0.768 175.524 174.700 0.094 0.000 1.047 56 T CA 0.942 63.097 62.100 0.092 0.000 0.944 56 T CB -0.158 68.832 68.868 0.203 0.000 1.016 56 T HN 1.796 nan 8.240 nan 0.000 0.544 57 A N -0.082 122.774 122.820 0.060 0.000 2.783 57 A HA 0.051 4.371 4.320 -0.000 0.000 0.292 57 A C 0.996 178.621 177.584 0.069 0.000 1.495 57 A CA 0.799 52.868 52.037 0.053 0.000 0.787 57 A CB -2.093 16.935 19.000 0.047 0.000 1.017 57 A HN 1.130 nan 8.150 nan 0.000 0.516 58 G N -0.718 108.139 108.800 0.096 0.000 2.574 58 G HA2 0.715 4.674 3.960 -0.000 0.000 0.248 58 G HA3 0.715 4.674 3.960 -0.000 0.000 0.248 58 G C 0.042 174.983 174.900 0.068 0.000 1.422 58 G CA -0.249 44.918 45.100 0.112 0.000 1.051 58 G HN 1.472 nan 8.290 nan 0.000 0.560 59 R N -1.705 118.829 120.500 0.057 0.000 2.771 59 R HA 0.591 4.931 4.340 -0.000 0.000 0.274 59 R C -1.234 175.053 176.300 -0.022 0.000 0.987 59 R CA -0.909 55.198 56.100 0.012 0.000 0.908 59 R CB 1.555 31.850 30.300 -0.007 0.000 1.213 59 R HN 0.251 nan 8.270 nan 0.000 0.468 60 I N 2.751 123.292 120.570 -0.048 0.000 2.342 60 I HA 0.230 4.399 4.170 -0.000 0.000 0.291 60 I C -0.192 175.811 176.117 -0.190 0.000 1.010 60 I CA -0.837 60.385 61.300 -0.130 0.000 1.308 60 I CB 1.601 39.493 38.000 -0.181 0.000 1.400 60 I HN 0.437 nan 8.210 nan 0.000 0.488 61 V N 6.884 126.570 119.914 -0.379 0.000 2.328 61 V HA 0.235 4.355 4.120 -0.000 0.000 0.278 61 V C -0.193 175.738 176.094 -0.273 0.000 1.021 61 V CA -0.761 61.318 62.300 -0.368 0.000 0.838 61 V CB 0.664 32.054 31.823 -0.723 0.000 0.999 61 V HN 0.600 nan 8.190 nan 0.000 0.447 62 H N 2.655 121.700 119.070 -0.042 0.000 2.582 62 H HA 0.714 5.270 4.556 -0.000 0.000 0.345 62 H C -0.139 175.210 175.328 0.034 0.000 1.104 62 H CA -0.160 55.920 56.048 0.053 0.000 1.390 62 H CB 1.601 31.387 29.762 0.041 0.000 1.461 62 H HN 0.464 nan 8.280 nan 0.000 0.551 63 V N 2.596 122.613 119.914 0.171 0.000 2.950 63 V HA 0.142 4.261 4.120 -0.000 0.000 0.295 63 V C -1.080 175.074 176.094 0.100 0.000 1.297 63 V CA -0.794 61.553 62.300 0.078 0.000 0.962 63 V CB 2.143 33.949 31.823 -0.029 0.000 1.081 63 V HN 0.790 nan 8.190 nan 0.000 0.432 64 E N 3.580 123.829 120.200 0.082 0.000 2.289 64 E HA 0.529 4.879 4.350 -0.000 0.000 0.278 64 E C -0.533 176.142 176.600 0.126 0.000 1.032 64 E CA 0.097 56.556 56.400 0.098 0.000 0.854 64 E CB 1.794 31.542 29.700 0.079 0.000 1.046 64 E HN 0.781 nan 8.360 nan 0.000 0.409 65 V N 0.029 120.019 119.914 0.127 0.000 3.167 65 V HA 0.487 4.607 4.120 -0.000 0.000 0.310 65 V C 0.032 176.197 176.094 0.118 0.000 1.207 65 V CA -1.059 61.331 62.300 0.151 0.000 1.059 65 V CB 1.682 33.597 31.823 0.152 0.000 1.079 65 V HN 0.482 nan 8.190 nan 0.000 0.446 66 T N 2.208 116.842 114.554 0.133 0.000 2.799 66 T HA 0.530 4.879 4.350 -0.000 0.000 0.296 66 T C 0.587 175.334 174.700 0.080 0.000 0.947 66 T CA 0.742 62.886 62.100 0.074 0.000 1.141 66 T CB 0.537 69.412 68.868 0.012 0.000 0.891 66 T HN 1.265 nan 8.240 nan 0.000 0.533 67 G N 3.605 112.432 108.800 0.045 0.000 2.543 67 G HA2 0.393 4.353 3.960 -0.000 0.000 0.290 67 G HA3 0.393 4.353 3.960 -0.000 0.000 0.290 67 G C -1.546 173.355 174.900 0.003 0.000 1.310 67 G CA -1.407 43.715 45.100 0.038 0.000 1.025 67 G HN 0.372 nan 8.290 nan 0.000 0.502 68 P HA 0.015 nan 4.420 nan 0.000 0.221 68 P C 1.396 178.660 177.300 -0.059 0.000 1.150 68 P CA 0.798 63.890 63.100 -0.014 0.000 0.800 68 P CB 0.192 31.892 31.700 -0.001 0.000 0.787 69 L N -2.157 119.000 121.223 -0.109 0.000 2.628 69 L HA 0.376 4.715 4.340 -0.000 0.000 0.229 69 L C 1.245 177.847 176.870 -0.446 0.000 1.137 69 L CA 0.480 55.184 54.840 -0.226 0.000 0.909 69 L CB -0.611 41.340 42.059 -0.181 0.000 1.137 69 L HN 0.099 nan 8.230 nan 0.000 0.470 70 G N -0.460 108.143 108.800 -0.328 0.000 2.131 70 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.223 70 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.223 70 G C -0.009 174.723 174.900 -0.281 0.000 0.990 70 G CA -0.212 44.704 45.100 -0.308 0.000 0.671 70 G HN 0.506 nan 8.290 nan 0.000 0.521 71 H N -0.410 118.637 119.070 -0.037 0.000 2.559 71 H HA 0.672 5.227 4.556 -0.001 0.000 0.343 71 H C 0.644 175.964 175.328 -0.012 0.000 1.209 71 H CA -1.018 55.013 56.048 -0.028 0.000 1.287 71 H CB 0.721 30.474 29.762 -0.014 0.000 1.650 71 H HN 0.019 nan 8.280 nan 0.000 0.567 72 R N 1.655 122.236 120.500 0.135 0.000 2.347 72 R HA 0.191 4.531 4.340 -0.000 0.000 0.304 72 R C -0.707 175.648 176.300 0.091 0.000 1.072 72 R CA -0.276 55.875 56.100 0.086 0.000 0.980 72 R CB 0.630 30.967 30.300 0.062 0.000 0.986 72 R HN 0.427 nan 8.270 nan 0.000 0.448 73 V N 0.141 120.107 119.914 0.088 0.000 2.864 73 V HA 0.436 4.556 4.120 -0.000 0.000 0.314 73 V C -0.207 175.945 176.094 0.097 0.000 1.073 73 V CA -1.351 61.002 62.300 0.088 0.000 0.956 73 V CB 2.185 34.060 31.823 0.086 0.000 1.023 73 V HN 0.578 nan 8.190 nan 0.000 0.435 74 N N 1.822 120.587 118.700 0.107 0.000 2.422 74 N HA 0.713 5.453 4.740 -0.000 0.000 0.264 74 N C -0.186 175.431 175.510 0.178 0.000 1.063 74 N CA 0.573 53.706 53.050 0.140 0.000 0.959 74 N CB 1.366 39.939 38.487 0.142 0.000 1.087 74 N HN 1.244 nan 8.380 nan 0.000 0.483 75 A N 2.353 125.279 122.820 0.177 0.000 2.414 75 A HA 0.875 5.194 4.320 -0.000 0.000 0.278 75 A C -1.287 176.432 177.584 0.224 0.000 1.228 75 A CA -0.571 51.551 52.037 0.141 0.000 0.857 75 A CB 0.638 19.660 19.000 0.037 0.000 1.389 75 A HN 0.680 nan 8.150 nan 0.000 0.452 76 F N -2.635 117.330 119.950 0.024 0.000 2.678 76 F HA 0.738 5.265 4.527 -0.001 0.000 0.308 76 F C -1.158 174.682 175.800 0.067 0.000 1.118 76 F CA -1.236 56.711 58.000 -0.088 0.000 0.959 76 F CB 0.843 39.630 39.000 -0.354 0.000 1.305 76 F HN 0.857 nan 8.300 nan 0.000 0.443 77 Y N 0.154 120.467 120.300 0.022 0.000 2.634 77 Y HA 0.985 5.535 4.550 -0.001 0.000 0.340 77 Y C -0.473 175.510 175.900 0.140 0.000 1.058 77 Y CA -2.073 56.039 58.100 0.020 0.000 1.081 77 Y CB 1.429 39.868 38.460 -0.035 0.000 1.295 77 Y HN 0.989 nan 8.280 nan 0.000 0.487 78 G N 1.466 110.397 108.800 0.218 0.000 2.420 78 G HA2 0.649 4.609 3.960 -0.000 0.000 0.331 78 G HA3 0.649 4.609 3.960 -0.000 0.000 0.331 78 G C -1.871 173.069 174.900 0.067 0.000 1.168 78 G CA -1.073 44.138 45.100 0.186 0.000 0.936 78 G HN 0.735 nan 8.290 nan 0.000 0.479 79 L N 1.297 122.522 121.223 0.004 0.000 2.362 79 L HA 0.435 4.774 4.340 -0.000 0.000 0.271 79 L C 0.895 177.787 176.870 0.037 0.000 1.002 79 L CA -0.931 53.855 54.840 -0.090 0.000 0.818 79 L CB 2.328 44.370 42.059 -0.029 0.000 1.298 79 L HN 0.733 nan 8.230 nan 0.000 0.420 80 S N 0.943 116.623 115.700 -0.033 0.000 2.589 80 S HA 0.129 4.599 4.470 -0.000 0.000 0.265 80 S C 1.259 175.935 174.600 0.126 0.000 1.342 80 S CA -0.074 58.249 58.200 0.206 0.000 1.005 80 S CB 1.272 64.592 63.200 0.200 0.000 0.909 80 S HN 0.815 nan 8.310 nan 0.000 0.555 81 G N 1.371 110.252 108.800 0.135 0.000 2.491 81 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.218 81 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.218 81 G C 0.946 175.887 174.900 0.068 0.000 1.180 81 G CA 1.104 46.256 45.100 0.087 0.000 0.774 81 G HN 0.953 nan 8.290 nan 0.000 0.562 82 D N -0.009 120.437 120.400 0.077 0.000 2.378 82 D HA 0.251 4.891 4.640 -0.000 0.000 0.222 82 D C 1.635 177.963 176.300 0.048 0.000 0.980 82 D CA 1.155 55.191 54.000 0.060 0.000 0.907 82 D CB -0.398 40.442 40.800 0.066 0.000 0.899 82 D HN 0.890 nan 8.370 nan 0.000 0.527 83 A N -0.455 122.391 122.820 0.043 0.000 3.021 83 A HA -0.327 3.992 4.320 -0.000 0.000 0.257 83 A C 1.519 179.114 177.584 0.018 0.000 1.277 83 A CA 1.330 53.382 52.037 0.025 0.000 1.012 83 A CB -2.464 16.554 19.000 0.029 0.000 1.147 83 A HN 0.405 nan 8.150 nan 0.000 0.861 84 R N -0.446 120.072 120.500 0.030 0.000 2.312 84 R HA 0.290 4.630 4.340 -0.000 0.000 0.205 84 R C 0.093 176.416 176.300 0.037 0.000 0.904 84 R CA 0.917 57.042 56.100 0.041 0.000 1.052 84 R CB 0.382 30.719 30.300 0.062 0.000 1.014 84 R HN 0.404 nan 8.270 nan 0.000 0.503 85 S N -0.237 115.443 115.700 -0.034 0.000 2.536 85 S HA 0.698 5.168 4.470 -0.000 0.000 0.287 85 S C -1.187 173.097 174.600 -0.527 0.000 1.101 85 S CA -0.776 57.327 58.200 -0.161 0.000 0.950 85 S CB 2.222 65.418 63.200 -0.007 0.000 1.056 85 S HN 0.259 nan 8.310 nan 0.000 0.481 86 A N 2.178 124.669 122.820 -0.548 0.000 2.355 86 A HA 0.910 5.229 4.320 -0.000 0.000 0.324 86 A C -1.492 175.712 177.584 -0.634 0.000 1.117 86 A CA -0.555 51.148 52.037 -0.556 0.000 0.785 86 A CB 0.502 19.394 19.000 -0.179 0.000 1.254 86 A HN 0.592 nan 8.150 nan 0.000 0.453 87 F N 1.153 121.145 119.950 0.070 0.000 2.493 87 F HA 0.673 5.199 4.527 -0.000 0.000 0.329 87 F C -0.204 175.623 175.800 0.046 0.000 1.126 87 F CA -0.817 57.200 58.000 0.027 0.000 0.937 87 F CB 1.536 40.560 39.000 0.041 0.000 1.146 87 F HN 0.290 nan 8.300 nan 0.000 0.442 88 I N 2.658 123.305 120.570 0.128 0.000 2.499 88 I HA 0.360 4.530 4.170 -0.000 0.000 0.288 88 I C -0.462 175.646 176.117 -0.014 0.000 1.048 88 I CA -0.558 60.755 61.300 0.020 0.000 1.062 88 I CB 2.303 40.274 38.000 -0.049 0.000 1.238 88 I HN 0.617 nan 8.210 nan 0.000 0.426 92 A N 0.561 123.303 122.820 -0.130 0.000 1.908 92 A HA 0.216 4.536 4.320 -0.000 0.000 0.218 92 A C 2.269 179.807 177.584 -0.077 0.000 1.181 92 A CA 2.781 54.714 52.037 -0.172 0.000 0.627 92 A CB -0.709 17.915 19.000 -0.627 0.000 0.818 92 A HN 1.589 nan 8.150 nan 0.000 0.445 93 A N -1.932 120.842 122.820 -0.077 0.000 1.924 93 A HA 0.290 4.610 4.320 -0.000 0.000 0.211 93 A C 1.677 179.263 177.584 0.003 0.000 1.198 93 A CA 1.395 53.423 52.037 -0.016 0.000 0.657 93 A CB 0.104 19.095 19.000 -0.015 0.000 0.852 93 A HN 0.478 nan 8.150 nan 0.000 0.454 94 S N -0.346 115.347 115.700 -0.013 0.000 2.941 94 S HA 0.421 4.891 4.470 -0.000 0.000 0.251 94 S C 0.451 175.047 174.600 -0.007 0.000 1.029 94 S CA -0.021 58.176 58.200 -0.005 0.000 1.062 94 S CB 0.595 63.787 63.200 -0.013 0.000 0.977 94 S HN 0.666 nan 8.310 nan 0.000 0.552 95 G N 0.391 109.191 108.800 -0.000 0.000 2.437 95 G HA2 0.558 4.518 3.960 -0.000 0.000 0.319 95 G HA3 0.558 4.518 3.960 -0.000 0.000 0.319 95 G C 0.703 175.613 174.900 0.016 0.000 1.158 95 G CA -0.731 44.372 45.100 0.004 0.000 0.899 95 G HN 0.308 nan 8.290 nan 0.000 0.502 96 L N -0.103 121.130 121.223 0.017 0.000 2.089 96 L HA -0.149 4.191 4.340 -0.000 0.000 0.213 96 L C 2.648 179.536 176.870 0.030 0.000 1.079 96 L CA 1.444 56.298 54.840 0.024 0.000 0.758 96 L CB -0.016 42.059 42.059 0.027 0.000 0.891 96 L HN 0.645 nan 8.230 nan 0.000 0.433 97 E N -0.845 119.376 120.200 0.035 0.000 2.481 97 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 97 E C 1.530 178.157 176.600 0.046 0.000 1.047 97 E CA 0.063 56.488 56.400 0.041 0.000 0.867 97 