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 3fw9_1_A DATA FIRST_RESID 26 DATA SEQUENCE DLLScLTFNG VRNHTVFSAD SDSDFNRFLH LSIQNPLFQN SLISKPSAII DATA SEQUENCE LPGSKEELSN TIRcIRKGSW TIRLRSGGHS YEGLSYTSDT PFILIDLMNL DATA SEQUENCE NRVSIDLESE TAWVESGSTL GELYYAITES SSKLGFTAGW CPTVGTGGHI DATA SEQUENCE SGGGFGMMSR KYGLAADNVV DAILIDANGA ILDRQAMGED VFWAIRGGGG DATA SEQUENCE GVWGAIYAWK IKLLPVPEKV TVFRVTKNVA IDEATSLLHK WQFVAEELEE DATA SEQUENCE DFTLSVLGGA DEKQVWLTML GFHFGLKTVA KSTFDLLFPE LGLVEEDYLE DATA SEQUENCE MSWGESFAYL AGLETVSQLN NRFLKFDERA FKTKVDLTKE PLPSKAFYGL DATA SEQUENCE LERLSKEPNG FIALNGFGGQ MSKISSDFTP FPHRSGTRLM VEYIVAWNQS DATA SEQUENCE EQKKKTEFLD WLEKVYEFMK PFVSKNPRLG YVNHIDLDLG GIDWGNKTVV DATA SEQUENCE NNAIEISRSW GESYFLSNYE RLIRAKTLID PNNVFNHPQS IPPMA 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 26 D HA 0.000 nan 4.640 nan 0.000 0.175 26 D C 0.000 176.325 176.300 0.042 0.000 2.045 26 D CA 0.000 54.028 54.000 0.047 0.000 0.868 26 D CB 0.000 40.817 40.800 0.028 0.000 0.688 27 L N 2.968 124.232 121.223 0.068 0.000 2.042 27 L HA 0.052 4.381 4.340 -0.019 0.000 0.210 27 L C 1.705 178.523 176.870 -0.087 0.000 1.076 27 L CA 1.781 56.627 54.840 0.010 0.000 0.749 27 L CB -0.663 41.367 42.059 -0.048 0.000 0.893 27 L HN 0.683 nan 8.230 nan 0.000 0.432 28 L N -0.607 120.537 121.223 -0.133 0.000 2.042 28 L HA -0.212 4.117 4.340 -0.019 0.000 0.210 28 L C 2.715 179.526 176.870 -0.097 0.000 1.076 28 L CA 1.560 56.259 54.840 -0.234 0.000 0.749 28 L CB -1.116 40.830 42.059 -0.189 0.000 0.893 28 L HN 0.536 nan 8.230 nan 0.000 0.432 29 S N -1.131 114.554 115.700 -0.024 0.000 2.382 29 S HA -0.244 4.214 4.470 -0.019 0.000 0.228 29 S C 2.187 176.822 174.600 0.058 0.000 1.027 29 S CA 1.122 59.338 58.200 0.026 0.000 0.991 29 S CB -1.075 62.135 63.200 0.016 0.000 0.823 29 S HN 0.526 nan 8.310 nan 0.000 0.469 30 c N 1.369 119.988 118.600 0.031 0.000 2.453 30 c HA 0.188 4.746 4.570 -0.019 0.000 0.277 30 c C 2.649 176.802 174.090 0.105 0.000 1.262 30 c CA 0.632 57.002 56.329 0.068 0.000 1.718 30 c CB -1.712 40.819 42.510 0.036 0.000 2.031 30 c HN 0.693 nan 8.230 nan 0.000 0.480 31 L N 0.371 121.610 121.223 0.026 0.000 2.042 31 L HA -0.150 4.179 4.340 -0.019 0.000 0.210 31 L C 2.771 179.692 176.870 0.085 0.000 1.076 31 L CA 2.165 57.019 54.840 0.024 0.000 0.749 31 L CB -0.966 41.040 42.059 -0.089 0.000 0.893 31 L HN 0.387 nan 8.230 nan 0.000 0.432 32 T N -0.609 114.006 114.554 0.101 0.000 2.812 32 T HA -0.186 4.152 4.350 -0.019 0.000 0.264 32 T C 1.582 176.355 174.700 0.121 0.000 1.042 32 T CA 1.086 63.262 62.100 0.126 0.000 1.140 32 T CB -0.323 68.624 68.868 0.131 0.000 0.870 32 T HN 0.243 nan 8.240 nan 0.000 0.445 33 F N 2.576 122.536 119.950 0.015 0.000 2.250 33 F HA -0.081 4.435 4.527 -0.019 0.000 0.301 33 F C 1.234 177.038 175.800 0.007 0.000 1.077 33 F CA 0.978 58.984 58.000 0.010 0.000 1.348 33 F CB -0.276 38.727 39.000 0.006 0.000 1.040 33 F HN 0.093 nan 8.300 nan 0.000 0.509 34 N N -0.256 118.470 118.700 0.044 0.000 2.203 34 N HA 0.238 4.966 4.740 -0.019 0.000 0.207 34 N C 0.760 176.242 175.510 -0.048 0.000 1.130 34 N CA 0.688 53.715 53.050 -0.037 0.000 0.861 34 N CB 0.741 39.270 38.487 0.071 0.000 1.005 34 N HN 0.252 nan 8.380 nan 0.000 0.507 35 G N -0.102 108.677 108.800 -0.035 0.000 2.160 35 G HA2 -0.237 3.712 3.960 -0.019 0.000 0.244 35 G HA3 -0.237 3.712 3.960 -0.019 0.000 0.244 35 G C -0.431 174.472 174.900 0.004 0.000 1.022 35 G CA 0.027 45.110 45.100 -0.028 0.000 0.741 35 G HN 0.161 nan 8.290 nan 0.000 0.508 36 V N 0.331 120.272 119.914 0.045 0.000 2.311 36 V HA 0.450 4.558 4.120 -0.019 0.000 0.275 36 V C 1.226 177.410 176.094 0.151 0.000 1.022 36 V CA -0.330 62.014 62.300 0.073 0.000 0.830 36 V CB 1.115 32.986 31.823 0.079 0.000 1.012 36 V HN 0.438 nan 8.190 nan 0.000 0.452 37 R N 2.148 122.676 120.500 0.047 0.000 2.279 37 R HA 0.182 4.511 4.340 -0.019 0.000 0.195 37 R C 0.791 176.888 176.300 -0.339 0.000 0.905 37 R CA -0.206 55.847 56.100 -0.077 0.000 1.044 37 R CB 0.285 30.544 30.300 -0.070 0.000 1.056 37 R HN 0.504 nan 8.270 nan 0.000 0.535 38 N N 2.175 120.772 118.700 -0.172 0.000 2.663 38 N HA 0.003 4.732 4.740 -0.019 0.000 0.250 38 N C -1.447 173.972 175.510 -0.151 0.000 1.129 38 N CA 0.076 53.003 53.050 -0.206 0.000 0.995 38 N CB 0.003 38.407 38.487 -0.138 0.000 1.324 38 N HN 0.298 nan 8.380 nan 0.000 0.512 39 H N -1.436 117.609 119.070 -0.043 0.000 3.012 39 H HA 0.605 5.150 4.556 -0.019 0.000 0.367 39 H C -1.157 174.189 175.328 0.030 0.000 1.211 39 H CA -0.838 55.192 56.048 -0.030 0.000 1.139 39 H CB 1.036 30.782 29.762 -0.028 0.000 1.838 39 H HN -0.061 nan 8.280 nan 0.000 0.550 40 T N 2.117 116.814 114.554 0.239 0.000 3.011 40 T HA 0.436 4.775 4.350 -0.019 0.000 0.303 40 T C -0.192 174.673 174.700 0.274 0.000 0.997 40 T CA -0.704 61.562 62.100 0.276 0.000 1.007 40 T CB 1.187 70.286 68.868 0.386 0.000 1.017 40 T HN 0.802 nan 8.240 nan 0.000 0.443 41 V N 1.697 121.701 119.914 0.150 0.000 2.953 41 V HA 0.677 4.786 4.120 -0.019 0.000 0.304 41 V C 0.443 176.382 176.094 -0.259 0.000 1.073 41 V CA -1.077 61.230 62.300 0.010 0.000 1.064 41 V CB 0.215 32.034 31.823 -0.005 0.000 1.047 41 V HN 0.772 nan 8.190 nan 0.000 0.478 42 F N 2.830 122.347 119.950 -0.722 0.000 2.635 42 F HA 0.364 4.880 4.527 -0.019 0.000 0.379 42 F C 0.684 176.000 175.800 -0.806 0.000 1.094 42 F CA 1.466 58.585 58.000 -1.469 0.000 1.300 42 F CB 0.413 38.933 39.000 -0.799 0.000 1.035 42 F HN 0.904 nan 8.300 nan 0.000 0.581 43 S N 4.116 118.820 115.700 -1.661 0.000 2.547 43 S HA 0.676 5.134 4.470 -0.019 0.000 0.281 43 S C 0.286 174.288 174.600 -0.997 0.000 1.118 43 S CA -0.288 57.394 58.200 -0.864 0.000 0.947 43 S CB 1.525 64.513 63.200 -0.354 0.000 1.053 43 S HN 1.024 nan 8.310 nan 0.000 0.482 44 A N 2.598 125.137 122.820 -0.468 0.000 2.119 44 A HA 0.163 4.472 4.320 -0.019 0.000 0.216 44 A C 0.738 178.255 177.584 -0.110 0.000 1.152 44 A CA 0.505 52.427 52.037 -0.190 0.000 0.708 44 A CB -0.558 18.468 19.000 0.044 0.000 0.805 44 A HN 0.825 nan 8.150 nan 0.000 0.460 45 D N 0.590 120.920 120.400 -0.118 0.000 2.502 45 D HA 0.058 4.687 4.640 -0.019 0.000 0.249 45 D C 1.581 177.850 176.300 -0.051 0.000 1.188 45 D CA 0.807 54.768 54.000 -0.065 0.000 0.890 45 D CB 0.668 41.431 40.800 -0.062 0.000 1.140 45 D HN 0.311 nan 8.370 nan 0.000 0.505 46 S N 3.053 118.736 115.700 -0.029 0.000 2.374 46 S HA -0.265 4.193 4.470 -0.019 0.000 0.227 46 S C 0.889 175.466 174.600 -0.037 0.000 1.037 46 S CA 1.330 59.518 58.200 -0.020 0.000 1.024 46 S CB -0.169 63.020 63.200 -0.018 0.000 0.861 46 S HN 0.630 nan 8.310 nan 0.000 0.456 47 D N 1.876 122.246 120.400 -0.050 0.000 2.643 47 D HA 0.250 4.878 4.640 -0.019 0.000 0.244 47 D C 0.375 176.631 176.300 -0.074 0.000 1.257 47 D CA -0.143 53.814 54.000 -0.070 0.000 0.831 47 D CB -0.345 40.410 40.800 -0.075 0.000 1.043 47 D HN 0.475 nan 8.370 nan 0.000 0.488 48 S N -0.513 115.155 115.700 -0.054 0.000 2.580 48 S HA -0.002 4.456 4.470 -0.019 0.000 0.266 48 S C 0.858 175.407 174.600 -0.085 0.000 1.354 48 S CA -0.365 57.806 58.200 -0.048 0.000 1.008 48 S CB 1.319 64.508 63.200 -0.018 0.000 0.898 48 S HN -0.034 nan 8.310 nan 0.000 0.555 49 D N 0.543 120.878 120.400 -0.107 0.000 2.149 49 D HA -0.114 4.515 4.640 -0.019 0.000 0.198 49 D C 1.402 177.566 176.300 -0.227 0.000 0.990 49 D CA 1.212 55.049 54.000 -0.271 0.000 0.839 49 D CB -0.463 40.225 40.800 -0.186 0.000 0.948 49 D HN 0.648 nan 8.370 nan 0.000 0.460 50 F N 2.264 122.156 119.950 -0.097 0.000 2.065 50 F HA -0.252 4.264 4.527 -0.018 0.000 0.298 50 F C 1.912 177.706 175.800 -0.010 0.000 1.112 50 F CA 1.470 59.476 58.000 0.011 0.000 1.212 50 F CB -0.266 38.697 39.000 -0.062 0.000 0.975 50 F HN -0.148 nan 8.300 nan 0.000 0.476 51 N N 0.453 119.135 118.700 -0.031 0.000 2.188 51 N HA -0.177 4.552 4.740 -0.019 0.000 0.184 51 N C 2.059 177.543 175.510 -0.043 0.000 1.018 51 N CA 1.198 54.223 53.050 -0.041 0.000 0.858 51 N CB -0.513 38.036 38.487 0.102 0.000 0.989 51 N HN 0.397 nan 8.380 nan 0.000 0.426 52 R N -0.071 120.320 120.500 -0.182 0.000 2.073 52 R HA -0.085 4.244 4.340 -0.019 0.000 0.234 52 R C 1.777 177.939 176.300 -0.230 0.000 1.134 52 R CA 1.336 57.280 56.100 -0.259 0.000 0.952 52 R CB -0.230 29.809 30.300 -0.435 0.000 0.850 52 R HN 0.041 nan 8.270 nan 0.000 0.433 53 F N 0.661 120.520 119.950 -0.150 0.000 2.134 53 F HA -0.146 4.370 4.527 -0.020 0.000 0.299 53 F C 2.100 177.764 175.800 -0.225 0.000 1.097 53 F CA 0.722 58.622 58.000 -0.167 0.000 1.264 53 F CB -0.952 37.962 39.000 -0.144 0.000 1.001 53 F HN 0.103 nan 8.300 nan 0.000 0.479 54 L N -0.178 120.929 121.223 -0.193 0.000 1.989 54 L HA -0.245 4.084 4.340 -0.019 0.000 0.211 54 L C 2.459 179.125 176.870 -0.341 0.000 1.071 54 L CA 2.139 56.765 54.840 -0.357 0.000 0.749 54 L CB -1.068 40.628 42.059 -0.606 0.000 0.890 54 L HN 0.217 nan 8.230 nan 0.000 0.431 55 H N -1.458 117.509 119.070 -0.173 0.000 2.535 55 H HA -0.003 4.542 4.556 -0.019 0.000 0.273 55 H C 2.109 177.354 175.328 -0.138 0.000 0.983 55 H CA 0.946 56.900 56.048 -0.156 0.000 1.238 55 H CB 0.243 29.931 29.762 -0.124 0.000 1.412 55 H HN 0.281 nan 8.280 nan 0.000 0.562 56 L N 0.714 121.918 121.223 -0.032 0.000 2.043 56 L HA -0.131 4.197 4.340 -0.019 0.000 0.212 56 L C 1.305 178.202 176.870 0.045 0.000 1.075 56 L CA 1.669 56.465 54.840 -0.072 0.000 0.752 56 L CB -0.102 41.899 42.059 -0.097 0.000 0.891 56 L HN -0.064 nan 8.230 nan 0.000 0.432 57 S N -0.997 114.719 115.700 0.027 0.000 2.651 57 S HA 0.387 4.845 4.470 -0.019 0.000 0.246 57 S C 0.331 174.849 174.600 -0.137 0.000 1.039 57 S CA -0.463 57.765 58.200 0.047 0.000 1.013 57 S CB -0.050 63.215 63.200 0.108 0.000 0.861 57 S HN 0.143 nan 8.310 nan 0.000 0.485 58 I N 2.621 123.049 120.570 -0.236 0.000 2.322 58 I HA 0.165 4.323 4.170 -0.019 0.000 0.292 58 I C 0.927 176.979 176.117 -0.107 0.000 