E CB 0.232 29.959 29.700 0.046 0.000 0.858 97 E HN 0.473 nan 8.360 nan 0.000 0.513 98 Q N 0.154 119.981 119.800 0.045 0.000 2.415 98 Q HA 0.035 4.374 4.340 -0.000 0.000 0.206 98 Q C -0.210 175.820 176.000 0.049 0.000 0.946 98 Q CA 0.376 56.209 55.803 0.051 0.000 0.951 98 Q CB 0.829 29.596 28.738 0.049 0.000 1.026 98 Q HN 0.035 nan 8.270 nan 0.000 0.510 99 V N 2.629 122.569 119.914 0.042 0.000 2.380 99 V HA 0.255 4.374 4.120 -0.000 0.000 0.286 99 V C -2.345 173.771 176.094 0.037 0.000 1.015 99 V CA -1.969 60.355 62.300 0.040 0.000 0.834 99 V CB 1.549 33.390 31.823 0.030 0.000 1.009 99 V HN -0.010 nan 8.190 nan 0.000 0.428 100 P HA 0.140 nan 4.420 nan 0.000 0.265 100 P C -1.914 175.402 177.300 0.028 0.000 1.193 100 P CA -1.073 62.046 63.100 0.032 0.000 0.765 100 P CB 0.270 31.988 31.700 0.031 0.000 0.823 101 P HA -0.217 nan 4.420 nan 0.000 0.218 101 P C 0.748 178.060 177.300 0.020 0.000 1.154 101 P CA 1.856 64.969 63.100 0.021 0.000 0.872 101 P CB -0.424 31.287 31.700 0.019 0.000 0.790 102 A N -0.454 122.377 122.820 0.019 0.000 2.543 102 A HA 0.032 4.352 4.320 -0.000 0.000 0.258 102 A C 0.891 178.487 177.584 0.021 0.000 1.391 102 A CA 0.194 52.241 52.037 0.017 0.000 1.066 102 A CB -0.949 18.060 19.000 0.015 0.000 0.972 102 A HN 0.291 nan 8.150 nan 0.000 0.560 103 Q N -0.251 119.563 119.800 0.023 0.000 1.989 103 Q HA 0.126 4.465 4.340 -0.000 0.000 0.215 103 Q C -0.654 175.359 176.000 0.021 0.000 0.809 103 Q CA -0.250 55.569 55.803 0.026 0.000 1.024 103 Q CB 0.560 29.322 28.738 0.039 0.000 1.236 103 Q HN 0.570 nan 8.270 nan 0.000 0.429 104 R N 1.880 122.391 120.500 0.018 0.000 2.220 104 R HA 0.249 4.589 4.340 -0.000 0.000 0.340 104 R C -0.760 175.547 176.300 0.012 0.000 1.076 104 R CA -0.197 55.912 56.100 0.016 0.000 0.920 104 R CB 0.475 30.786 30.300 0.019 0.000 1.062 104 R HN -0.027 nan 8.270 nan 0.000 0.469 105 D N 4.391 124.795 120.400 0.006 0.000 2.469 105 D HA 0.201 4.841 4.640 -0.000 0.000 0.251 105 D C -1.861 174.439 176.300 -0.000 0.000 1.173 105 D CA -2.407 51.594 54.000 0.003 0.000 0.882 105 D CB 1.940 42.739 40.800 -0.002 0.000 1.129 105 D HN 0.174 nan 8.370 nan 0.000 0.549 106 P HA 0.064 nan 4.420 nan 0.000 0.245 106 P C 1.437 178.734 177.300 -0.004 0.000 1.212 106 P CA 0.188 63.290 63.100 0.003 0.000 0.774 106 P CB 0.407 32.115 31.700 0.014 0.000 0.999 107 L N -0.719 120.500 121.223 -0.006 0.000 2.240 107 L HA 0.004 4.344 4.340 -0.000 0.000 0.211 107 L C 2.129 178.987 176.870 -0.019 0.000 1.106 107 L CA 1.163 55.996 54.840 -0.012 0.000 0.793 107 L CB -0.591 41.463 42.059 -0.009 0.000 0.927 107 L HN -0.023 nan 8.230 nan 0.000 0.446 108 K N -0.328 120.060 120.400 -0.020 0.000 2.348 108 K HA 0.103 4.423 4.320 -0.000 0.000 0.194 108 K C 0.882 177.460 176.600 -0.037 0.000 1.052 108 K CA 0.293 56.561 56.287 -0.031 0.000 1.004 108 K CB 0.248 32.728 32.500 -0.033 0.000 0.873 108 K HN 0.315 nan 8.250 nan 0.000 0.523 109 T N 0.461 114.999 114.554 -0.027 0.000 2.919 109 T HA 0.150 4.500 4.350 -0.000 0.000 0.302 109 T C 0.240 174.928 174.700 -0.019 0.000 1.031 109 T CA -0.262 61.822 62.100 -0.026 0.000 1.127 109 T CB 1.556 70.416 68.868 -0.014 0.000 0.952 109 T HN -0.068 nan 8.240 nan 0.000 0.540 110 T N 0.517 115.065 114.554 -0.010 0.000 2.912 110 T HA 0.465 4.815 4.350 -0.000 0.000 0.288 110 T C 1.045 175.769 174.700 0.040 0.000 1.030 110 T CA -0.391 61.723 62.100 0.024 0.000 1.020 110 T CB 1.257 70.164 68.868 0.064 0.000 1.056 110 T HN 0.815 nan 8.240 nan 0.000 0.480 111 S N 3.633 119.353 115.700 0.034 0.000 2.660 111 S HA 0.049 4.519 4.470 -0.000 0.000 0.227 111 S C 1.581 176.195 174.600 0.024 0.000 0.948 111 S CA -0.672 57.532 58.200 0.007 0.000 0.948 111 S CB -0.364 62.807 63.200 -0.049 0.000 0.779 111 S HN 0.808 nan 8.310 nan 0.000 0.487 112 W N 2.764 124.015 121.300 -0.082 0.000 2.318 112 W HA -0.149 4.510 4.660 -0.001 0.000 0.313 112 W C 1.893 178.368 176.519 -0.073 0.000 1.221 112 W CA 2.002 59.299 57.345 -0.080 0.000 1.266 112 W CB -1.023 28.396 29.460 -0.069 0.000 1.150 112 W HN 0.500 nan 8.180 nan 0.000 0.496 113 G N -0.463 108.478 108.800 0.234 0.000 2.470 113 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.220 113 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.220 113 G C 1.432 176.339 174.900 0.012 0.000 1.121 113 G CA 1.469 46.654 45.100 0.141 0.000 0.766 113 G HN 0.287 nan 8.290 nan 0.000 0.553 114 T N 0.849 115.377 114.554 -0.042 0.000 2.777 114 T HA -0.025 4.325 4.350 -0.000 0.000 0.266 114 T C 2.527 177.136 174.700 -0.153 0.000 1.040 114 T CA 1.296 63.339 62.100 -0.096 0.000 1.141 114 T CB -0.414 68.396 68.868 -0.096 0.000 0.868 114 T HN 0.336 nan 8.240 nan 0.000 0.444 115 G N 1.380 110.051 108.800 -0.214 0.000 2.418 115 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.217 115 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.217 115 G C 1.450 176.176 174.900 -0.290 0.000 1.158 115 G CA 0.661 45.579 45.100 -0.303 0.000 0.771 115 G HN 0.519 nan 8.290 nan 0.000 0.545 116 E N 0.099 120.163 120.200 -0.227 0.000 2.077 116 E HA -0.048 4.302 4.350 -0.000 0.000 0.193 116 E C 2.578 179.045 176.600 -0.221 0.000 0.989 116 E CA 0.532 56.805 56.400 -0.212 0.000 0.800 116 E CB -0.206 29.495 29.700 0.002 0.000 0.746 116 E HN 0.390 nan 8.360 nan 0.000 0.452 117 L N 0.692 121.859 121.223 -0.093 0.000 2.046 117 L HA -0.211 4.128 4.340 -0.000 0.000 0.208 117 L C 2.478 179.174 176.870 -0.289 0.000 1.077 117 L CA 1.028 55.792 54.840 -0.126 0.000 0.747 117 L CB -0.412 41.584 42.059 -0.104 0.000 0.896 117 L HN 0.156 nan 8.230 nan 0.000 0.432 118 I N -0.497 119.926 120.570 -0.246 0.000 2.179 118 I HA -0.323 3.846 4.170 -0.000 0.000 0.242 118 I C 2.834 178.794 176.117 -0.262 0.000 1.088 118 I CA 1.263 62.418 61.300 -0.241 0.000 1.357 118 I CB -0.322 37.561 38.000 -0.196 0.000 1.051 118 I HN 0.207 nan 8.210 nan 0.000 0.409 119 R N 0.146 120.468 120.500 -0.297 0.000 2.083 119 R HA -0.215 4.125 4.340 -0.000 0.000 0.237 119 R C 2.524 178.640 176.300 -0.307 0.000 1.137 119 R CA 1.669 57.583 56.100 -0.311 0.000 0.951 119 R CB -0.272 29.805 30.300 -0.372 0.000 0.851 119 R HN 0.416 nan 8.270 nan 0.000 0.434 120 H N -0.342 118.580 119.070 -0.247 0.000 2.387 120 H HA -0.034 4.521 4.556 -0.000 0.000 0.299 120 H C 1.968 177.079 175.328 -0.363 0.000 1.090 120 H CA 1.452 57.336 56.048 -0.274 0.000 1.332 120 H CB -0.403 29.153 29.762 -0.344 0.000 1.386 120 H HN 0.420 nan 8.280 nan 0.000 0.516 121 A N 1.263 123.823 122.820 -0.434 0.000 1.877 121 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 121 A C 2.734 180.239 177.584 -0.133 0.000 1.186 121 A CA 1.192 53.043 52.037 -0.309 0.000 0.620 121 A CB -0.968 17.843 19.000 -0.316 0.000 0.822 121 A HN 0.285 nan 8.150 nan 0.000 0.443 122 L N -0.499 120.641 121.223 -0.138 0.000 2.083 122 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 122 L C 1.904 178.745 176.870 -0.049 0.000 1.083 122 L CA 1.410 56.199 54.840 -0.086 0.000 0.752 122 L CB -0.619 41.381 42.059 -0.098 0.000 0.899 122 L HN 0.318 nan 8.230 nan 0.000 0.433 123 D N 0.062 120.436 120.400 -0.043 0.000 2.263 123 D HA -0.132 4.508 4.640 -0.000 0.000 0.208 123 D C 1.905 178.225 176.300 0.032 0.000 0.971 123 D CA 1.256 55.259 54.000 0.004 0.000 0.867 123 D CB 0.113 40.938 40.800 0.041 0.000 0.929 123 D HN 0.326 nan 8.370 nan 0.000 0.492 124 A N -0.685 122.158 122.820 0.038 0.000 2.275 124 A HA 0.453 4.773 4.320 -0.000 0.000 0.212 124 A C 1.708 179.313 177.584 0.035 0.000 1.201 124 A CA 0.882 52.955 52.037 0.061 0.000 0.843 124 A CB 0.018 19.087 19.000 0.116 0.000 0.873 124 A HN 0.210 nan 8.150 nan 0.000 0.492 125 G N -0.706 108.103 108.800 0.016 0.000 2.141 125 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.231 125 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.231 125 G C 0.416 175.322 174.900 0.010 0.000 0.984 125 G CA 0.343 45.451 45.100 0.013 0.000 0.660 125 G HN 1.726 nan 8.290 nan 0.000 0.525 126 V N -1.685 118.229 119.914 0.000 0.000 2.763 126 V HA 0.594 4.713 4.120 -0.000 0.000 0.306 126 V C 1.119 177.226 176.094 0.023 0.000 1.059 126 V CA 1.014 63.314 62.300 0.001 0.000 1.138 126 V CB 1.228 33.028 31.823 -0.039 0.000 0.940 126 V HN 0.348 nan 8.190 nan 0.000 0.489 127 E N 1.388 121.623 120.200 0.058 0.000 2.447 127 E HA 0.166 4.516 4.350 -0.000 0.000 0.195 127 E C 0.401 177.111 176.600 0.183 0.000 1.028 127 E CA 0.467 56.923 56.400 0.094 0.000 0.876 127 E CB 0.161 29.913 29.700 0.086 0.000 0.885 127 E HN 0.887 nan 8.360 nan 0.000 0.500 128 H N 0.039 119.121 119.070 0.020 0.000 2.782 128 H HA 0.418 4.973 4.556 -0.000 0.000 0.347 128 H C -1.225 174.064 175.328 -0.065 0.000 1.038 128 H CA -0.668 55.388 56.048 0.013 0.000 1.255 128 H CB 0.939 30.739 29.762 0.062 0.000 1.623 128 H HN -0.069 nan 8.280 nan 0.000 0.525 129 I N 6.562 126.913 120.570 -0.365 0.000 2.433 129 I HA 0.276 4.446 4.170 -0.000 0.000 0.292 129 I C -0.299 175.503 176.117 -0.524 0.000 1.001 129 I CA -0.756 60.312 61.300 -0.386 0.000 1.119 129 I CB 2.211 40.079 38.000 -0.220 0.000 1.289 129 I HN 0.419 nan 8.210 nan 0.000 0.438 130 I N 6.957 127.320 120.570 -0.344 0.000 2.339 130 I HA 0.429 4.599 4.170 -0.000 0.000 0.290 130 I C -0.480 175.601 176.117 -0.060 0.000 0.994 130 I CA -0.382 60.815 61.300 -0.172 0.000 1.191 130 I CB 1.305 39.318 38.000 0.023 0.000 1.343 130 I HN 0.340 nan 8.210 nan 0.000 0.458 131 I N 5.511 126.039 120.570 -0.070 0.000 2.418 131 I HA 0.433 4.603 4.170 -0.000 0.000 0.287 131 I C 0.488 176.585 176.117 -0.034 0.000 1.008 131 I CA -0.595 60.675 61.300 -0.050 0.000 1.104 131 I CB 1.852 39.810 38.000 -0.070 0.000 1.264 131 I HN 0.577 nan 8.210 nan 0.000 0.438 132 G N 6.050 114.836 108.800 -0.023 0.000 2.338 132 G HA2 0.562 4.522 3.960 -0.000 0.000 0.298 132 G HA3 0.562 4.522 3.960 -0.000 0.000 0.298 132 G C 0.272 175.148 174.900 -0.040 0.000 1.140 132 G CA -0.429 44.656 45.100 -0.024 0.000 0.860 132 G HN 0.830 nan 8.290 nan 0.000 0.470 133 I N 1.260 121.801 120.570 -0.049 0.000 3.762 133 I HA 0.423 4.592 4.170 -0.000 0.000 0.333 133 I C 0.756 176.825 176.117 -0.081 0.000 1.566 133 I CA -0.777 60.483 61.300 -0.066 0.000 1.129 133 I CB 0.557 38.515 38.000 -0.070 0.000 1.218 133 I HN 0.355 nan 8.210 nan 0.000 0.456 134 G N 0.503 109.266 108.800 -0.062 0.000 2.572 134 G HA2 0.424 4.384 3.960 -0.000 0.000 0.261 134 G HA3 0.424 4.384 3.960 -0.000 0.000 0.261 134 G C 0.866 175.738 174.900 -0.047 0.000 1.197 134 G CA 0.060 45.123 45.100 -0.063 0.000 0.870 134 G HN 0.824 nan 8.290 nan 0.000 0.548 135 G N -0.605 108.170 108.800 -0.041 0.000 2.246 135 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.273 135 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.273 135 G C 0.561 175.450 