1.060 58 I CA -0.121 60.952 61.300 -0.378 0.000 1.309 58 I CB 0.942 38.686 38.000 -0.426 0.000 1.415 58 I HN 0.116 nan 8.210 nan 0.000 0.492 59 Q N 3.639 123.402 119.800 -0.062 0.000 2.319 59 Q HA 0.146 4.475 4.340 -0.019 0.000 0.202 59 Q C -0.096 175.982 176.000 0.131 0.000 0.896 59 Q CA 0.192 55.949 55.803 -0.077 0.000 0.942 59 Q CB 0.212 28.625 28.738 -0.542 0.000 1.083 59 Q HN 0.501 nan 8.270 nan 0.000 0.510 60 N N 0.887 119.706 118.700 0.199 0.000 2.573 60 N HA 0.214 4.942 4.740 -0.019 0.000 0.262 60 N C -2.320 173.255 175.510 0.109 0.000 1.029 60 N CA -2.006 51.147 53.050 0.173 0.000 0.882 60 N CB 1.733 40.245 38.487 0.040 0.000 1.204 60 N HN -0.254 nan 8.380 nan 0.000 0.519 61 P HA -0.130 nan 4.420 nan 0.000 0.222 61 P C 1.507 178.760 177.300 -0.078 0.000 1.142 61 P CA 0.411 63.505 63.100 -0.009 0.000 0.788 61 P CB 0.383 32.049 31.700 -0.057 0.000 0.767 62 L N -1.650 119.417 121.223 -0.259 0.000 2.189 62 L HA -0.096 4.233 4.340 -0.019 0.000 0.214 62 L C 1.041 177.591 176.870 -0.534 0.000 1.097 62 L CA 1.833 56.392 54.840 -0.467 0.000 0.764 62 L CB -1.036 40.541 42.059 -0.804 0.000 0.900 62 L HN -0.104 nan 8.230 nan 0.000 0.436 63 F N -1.645 118.355 119.950 0.084 0.000 2.850 63 F HA 0.313 4.828 4.527 -0.019 0.000 0.306 63 F C 1.815 177.742 175.800 0.212 0.000 1.162 63 F CA -0.113 57.983 58.000 0.161 0.000 1.327 63 F CB -0.188 38.934 39.000 0.202 0.000 0.953 63 F HN 0.094 nan 8.300 nan 0.000 0.507 64 Q N 0.496 120.447 119.800 0.251 0.000 2.350 64 Q HA 0.064 4.392 4.340 -0.019 0.000 0.225 64 Q C 0.722 176.889 176.000 0.278 0.000 0.878 64 Q CA -0.079 55.885 55.803 0.268 0.000 0.935 64 Q CB 0.372 29.245 28.738 0.225 0.000 1.099 64 Q HN 0.549 nan 8.270 nan 0.000 0.527 65 N N -0.982 117.836 118.700 0.198 0.000 2.326 65 N HA -0.071 4.657 4.740 -0.019 0.000 0.239 65 N C 0.700 176.324 175.510 0.190 0.000 1.301 65 N CA 0.630 53.780 53.050 0.167 0.000 0.909 65 N CB 0.628 39.188 38.487 0.123 0.000 1.156 65 N HN -0.012 nan 8.380 nan 0.000 0.462 66 S N -0.299 115.496 115.700 0.159 0.000 2.474 66 S HA -0.046 4.413 4.470 -0.019 0.000 0.235 66 S C 1.363 176.062 174.600 0.164 0.000 0.997 66 S CA 0.342 58.643 58.200 0.168 0.000 0.949 66 S CB -0.586 62.693 63.200 0.133 0.000 0.766 66 S HN 0.571 nan 8.310 nan 0.000 0.517 67 L N 0.934 122.244 121.223 0.146 0.000 2.591 67 L HA 0.284 4.612 4.340 -0.019 0.000 0.228 67 L C 0.255 177.217 176.870 0.154 0.000 1.133 67 L CA -0.100 54.819 54.840 0.133 0.000 0.880 67 L CB -0.164 41.959 42.059 0.106 0.000 1.033 67 L HN 0.292 nan 8.230 nan 0.000 0.450 68 I N 0.252 120.936 120.570 0.190 0.000 2.581 68 I HA 0.035 4.194 4.170 -0.019 0.000 0.288 68 I C 1.032 177.292 176.117 0.239 0.000 1.047 68 I CA -0.018 61.414 61.300 0.219 0.000 1.374 68 I CB 1.335 39.497 38.000 0.271 0.000 1.423 68 I HN 0.127 nan 8.210 nan 0.000 0.549 69 S N 6.480 122.321 115.700 0.236 0.000 2.558 69 S HA 0.135 4.594 4.470 -0.019 0.000 0.291 69 S C -0.175 174.690 174.600 0.443 0.000 1.306 69 S CA -0.380 58.005 58.200 0.308 0.000 1.056 69 S CB 0.560 63.932 63.200 0.287 0.000 0.836 69 S HN 0.466 nan 8.310 nan 0.000 0.504 70 K N 2.061 122.720 120.400 0.432 0.000 2.375 70 K HA 0.553 4.862 4.320 -0.019 0.000 0.249 70 K C -3.052 173.575 176.600 0.045 0.000 0.942 70 K CA -2.482 54.052 56.287 0.411 0.000 0.806 70 K CB 1.251 34.062 32.500 0.519 0.000 1.227 70 K HN 0.368 nan 8.250 nan 0.000 0.430 71 P HA 0.140 nan 4.420 nan 0.000 0.269 71 P C 0.251 177.449 177.300 -0.170 0.000 1.215 71 P CA -0.048 62.560 63.100 -0.820 0.000 0.780 71 P CB 0.567 32.056 31.700 -0.352 0.000 0.898 72 S N 0.120 115.634 115.700 -0.309 0.000 2.461 72 S HA 0.247 4.706 4.470 -0.019 0.000 0.228 72 S C 0.781 175.299 174.600 -0.135 0.000 1.005 72 S CA 0.907 59.005 58.200 -0.170 0.000 0.942 72 S CB -0.141 62.984 63.200 -0.125 0.000 0.776 72 S HN 0.772 nan 8.310 nan 0.000 0.514 73 A N 0.400 123.146 122.820 -0.123 0.000 2.608 73 A HA 0.731 5.040 4.320 -0.019 0.000 0.292 73 A C -1.685 175.941 177.584 0.069 0.000 1.066 73 A CA -0.732 51.312 52.037 0.011 0.000 0.676 73 A CB 0.876 19.779 19.000 -0.162 0.000 1.277 73 A HN 0.194 nan 8.150 nan 0.000 0.413 74 I N 2.014 122.677 120.570 0.154 0.000 2.436 74 I HA 0.420 4.579 4.170 -0.019 0.000 0.289 74 I C -1.029 175.104 176.117 0.027 0.000 1.010 74 I CA -0.644 60.695 61.300 0.065 0.000 1.098 74 I CB 1.660 39.687 38.000 0.045 0.000 1.266 74 I HN 0.376 nan 8.210 nan 0.000 0.434 75 I N 7.025 127.591 120.570 -0.006 0.000 2.404 75 I HA 0.358 4.516 4.170 -0.019 0.000 0.293 75 I C -0.468 175.626 176.117 -0.039 0.000 0.992 75 I CA -0.913 60.388 61.300 0.000 0.000 1.149 75 I CB 1.609 39.612 38.000 0.005 0.000 1.315 75 I HN 0.368 nan 8.210 nan 0.000 0.446 76 L N 8.088 129.267 121.223 -0.072 0.000 2.435 76 L HA 0.405 4.734 4.340 -0.019 0.000 0.253 76 L C -2.126 174.718 176.870 -0.044 0.000 1.087 76 L CA -1.370 53.416 54.840 -0.090 0.000 0.950 76 L CB 0.682 42.623 42.059 -0.197 0.000 1.304 76 L HN 0.324 nan 8.230 nan 0.000 0.453 77 P HA 0.128 nan 4.420 nan 0.000 0.268 77 P C 0.725 178.030 177.300 0.009 0.000 1.204 77 P CA -0.005 63.098 63.100 0.006 0.000 0.768 77 P CB 1.248 32.962 31.700 0.023 0.000 0.842 78 G N 0.819 109.620 108.800 0.001 0.000 3.159 78 G HA2 0.254 4.203 3.960 -0.019 0.000 0.232 78 G HA3 0.254 4.203 3.960 -0.019 0.000 0.232 78 G C 0.119 175.030 174.900 0.018 0.000 1.116 78 G CA 0.121 45.226 45.100 0.009 0.000 0.767 78 G HN 0.722 nan 8.290 nan 0.000 0.547 79 S N -1.118 114.581 115.700 -0.002 0.000 2.615 79 S HA 0.342 4.801 4.470 -0.019 0.000 0.269 79 S C 0.840 175.341 174.600 -0.166 0.000 1.161 79 S CA -0.177 57.992 58.200 -0.053 0.000 0.817 79 S CB 1.444 64.594 63.200 -0.083 0.000 1.131 79 S HN 0.180 nan 8.310 nan 0.000 0.467 80 K N 0.385 120.503 120.400 -0.470 0.000 2.147 80 K HA -0.047 4.261 4.320 -0.019 0.000 0.205 80 K C 1.131 177.538 176.600 -0.321 0.000 1.049 80 K CA 1.744 57.619 56.287 -0.687 0.000 0.936 80 K CB -0.405 31.315 32.500 -1.299 0.000 0.722 80 K HN 0.529 nan 8.250 nan 0.000 0.446 81 E N 1.524 121.580 120.200 -0.239 0.000 2.072 81 E HA -0.127 4.212 4.350 -0.019 0.000 0.191 81 E C 1.877 178.424 176.600 -0.088 0.000 0.985 81 E CA 1.486 57.801 56.400 -0.142 0.000 0.801 81 E CB -0.014 29.615 29.700 -0.118 0.000 0.750 81 E HN 0.443 nan 8.360 nan 0.000 0.452 82 E N -0.054 120.100 120.200 -0.077 0.000 2.106 82 E HA -0.168 4.171 4.350 -0.019 0.000 0.192 82 E C 1.934 178.524 176.600 -0.017 0.000 0.984 82 E CA 0.563 56.942 56.400 -0.035 0.000 0.806 82 E CB -0.072 29.614 29.700 -0.023 0.000 0.750 82 E HN 0.105 nan 8.360 nan 0.000 0.458 83 L N 0.862 122.068 121.223 -0.029 0.000 2.046 83 L HA -0.161 4.168 4.340 -0.019 0.000 0.208 83 L C 2.393 179.273 176.870 0.016 0.000 1.077 83 L CA 1.900 56.745 54.840 0.008 0.000 0.747 83 L CB -0.836 41.236 42.059 0.021 0.000 0.896 83 L HN -0.026 nan 8.230 nan 0.000 0.432 84 S N -0.356 115.333 115.700 -0.017 0.000 2.359 84 S HA -0.204 4.254 4.470 -0.019 0.000 0.224 84 S C 1.871 176.484 174.600 0.021 0.000 1.035 84 S CA 1.679 59.880 58.200 0.001 0.000 1.018 84 S CB -0.422 62.759 63.200 -0.031 0.000 0.876 84 S HN 0.648 nan 8.310 nan 0.000 0.448 85 N N 0.567 119.273 118.700 0.009 0.000 2.270 85 N HA -0.018 4.710 4.740 -0.019 0.000 0.181 85 N C 1.741 177.271 175.510 0.033 0.000 1.016 85 N CA 1.474 54.539 53.050 0.025 0.000 0.870 85 N CB -1.019 37.479 38.487 0.018 0.000 0.979 85 N HN 0.451 nan 8.380 nan 0.000 0.431 86 T N 1.852 116.423 114.554 0.028 0.000 2.708 86 T HA 0.009 4.347 4.350 -0.019 0.000 0.266 86 T C 2.120 176.840 174.700 0.033 0.000 1.037 86 T CA 0.699 62.814 62.100 0.026 0.000 1.146 86 T CB -0.122 68.762 68.868 0.027 0.000 0.865 86 T HN 0.162 nan 8.240 nan 0.000 0.435 87 I N 0.657 121.261 120.570 0.057 0.000 2.179 87 I HA -0.194 3.965 4.170 -0.019 0.000 0.242 87 I C 2.776 178.924 176.117 0.052 0.000 1.088 87 I CA 1.375 62.718 61.300 0.072 0.000 1.357 87 I CB -0.347 37.735 38.000 0.136 0.000 1.051 87 I HN 0.132 nan 8.210 nan 0.000 0.409 88 R N -0.164 120.368 120.500 0.053 0.000 2.091 88 R HA -0.188 4.141 4.340 -0.019 0.000 0.238 88 R C 2.416 178.744 176.300 0.047 0.000 1.136 88 R CA 1.794 57.922 56.100 0.048 0.000 0.959 88 R CB -0.717 29.613 30.300 0.049 0.000 0.856 88 R HN 0.438 nan 8.270 nan 0.000 0.437 89 c N 0.359 118.987 118.600 0.046 0.000 2.453 89 c HA -0.007 4.552 4.570 -0.019 0.000 0.277 89 c C 2.553 176.683 174.090 0.066 0.000 1.262 89 c CA 0.304 56.662 56.329 0.047 0.000 1.718 89 c CB -0.657 41.872 42.510 0.031 0.000 2.031 89 c HN 0.436 nan 8.230 nan 0.000 0.480 90 I N 0.624 121.226 120.570 0.055 0.000 2.264 90 I HA -0.239 3.920 4.170 -0.019 0.000 0.248 90 I C 2.703 178.924 176.117 0.173 0.000 1.111 90 I CA 1.474 62.839 61.300 0.108 0.000 1.382 90 I CB -0.493 37.531 38.000 0.039 0.000 1.060 90 I HN 0.369 nan 8.210 nan 0.000 0.418 91 R N 0.835 121.384 120.500 0.081 0.000 2.148 91 R HA -0.115 4.214 4.340 -0.019 0.000 0.227 91 R C 2.016 178.345 176.300 0.049 0.000 1.103 91 R CA 0.846 56.974 56.100 0.048 0.000 0.983 91 R CB -0.237 30.070 30.300 0.012 0.000 0.874 91 R HN 0.383 nan 8.270 nan 0.000 0.451 92 K N 0.197 120.633 120.400 0.061 0.000 2.442 92 K HA -0.030 4.279 4.320 -0.019 0.000 0.198 92 K C 1.153 177.780 176.600 0.044 0.000 1.042 92 K CA 0.726 57.037 56.287 0.041 0.000 0.958 92 K CB 0.168 32.690 32.500 0.036 0.000 0.766 92 K HN 0.166 nan 8.250 nan 0.000 0.474 93 G N 0.160 109.019 108.800 0.098 0.000 2.938 93 G HA2 0.223 4.171 3.960 -0.019 0.000 0.258 93 G HA3 0.223 4.171 3.960 -0.019 0.000 0.258 93 G C -0.851 173.980 174.900 -0.115 0.000 1.356 93 G CA -0.640 44.474 45.100 0.024 0.000 1.052 93 G HN 0.101 nan 8.290 nan 0.000 0.550 94 S N -0.896 114.551 115.700 -0.422 0.000 2.328 94 S HA 0.510 4.968 4.470 -0.019 0.000 0.204 94 S C -1.330 172.934 174.600 -0.559 0.000 1.475 94 S CA -0.768 57.205 58.200 -0.379 0.000 1.148 94 S CB -0.224 62.777 63.200 -0.332 0.000 1.077 94 S HN 0.468 nan 8.310 nan 0.000 0.479 95 W N 0.739 122.032 121.300 -0.012 0.000 2.864 95 W HA 0.522 5.171 4.660 -0.018 0.000 0.343 95 W C -0.275 176.249 176.519 0.009 0.000 1.109 95 W CA -0.908 56.444 57.345 0.011 0.000 1.192 95 W CB 1.759 31.223 29.460 0.008 0.000 1.426 95 W HN 0.198 nan 8.180 nan 0.000 0.529 96 T N 3.228 117.986 114.554 0.340 0.000 2.806 96 T HA 0.430 4.768 4.350 -0.019 0.000 0.290 96 T C -0.048 174.784 174.700 0.221 0.000 0.966 96 T CA -0.421 61.802 62.100 0.204 0.000 1.060 96 T CB 0.356 69.337 68.868 0.187 0.000 0.927 96 T HN 0.105 nan 8.240 nan 0.000 0.485 97 I N 3.897 124.515 120.570 0.080 0.000 2.441 97 I HA 0.304 4.463 4.170 -0.019 0.000 0.287 97 I C 0.625 176.824 176.117 0.137 0.000 1.049 97 I CA -0.375 60.973 61.300 0.081 0.000 1.381 97 I CB 0.504 38.469 38.000 -0.059 0.000 1.409 97 I HN 0.228 nan 8.210 nan 0.000 0.523 98 R N 7.183 127.803 120.500 0.200 0.000 2.476 98 R HA 0.556 4.885 4.340 -0.019 0.000 0.305 98 R C -1.161 175.248 176.300 0.182 0.000 0.965 98 R CA -0.824 55.388 56.100 0.185 0.000 0.867 98 R CB 1.747 32.186 30.300 0.232 0.000 1.176 98 R HN 0.552 nan 8.270 nan 0.000 0.447 99 L N 2.932 124.254 121.223 0.165 0.000 2.289 99 L HA 0.575 4.903 4.340 -0.019 0.000 0.285 99 L C 0.478 177.426 176.870 0.131 0.000 1.049 99 L CA -0.597 54.334 54.840 0.151 0.000 0.804 99 L CB 1.322 43.475 42.059 0.157 0.000 1.195 99 L HN 0.293 nan 8.230 nan 0.000 0.428 100 R N 1.491 122.069 120.500 0.129 0.000 2.532 100 R HA 0.485 4.813 4.340 -0.019 0.000 0.297 100 R C -0.528 175.838 176.300 0.111 0.000 0.984 100 R CA -0.170 56.011 56.100 0.133 0.000 0.884 100 R CB 2.056 32.454 30.300 0.163 0.000 1.182 100 R HN 0.746 nan 8.270 nan 0.000 0.442 101 S N 1.571 117.338 115.700 0.112 0.000 2.860 101 S HA 0.165 4.623 4.470 -0.019 0.000 0.181 101 S C 1.260 175.916 174.600 0.093 0.000 0.763 101 S CA 0.421 58.678 58.200 0.096 0.000 0.829 101 S CB 0.213 63.477 63.200 0.107 0.000 0.793 101 S HN 0.792 nan 8.310 nan 0.000 0.614 102 G N -0.391 108.479 108.800 0.116 0.000 2.838 102 G HA2 0.402 4.351 3.960 -0.019 0.000 0.210 102 G HA3 0.402 4.351 3.960 -0.019 0.000 0.210 102 G C 0.911 175.923 174.900 0.187 0.000 1.153 102 G CA 0.464 45.652 45.100 0.146 0.000 0.778 102 G HN 1.020 nan 8.290 nan 0.000 0.539 103 G N -0.127 108.779 108.800 0.177 0.000 2.153 103 G HA2 -0.285 3.664 3.960 -0.019 0.000 0.252 103 G HA3 -0.285 3.664 3.960 -0.019 0.000 0.252 103 G C 0.778 175.786 174.900 0.179 0.000 0.994 103 G CA 0.525 45.735 45.100 0.183 0.000 0.698 103 G HN 0.565 nan 8.290 nan 0.000 0.521 104 H N 0.020 119.185 119.070 0.158 0.000 2.539 104 H HA 0.200 4.744 4.556 -0.019 0.000 0.267 104 H C 1.822 177.244 175.328 0.156 0.000 0.982 104 H CA 0.827 56.990 56.048 0.191 0.000 1.146 104 H CB 0.320 30.161 29.762 0.132 0.000 1.382 104 H HN 0.471 nan 8.280 nan 0.000 0.577 105 S N 1.018 116.799 115.700 0.134 0.000 2.784 105 S HA -0.162 4.296 4.470 -0.019 0.000 0.322 105 S C 1.072 175.721 174.600 0.082 0.000 1.234 105 S CA -0.323 57.856 58.200 -0.034 0.000 1.064 105 S CB 0.061 63.163 63.200 -0.163 0.000 0.787 105 S HN 0.220 nan 8.310 nan 0.000 0.506 106 Y N 2.814 123.120 120.300 0.010 0.000 2.403 106 Y HA 0.023 4.561 4.550 -0.019 0.000 0.291 106 Y C 2.105 177.981 175.900 -0.040 0.000 1.143 106 Y CA 0.728 58.842 58.100 0.023 0.000 1.257 106 Y CB -0.081 38.406 38.460 0.045 0.000 0.984 106 Y HN 0.683 nan 8.280 nan 0.000 0.550 107 E N -1.239 118.919 120.200 -0.070 0.000 2.548 107 E HA 0.220 4.558 4.350 -0.019 0.000 0.206 107 E C 1.354 177.290 176.600 -1.107 0.000 1.005 107 E CA 0.463 56.650 56.400 -0.355 0.000 0.951 107 E CB 0.286 29.865 29.700 -0.202 0.000 1.035 107 E HN 0.370 nan 8.360 nan 0.000 0.470 108 G N 1.996 110.187 108.800 -1.015 0.000 2.225 108 G HA2 -0.302 3.647 3.960 -0.019 0.000 0.267 108 G HA3 -0.302 3.647 3.960 -0.019 0.000 0.267 108 G C 0.904 175.082 174.900 -1.203 0.000 1.024 108 G CA 0.513 44.788 45.100 -1.374 0.000 0.784 108 G HN 0.370 nan 8.290 nan 0.000 0.507 109 L N 0.706 121.491 121.223 -0.729 0.000 2.552 109 L HA 0.031 4.360 4.340 -0.019 0.000 0.227 109 L C 2.626 179.247 176.870 -0.417 0.000 1.146 109 L CA 1.358 55.869 54.840 -0.548 0.000 0.858 109 L CB -0.195 41.570 42.059 -0.490 0.000 0.969 109 L HN 0.511 nan 8.230 nan 0.000 0.451 110 S N -0.913 114.565 115.700 -0.370 0.000 2.558 110 S HA -0.071 4.388 4.470 -0.019 0.000 0.217 110 S C 0.965 175.589 174.600 0.040 0.000 0.975 110 S CA -0.027 58.120 58.200 -0.088 0.000 0.912 110 S CB -0.132 63.118 63.200 0.084 0.000 0.776 110 S HN 0.629 nan 8.310 nan 0.000 0.526 111 Y N 0.245 120.503 120.300 -0.071 0.000 2.888 111 Y HA 0.484 5.022 4.550 -0.019 0.000 0.260 111 Y C -0.021 175.874 175.900 -0.008 0.000 1.113 111 Y CA -0.621 57.511 58.100 0.054 0.000 1.237 111 Y CB -0.422 38.074 38.460 0.059 0.000 1.307 111 Y HN 0.234 nan 8.280 nan 0.000 0.580 112 T N -1.726 112.529 114.554 -0.497 0.000 2.896 