174.900 -0.019 0.000 1.055 135 G CA 0.673 45.765 45.100 -0.015 0.000 0.851 135 G HN 1.787 nan 8.290 nan 0.000 0.500 136 S N -1.160 114.516 115.700 -0.040 0.000 2.580 136 S HA 0.727 5.196 4.470 -0.000 0.000 0.274 136 S C 1.363 175.957 174.600 -0.010 0.000 1.329 136 S CA 0.420 58.600 58.200 -0.034 0.000 1.036 136 S CB 2.099 65.264 63.200 -0.057 0.000 0.919 136 S HN 1.633 nan 8.310 nan 0.000 0.515 137 A N 1.903 124.720 122.820 -0.004 0.000 2.195 137 A HA 0.274 4.593 4.320 -0.000 0.000 0.210 137 A C 1.262 178.849 177.584 0.004 0.000 1.165 137 A CA 0.540 52.581 52.037 0.006 0.000 0.806 137 A CB -0.742 18.262 19.000 0.007 0.000 0.847 137 A HN 1.011 nan 8.150 nan 0.000 0.482 138 T N -2.475 112.076 114.554 -0.006 0.000 2.875 138 T HA 0.472 4.822 4.350 -0.000 0.000 0.284 138 T C -0.290 174.407 174.700 -0.005 0.000 0.995 138 T CA -0.503 61.591 62.100 -0.010 0.000 1.060 138 T CB 1.266 70.123 68.868 -0.019 0.000 0.967 138 T HN 0.190 nan 8.240 nan 0.000 0.476 139 N N 0.966 119.662 118.700 -0.007 0.000 2.599 139 N HA 0.155 4.895 4.740 -0.000 0.000 0.309 139 N C 0.201 175.692 175.510 -0.032 0.000 1.743 139 N CA -0.344 52.705 53.050 -0.002 0.000 0.918 139 N CB 0.367 38.864 38.487 0.017 0.000 1.339 139 N HN 0.767 nan 8.380 nan 0.000 0.493 140 D N -0.597 119.769 120.400 -0.056 0.000 2.363 140 D HA 0.144 4.783 4.640 -0.000 0.000 0.214 140 D C 1.132 177.320 176.300 -0.186 0.000 1.093 140 D CA 0.042 53.976 54.000 -0.110 0.000 0.837 140 D CB -0.231 40.519 40.800 -0.084 0.000 0.948 140 D HN 0.230 nan 8.370 nan 0.000 0.507 141 G N 0.293 109.029 108.800 -0.106 0.000 2.203 141 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.263 141 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.263 141 G C 1.187 176.099 174.900 0.020 0.000 1.012 141 G CA 0.498 45.581 45.100 -0.029 0.000 0.749 141 G HN 1.375 nan 8.290 nan 0.000 0.512 142 G N -1.709 107.058 108.800 -0.055 0.000 2.160 142 G HA2 0.067 4.027 3.960 -0.000 0.000 0.251 142 G HA3 0.067 4.027 3.960 -0.000 0.000 0.251 142 G C 1.457 176.251 174.900 -0.177 0.000 1.008 142 G CA 1.257 46.301 45.100 -0.094 0.000 0.724 142 G HN 2.068 nan 8.290 nan 0.000 0.514 143 A N -0.095 122.610 122.820 -0.193 0.000 1.929 143 A HA 0.490 4.810 4.320 -0.000 0.000 0.216 143 A C 2.211 179.695 177.584 -0.168 0.000 1.176 143 A CA 1.976 53.885 52.037 -0.213 0.000 0.628 143 A CB -0.614 18.236 19.000 -0.250 0.000 0.816 143 A HN 1.916 nan 8.150 nan 0.000 0.444 147 Q N 1.606 121.120 119.800 -0.476 0.000 2.046 147 Q HA 0.113 4.453 4.340 -0.000 0.000 0.200 147 Q C 2.374 177.909 176.000 -0.774 0.000 0.975 147 Q CA 2.316 57.836 55.803 -0.472 0.000 0.836 147 Q CB -0.244 28.283 28.738 -0.352 0.000 0.896 147 Q HN 0.858 nan 8.270 nan 0.000 0.428 148 A N 0.616 122.614 122.820 -1.370 0.000 2.024 148 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 148 A C 1.801 179.047 177.584 -0.563 0.000 1.164 148 A CA 1.122 52.386 52.037 -1.288 0.000 0.643 148 A CB -0.397 17.670 19.000 -1.555 0.000 0.806 148 A HN 0.304 nan 8.150 nan 0.000 0.451 149 L N -2.052 118.901 121.223 -0.451 0.000 2.592 149 L HA 0.287 4.627 4.340 -0.000 0.000 0.227 149 L C 1.595 178.357 176.870 -0.181 0.000 1.127 149 L CA 0.572 55.249 54.840 -0.272 0.000 0.884 149 L CB 0.283 42.200 42.059 -0.236 0.000 1.065 149 L HN 0.558 nan 8.230 nan 0.000 0.457 150 G N -0.641 108.050 108.800 -0.181 0.000 2.296 150 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.188 150 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.188 150 G C 0.379 175.250 174.900 -0.048 0.000 1.000 150 G CA -0.218 44.829 45.100 -0.089 0.000 0.672 150 G HN 0.352 nan 8.290 nan 0.000 0.483 151 A N 0.973 123.760 122.820 -0.054 0.000 2.425 151 A HA 0.682 5.002 4.320 -0.000 0.000 0.249 151 A C 0.516 178.111 177.584 0.018 0.000 1.084 151 A CA 0.167 52.219 52.037 0.026 0.000 0.781 151 A CB 0.326 19.384 19.000 0.098 0.000 1.019 151 A HN 0.265 nan 8.150 nan 0.000 0.490 152 R N 1.540 122.073 120.500 0.054 0.000 2.255 152 R HA 0.448 4.788 4.340 -0.000 0.000 0.326 152 R C -1.609 174.738 176.300 0.078 0.000 0.986 152 R CA -0.591 55.543 56.100 0.057 0.000 0.847 152 R CB 0.962 31.291 30.300 0.049 0.000 1.111 152 R HN 0.530 nan 8.270 nan 0.000 0.452 153 L N 4.458 125.727 121.223 0.077 0.000 2.324 153 L HA 0.446 4.785 4.340 -0.000 0.000 0.274 153 L C 0.327 177.239 176.870 0.070 0.000 1.012 153 L CA 0.048 54.941 54.840 0.089 0.000 0.859 153 L CB 0.976 43.085 42.059 0.084 0.000 1.224 153 L HN 0.303 nan 8.230 nan 0.000 0.429 154 R N 0.727 121.266 120.500 0.065 0.000 2.828 154 R HA 0.556 4.896 4.340 -0.000 0.000 0.264 154 R C -0.690 175.639 176.300 0.047 0.000 1.022 154 R CA -0.922 55.208 56.100 0.050 0.000 1.021 154 R CB 1.763 32.090 30.300 0.044 0.000 1.163 154 R HN 0.598 nan 8.270 nan 0.000 0.494 155 D N -0.033 120.389 120.400 0.037 0.000 2.530 155 D HA 0.197 4.837 4.640 -0.000 0.000 0.282 155 D C 0.649 176.967 176.300 0.031 0.000 1.204 155 D CA -0.522 53.498 54.000 0.033 0.000 1.093 155 D CB 0.021 40.837 40.800 0.026 0.000 1.154 155 D HN 0.401 nan 8.370 nan 0.000 0.593 156 A N -1.203 121.634 122.820 0.027 0.000 2.119 156 A HA -0.097 4.222 4.320 -0.000 0.000 0.217 156 A C 1.350 178.947 177.584 0.021 0.000 1.153 156 A CA 1.007 53.059 52.037 0.025 0.000 0.692 156 A CB -0.546 18.468 19.000 0.023 0.000 0.799 156 A HN 0.490 nan 8.150 nan 0.000 0.458 157 Q N -1.449 118.363 119.800 0.020 0.000 2.175 157 Q HA 0.320 4.660 4.340 -0.000 0.000 0.225 157 Q C 0.784 176.795 176.000 0.018 0.000 0.837 157 Q CA 0.403 56.216 55.803 0.017 0.000 1.032 157 Q CB -0.579 28.167 28.738 0.014 0.000 1.137 157 Q HN 0.987 nan 8.270 nan 0.000 0.483 158 G N 2.105 110.918 108.800 0.021 0.000 2.160 158 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.251 158 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.251 158 G C -0.418 174.496 174.900 0.023 0.000 1.008 158 G CA 0.069 45.183 45.100 0.023 0.000 0.724 158 G HN 0.384 nan 8.290 nan 0.000 0.514 159 N N 1.708 120.422 118.700 0.023 0.000 2.434 159 N HA 0.284 5.024 4.740 -0.000 0.000 0.272 159 N C -0.084 175.443 175.510 0.028 0.000 1.040 159 N CA -0.402 52.661 53.050 0.021 0.000 0.956 159 N CB 0.961 39.457 38.487 0.016 0.000 1.108 159 N HN 0.245 nan 8.380 nan 0.000 0.481 160 D N 1.475 121.895 120.400 0.033 0.000 2.548 160 D HA -0.025 4.615 4.640 -0.000 0.000 0.231 160 D C 0.995 177.316 176.300 0.036 0.000 1.142 160 D CA 0.408 54.434 54.000 0.045 0.000 0.866 160 D CB 1.108 41.942 40.800 0.057 0.000 1.190 160 D HN 0.478 nan 8.370 nan 0.000 0.469 161 I N -1.176 119.419 120.570 0.041 0.000 2.779 161 I HA 0.328 4.498 4.170 -0.000 0.000 0.285 161 I C 0.604 176.733 176.117 0.019 0.000 1.134 161 I CA -0.860 60.456 61.300 0.026 0.000 1.398 161 I CB 0.652 38.664 38.000 0.020 0.000 1.404 161 I HN 0.204 nan 8.210 nan 0.000 0.587 162 A N 4.664 127.486 122.820 0.003 0.000 2.448 162 A HA 0.154 4.473 4.320 -0.000 0.000 0.239 162 A C 0.305 177.883 177.584 -0.010 0.000 1.080 162 A CA -0.327 51.704 52.037 -0.010 0.000 0.779 162 A CB 0.152 19.143 19.000 -0.015 0.000 1.026 162 A HN 0.902 nan 8.150 nan 0.000 0.499 163 Q N 0.834 120.619 119.800 -0.025 0.000 2.392 163 Q HA 0.460 4.799 4.340 -0.000 0.000 0.262 163 Q C 0.445 176.430 176.000 -0.025 0.000 1.003 163 Q CA 0.069 55.859 55.803 -0.020 0.000 0.888 163 Q CB 0.433 29.135 28.738 -0.060 0.000 1.260 163 Q HN 2.341 nan 8.270 nan 0.000 0.435 164 G N 1.152 109.941 108.800 -0.018 0.000 2.698 164 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.225 164 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.225 164 G C 0.479 175.351 174.900 -0.046 0.000 1.345 164 G CA -0.216 44.866 45.100 -0.031 0.000 0.871 164 G HN 1.071 nan 8.290 nan 0.000 0.540 165 G N -0.836 107.936 108.800 -0.046 0.000 2.422 165 G HA2 0.064 4.023 3.960 -0.000 0.000 0.218 165 G HA3 0.064 4.023 3.960 -0.000 0.000 0.218 165 G C 1.912 176.785 174.900 -0.045 0.000 1.140 165 G CA 1.446 46.513 45.100 -0.056 0.000 0.775 165 G HN 0.780 nan 8.290 nan 0.000 0.545 166 I N 1.864 122.416 120.570 -0.030 0.000 2.121 166 I HA -0.263 3.906 4.170 -0.000 0.000 0.243 166 I C 2.836 178.939 176.117 -0.023 0.000 1.047 166 I CA 2.048 63.334 61.300 -0.022 0.000 1.308 166 I CB -1.030 36.958 38.000 -0.019 0.000 1.015 166 I HN 0.272 nan 8.210 nan 0.000 0.410 167 G N -0.292 108.490 108.800 -0.029 0.000 2.443 167 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 167 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 167 G C 1.588 176.470 174.900 -0.030 0.000 1.131 167 G CA 0.165 45.251 45.100 -0.023 0.000 0.775 167 G HN 0.303 nan 8.290 nan 0.000 0.547 168 L N 0.742 121.929 121.223 -0.060 0.000 2.217 168 L HA 0.110 4.450 4.340 -0.000 0.000 0.211 168 L C 2.601 179.457 176.870 -0.024 0.000 1.107 168 L CA 1.292 56.081 54.840 -0.085 0.000 0.783 168 L CB -0.456 41.493 42.059 -0.183 0.000 0.919 168 L HN 0.342 nan 8.230 nan 0.000 0.442 169 E N -1.367 118.826 120.200 -0.013 0.000 2.160 169 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 169 E C 1.327 177.938 176.600 0.019 0.000 0.991 169 E CA 1.666 58.071 56.400 0.008 0.000 0.810 169 E CB -0.182 29.520 29.700 0.004 0.000 0.742 169 E HN 0.501 nan 8.360 nan 0.000 0.466 170 T N 0.719 115.282 114.554 0.015 0.000 3.107 170 T HA 0.123 4.473 4.350 -0.000 0.000 0.249 170 T C 0.657 175.378 174.700 0.035 0.000 1.096 170 T CA -0.138 61.975 62.100 0.022 0.000 1.012 170 T CB 0.213 69.089 68.868 0.015 0.000 0.977 170 T HN 0.057 nan 8.240 nan 0.000 0.527 171 L N 1.923 123.174 121.223 0.047 0.000 2.410 171 L HA 0.414 4.754 4.340 -0.000 0.000 0.273 171 L C 0.917 177.834 176.870 0.079 0.000 1.144 171 L CA -0.107 54.775 54.840 0.070 0.000 0.863 171 L CB 0.702 42.822 42.059 0.100 0.000 1.140 171 L HN 0.200 nan 8.230 nan 0.000 0.463 172 A N 3.354 126.216 122.820 0.069 0.000 2.074 172 A HA 0.213 4.533 4.320 -0.000 0.000 0.200 172 A C 0.401 178.017 177.584 0.054 0.000 1.335 172 A CA 0.621 52.694 52.037 0.060 0.000 0.922 172 A CB 0.352 19.379 19.000 0.045 0.000 0.972 172 A HN 0.687 nan 8.150 nan 0.000 0.475 173 S N -0.310 115.423 115.700 0.056 0.000 2.614 173 S HA 0.682 5.151 4.470 -0.000 0.000 0.275 173 S C -0.931 173.705 174.600 0.059 0.000 1.161 173 S CA -0.456 57.769 58.200 0.042 0.000 0.969 173 S CB 0.752 63.968 63.200 0.027 0.000 1.059 173 S HN 0.213 nan 8.310 nan 0.000 0.482 174 I N 2.761 123.362 120.570 0.051 0.000 2.395 174 I HA 0.438 4.608 4.170 -0.000 0.000 0.289 174 I C -0.443 175.692 176.117 0.029 0.000 1.023 174 I CA -0.004 61.345 61.300 0.081 0.000 1.350 174 I CB 0.968 39.019 38.000 0.085 0.000 1.409 174 I HN 0.706 nan 8.210 nan 0.000 0.507 175 D N 7.159 127.594 120.400 0.058 0.000 2.620 175 D HA 0.330 4.970 4.640 -0.000 0.000 0.252 175 D C 0.042 176.369 