112 T HA 0.780 5.119 4.350 -0.019 0.000 0.297 112 T C -0.699 173.484 174.700 -0.862 0.000 1.108 112 T CA -0.655 61.105 62.100 -0.566 0.000 1.004 112 T CB 2.131 70.767 68.868 -0.387 0.000 1.159 112 T HN 0.400 nan 8.240 nan 0.000 0.499 113 S N -0.175 115.040 115.700 -0.808 0.000 2.556 113 S HA 0.347 4.805 4.470 -0.019 0.000 0.280 113 S C -0.715 173.789 174.600 -0.159 0.000 1.141 113 S CA -0.589 57.296 58.200 -0.526 0.000 0.883 113 S CB 1.595 64.362 63.200 -0.723 0.000 1.103 113 S HN 0.702 nan 8.310 nan 0.000 0.453 114 D N 1.877 122.248 120.400 -0.049 0.000 2.317 114 D HA 0.110 4.738 4.640 -0.019 0.000 0.211 114 D C 1.038 177.388 176.300 0.083 0.000 0.966 114 D CA 1.184 55.203 54.000 0.032 0.000 0.876 114 D CB 0.176 40.991 40.800 0.024 0.000 0.927 114 D HN 0.720 nan 8.370 nan 0.000 0.519 115 T N -1.810 112.807 114.554 0.104 0.000 2.925 115 T HA 0.533 4.872 4.350 -0.019 0.000 0.285 115 T C -2.841 172.030 174.700 0.286 0.000 1.021 115 T CA -2.324 59.864 62.100 0.147 0.000 1.042 115 T CB 2.057 70.995 68.868 0.116 0.000 1.037 115 T HN -0.327 nan 8.240 nan 0.000 0.481 116 P HA 0.228 nan 4.420 nan 0.000 0.261 116 P C -0.824 176.816 177.300 0.568 0.000 1.173 116 P CA 0.055 63.376 63.100 0.367 0.000 0.760 116 P CB -0.151 31.668 31.700 0.198 0.000 0.783 117 F N 1.774 121.917 119.950 0.322 0.000 2.626 117 F HA 0.717 5.232 4.527 -0.020 0.000 0.311 117 F C -1.264 174.604 175.800 0.114 0.000 1.088 117 F CA -1.446 56.703 58.000 0.249 0.000 0.949 117 F CB 1.221 40.310 39.000 0.149 0.000 1.322 117 F HN -0.044 nan 8.300 nan 0.000 0.461 118 I N 3.613 124.227 120.570 0.073 0.000 2.378 118 I HA 0.326 4.485 4.170 -0.019 0.000 0.291 118 I C -0.880 175.276 176.117 0.065 0.000 0.992 118 I CA -0.746 60.459 61.300 -0.158 0.000 1.154 118 I CB 1.529 39.343 38.000 -0.311 0.000 1.315 118 I HN 0.646 nan 8.210 nan 0.000 0.448 119 L N 8.364 129.610 121.223 0.038 0.000 2.260 119 L HA 0.464 4.793 4.340 -0.019 0.000 0.289 119 L C -0.369 176.546 176.870 0.075 0.000 1.057 119 L CA 0.224 55.151 54.840 0.145 0.000 0.811 119 L CB 0.259 42.414 42.059 0.160 0.000 1.184 119 L HN 0.354 nan 8.230 nan 0.000 0.429 120 I N 5.209 125.836 120.570 0.096 0.000 2.287 120 I HA 0.220 4.378 4.170 -0.019 0.000 0.290 120 I C -0.189 175.972 176.117 0.074 0.000 1.069 120 I CA -0.312 61.030 61.300 0.069 0.000 1.237 120 I CB 0.683 38.734 38.000 0.086 0.000 1.418 120 I HN 0.556 nan 8.210 nan 0.000 0.481 121 D N 7.021 127.445 120.400 0.039 0.000 2.249 121 D HA 0.230 4.859 4.640 -0.019 0.000 0.246 121 D C 0.447 176.764 176.300 0.030 0.000 1.114 121 D CA -0.240 53.782 54.000 0.037 0.000 0.854 121 D CB 1.723 42.524 40.800 0.003 0.000 1.132 121 D HN 0.461 nan 8.370 nan 0.000 0.461 122 L N 4.608 125.861 121.223 0.050 0.000 2.653 122 L HA 0.067 4.395 4.340 -0.019 0.000 0.231 122 L C 2.296 179.188 176.870 0.037 0.000 1.153 122 L CA -0.111 54.758 54.840 0.048 0.000 0.933 122 L CB -0.281 41.814 42.059 0.060 0.000 1.175 122 L HN 0.478 nan 8.230 nan 0.000 0.473 123 M N -1.873 117.749 119.600 0.037 0.000 2.267 123 M HA -0.142 4.327 4.480 -0.019 0.000 0.263 123 M C 1.169 177.485 176.300 0.026 0.000 1.063 123 M CA 1.747 57.071 55.300 0.039 0.000 1.090 123 M CB -0.494 32.169 32.600 0.104 0.000 1.392 123 M HN 0.121 nan 8.290 nan 0.000 0.422 124 N N 1.450 120.163 118.700 0.021 0.000 2.494 124 N HA 0.170 4.899 4.740 -0.019 0.000 0.182 124 N C 0.349 175.877 175.510 0.029 0.000 1.076 124 N CA 0.683 53.745 53.050 0.020 0.000 0.908 124 N CB -0.063 38.427 38.487 0.005 0.000 0.967 124 N HN 0.467 nan 8.380 nan 0.000 0.449 125 L N 2.296 123.540 121.223 0.035 0.000 2.598 125 L HA 0.217 4.546 4.340 -0.019 0.000 0.241 125 L C 0.388 177.259 176.870 0.002 0.000 1.244 125 L CA -0.296 54.570 54.840 0.044 0.000 1.198 125 L CB -0.285 41.820 42.059 0.076 0.000 1.448 125 L HN 0.069 nan 8.230 nan 0.000 0.406 126 N N 0.476 119.176 118.700 0.000 0.000 2.351 126 N HA 0.059 4.787 4.740 -0.019 0.000 0.254 126 N C 0.097 175.603 175.510 -0.007 0.000 1.241 126 N CA -0.513 52.527 53.050 -0.016 0.000 0.883 126 N CB 0.332 38.798 38.487 -0.034 0.000 1.202 126 N HN 0.270 nan 8.380 nan 0.000 0.512 127 R N 0.130 120.631 120.500 0.001 0.000 2.340 127 R HA 0.436 4.764 4.340 -0.019 0.000 0.300 127 R C -0.625 175.686 176.300 0.018 0.000 1.069 127 R CA -0.414 55.695 56.100 0.016 0.000 0.984 127 R CB 1.520 31.836 30.300 0.027 0.000 1.003 127 R HN -0.066 nan 8.270 nan 0.000 0.459 128 V N 2.430 122.364 119.914 0.033 0.000 2.417 128 V HA 0.246 4.355 4.120 -0.019 0.000 0.291 128 V C -0.394 175.733 176.094 0.055 0.000 1.024 128 V CA -0.566 61.758 62.300 0.040 0.000 0.861 128 V CB 1.917 33.759 31.823 0.032 0.000 0.985 128 V HN 0.765 nan 8.190 nan 0.000 0.436 129 S N 6.075 121.824 115.700 0.082 0.000 2.594 129 S HA 0.603 5.061 4.470 -0.019 0.000 0.322 129 S C -0.333 174.316 174.600 0.081 0.000 1.085 129 S CA -0.332 57.922 58.200 0.091 0.000 1.116 129 S CB 0.685 63.961 63.200 0.125 