176.300 0.044 0.000 1.207 175 D CA -0.538 53.479 54.000 0.028 0.000 0.884 175 D CB 1.224 42.040 40.800 0.028 0.000 1.262 175 D HN 0.509 nan 8.370 nan 0.000 0.552 176 I N 1.192 121.772 120.570 0.015 0.000 3.927 176 I HA 0.188 4.358 4.170 -0.000 0.000 0.332 176 I C 1.214 177.334 176.117 0.005 0.000 1.485 176 I CA -0.353 60.962 61.300 0.025 0.000 1.131 176 I CB 0.258 38.254 38.000 -0.008 0.000 1.092 176 I HN 0.193 nan 8.210 nan 0.000 0.410 177 S N 1.459 117.160 115.700 0.002 0.000 2.382 177 S HA -0.085 4.385 4.470 -0.000 0.000 0.228 177 S C 1.881 176.482 174.600 0.001 0.000 1.027 177 S CA 1.254 59.453 58.200 -0.000 0.000 0.991 177 S CB -1.021 62.179 63.200 0.001 0.000 0.823 177 S HN 0.577 nan 8.310 nan 0.000 0.469 178 G N 0.682 109.485 108.800 0.005 0.000 2.920 178 G HA2 0.286 4.246 3.960 -0.000 0.000 0.208 178 G HA3 0.286 4.246 3.960 -0.000 0.000 0.208 178 G C 0.234 175.128 174.900 -0.009 0.000 1.159 178 G CA -0.294 44.806 45.100 -0.000 0.000 0.784 178 G HN 0.482 nan 8.290 nan 0.000 0.535 179 L N 1.442 122.665 121.223 -0.001 0.000 2.410 179 L HA 0.252 4.592 4.340 -0.000 0.000 0.273 179 L C 0.097 176.954 176.870 -0.021 0.000 1.144 179 L CA -0.958 53.880 54.840 -0.004 0.000 0.863 179 L CB 0.687 42.769 42.059 0.038 0.000 1.140 179 L HN -0.031 nan 8.230 nan 0.000 0.463 180 D N 3.371 123.745 120.400 -0.043 0.000 2.662 180 D HA -0.137 4.503 4.640 -0.000 0.000 0.237 180 D C 0.669 176.948 176.300 -0.035 0.000 1.154 180 D CA 0.421 54.392 54.000 -0.049 0.000 0.861 180 D CB 0.879 41.633 40.800 -0.076 0.000 1.146 180 D HN 0.501 nan 8.370 nan 0.000 0.518 181 K N 2.739 123.123 120.400 -0.028 0.000 2.439 181 K HA 0.013 4.333 4.320 -0.000 0.000 0.197 181 K C 1.715 178.302 176.600 -0.021 0.000 1.041 181 K CA 0.502 56.776 56.287 -0.021 0.000 0.970 181 K CB 0.201 32.691 32.500 -0.017 0.000 0.773 181 K HN 0.369 nan 8.250 nan 0.000 0.479 182 R N -0.280 120.204 120.500 -0.027 0.000 2.275 182 R HA 0.096 4.436 4.340 -0.000 0.000 0.199 182 R C 1.587 177.874 176.300 -0.022 0.000 0.989 182 R CA 0.358 56.444 56.100 -0.023 0.000 1.016 182 R CB -0.088 30.194 30.300 -0.029 0.000 0.918 182 R HN 0.120 nan 8.270 nan 0.000 0.473 183 L N 0.469 121.676 121.223 -0.027 0.000 2.027 183 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 183 L C 2.549 179.413 176.870 -0.010 0.000 1.074 183 L CA 1.688 56.513 54.840 -0.025 0.000 0.745 183 L CB -0.453 41.589 42.059 -0.028 0.000 0.898 183 L HN 0.266 nan 8.230 nan 0.000 0.433 184 S N -0.220 115.473 115.700 -0.011 0.000 2.406 184 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 184 S C 2.149 176.752 174.600 0.006 0.000 1.020 184 S CA 0.600 58.796 58.200 -0.007 0.000 0.965 184 S CB -0.332 62.856 63.200 -0.019 0.000 0.798 184 S HN 0.309 nan 8.310 nan 0.000 0.488 185 A N 0.603 123.426 122.820 0.005 0.000 1.978 185 A HA 0.023 4.342 4.320 -0.000 0.000 0.220 185 A C 1.521 179.127 177.584 0.037 0.000 1.170 185 A CA 1.012 53.057 52.037 0.014 0.000 0.636 185 A CB -1.377 17.627 19.000 0.007 0.000 0.810 185 A HN 0.682 nan 8.150 nan 0.000 0.448 186 C N 0.338 119.661 119.300 0.039 0.000 2.601 186 C HA 0.311 4.770 4.460 -0.000 0.000 0.409 186 C C 0.633 175.706 174.990 0.137 0.000 1.293 186 C CA -0.636 58.423 59.018 0.068 0.000 2.101 186 C CB -0.789 26.964 27.740 0.022 0.000 2.639 186 C HN 0.602 nan 8.230 nan 0.000 0.592 187 H N 5.775 124.892 119.070 0.078 0.000 2.911 187 H HA 0.376 4.931 4.556 -0.000 0.000 0.273 187 H C -0.548 174.861 175.328 0.135 0.000 1.157 187 H CA -0.183 55.946 56.048 0.134 0.000 1.402 187 H CB 0.138 30.020 29.762 0.200 0.000 1.463 187 H HN 0.617 nan 8.280 nan 0.000 0.475 188 I N 5.803 126.334 120.570 -0.065 0.000 2.354 188 I HA 0.175 4.344 4.170 -0.000 0.000 0.286 188 I C -0.400 175.602 176.117 -0.192 0.000 1.007 188 I CA -0.468 60.735 61.300 -0.161 0.000 1.167 188 I CB 1.578 39.536 38.000 -0.071 0.000 1.320 188 I HN 0.535 nan 8.210 nan 0.000 0.458 189 E N 5.623 125.661 120.200 -0.269 0.000 2.171 189 E HA 0.447 4.796 4.350 -0.000 0.000 0.271 189 E C -0.989 175.556 176.600 -0.092 0.000 0.916 189 E CA -0.718 55.593 56.400 -0.148 0.000 0.774 189 E CB 3.364 32.986 29.700 -0.131 0.000 1.128 189 E HN 0.397 nan 8.360 nan 0.000 0.403 190 V N 1.260 121.153 119.914 -0.035 0.000 2.384 190 V HA 0.647 4.767 4.120 -0.000 0.000 0.287 190 V C -0.293 175.792 176.094 -0.015 0.000 1.020 190 V CA -0.609 61.675 62.300 -0.028 0.000 0.850 190 V CB 1.067 32.878 31.823 -0.019 0.000 0.987 190 V HN 0.777 nan 8.190 nan 0.000 0.436 191 A N 5.961 128.769 122.820 -0.019 0.000 2.476 191 A HA 0.491 4.810 4.320 -0.000 0.000 0.275 191 A C 0.168 177.741 177.584 -0.018 0.000 1.133 191 A CA 0.399 52.429 52.037 -0.011 0.000 0.797 191 A CB -0.490 18.503 19.000 -0.010 0.000 1.081 191 A HN 1.665 nan 8.150 nan 0.000 0.510 192 C N 2.951 122.244 119.300 -0.012 0.000 2.442 192 C HA 0.611 5.071 4.460 -0.000 0.000 0.335 192 C C -0.154 174.831 174.990 -0.009 0.000 1.134 192 C CA -0.630 58.377 59.018 -0.019 0.000 1.344 192 C CB 0.001 27.729 27.740 -0.019 0.000 1.956 192 C HN 0.899 nan 8.230 nan 0.000 0.438 193 D N 2.990 123.385 120.400 -0.008 0.000 2.479 193 D HA 0.217 4.857 4.640 -0.000 0.000 0.218 193 D C 0.430 176.738 176.300 0.014 0.000 1.177 193 D CA 0.265 54.267 54.000 0.004 0.000 0.830 193 D CB 0.950 41.755 40.800 0.009 0.000 1.014 193 D HN 0.593 nan 8.370 nan 0.000 0.503 194 V N -1.884 118.043 119.914 0.021 0.000 2.919 194 V HA 0.634 4.753 4.120 -0.000 0.000 0.316 194 V C 1.057 177.178 176.094 0.046 0.000 1.077 194 V CA -0.628 61.708 62.300 0.060 0.000 0.977 194 V CB 1.692 33.594 31.823 0.132 0.000 1.039 194 V HN 0.055 nan 8.190 nan 0.000 0.441 195 T N -1.542 113.045 114.554 0.056 0.000 3.054 195 T HA 0.265 4.615 4.350 -0.000 0.000 0.255 195 T C 0.399 175.127 174.700 0.047 0.000 1.035 195 T CA -0.154 61.966 62.100 0.033 0.000 0.941 195 T CB -1.004 67.875 68.868 0.019 0.000 1.026 195 T HN 0.687 nan 8.240 nan 0.000 0.533 196 N N 4.299 123.058 118.700 0.098 0.000 2.454 196 N HA 0.261 5.001 4.740 -0.000 0.000 0.260 196 N C -2.402 173.159 175.510 0.085 0.000 1.218 196 N CA -0.953 52.167 53.050 0.116 0.000 0.904 196 N CB 0.678 39.314 38.487 0.248 0.000 1.065 196 N HN 0.324 nan 8.380 nan 0.000 0.462 197 P HA 0.037 nan 4.420 nan 0.000 0.293 197 P C 0.683 178.024 177.300 0.068 0.000 1.304 197 P CA -0.554 62.571 63.100 0.042 0.000 0.767 197 P CB 1.076 32.790 31.700 0.024 0.000 1.247 198 L N -1.097 120.163 121.223 0.062 0.000 2.046 198 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 198 L C 1.379 178.304 176.870 0.092 0.000 1.077 198 L CA 2.105 56.999 54.840 0.090 0.000 0.747 198 L CB -0.392 41.724 42.059 0.094 0.000 0.896 198 L HN 0.605 nan 8.230 nan 0.000 0.432 199 T N -3.647 110.948 114.554 0.070 0.000 2.864 199 T HA 0.660 5.010 4.350 -0.000 0.000 0.289 199 T C -0.041 174.682 174.700 0.039 0.000 1.082 199 T CA -0.052 62.084 62.100 0.058 0.000 1.009 199 T CB 2.334 71.237 68.868 0.057 0.000 1.234 199 T HN 0.467 nan 8.240 nan 0.000 0.526 200 G N 0.832 109.649 108.800 0.028 0.000 2.610 200 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.304 200 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.304 200 G C 0.248 175.150 174.900 0.003 0.000 1.309 200 G CA 0.147 45.255 45.100 0.014 0.000 0.906 200 G HN 1.017 nan 8.290 nan 0.000 0.521 201 K N 0.070 120.466 120.400 -0.005 0.000 2.362 201 K HA 0.056 4.376 4.320 -0.000 0.000 0.200 201 K C 1.120 177.701 176.600 -0.033 0.000 1.046 201 K CA 1.908 58.184 56.287 -0.018 0.000 0.952 201 K CB -0.044 32.447 32.500 -0.016 0.000 0.753 201 K HN 0.425 nan 8.250 nan 0.000 0.466 202 E N -0.213 119.972 120.200 -0.025 0.000 3.646 202 E HA 0.194 4.544 4.350 -0.000 0.000 0.211 202 E C -0.457 176.136 176.600 -0.011 0.000 1.034 202 E CA -0.482 55.893 56.400 -0.042 0.000 1.341 202 E CB 1.387 31.065 29.700 -0.037 0.000 1.202 202 E HN 0.355 nan 8.360 nan 0.000 0.447 203 G N -0.317 108.486 108.800 0.005 0.000 2.537 203 G HA2 0.433 4.393 3.960 -0.000 0.000 0.297 203 G HA3 0.433 4.393 3.960 -0.000 0.000 0.297 203 G C 1.001 175.954 174.900 0.089 0.000 1.310 203 G CA -0.057 45.075 45.100 0.054 0.000 1.027 203 G HN 0.260 nan 8.290 nan 0.000 0.505 204 A N -0.370 122.543 122.820 0.156 0.000 1.883 204 A HA -0.054 4.265 4.320 -0.000 0.000 0.217 204 A C 2.621 180.325 177.584 0.201 0.000 1.186 204 A CA 2.615 54.807 52.037 0.259 0.000 0.624 204 A CB -0.846 18.265 19.000 0.185 0.000 0.822 204 A HN 0.560 nan 8.150 nan 0.000 0.444 205 S N -0.070 115.694 115.700 0.107 0.000 2.371 205 S HA 0.076 4.546 4.470 -0.000 0.000 0.224 205 S C 2.288 176.904 174.600 0.027 0.000 1.029 205 S CA 1.027 59.268 58.200 0.069 0.000 0.978 205 S CB -0.472 62.757 63.200 0.047 0.000 0.833 205 S HN 0.794 nan 8.310 nan 0.000 0.466 206 A N 1.342 124.161 122.820 -0.003 0.000 1.855 206 A HA -0.012 4.308 4.320 -0.000 0.000 0.215 206 A C 2.332 179.848 177.584 -0.113 0.000 1.191 206 A CA 1.621 53.631 52.037 -0.045 0.000 0.613 206 A CB -0.811 18.162 19.000 -0.045 0.000 0.829 206 A HN 0.349 nan 8.150 nan 0.000 0.442 207 V N -1.992 117.791 119.914 -0.219 0.000 2.446 207 V HA -0.057 4.063 4.120 -0.000 0.000 0.244 207 V C 1.965 177.697 176.094 -0.603 0.000 1.039 207 V CA 1.578 63.576 62.300 -0.503 0.000 1.045 207 V CB -0.794 30.543 31.823 -0.810 0.000 0.681 207 V HN 0.528 nan 8.190 nan 0.000 0.459 208 F N 0.698 120.655 119.950 0.011 0.000 2.717 208 F HA 0.388 4.915 4.527 0.000 0.000 0.297 208 F C 2.254 178.059 175.800 0.009 0.000 1.113 208 F CA 0.438 58.444 58.000 0.011 0.000 1.319 208 F CB -0.939 38.068 39.000 0.012 0.000 1.097 208 F HN 0.113 nan 8.300 nan 0.000 0.595 209 G N 1.765 110.646 108.800 0.135 0.000 2.440 209 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.218 209 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.218 209 G C -0.676 174.257 174.900 0.055 0.000 1.154 209 G CA 0.836 45.986 45.100 0.083 0.000 0.767 209 G HN 0.207 nan 8.290 nan 0.000 0.552 210 P HA -0.178 nan 4.420 nan 0.000 0.214 210 P C 1.998 179.320 177.300 0.037 0.000 1.163 210 P CA 1.867 64.980 63.100 0.021 0.000 0.889 210 P CB -0.221 31.478 31.700 -0.002 0.000 0.790 211 Q N 0.308 120.142 119.800 0.058 0.000 2.364 211 Q HA -0.128 4.211 4.340 -0.000 0.000 0.207 211 Q C 0.964 177.001 176.000 0.062 0.000 0.970 211 Q CA 1.368 57.210 55.803 0.066 0.000 0.888 211 Q CB -0.616 28.179 28.738 0.096 0.000 0.951 211 Q HN 0.245 nan 8.270 nan 0.000 0.469 212 K N 0.187 120.626 120.400 0.065 0.000 2.437 212 K HA 0.223 4.543 4.320 -0.000 0.000 0.198 212 K C 0.576 177.197 176.600 0.034 0.000 1.024 212 K CA 0.403 56.719 56.287 0.048 0.000 1.148 212 K CB 0.567 33.097 32.500 0.049 0.000 0.860 212 K HN 0.413 nan 8.250 nan 0.000 0.515 213 G N 0.889 109.707 108.800 0.032 0.000 2.132 