0.000 0.979 129 S HN 0.541 nan 8.310 nan 0.000 0.465 130 I N 2.811 123.407 120.570 0.043 0.000 2.342 130 I HA 0.238 4.396 4.170 -0.019 0.000 0.291 130 I C -0.088 176.042 176.117 0.022 0.000 1.010 130 I CA -0.339 60.970 61.300 0.015 0.000 1.308 130 I CB 0.865 38.863 38.000 -0.003 0.000 1.400 130 I HN 0.435 nan 8.210 nan 0.000 0.488 131 D N 7.157 127.565 120.400 0.013 0.000 2.454 131 D HA 0.237 4.865 4.640 -0.019 0.000 0.225 131 D C 0.674 176.969 176.300 -0.008 0.000 1.081 131 D CA -0.274 53.736 54.000 0.017 0.000 0.864 131 D CB 1.195 42.017 40.800 0.036 0.000 1.040 131 D HN 0.436 nan 8.370 nan 0.000 0.517 132 L N 2.494 123.712 121.223 -0.008 0.000 2.376 132 L HA -0.051 4.277 4.340 -0.019 0.000 0.219 132 L C 1.883 178.743 176.870 -0.017 0.000 1.133 132 L CA 0.580 55.409 54.840 -0.019 0.000 0.816 132 L CB 0.091 42.140 42.059 -0.017 0.000 0.933 132 L HN 0.304 nan 8.230 nan 0.000 0.449 133 E N -0.156 120.040 120.200 -0.007 0.000 2.158 133 E HA -0.101 4.237 4.350 -0.019 0.000 0.191 133 E C 2.250 178.845 176.600 -0.009 0.000 0.982 133 E CA 1.412 57.809 56.400 -0.006 0.000 0.823 133 E CB -0.037 29.664 29.700 0.002 0.000 0.766 133 E HN 0.492 nan 8.360 nan 0.000 0.468 134 S N -0.458 115.236 115.700 -0.010 0.000 2.511 134 S HA 0.086 4.544 4.470 -0.019 0.000 0.214 134 S C 0.335 174.914 174.600 -0.035 0.000 0.997 134 S CA -0.159 58.030 58.200 -0.017 0.000 0.908 134 S CB 0.128 63.322 63.200 -0.011 0.000 0.803 134 S HN 0.149 nan 8.310 nan 0.000 0.504 135 E N 1.801 121.977 120.200 -0.041 0.000 2.252 135 E HA -0.158 4.181 4.350 -0.019 0.000 0.218 135 E C -0.240 176.313 176.600 -0.079 0.000 1.253 135 E CA 0.747 57.111 56.400 -0.060 0.000 0.705 135 E CB -2.255 27.407 29.700 -0.062 0.000 1.172 135 E HN 0.857 nan 8.360 nan 0.000 0.369 136 T N -3.101 111.403 114.554 -0.084 0.000 2.864 136 T HA 0.863 5.202 4.350 -0.019 0.000 0.289 136 T C -0.522 174.099 174.700 -0.132 0.000 1.082 136 T CA -0.419 61.603 62.100 -0.130 0.000 1.009 136 T CB 2.576 71.354 68.868 -0.149 0.000 1.234 136 T HN 0.473 nan 8.240 nan 0.000 0.526 137 A N -0.071 122.628 122.820 -0.201 0.000 2.486 137 A HA 0.653 4.962 4.320 -0.019 0.000 0.300 137 A C -1.975 175.496 177.584 -0.188 0.000 1.048 137 A CA -1.068 50.888 52.037 -0.136 0.000 0.696 137 A CB 1.019 19.936 19.000 -0.138 0.000 1.278 137 A HN 0.823 nan 8.150 nan 0.000 0.405 138 W N 1.573 122.848 121.300 -0.043 0.000 2.361 138 W HA 0.545 5.192 4.660 -0.023 0.000 0.309 138 W C -0.546 175.938 176.519 -0.058 0.000 1.122 138 W CA -0.235 57.089 57.345 -0.035 0.000 1.208 138 W CB 2.022 31.469 29.460 -0.022 0.000 1.246 138 W HN 0.438 nan 8.180 nan 0.000 0.490 139 V N 4.215 124.252 119.914 0.204 0.000 2.380 139 V HA 0.156 4.265 4.120 -0.019 0.000 0.286 139 V C 0.042 176.159 176.094 0.038 0.000 1.015 139 V CA -1.287 61.068 62.300 0.091 0.000 0.834 139 V CB 0.864 32.720 31.823 0.055 0.000 1.009 139 V HN 0.481 nan 8.190 nan 0.000 0.428 140 E N 2.037 122.189 120.200 -0.080 0.000 2.442 140 E HA 0.015 4.353 4.350 -0.019 0.000 0.262 140 E C 1.052 177.588 176.600 -0.106 0.000 1.004 140 E CA 0.481 56.729 56.400 -0.254 0.000 0.928 140 E CB 0.775 30.343 29.700 -0.221 0.000 0.937 140 E HN 0.859 nan 8.360 nan 0.000 0.446 141 S N 1.646 117.257 115.700 -0.148 0.000 2.515 141 S HA -0.048 4.410 4.470 -0.019 0.000 0.231 141 S C 1.651 176.279 174.600 0.046 0.000 0.987 141 S CA 0.402 58.601 58.200 -0.001 0.000 0.936 141 S CB 0.177 63.332 63.200 -0.074 0.000 0.766 141 S HN 0.629 nan 8.310 nan 0.000 0.528 142 G N 0.950 109.756 108.800 0.009 0.000 2.712 142 G HA2 0.169 4.118 3.960 -0.019 0.000 0.212 142 G HA3 0.169 4.118 3.960 -0.019 0.000 0.212 142 G C 0.327 175.222 174.900 -0.008 0.000 1.142 142 G CA -0.240 44.869 45.100 0.016 0.000 0.789 142 G HN 0.504 nan 8.290 nan 0.000 0.535 143 S N 1.067 116.761 115.700 -0.010 0.000 2.549 143 S HA 0.347 4.805 4.470 -0.019 0.000 0.286 143 S C 0.848 175.414 174.600 -0.058 0.000 1.314 143 S CA -0.050 58.127 58.200 -0.037 0.000 1.062 143 S CB 0.981 64.165 63.200 -0.025 0.000 0.865 143 S HN 0.530 nan 8.310 nan 0.000 0.498 144 T N 0.960 115.448 114.554 -0.110 0.000 2.816 144 T HA 0.389 4.727 4.350 -0.019 0.000 0.282 144 T C 1.527 176.089 174.700 -0.231 0.000 0.993 144 T CA -0.926 61.080 62.100 -0.156 0.000 0.994 144 T CB 0.265 69.025 68.868 -0.180 0.000 1.025 144 T HN 0.402 nan 8.240 nan 0.000 0.529 145 L N 1.027 122.047 121.223 -0.338 0.000 2.042 145 L HA 0.005 4.333 4.340 -0.019 0.000 0.210 145 L C 3.053 179.504 176.870 -0.699 0.000 1.076 145 L CA 1.791 56.270 54.840 -0.602 0.000 0.749 145 L CB -1.361 40.318 42.059 -0.633 0.000 0.893 145 L HN 0.997 nan 8.230 nan 0.000 0.432 146 G N -0.294 108.287 108.800 -0.365 0.000 2.446 146 G HA2 -0.248 3.700 3.960 -0.019 0.000 0.217 146 G HA3 -0.248 3.700 3.960 -0.019 0.000 0.217 146 G C 1.424 176.288 174.900 -0.061 0.000 1.168 146 G CA 0.682 45.693 45.100 -0.149 0.000 0.771 146 G HN 0.418 nan 8.290 nan 0.000 0.551 