213 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.234 213 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.234 213 G C 0.133 175.044 174.900 0.018 0.000 0.989 213 G CA -0.130 44.984 45.100 0.022 0.000 0.676 213 G HN 0.447 nan 8.290 nan 0.000 0.522 214 A N 0.926 123.759 122.820 0.021 0.000 2.454 214 A HA 0.658 4.978 4.320 -0.000 0.000 0.260 214 A C 1.135 178.725 177.584 0.010 0.000 1.106 214 A CA 1.082 53.128 52.037 0.016 0.000 0.780 214 A CB 0.093 19.105 19.000 0.019 0.000 1.044 214 A HN 1.819 nan 8.150 nan 0.000 0.498 215 T N 1.358 115.917 114.554 0.007 0.000 2.868 215 T HA 0.349 4.699 4.350 -0.000 0.000 0.292 215 T C -1.564 173.138 174.700 0.003 0.000 1.028 215 T CA -1.147 60.955 62.100 0.004 0.000 1.059 215 T CB 0.370 69.240 68.868 0.004 0.000 0.991 215 T HN 0.371 nan 8.240 nan 0.000 0.531 216 P HA -0.150 nan 4.420 nan 0.000 0.219 216 P C 0.638 177.938 177.300 -0.000 0.000 1.153 216 P CA 1.290 64.389 63.100 -0.002 0.000 0.865 216 P CB 0.092 31.790 31.700 -0.003 0.000 0.788 220 E N 2.059 122.263 120.200 0.006 0.000 2.058 220 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 220 E C 1.967 178.572 176.600 0.009 0.000 0.997 220 E CA 1.546 57.950 56.400 0.006 0.000 0.801 220 E CB 0.004 29.706 29.700 0.003 0.000 0.746 220 E HN 0.343 nan 8.360 nan 0.000 0.450 221 R N 0.367 120.872 120.500 0.007 0.000 2.096 221 R HA -0.157 4.183 4.340 -0.000 0.000 0.240 221 R C 2.472 178.779 176.300 0.010 0.000 1.139 221 R CA 1.259 57.363 56.100 0.007 0.000 0.952 221 R CB -0.356 29.947 30.300 0.004 0.000 0.854 221 R HN 0.184 nan 8.270 nan 0.000 0.436 222 L N -0.024 121.206 121.223 0.011 0.000 2.109 222 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 222 L C 2.157 179.044 176.870 0.027 0.000 1.086 222 L CA 1.030 55.879 54.840 0.014 0.000 0.760 222 L CB -0.412 41.657 42.059 0.016 0.000 0.910 222 L HN 0.151 nan 8.230 nan 0.000 0.437 223 D N -0.238 120.179 120.400 0.028 0.000 2.117 223 D HA -0.178 4.461 4.640 -0.000 0.000 0.197 223 D C 2.048 178.371 176.300 0.037 0.000 0.987 223 D CA 1.589 55.610 54.000 0.035 0.000 0.829 223 D CB 0.105 40.920 40.800 0.025 0.000 0.961 223 D HN 0.065 nan 8.370 nan 0.000 0.460 224 T N -0.544 114.026 114.554 0.027 0.000 2.833 224 T HA -0.053 4.297 4.350 -0.000 0.000 0.269 224 T C 1.792 176.514 174.700 0.037 0.000 1.054 224 T CA 1.359 63.474 62.100 0.025 0.000 1.135 224 T CB -0.329 68.547 68.868 0.014 0.000 0.869 224 T HN 0.273 nan 8.240 nan 0.000 0.466 225 A N 0.559 123.401 122.820 0.038 0.000 2.016 225 A HA 0.211 4.531 4.320 -0.000 0.000 0.217 225 A C 2.154 179.792 177.584 0.090 0.000 1.162 225 A CA 0.730 52.794 52.037 0.046 0.000 0.662 225 A CB -0.449 18.559 19.000 0.014 0.000 0.812 225 A HN 0.467 nan 8.150 nan 0.000 0.450 226 L N -1.043 120.241 121.223 0.102 0.000 2.209 226 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 226 L C 2.642 179.628 176.870 0.194 0.000 1.094 226 L CA 1.220 56.170 54.840 0.183 0.000 0.790 226 L CB -0.696 41.453 42.059 0.149 0.000 0.932 226 L HN 0.291 nan 8.230 nan 0.000 0.447 227 T N -0.271 114.356 114.554 0.122 0.000 2.597 227 T HA -0.322 4.028 4.350 -0.000 0.000 0.267 227 T C 1.969 176.745 174.700 0.128 0.000 1.053 227 T CA 1.974 64.132 62.100 0.098 0.000 1.165 227 T CB -0.262 68.635 68.868 0.049 0.000 0.863 227 T HN 0.238 nan 8.240 nan 0.000 0.427 228 R N -0.472 120.102 120.500 0.123 0.000 2.096 228 R HA -0.179 4.161 4.340 -0.000 0.000 0.240 228 R C 2.317 178.765 176.300 0.246 0.000 1.139 228 R CA 1.561 57.757 56.100 0.160 0.000 0.952 228 R CB -0.638 29.734 30.300 0.121 0.000 0.854 228 R HN 0.424 nan 8.270 nan 0.000 0.436 229 Y N 0.679 121.033 120.300 0.091 0.000 2.081 229 Y HA -0.251 4.299 4.550 -0.000 0.000 0.280 229 Y C 2.142 178.103 175.900 0.102 0.000 1.163 229 Y CA 1.518 59.675 58.100 0.095 0.000 1.135 229 Y CB -1.002 37.510 38.460 0.087 0.000 0.970 229 Y HN 0.226 nan 8.280 nan 0.000 0.498 230 A N -0.848 122.027 122.820 0.091 0.000 1.908 230 A HA -0.302 4.017 4.320 -0.000 0.000 0.218 230 A C 2.145 179.742 177.584 0.022 0.000 1.181 230 A CA 2.136 54.168 52.037 -0.009 0.000 0.627 230 A CB -1.391 17.644 19.000 0.058 0.000 0.818 230 A HN 0.720 nan 8.150 nan 0.000 0.445 231 H N -0.080 118.989 119.070 -0.002 0.000 2.353 231 H HA 0.003 4.558 4.556 -0.000 0.000 0.300 231 H C 1.679 176.995 175.328 -0.019 0.000 1.090 231 H CA 1.966 58.013 56.048 -0.002 0.000 1.327 231 H CB -0.176 29.599 29.762 0.022 0.000 1.383 231 H HN 0.390 nan 8.280 nan 0.000 0.508 232 L N -0.211 121.027 121.223 0.026 0.000 2.313 232 L HA -0.069 4.271 4.340 -0.000 0.000 0.214 232 L C 2.085 178.868 176.870 -0.145 0.000 1.119 232 L CA 0.294 55.106 54.840 -0.046 0.000 0.809 232 L CB -0.179 41.923 42.059 0.072 0.000 0.933 232 L HN 0.342 nan 8.230 nan 0.000 0.449 233 I N 0.700 121.154 120.570 -0.193 0.000 2.133 233 I HA -0.225 3.945 4.170 -0.000 0.000 0.238 233 I C 2.892 178.847 176.117 -0.270 0.000 1.074 233 I CA 1.413 62.533 61.300 -0.298 0.000 1.342 233 I CB -0.886 36.907 38.000 -0.345 0.000 1.053 233 I HN 0.189 nan 8.210 nan 0.000 0.404 234 A N 0.841 123.545 122.820 -0.193 0.000 1.940 234 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 234 A C 2.498 179.976 177.584 -0.176 0.000 1.176 234 A CA 2.093 54.040 52.037 -0.150 0.000 0.631 234 A CB -0.677 18.265 19.000 -0.098 0.000 0.814 234 A HN 0.417 nan 8.150 nan 0.000 0.446 235 R N -1.095 119.257 120.500 -0.246 0.000 2.090 235 R HA -0.050 4.290 4.340 -0.000 0.000 0.219 235 R C 0.925 177.038 176.300 -0.312 0.000 1.100 235 R CA 1.411 57.380 56.100 -0.220 0.000 0.991 235 R CB -0.019 30.124 30.300 -0.262 0.000 0.893 235 R HN 0.398 nan 8.270 nan 0.000 0.443 236 D N -0.320 119.863 120.400 -0.362 0.000 2.355 236 D HA 0.004 4.644 4.640 -0.000 0.000 0.206 236 D C 1.230 177.174 176.300 -0.592 0.000 1.010 236 D CA 0.524 54.287 54.000 -0.395 0.000 0.875 236 D CB 0.542 41.218 40.800 -0.207 0.000 0.966 236 D HN 0.173 nan 8.370 nan 0.000 0.512 237 L N -0.082 120.777 121.223 -0.607 0.000 2.609 237 L HA 0.131 4.471 4.340 -0.000 0.000 0.230 237 L C 0.022 176.608 176.870 -0.474 0.000 1.087 237 L CA 0.332 54.843 54.840 -0.548 0.000 0.874 237 L CB -0.278 41.457 42.059 -0.540 0.000 1.114 237 L HN 0.065 nan 8.230 nan 0.000 0.488 238 H N -1.898 117.075 119.070 -0.162 0.000 2.903 238 H HA -0.090 4.465 4.556 -0.000 0.000 0.285 238 H C -0.421 174.838 175.328 -0.116 0.000 1.231 238 H CA 0.423 56.397 56.048 -0.123 0.000 1.135 238 H CB -2.222 27.479 29.762 -0.101 0.000 1.328 238 H HN 0.066 nan 8.280 nan 0.000 0.388 239 V N 1.047 120.904 119.914 -0.094 0.000 2.495 239 V HA 0.205 4.325 4.120 -0.000 0.000 0.298 239 V C 0.536 176.617 176.094 -0.022 0.000 1.031 239 V CA -0.802 61.461 62.300 -0.062 0.000 0.871 239 V CB 2.505 34.250 31.823 -0.130 0.000 0.988 239 V HN 0.235 nan 8.190 nan 0.000 0.432 240 D N 3.552 123.976 120.400 0.041 0.000 2.316 240 D HA 0.287 4.927 4.640 -0.000 0.000 0.245 240 D C 0.041 176.391 176.300 0.084 0.000 1.171 240 D CA 0.163 54.191 54.000 0.046 0.000 0.856 240 D CB 1.851 42.678 40.800 0.045 0.000 1.090 240 D HN 0.220 nan 8.370 nan 0.000 0.476 241 V N 4.615 124.556 119.914 0.044 0.000 3.548 241 V HA 0.101 4.221 4.120 -0.000 0.000 0.279 241 V C 1.931 178.029 176.094 0.008 0.000 1.446 241 V CA 0.047 62.370 62.300 0.039 0.000 1.023 241 V CB -0.091 31.755 31.823 0.039 0.000 0.820 241 V HN 0.636 nan 8.190 nan 0.000 0.438 242 L N -0.061 121.173 121.223 0.018 0.000 2.141 242 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 242 L C 1.743 178.620 176.870 0.011 0.000 1.094 242 L CA 1.587 56.442 54.840 0.025 0.000 0.763 242 L CB -0.205 41.877 42.059 0.038 0.000 0.908 242 L HN 0.386 nan 8.230 nan 0.000 0.437 243 D N -0.670 119.729 120.400 -0.002 0.000 2.367 243 D HA 0.078 4.718 4.640 -0.000 0.000 0.207 243 D C 0.941 177.215 176.300 -0.043 0.000 1.034 243 D CA 0.020 54.012 54.000 -0.012 0.000 0.861 243 D CB 0.541 41.338 40.800 -0.005 0.000 0.943 243 D HN 0.147 nan 8.370 nan 0.000 0.515 244 L N 1.966 123.140 121.223 -0.082 0.000 2.559 244 L HA 0.050 4.390 4.340 -0.000 0.000 0.274 244 L C 0.173 176.976 176.870 -0.111 0.000 1.205 244 L CA -0.166 54.573 54.840 -0.169 0.000 0.907 244 L CB 0.442 42.319 42.059 -0.304 0.000 1.153 244 L HN -0.077 nan 8.230 nan 0.000 0.490 245 A N 3.832 126.589 122.820 -0.105 0.000 2.396 245 A HA 0.476 4.795 4.320 -0.000 0.000 0.279 245 A C 1.075 178.620 177.584 -0.064 0.000 1.165 245 A CA 0.485 52.487 52.037 -0.059 0.000 0.824 245 A CB 0.224 19.198 19.000 -0.044 0.000 1.100 245 A HN 1.227 nan 8.150 nan 0.000 0.516 246 G N 1.781 110.565 108.800 -0.026 0.000 2.176 246 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.232 246 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.232 246 G C 1.188 176.074 174.900 -0.024 0.000 0.986 246 G CA 0.568 45.657 45.100 -0.018 0.000 0.643 246 G HN 1.744 nan 8.290 nan 0.000 0.522 247 G N 0.521 109.301 108.800 -0.034 0.000 2.509 247 G HA2 0.288 4.248 3.960 -0.000 0.000 0.218 247 G HA3 0.288 4.248 3.960 -0.000 0.000 0.218 247 G C 1.480 176.404 174.900 0.040 0.000 1.124 247 G CA 1.440 46.533 45.100 -0.011 0.000 0.776 247 G HN 1.436 nan 8.290 nan 0.000 0.547 248 G N 0.014 108.848 108.800 0.058 0.000 2.985 248 G HA2 0.421 4.381 3.960 -0.000 0.000 0.209 248 G HA3 0.421 4.381 3.960 -0.000 0.000 0.209 248 G C 0.750 175.692 174.900 0.069 0.000 1.165 248 G CA 0.552 45.715 45.100 0.104 0.000 0.776 248 G HN 0.622 nan 8.290 nan 0.000 0.541 249 A N -0.018 122.792 122.820 -0.017 0.000 2.462 249 A HA 0.575 4.895 4.320 -0.000 0.000 0.243 249 A C 1.437 178.933 177.584 -0.146 0.000 1.076 249 A CA 0.491 52.433 52.037 -0.159 0.000 0.773 249 A CB -0.083 18.842 19.000 -0.124 0.000 1.010 249 A HN 1.935 nan 8.150 nan 0.000 0.493 250 A N 1.425 124.094 122.820 -0.252 0.000 2.519 250 A HA 0.245 4.564 4.320 -0.000 0.000 0.297 250 A C 1.856 179.397 177.584 -0.072 0.000 1.472 250 A CA 1.431 53.372 52.037 -0.159 0.000 0.739 250 A CB -1.771 17.160 19.000 -0.114 0.000 1.096 250 A HN 3.115 nan 8.150 nan 0.000 0.414 251 G N -2.385 106.393 108.800 -0.038 0.000 2.168 251 G HA2 0.341 4.301 3.960 -0.000 0.000 0.257 251 G HA3 0.341 4.301 3.960 -0.000 0.000 0.257 251 G C 1.088 176.016 174.900 0.047 0.000 0.997 251 G CA 0.937 46.052 45.100 0.026 0.000 0.708 251 G HN 3.333 nan 8.290 nan 0.000 0.520 255 A N 1.253 124.132 122.820 0.098 0.000 1.929 255 A HA 0.531 4.850 4.320 -0.000 0.000 0.216 255 A C 2.675 180.390 177.584 0.220 0.000 1.176 255 A CA 2.434 54.555 52.037 0.139 0.000 0.628 255 A CB -0.682 18.382 19.000 0.106 0.000 0.816 255 A HN 1.281 nan 8.150 nan 0.000 0.444 256 A N -0.272 122.682 122.820 0.223 0.000 1.898 256 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 256 A C 2.159 179.890 177.584 0.244 0.000 1.181 256 A CA 1.416 53.623 52.037 0.282 0.000 0.620 256 A CB -0.556 18.513 19.000 0.115 0.000 0.819 256 A HN 0.449 nan 8.150 nan 0.000 0.442 257 L N -2.229 119.077 121.223 0.140 0.000 2.017 257 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 257 L C 2.547 179.513 176.870 0.160 0.000 1.073 257 L CA 1.847 56.749 54.840 0.104 0.000 0.745 257 L CB -0.598 41.491 42.059 0.050 0.000 0.894 257 L HN 0.613 nan 8.230 nan 0.000 0.432 258 Y N 0.321 120.651 120.300 0.050 0.000 2.097 258 Y HA -0.354 4.196 4.550 -0.000 0.000 0.282 258 Y C 2.421 178.342 175.900 0.036 0.000 1.152 258 Y CA 1.874 59.997 58.100 0.037 0.000 1.136 258 Y CB -0.119 38.355 38.460 0.024 0.000 0.975 258 Y HN 0.130 nan 8.280 nan 0.000 0.498 259 A N -1.040 121.843 122.820 0.105 0.000 1.930 259 A HA -0.022 4.298 4.320 -0.000 0.000 0.215 259 A C 1.803 179.276 177.584 -0.185 0.000 1.176 259 A CA 1.272 53.243 52.037 -0.110 0.000 0.632 259 A CB -0.969 17.981 19.000 -0.083 0.000 0.819 259 A HN 0.514 nan 8.150 nan 0.000 0.445 260 F N -1.188 118.706 119.950 -0.094 0.000 2.317 260 F HA 0.018 4.545 4.527 -0.001 0.000 0.290 260 F C 2.230 177.975 175.800 -0.091 0.000 1.075 260 F CA 0.810 58.757 58.000 -0.089 0.000 1.380 260 F CB -0.337 38.624 39.000 -0.066 0.000 1.093 260 F HN 0.193 nan 8.300 nan 0.000 0.524 261 C N -0.519 118.852 119.300 0.118 0.000 2.799 261 C HA 0.496 4.956 4.460 -0.000 0.000 0.267 261 C C 1.895 176.879 174.990 -0.011 0.000 1.257 261 C CA 0.153 59.192 59.018 0.034 0.000 1.702 261 C CB -0.740 27.011 27.740 0.018 0.000 1.934 261 C HN 0.753 nan 8.230 nan 0.000 0.594 262 G N 1.337 110.103 108.800 -0.057 0.000 2.198 262 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.260 262 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.260 262 G C 0.146 175.034 174.900 -0.019 0.000 1.025 262 G CA 0.322 45.366 45.100 -0.092 0.000 0.769 262 G HN 0.945 nan 8.290 nan 0.000 0.507 263 A N -0.630 122.203 122.820 0.022 0.000 2.407 263 A HA 0.621 4.941 4.320 -0.000 0.000 0.248 263 A C 0.595 178.266 177.584 0.144 0.000 1.082 263 A CA 0.257 52.334 52.037 0.067 0.000 0.785 263 A CB 0.338 19.373 19.000 0.059 0.000 1.020 263 A HN 0.629 nan 8.150 nan 0.000 0.489 264 Q N 0.626 120.501 119.800 0.124 0.000 2.257 264 Q HA 0.480 4.820 4.340 -0.000 0.000 0.255 264 Q C -1.435 174.622 176.000 0.096 0.000 0.920 264 Q CA -0.684 55.209 55.803 0.150 0.000 0.927 264 Q CB 1.459 30.287 28.738 0.151 0.000 1.229 264 Q HN 0.506 nan 8.270 nan 0.000 0.433 265 L N 3.514 124.790 121.223 0.088 0.000 2.265 265 L HA 0.405 4.745 4.340 -0.000 0.000 0.288 265 L C 0.003 176.892 176.870 0.031 0.000 1.058 265 L CA 0.542 55.403 54.840 0.036 0.000 0.809 265 L CB 0.407 42.466 42.059 -0.000 0.000 1.179 265 L HN 0.489 nan 8.230 nan 0.000 0.429 266 R N 2.552 123.068 120.500 0.026 0.000 2.774 266 R HA 0.532 4.871 4.340 -0.000 0.000 0.272 266 R C -0.656 175.654 176.300 0.018 0.000 1.000 266 R CA -1.182 54.935 56.100 0.029 0.000 0.906 266 R CB 2.017 32.344 30.300 0.046 0.000 1.227 266 R HN 0.444 nan 8.270 nan 0.000 0.468 267 R N 0.287 120.798 120.500 0.017 0.000 2.522 267 R HA -0.009 4.330 4.340 -0.000 0.000 0.284 267 R C 1.338 177.646 176.300 0.013 0.000 1.032 267 R CA 0.530 56.637 56.100 0.011 0.000 1.049 267 R CB 0.408 30.713 30.300 0.010 0.000 0.956 267 R HN 0.924 nan 8.270 nan 0.000 0.422 268 G N 3.046 111.852 108.800 0.009 0.000 2.440 268 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 268 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 268 G C 1.226 176.130 174.900 0.008 0.000 1.154 268 G CA 0.498 45.603 45.100 0.008 0.000 0.767 268 G HN 0.600 nan 8.290 nan 0.000 0.552 269 I N 0.881 121.456 120.570 0.008 0.000 2.361 269 I HA -0.067 4.103 4.170 -0.000 0.000 0.251 269 I C 2.483 178.604 176.117 0.008 0.000 1.133 269 I CA 1.217 62.520 61.300 0.005 0.000 1.413 269 I CB -0.276 37.726 38.000 0.003 0.000 1.073 269 I HN 0.323 nan 8.210 nan 0.000 0.424 270 E N 0.178 120.387 120.200 0.016 0.000 2.072 270 E HA -0.170 4.180 4.350 -0.000 0.000 0.190 270 E C 2.337 178.958 176.600 0.034 0.000 0.982 270 E CA 1.504 57.920 56.400 0.026 0.000 0.803 270 E CB -0.180 29.538 29.700 0.032 0.000 0.755 270 E HN 0.507 nan 8.360 nan 0.000 0.453 271 I N 0.829 121.421 120.570 0.037 0.000 2.163 271 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 271 I C 2.361 178.502 176.117 0.039 0.000 1.085 271 I CA 1.001 62.333 61.300 0.053 0.000 1.347 271 I CB -0.243 37.783 38.000 0.042 0.000 1.044 271 I HN -0.000 nan 8.210 nan 0.000 0.408 272 V N -0.074 119.845 119.914 0.008 0.000 2.323 272 V HA -0.240 3.880 4.120 -0.000 0.000 0.244 272 V C 2.476 178.545 176.094 -0.041 0.000 1.041 272 V CA 2.235 64.520 62.300 -0.025 0.000 1.025 272 V CB -0.731 31.069 31.823 -0.038 0.000 0.656 272 V HN 0.426 nan 8.190 nan 0.000 0.451 273 T N 0.041 114.582 114.554 -0.022 0.000 2.653 273 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 273 T C 1.610 176.294 174.700 -0.026 0.000 1.035 273 T CA 2.092 64.180 62.100 -0.019 0.000 1.154 273 T CB -0.382 68.487 68.868 0.003 0.000 0.862 273 T HN 0.511 nan 8.240 nan 0.000 0.441 274 D N 0.896 121.292 120.400 -0.006 0.000 2.097 274 D HA 0.035 4.675 4.640 -0.000 0.000 0.197 274 D C 2.346 178.571 176.300 -0.125 0.000 0.984 274 D CA 1.252 55.251 54.000 -0.001 0.000 0.826 274 D CB -0.637 40.193 40.800 0.050 0.000 0.973 274 D HN 0.407 nan 8.370 nan 0.000 0.460 275 A N 0.422 123.176 122.820 -0.110 0.000 1.933 275 A HA -0.089 4.230 4.320 -0.000 0.000 0.218 275 A C 2.135 179.415 177.584 -0.508 0.000 1.175 275 A CA 0.967 52.898 52.037 -0.177 0.000 0.628 275 A CB -0.606 18.430 19.000 0.059 0.000 0.814 275 A HN 0.248 nan 8.150 nan 0.000 0.444 276 L N -1.879 119.125 121.223 -0.366 0.000 2.592 276 L HA 0.139 4.478 4.340 -0.000 0.000 0.227 276 L C -0.050 176.681 176.870 -0.231 0.000 1.127 276 L CA 0.012 54.671 54.840 -0.302 0.000 0.884 276 L CB -0.579 41.399 42.059 -0.134 0.000 1.065 276 L HN 0.656 nan 8.230 nan 0.000 0.457 277 H N -2.292 116.784 119.070 0.010 0.000 2.756 277 H HA -0.197 4.358 4.556 -0.000 0.000 0.315 277 H C 1.312 176.626 175.328 -0.023 0.000 1.210 277 H CA 0.215 56.261 56.048 -0.003 0.000 1.150 277 H CB -1.444 28.316 29.762 -0.003 0.000 1.463 277 H HN 0.192 nan 8.280 nan 0.000 0.427 278 L N 0.923 122.163 121.223 0.028 0.000 2.012 278 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 278 L C 2.414 179.262 176.870 -0.036 0.000 1.073 278 L CA 2.628 57.465 54.840 -0.006 0.000 0.748 278 L CB -0.495 41.555 42.059 -0.014 0.000 0.891 278 L HN 0.588 nan 8.230 nan 0.000 0.431 279 E N -0.674 119.510 120.200 -0.026 0.000 2.070 279 E HA -0.286 4.064 4.350 -0.000 0.000 0.197 279 E C 2.065 178.551 176.600 -0.189 0.000 1.004 279 E CA 1.475 57.818 56.400 -0.095 0.000 0.805 279 E CB -0.251 29.457 29.700 0.014 0.000 0.744 279 E HN 0.625 nan 8.360 nan 0.000 0.451 280 A N 0.343 123.119 122.820 -0.074 0.000 1.902 280 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 280 A C 2.497 180.020 177.584 -0.101 0.000 1.181 280 A CA 1.482 53.471 52.037 -0.080 0.000 0.623 280 A CB -0.907 18.079 19.000 -0.023 0.000 0.818 280 A HN 0.563 nan 8.150 nan 0.000 0.443 281 C N -1.107 118.153 119.300 -0.067 0.000 2.429 281 C HA -0.058 4.402 4.460 -0.000 0.000 0.277 281 C C 2.476 177.396 174.990 -0.115 0.000 1.262 281 C CA 0.949 59.925 59.018 -0.069 0.000 1.733 281 C CB -1.410 26.308 27.740 -0.036 0.000 2.010 281 C HN 0.535 nan 8.230 nan 0.000 0.483 282 L N 1.403 122.525 121.223 -0.168 0.000 2.156 282 L HA 0.042 4.382 4.340 -0.000 0.000 0.208 282 L C 2.709 179.393 176.870 -0.311 0.000 1.095 282 L CA 1.752 56.467 54.840 -0.209 0.000 0.770 282 L CB -1.298 40.625 42.059 -0.226 0.000 0.914 282 L HN 0.297 nan 8.230 nan 0.000 0.439 283 A N -0.847 121.689 122.820 -0.474 0.000 1.978 283 A HA -0.258 4.061 4.320 -0.000 0.000 0.220 283 A C 2.119 179.606 177.584 -0.162 0.000 1.170 283 A CA 2.056 53.766 52.037 -0.545 0.000 0.636 283 A CB -0.516 18.226 19.000 -0.430 0.000 0.810 283 A HN 0.391 nan 8.150 nan 0.000 0.448 284 D N -0.708 119.613 120.400 -0.131 0.000 2.249 284 D HA 0.262 4.901 4.640 -0.000 0.000 0.205 284 D C 1.032 177.292 176.300 -0.067 0.000 0.962 284 D CA 0.755 54.712 54.000 -0.073 0.000 0.860 284 D CB -0.182 40.574 40.800 -0.073 0.000 0.955 284 D HN 0.422 nan 8.370 nan 0.000 0.505 285 A N 0.371 123.143 122.820 -0.081 0.000 2.406 285 A HA 0.078 4.398 4.320 -0.000 0.000 0.243 285 A C 0.989 178.540 177.584 -0.054 0.000 1.082 285 A CA 0.083 52.075 52.037 -0.074 0.000 0.786 285 A CB 0.301 19.257 19.000 -0.075 0.000 1.029 285 A HN 0.099 nan 8.150 nan 0.000 0.495 286 D N -1.040 119.319 120.400 -0.069 0.000 2.301 286 D HA 0.170 4.810 4.640 -0.000 0.000 0.206 286 D C -0.280 176.009 176.300 -0.019 0.000 0.979 286 D CA 0.901 54.870 54.000 -0.053 0.000 0.874 286 D CB 0.350 41.091 40.800 -0.098 0.000 0.968 286 D HN 0.279 nan 8.370 nan 0.000 0.510 287 L N 0.544 121.753 121.223 -0.023 0.000 2.549 287 L HA 0.306 4.646 4.340 -0.000 0.000 0.259 287 L C -1.768 175.097 176.870 -0.008 0.000 0.934 287 L CA -0.675 54.176 54.840 0.019 0.000 0.865 287 L CB 2.377 44.473 42.059 0.061 0.000 1.352 287 L HN -0.351 nan 8.230 nan 0.000 0.410 288 V N 5.601 125.525 119.914 0.017 0.000 2.448 288 V HA 0.616 4.736 4.120 -0.000 0.000 0.295 288 V C -0.414 175.689 176.094 0.015 0.000 1.025 288 V CA -0.538 61.762 62.300 -0.000 0.000 0.859 288 V CB 1.703 33.531 31.823 0.008 0.000 0.988 288 V HN 0.509 nan 8.190 nan 0.000 0.431 289 I N 3.604 124.160 120.570 -0.023 0.000 2.433 289 I HA 0.667 4.837 4.170 -0.000 0.000 0.292 289 I C 0.189 176.317 176.117 0.018 0.000 1.001 289 I CA 0.034 61.334 61.300 -0.000 0.000 1.119 289 I CB 1.680 39.624 38.000 -0.094 0.000 1.289 289 I HN 0.732 nan 8.210 nan 0.000 0.438 290 T N 2.901 117.490 114.554 0.058 0.000 2.618 290 T HA 0.932 5.282 4.350 -0.000 0.000 0.286 290 T C -0.472 174.286 174.700 0.096 0.000 1.027 290 T CA -0.026 62.109 62.100 0.059 0.000 1.063 290 T CB 2.071 70.967 68.868 0.046 0.000 1.440 290 T HN 1.065 nan 8.240 nan 0.000 0.505 291 G N 0.087 108.947 108.800 0.099 0.000 2.327 291 G HA2 0.524 4.484 3.960 -0.000 0.000 0.291 291 G HA3 0.524 4.484 3.960 -0.000 0.000 0.291 291 G C -1.935 173.041 174.900 0.127 0.000 1.290 291 G CA 0.089 45.270 45.100 0.136 0.000 0.857 291 G HN 1.077 nan 8.290 nan 0.000 0.520 292 E N -1.985 118.279 120.200 0.108 0.000 2.403 292 E HA 0.575 4.925 4.350 -0.000 0.000 0.280 292 E C -0.595 175.815 176.600 -0.317 0.000 1.101 292 E CA -0.802 55.607 56.400 0.015 0.000 0.856 292 E CB 1.228 30.927 29.700 -0.001 0.000 1.303 292 E HN 1.653 nan 8.360 nan 0.000 0.441 293 G N 0.922 109.463 108.800 -0.431 0.000 2.666 293 G HA2 0.618 4.578 3.960 -0.000 0.000 0.303 293 G HA3 0.618 4.578 3.960 -0.000 0.000 0.303 293 G C -1.092 173.766 174.900 -0.070 0.000 1.412 293 G CA -0.736 43.997 45.100 -0.612 0.000 0.979 293 G HN 0.202 nan 8.290 nan 0.000 0.507 294 R N 2.035 122.538 120.500 0.004 0.000 2.803 294 R HA 0.550 4.890 4.340 -0.000 0.000 0.276 294 R C -0.017 176.253 176.300 -0.051 0.000 0.978 294 R CA -1.019 55.082 56.100 0.001 0.000 0.939 294 R CB 2.038 32.297 30.300 -0.069 0.000 1.179 294 R HN 0.457 nan 8.270 nan 0.000 0.472 295 I N 0.146 120.671 120.570 -0.075 0.000 2.899 295 I HA 0.038 4.208 4.170 -0.000 0.000 0.257 295 I C 0.260 176.307 176.117 -0.117 0.000 1.115 295 I CA 0.707 61.910 61.300 -0.161 0.000 1.451 295 I CB 0.122 38.054 38.000 -0.115 0.000 1.251 295 I HN 0.507 nan 8.210 nan 0.000 0.456 296 D N -0.511 119.840 120.400 -0.081 0.000 2.304 296 D HA 0.065 4.705 4.640 -0.000 0.000 0.250 296 D C 1.249 177.503 176.300 -0.076 0.000 1.107 296 D CA 0.500 54.461 54.000 -0.066 0.000 0.885 296 D CB 1.350 42.120 40.800 -0.051 0.000 1.192 296 D HN 0.184 nan 8.370 nan 0.000 0.436 297 S N 3.069 118.734 115.700 -0.057 0.000 2.489 297 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 297 S C 1.340 175.919 174.600 -0.035 0.000 0.995 297 S CA 0.342 58.514 58.200 -0.046 0.000 0.934 297 S CB 0.012 63.196 63.200 -0.028 0.000 0.771 297 S HN 0.455 nan 8.310 nan 0.000 0.522 298 Q N 1.931 121.713 119.800 -0.030 0.000 2.083 298 Q HA -0.023 4.317 4.340 -0.000 0.000 0.198 298 Q C 2.187 178.160 176.000 -0.044 0.000 0.969 298 Q CA 1.928 57.737 55.803 0.010 0.000 0.838 298 Q CB -1.335 27.419 28.738 0.027 0.000 0.900 298 Q HN 0.854 nan 8.270 nan 0.000 0.436 299 T N -1.449 112.984 114.554 -0.203 0.000 3.272 299 T HA 0.129 4.478 4.350 -0.000 0.000 0.250 299 T C 0.624 174.865 174.700 -0.765 0.000 1.082 299 T CA -0.337 61.414 62.100 -0.583 0.000 0.968 299 T CB -0.465 68.245 68.868 -0.263 0.000 1.015 299 T HN -0.043 nan 8.240 nan 0.000 0.563 300 I N 3.319 123.640 120.570 -0.416 0.000 2.278 300 I HA 0.268 4.438 4.170 -0.000 0.000 0.300 300 I C -0.847 175.240 176.117 -0.049 0.000 1.174 300 I CA -1.463 59.719 61.300 -0.196 0.000 1.347 300 I CB -1.220 36.741 38.000 -0.066 0.000 1.473 300 I HN 0.352 nan 8.210 nan 0.000 0.595 301 H N 4.328 123.404 119.070 0.011 0.000 2.727 301 H HA 0.463 5.018 4.556 -0.001 0.000 0.330 301 H C 0.726 176.055 175.328 0.002 0.000 0.986 301 H CA -0.936 55.118 56.048 0.011 0.000 1.251 301 H CB 1.500 31.270 29.762 0.012 0.000 1.493 301 H HN 0.552 nan 8.280 nan 0.000 0.515 302 G N 2.704 111.571 108.800 0.112 0.000 3.455 302 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.250 302 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.250 302 G C 0.869 175.780 174.900 0.017 0.000 1.071 302 G CA -0.263 44.865 45.100 0.047 0.000 1.812 302 G HN 0.583 nan 8.290 nan 0.000 0.643 303 K N -0.380 120.046 120.400 0.042 0.000 2.026 303 K HA -0.083 4.236 4.320 -0.000 0.000 0.208 303 K C 2.426 179.027 176.600 0.001 0.000 1.048 303 K CA 1.044 57.342 56.287 0.018 0.000 0.929 303 K CB 0.035 32.561 32.500 0.043 0.000 0.713 303 K HN 0.298 nan 8.250 nan 0.000 0.439 304 V N 0.920 120.841 119.914 0.012 0.000 2.273 304 V HA -0.118 4.002 4.120 -0.000 0.000 0.242 304 V C -1.253 174.845 176.094 0.006 0.000 1.035 304 V CA 1.430 63.735 62.300 0.008 0.000 1.013 304 V CB -0.961 30.871 31.823 0.015 0.000 0.652 304 V HN 0.183 nan 8.190 nan 0.000 0.452 305 P HA -0.169 nan 4.420 nan 0.000 0.216 305 P C 1.768 179.065 177.300 -0.004 0.000 1.153 305 P CA 1.756 64.866 63.100 0.017 0.000 0.858 305 P CB -0.040 31.677 31.700 0.030 0.000 0.789 306 I N -1.283 119.261 120.570 -0.043 0.000 2.353 306 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 306 I C 2.481 178.559 176.117 -0.064 0.000 1.119 306 I CA 1.606 62.843 61.300 -0.105 0.000 1.417 306 I CB -1.067 36.780 38.000 -0.256 0.000 1.078 306 I HN 0.003 nan 8.210 nan 0.000 0.421 307 G N 0.475 109.251 108.800 -0.040 0.000 2.402 307 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.216 307 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.216 307 G C 1.715 176.618 174.900 0.005 0.000 1.162 307 G CA 0.639 45.730 45.100 -0.015 0.000 0.777 307 G HN 0.204 nan 8.290 nan 0.000 0.539 308 V N 1.698 121.615 119.914 0.006 0.000 2.255 308 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 308 V C 3.346 179.457 176.094 0.028 0.000 1.051 308 V CA 2.190 64.499 62.300 0.016 0.000 1.018 308 V CB -0.956 30.876 31.823 0.015 0.000 0.641 308 V HN 0.466 nan 8.190 nan 0.000 0.445 309 A N 0.132 122.968 122.820 0.027 0.000 1.933 309 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 309 A C 2.057 179.672 177.584 0.051 0.000 1.175 309 A CA 1.924 53.987 52.037 0.043 0.000 0.628 309 A CB -0.676 18.351 19.000 0.045 0.000 0.814 309 A HN 0.593 nan 8.150 nan 0.000 0.444 310 N N 0.090 118.812 118.700 0.037 0.000 2.166 310 N HA -0.098 4.642 4.740 -0.000 0.000 0.186 310 N C 1.602 177.156 175.510 0.073 0.000 1.019 310 N CA 1.519 54.596 53.050 0.046 0.000 0.856 310 N CB -0.377 38.125 38.487 0.025 0.000 0.993 310 N HN 0.597 nan 8.380 nan 0.000 0.426 311 I N 0.708 121.327 120.570 0.082 0.000 2.277 311 I HA -0.127 4.043 4.170 -0.000 0.000 0.243 311 I C 2.288 178.525 176.117 0.200 0.000 1.094 311 I CA 0.636 62.016 61.300 0.133 0.000 1.393 311 I CB -0.266 37.788 38.000 0.089 0.000 1.078 311 I HN 0.015 nan 8.210 nan 0.000 0.417 312 A N 1.775 124.673 122.820 0.130 0.000 1.908 312 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 312 A C 2.381 180.070 177.584 0.174 0.000 1.181 312 A CA 2.205 54.326 52.037 0.139 0.000 0.627 312 A CB -0.659 18.388 19.000 0.080 0.000 0.818 312 A HN 0.517 nan 8.150 nan 0.000 0.445 313 K N -0.503 119.970 120.400 0.122 0.000 2.148 313 K HA -0.126 4.193 4.320 -0.000 0.000 0.204 313 K C 1.878 178.514 176.600 0.060 0.000 1.050 313 K CA 1.267 57.605 56.287 0.085 0.000 0.942 313 K CB -0.349 32.189 32.500 0.063 0.000 0.724 313 K HN 0.396 nan 8.250 nan 0.000 0.446 314 R N -0.418 120.120 120.500 0.063 0.000 2.200 314 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 314 R C 0.858 176.992 176.300 -0.277 0.000 1.127 314 R CA 1.421 57.472 56.100 -0.082 0.000 0.989 314 R CB -0.157 30.094 30.300 -0.082 0.000 0.869 314 R HN 0.397 nan 8.270 nan 0.000 0.459 315 Y N -0.407 119.901 120.300 0.013 0.000 2.531 315 Y HA 0.223 4.773 4.550 -0.001 0.000 0.249 315 Y C 0.272 176.178 175.900 0.011 0.000 1.168 315 Y CA -0.590 57.516 58.100 0.010 0.000 1.226 315 Y CB 0.337 38.802 38.460 0.008 0.000 1.177 315 Y HN 0.001 nan 8.280 nan 0.000 0.527 316 N N 1.145 119.911 118.700 0.111 0.000 2.735 316 N HA -0.173 4.567 4.740 -0.000 0.000 0.248 316 N C -1.003 174.560 175.510 0.089 0.000 1.083 316 N CA 0.716 53.811 53.050 0.077 0.000 0.703 316 N CB -0.481 38.033 38.487 0.046 0.000 1.005 316 N HN 0.208 nan 8.380 nan 0.000 0.550 317 K N 0.986 121.451 120.400 0.109 0.000 2.143 317 K HA 0.399 4.719 4.320 -0.000 0.000 0.272 317 K C -1.985 174.659 176.600 0.074 0.000 1.001 317 K CA -1.600 54.736 56.287 0.082 0.000 0.915 317 K CB 0.601 33.144 32.500 0.070 0.000 1.047 317 K HN 0.062 nan 8.250 nan 0.000 0.458 318 P HA 0.074 nan 4.420 nan 0.000 0.271 318 P C -0.531 176.820 177.300 0.086 0.000 1.220 318 P CA -0.336 62.813 63.100 0.082 0.000 0.768 318 P CB 0.933 32.690 31.700 0.095 0.000 0.848 319 V N 5.325 125.293 119.914 0.089 0.000 2.588 319 V HA 0.536 4.656 4.120 -0.000 0.000 0.304 319 V C -0.901 175.258 176.094 0.109 0.000 1.042 319 V CA -0.957 61.395 62.300 0.088 0.000 0.877 319 V CB 1.348 33.213 31.823 0.070 0.000 0.996 319 V HN 0.337 nan 8.190 nan 0.000 0.425 320 I N 6.206 126.857 120.570 0.135 0.000 2.465 320 I HA 0.604 4.774 4.170 -0.000 0.000 0.291 320 I C 0.584 176.805 176.117 0.173 0.000 1.014 320 I CA -0.531 60.879 61.300 0.183 0.000 1.093 320 I CB 1.962 40.133 38.000 0.286 0.000 1.267 320 I HN 0.760 nan 8.210 nan 0.000 0.431 321 G N 6.519 115.417 108.800 0.163 0.000 2.388 321 G HA2 0.716 4.676 3.960 -0.000 0.000 0.330 321 G HA3 0.716 4.676 3.960 -0.000 0.000 0.330 321 G C -0.670 174.362 174.900 0.220 0.000 1.142 321 G CA -0.452 44.740 45.100 0.155 0.000 0.908 321 G HN 0.520 nan 8.290 nan 0.000 0.473 322 I N 2.175 122.875 120.570 0.217 0.000 2.428 322 I HA 0.380 4.550 4.170 -0.000 0.000 0.279 322 I C 0.328 176.598 176.117 0.255 0.000 1.040 322 I CA -0.621 60.833 61.300 0.256 0.000 1.171 322 I CB 1.520 39.663 38.000 0.237 0.000 1.312 322 I HN 0.501 nan 8.210 nan 0.000 0.470 323 A N 4.877 127.808 122.820 0.185 0.000 2.260 323 A HA 0.757 5.076 4.320 -0.000 0.000 0.314 323 A C 0.318 177.907 177.584 0.008 0.000 1.257 323 A CA -0.442 51.634 52.037 0.065 0.000 0.871 323 A CB 0.846 19.875 19.000 0.047 0.000 1.166 323 A HN 0.740 nan 8.150 nan 0.000 0.522 324 G N 1.510 110.121 108.800 -0.315 0.000 2.356 324 G HA2 0.561 4.521 3.960 -0.000 0.000 0.298 324 G HA3 0.561 4.521 3.960 -0.000 0.000 0.298 324 G C -0.072 174.863 174.900 0.057 0.000 1.145 324 G CA 0.342 45.300 45.100 -0.237 0.000 0.850 324 G HN 1.461 nan 8.290 nan 0.000 0.487 325 S N 1.057 116.854 115.700 0.161 0.000 2.625 325 S HA 0.402 4.872 4.470 -0.000 0.000 0.271 325 S C 0.244 174.753 174.600 -0.151 0.000 1.161 325 S CA -0.745 57.438 58.200 -0.027 0.000 0.820 325 S CB 1.491 64.683 63.200 -0.013 0.000 1.137 325 S HN 0.248 nan 8.310 nan 0.000 0.470 326 L N 1.463 122.566 121.223 -0.200 0.000 2.131 326 L HA 0.258 4.598 4.340 -0.000 0.000 0.206 326 L C 1.296 178.112 176.870 -0.090 0.000 1.087 326 L CA 2.204 56.929 54.840 -0.191 0.000 0.767 326 L CB -0.676 41.280 42.059 -0.171 0.000 0.917 326 L HN 1.130 nan 8.230 nan 0.000 0.441 327 T N -4.085 110.435 114.554 -0.057 0.000 2.883 327 T HA 0.842 5.192 4.350 -0.000 0.000 0.296 327 T C -0.509 174.187 174.700 -0.007 0.000 1.117 327 T CA -0.284 61.801 62.100 -0.024 0.000 1.006 327 T CB 2.213 71.067 68.868 -0.023 0.000 1.191 327 T HN 0.113 nan 8.240 nan 0.000 0.508 337 G N 0.379 109.283 108.800 0.175 0.000 2.278 337 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.210 337 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.210 337 G C 0.225 175.177 174.900 0.085 0.000 1.000 337 G CA 0.046 45.219 45.100 0.121 0.000 0.635 337 G HN 0.222 nan 8.290 nan 0.000 0.495 338 L N 1.581 122.854 121.223 0.084 0.000 2.426 338 L HA 0.253 4.593 4.340 -0.000 0.000 0.271 338 L C 1.107 178.009 176.870 0.053 0.000 1.169 338 L CA -0.093 54.786 54.840 0.066 0.000 0.836 338 L CB 0.459 42.554 42.059 0.060 0.000 1.112 338 L HN 0.104 nan 8.230 nan 0.000 0.465 339 D N 1.531 121.967 120.400 0.059 0.000 2.194 339 D HA 0.076 4.716 4.640 -0.000 0.000 0.204 339 D C 0.442 176.757 176.300 0.026 0.000 0.964 339 D CA 0.946 54.977 54.000 0.052 0.000 0.846 339 D CB 0.641 41.486 40.800 0.074 0.000 0.962 339 D HN 0.608 nan 8.370 nan 0.000 0.490 340 A N 0.095 122.926 122.820 0.019 0.000 2.594 340 A HA 0.534 4.853 4.320 -0.000 0.000 0.295 340 A C -1.565 175.950 177.584 -0.116 0.000 1.071 340 A CA -0.517 51.467 52.037 -0.088 0.000 0.685 340 A CB 2.389 21.358 19.000 -0.052 0.000 1.285 340 A HN -0.058 nan 8.150 nan 0.000 0.405 341 V N 1.817 121.542 119.914 -0.314 0.000 2.686 341 V HA 0.807 4.927 4.120 -0.000 0.000 0.306 341 V C -1.855 173.945 176.094 -0.491 0.000 1.065 341 V CA -0.640 61.537 62.300 -0.205 0.000 0.894 341 V CB 1.474 33.254 31.823 -0.072 0.000 1.004 341 V HN 0.770 nan 8.190 nan 0.000 0.424 342 F N 4.035 124.028 119.950 0.072 0.000 2.508 342 F HA 0.701 5.228 4.527 -0.000 0.000 0.325 342 F C 0.521 176.365 175.800 0.074 0.000 1.090 342 F CA -0.468 57.572 58.000 0.066 0.000 0.945 342 F CB 2.388 41.428 39.000 0.067 0.000 1.156 342 F HN 0.549 nan 8.300 nan 0.000 0.463 343 S N 1.555 117.395 115.700 0.234 0.000 2.565 343 S HA 0.854 5.323 4.470 -0.000 0.000 0.290 343 S C -1.131 173.577 174.600 0.181 0.000 1.150 343 S CA -0.600 57.701 58.200 0.168 0.000 1.058 343 S CB 1.578 64.841 63.200 0.105 0.000 1.032 343 S HN 0.402 nan 8.310 nan 0.000 0.510 344 V N 4.011 124.040 119.914 0.192 0.000 2.531 344 V HA 0.418 4.538 4.120 -0.000 0.000 0.301 344 V C -0.477 175.759 176.094 0.236 0.000 1.034 344 V CA -0.912 61.517 62.300 0.215 0.000 0.865 344 V CB 1.492 33.486 31.823 0.285 0.000 0.995 344 V HN 0.846 nan 8.190 nan 0.000 0.424 345 I N 6.038 126.721 120.570 0.188 0.000 2.395 345 I HA 0.432 4.602 4.170 -0.000 0.000 0.289 345 I C -0.136 176.140 176.117 0.265 0.000 1.023 345 I CA 0.021 61.420 61.300 0.166 0.000 1.350 345 I CB 0.695 38.747 38.000 0.086 0.000 1.409 345 I HN 0.848 nan 8.210 nan 0.000 0.507 346 Y N 3.492 123.831 120.300 0.064 0.000 2.728 346 Y HA 0.801 5.351 4.550 -0.000 0.000 0.330 346 Y C -0.452 175.476 175.900 0.047 0.000 1.234 346 Y CA -1.129 57.017 58.100 0.077 0.000 1.070 346 Y CB 1.139 39.690 38.460 0.151 0.000 1.300 346 Y HN 0.592 nan 8.280 nan 0.000 0.467 347 T N -1.169 113.401 114.554 0.027 0.000 2.838 347 T HA 0.670 5.020 4.350 -0.000 0.000 0.292 347 T C -0.848 173.882 174.700 0.050 0.000 1.113 347 T CA -0.948 61.100 62.100 -0.087 0.000 1.008 347 T CB 1.335 70.199 68.868 -0.007 0.000 1.259 347 T HN 0.714 nan 8.240 nan 0.000 0.520 348 I N 1.567 122.140 120.570 0.004 0.000 2.556 348 I HA 0.176 4.346 4.170 -0.000 0.000 0.284 348 I C 1.616 177.777 176.117 0.072 0.000 1.114 348 I CA -0.585 60.751 61.300 0.059 0.000 1.418 348 I CB 0.531 38.542 38.000 0.020 0.000 1.394 348 I HN 0.942 nan 8.210 nan 0.000 0.552 349 C N 2.264 121.618 119.300 0.089 0.000 2.694 349 C HA 0.195 4.655 4.460 -0.000 0.000 0.455 349 C C 1.199 176.215 174.990 0.044 0.000 1.293 349 C CA -0.599 58.462 59.018 0.071 0.000 1.614 349 C CB -2.360 25.424 27.740 0.073 0.000 2.015 349 C HN 0.830 nan 8.230 nan 0.000 0.608 350 T N 1.305 115.880 114.554 0.035 0.000 3.393 350 T HA 0.134 4.483 4.350 -0.000 0.000 0.248 350 T C 1.143 175.855 174.700 0.020 0.000 0.992 350 T CA 0.428 62.543 62.100 0.024 0.000 0.929 350 T CB -0.319 68.560 68.868 0.019 0.000 1.065 350 T HN 0.625 nan 8.240 nan 0.000 0.597 351 L N 0.395 121.632 121.223 0.023 0.000 2.713 351 L HA 0.320 4.660 4.340 -0.000 0.000 0.223 351 L C 1.522 178.402 176.870 0.016 0.000 1.040 351 L CA 1.181 56.032 54.840 0.018 0.000 0.894 351 L CB 0.146 42.217 42.059 0.019 0.000 1.361 351 L HN 0.340 nan 8.230 nan 0.000 0.490 352 E N -0.044 120.168 120.200 0.020 0.000 4.979 352 E HA -0.373 3.976 4.350 -0.000 0.000 0.189 352 E C 1.170 177.777 176.600 0.011 0.000 1.006 352 E CA 1.656 58.064 56.400 0.014 0.000 2.188 352 E CB -1.725 27.979 29.700 0.007 0.000 1.757 352 E HN 0.354 nan 8.360 nan 0.000 0.479 353 D N 0.105 120.512 120.400 0.011 0.000 2.158 353 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 353 D C 1.785 178.096 176.300 0.019 0.000 0.995 353 D CA 2.689 56.695 54.000 0.011 0.000 0.846 353 D CB -0.569 40.238 40.800 0.010 0.000 0.941 353 D HN 0.580 nan 8.370 nan 0.000 0.456 354 A N -0.105 122.732 122.820 0.029 0.000 1.968 354 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 354 A C 2.443 180.059 177.584 0.053 0.000 1.169 354 A CA 0.538 52.604 52.037 0.048 0.000 0.638 354 A CB -0.655 18.381 19.000 0.060 0.000 0.812 354 A HN 0.373 nan 8.150 nan 0.000 0.446 355 L N -0.369 120.876 121.223 0.036 0.000 2.042 355 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 355 L C 2.710 179.576 176.870 -0.006 0.000 1.076 355 L CA 2.071 56.922 54.840 0.017 0.000 0.749 355 L CB -0.309 41.754 42.059 0.006 0.000 0.893 355 L HN 0.495 nan 8.230 nan 0.000 0.432 356 K N -0.066 120.331 120.400 -0.004 0.000 2.057 356 K HA -0.196 4.123 4.320 -0.000 0.000 0.207 356 K C 1.762 178.355 176.600 -0.011 0.000 1.049 356 K CA 1.538 57.817 56.287 -0.013 0.000 0.931 356 K CB -0.008 32.487 32.500 -0.009 0.000 0.714 356 K HN 0.358 nan 8.250 nan 0.000 0.440 357 N N 0.956 119.660 118.700 0.008 0.000 2.142 357 N HA -0.123 4.616 4.740 -0.000 0.000 0.186 357 N C 1.779 177.303 175.510 0.023 0.000 1.023 357 N CA 1.286 54.346 53.050 0.018 0.000 0.852 357 N CB -0.439 38.068 38.487 0.034 0.000 0.998 357 N HN 0.276 nan 8.380 nan 0.000 0.424 358 A N 0.596 123.437 122.820 0.034 0.000 1.883 358 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 358 A C 2.514 180.047 177.584 -0.085 0.000 1.186 358 A CA 2.143 54.186 52.037 0.010 0.000 0.624 358 A CB -1.076 17.927 19.000 0.006 0.000 0.822 358 A HN 0.321 nan 8.150 nan 0.000 0.444 359 S N -0.996 114.649 115.700 -0.091 0.000 2.359 359 S HA -0.233 4.237 4.470 -0.000 0.000 0.224 359 S C 2.059 176.608 174.600 -0.086 0.000 1.035 359 S CA 1.823 59.954 58.200 -0.114 0.000 1.018 359 S CB -0.346 62.803 63.200 -0.085 0.000 0.876 359 S HN 0.655 nan 8.310 nan 0.000 0.448 360 E N 0.230 120.399 120.200 -0.052 0.000 2.072 360 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 360 E C 1.887 178.468 176.600 -0.032 0.000 0.985 360 E CA 1.054 57.431 56.400 -0.038 0.000 0.801 360 E CB -0.123 29.563 29.700 -0.023 0.000 0.750 360 E HN 0.478 nan 8.360 nan 0.000 0.452 361 N N 0.207 118.897 118.700 -0.016 0.000 2.188 361 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 361 N C 1.954 177.462 175.510 -0.004 0.000 1.018 361 N CA 0.795 53.848 53.050 0.006 0.000 0.858 361 N CB -0.262 38.255 38.487 0.050 0.000 0.989 361 N HN 0.035 nan 8.380 nan 0.000 0.426 362 V N 1.565 121.451 119.914 -0.047 0.000 2.295 362 V HA -0.175 3.944 4.120 -0.000 0.000 0.246 362 V C 1.689 177.754 176.094 -0.049 0.000 1.049 362 V CA 1.080 63.337 62.300 -0.070 0.000 1.024 362 V CB -0.414 31.276 31.823 -0.223 0.000 0.648 362 V HN 0.339 nan 8.190 nan 0.000 0.447 366 A N 2.298 125.090 122.820 -0.047 0.000 1.908 366 A HA -0.129 4.190 4.320 -0.000 0.000 0.218 366 A C 2.168 179.619 177.584 -0.222 0.000 1.181 366 A CA 2.234 54.277 52.037 0.010 0.000 0.627 366 A CB -0.702 18.395 19.000 0.163 0.000 0.818 366 A HN 0.381 nan 8.150 nan 0.000 0.445 367 R N -0.127 120.246 120.500 -0.211 0.000 2.103 367 R HA -0.184 4.155 4.340 -0.000 0.000 0.242 367 R C 1.557 177.626 176.300 -0.385 0.000 1.142 367 R CA 1.977 57.897 56.100 -0.300 0.000 0.960 367 R CB -0.463 29.720 30.300 -0.196 0.000 0.858 367 R HN 0.580 nan 8.270 nan 0.000 0.439 368 N N 0.040 118.548 118.700 -0.321 0.000 2.300 368 N HA -0.089 4.651 4.740 -0.000 0.000 0.179 368 N C 1.839 177.100 175.510 -0.414 0.000 1.016 368 N CA 0.933 53.787 53.050 -0.326 0.000 0.876 368 N CB 0.001 38.328 38.487 -0.266 0.000 0.979 368 N HN 0.063 nan 8.380 nan 0.000 0.432 369 V N 1.770 121.399 119.914 -0.474 0.000 2.295 369 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 369 V C 2.486 178.294 176.094 -0.477 0.000 1.049 369 V CA 1.843 63.871 62.300 -0.453 0.000 1.024 369 V CB -0.850 30.820 31.823 -0.254 0.000 0.648 369 V HN 0.251 nan 8.190 nan 0.000 0.447 370 A N -0.024 122.274 122.820 -0.870 0.000 1.902 370 A HA -0.097 4.222 4.320 -0.000 0.000 0.217 370 A C 2.430 179.484 177.584 -0.883 0.000 1.181 370 A CA 2.011 53.331 52.037 -1.195 0.000 0.623 370 A CB -0.810 17.145 19.000 -1.742 0.000 0.818 370 A HN 0.567 nan 8.150 nan 0.000 0.443 371 A N -0.929 121.510 122.820 -0.635 0.000 1.940 371 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 371 A C 2.300 179.707 177.584 -0.296 0.000 1.176 371 A CA 2.378 54.154 52.037 -0.436 0.000 0.631 371 A CB -1.216 17.590 19.000 -0.322 0.000 0.814 371 A HN 0.441 nan 8.150 nan 0.000 0.446 372 T N 0.342 114.741 114.554 -0.258 0.000 2.812 372 T HA -0.031 4.319 4.350 -0.000 0.000 0.264 372 T C 1.827 176.492 174.700 -0.058 0.000 1.042 372 T CA 1.292 63.313 62.100 -0.132 0.000 1.140 372 T CB -0.376 68.425 68.868 -0.111 0.000 0.870 372 T HN 0.360 nan 8.240 nan 0.000 0.445 373 L N 0.857 122.043 121.223 -0.062 0.000 2.013 373 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 373 L C 2.741 179.705 176.870 0.157 0.000 1.073 373 L CA 1.574 56.478 54.840 0.106 0.000 0.753 373 L CB -0.501 41.718 42.059 0.267 0.000 0.890 373 L HN 0.208 nan 8.230 nan 0.000 0.432 374 K N 0.070 120.466 120.400 -0.007 0.000 2.063 374 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 374 K C 2.137 178.785 176.600 0.080 0.000 1.048 374 K CA 1.480 57.840 56.287 0.121 0.000 0.928 374 K CB -0.138 32.293 32.500 -0.114 0.000 0.713 374 K HN 0.304 nan 8.250 nan 0.000 0.442 375 A N 0.769 123.589 122.820 -0.000 0.000 1.908 375 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 375 A C 2.358 179.968 177.584 0.043 0.000 1.181 375 A CA 2.088 54.131 52.037 0.010 0.000 0.627 375 A CB -1.331 17.658 19.000 -0.019 0.000 0.818 375 A HN 0.568 nan 8.150 nan 0.000 0.445 376 G N -1.021 107.816 108.800 0.061 0.000 2.446 376 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 376 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 376 G C 1.569 176.521 174.900 0.085 0.000 1.168 376 G CA 1.045 46.190 45.100 0.076 0.000 0.771 376 G HN 0.636 nan 8.290 nan 0.000 0.551 377 Q N -0.116 119.754 119.800 0.117 0.000 2.133 377 Q HA -0.201 4.138 4.340 -0.000 0.000 0.208 377 Q C 2.678 178.724 176.000 0.076 0.000 0.991 377 Q CA 1.638 57.505 55.803 0.107 0.000 0.867 377 Q CB -0.150 28.677 28.738 0.149 0.000 0.911 377 Q HN 0.570 nan 8.270 nan 0.000 0.417 378 Q N -0.110 119.733 119.800 0.072 0.000 2.472 378 Q HA 0.051 4.391 4.340 -0.000 0.000 0.208 378 Q C 0.887 176.911 176.000 0.040 0.000 0.958 378 Q CA 0.480 56.314 55.803 0.051 0.000 0.932 378 Q CB 0.045 28.809 28.738 0.045 0.000 1.007 378 Q HN 0.389 nan 8.270 nan 0.000 0.508 379 L N 0.000 121.248 121.223 0.042 0.000 2.949 379 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 379 L CA 0.000 54.861 54.840 0.035 0.000 0.813 379 L CB 0.000 42.081 42.059 0.036 0.000 0.961 379 L HN 0.000 nan 8.230 nan 0.000 0.502