147 E N -0.359 119.777 120.200 -0.106 0.000 2.077 147 E HA -0.120 4.219 4.350 -0.019 0.000 0.193 147 E C 2.377 179.002 176.600 0.042 0.000 0.989 147 E CA 0.845 57.227 56.400 -0.029 0.000 0.800 147 E CB -0.185 29.470 29.700 -0.074 0.000 0.746 147 E HN 0.342 nan 8.360 nan 0.000 0.452 148 L N 0.315 121.504 121.223 -0.057 0.000 1.994 148 L HA -0.204 4.125 4.340 -0.019 0.000 0.208 148 L C 2.002 178.972 176.870 0.167 0.000 1.071 148 L CA 1.779 56.609 54.840 -0.017 0.000 0.745 148 L CB -0.658 41.319 42.059 -0.138 0.000 0.892 148 L HN 0.100 nan 8.230 nan 0.000 0.431 149 Y N -1.314 119.097 120.300 0.185 0.000 2.165 149 Y HA -0.280 4.256 4.550 -0.023 0.000 0.286 149 Y C 2.619 178.625 175.900 0.178 0.000 1.155 149 Y CA 1.456 59.698 58.100 0.237 0.000 1.164 149 Y CB -1.572 36.940 38.460 0.087 0.000 0.978 149 Y HN 0.347 nan 8.280 nan 0.000 0.513 150 Y N 0.341 120.748 120.300 0.178 0.000 2.145 150 Y HA -0.202 4.353 4.550 0.007 0.000 0.286 150 Y C 2.498 178.457 175.900 0.098 0.000 1.145 150 Y CA 1.575 59.732 58.100 0.096 0.000 1.148 150 Y CB -0.622 37.863 38.460 0.041 0.000 0.981 150 Y HN 0.034 nan 8.280 nan 0.000 0.507 151 A N 0.360 123.287 122.820 0.177 0.000 1.902 151 A HA -0.181 4.127 4.320 -0.019 0.000 0.217 151 A C 2.283 179.879 177.584 0.020 0.000 1.181 151 A CA 2.035 54.113 52.037 0.070 0.000 0.623 151 A CB -1.142 17.919 19.000 0.102 0.000 0.818 151 A HN 0.588 nan 8.150 nan 0.000 0.443 152 I N -1.307 119.326 120.570 0.105 0.000 2.179 152 I HA -0.208 3.950 4.170 -0.019 0.000 0.242 152 I C 2.732 178.902 176.117 0.087 0.000 1.088 152 I CA 1.831 63.192 61.300 0.102 0.000 1.357 152 I CB -0.512 37.599 38.000 0.185 0.000 1.051 152 I HN 0.356 nan 8.210 nan 0.000 0.409 153 T N -0.041 114.600 114.554 0.145 0.000 2.833 153 T HA -0.154 4.185 4.350 -0.019 0.000 0.269 153 T C 1.800 176.454 174.700 -0.075 0.000 1.054 153 T CA 1.253 63.399 62.100 0.077 0.000 1.135 153 T CB -0.147 68.761 68.868 0.066 0.000 0.869 153 T HN 0.238 nan 8.240 nan 0.000 0.466 154 E N 1.036 121.118 120.200 -0.197 0.000 2.150 154 E HA -0.067 4.271 4.350 -0.019 0.000 0.193 154 E C 2.539 179.080 176.600 -0.099 0.000 0.985 154 E CA 1.399 57.671 56.400 -0.213 0.000 0.814 154 E CB -0.272 29.234 29.700 -0.323 0.000 0.752 154 E HN 0.733 nan 8.360 nan 0.000 0.466 155 S N -0.811 114.850 115.700 -0.064 0.000 2.446 155 S HA 0.042 4.500 4.470 -0.019 0.000 0.225 155 S C 1.079 175.659 174.600 -0.034 0.000 1.016 155 S CA 0.261 58.438 58.200 -0.039 0.000 0.943 155 S CB 0.419 63.603 63.200 -0.027 0.000 0.786 155 S HN 0.032 nan 8.310 nan 0.000 0.508 156 S N -0.146 115.536 115.700 -0.031 0.000 2.543 156 S HA 0.472 4.931 4.470 -0.019 0.000 0.274 156 S C 0.152 174.740 174.600 -0.019 0.000 1.149 156 S CA -0.030 58.151 58.200 -0.032 0.000 0.866 156 S CB 1.312 64.484 63.200 -0.046 0.000 1.111 156 S HN 0.453 nan 8.310 nan 0.000 0.457 157 S N 2.549 118.235 115.700 -0.024 0.000 2.575 157 S HA 0.321 4.779 4.470 -0.019 0.000 0.215 157 S C 0.649 175.228 174.600 -0.036 0.000 0.966 157 S CA -0.173 58.018 58.200 -0.014 0.000 0.911 157 S CB -0.232 62.956 63.200 -0.021 0.000 0.780 157 S HN 0.654 nan 8.310 nan 0.000 0.514 158 K N 0.644 121.007 120.400 -0.062 0.000 2.469 158 K HA 0.447 4.755 4.320 -0.019 0.000 0.204 158 K C -0.763 175.754 176.600 -0.138 0.000 1.047 158 K CA -0.038 56.193 56.287 -0.093 0.000 1.072 158 K CB 0.661 33.118 32.500 -0.072 0.000 0.863 158 K HN 0.312 nan 8.250 nan 0.000 0.530 159 L N -0.214 120.903 121.223 -0.177 0.000 2.370 159 L HA 0.644 4.972 4.340 -0.019 0.000 0.266 159 L C 0.126 176.660 176.870 -0.560 0.000 1.002 159 L CA -0.978 53.695 54.840 -0.279 0.000 0.818 159 L CB 2.158 44.102 42.059 -0.191 0.000 1.325 159 L HN 0.055 nan 8.230 nan 0.000 0.418 160 G N 0.575 108.877 108.800 -0.830 0.000 2.870 160 G HA2 0.721 4.670 3.960 -0.019 0.000 0.299 160 G HA3 0.721 4.670 3.960 -0.019 0.000 0.299 160 G C -2.318 172.110 174.900 -0.787 0.000 1.324 160 G CA -0.328 43.743 45.100 -1.715 0.000 0.808 160 G HN 0.285 nan 8.290 nan 0.000 0.535 161 F N -0.501 118.975 119.950 -0.791 0.000 2.641 161 F HA 0.637 5.152 4.527 -0.021 0.000 0.308 161 F C -0.367 175.471 175.800 0.063 0.000 1.105 161 F CA -0.689 57.179 58.000 -0.219 0.000 0.964 161 F CB 2.450 41.457 39.000 0.011 0.000 1.294 161 F HN 0.523 nan 8.300 nan 0.000 0.442 162 T N 4.166 118.234 114.554 -0.809 0.000 2.727 162 T HA 0.820 5.159 4.350 -0.019 0.000 0.298 162 T C -0.516 173.987 174.700 -0.328 0.000 0.942 162 T CA 0.514 62.382 62.100 -0.387 0.000 0.997 162 T CB -0.271 68.387 68.868 -0.350 0.000 0.917 162 T HN 1.012 nan 8.240 nan 0.000 0.487 163 A N 3.806 126.748 122.820 0.205 0.000 2.594 163 A HA 0.914 5.223 4.320 -0.019 0.000 0.307 163 A C 0.422 178.240 177.584 0.390 0.000 1.203 163 A CA -0.433 51.821 52.037 0.362 0.000 0.644 163 A CB 0.259 19.567 19.000 0.513 0.000 1.349 163 A HN 1.009 nan 8.150 nan 0.000 0.510 164 G N -1.920 107.119 108.800 0.398 0.000 2.684 164 G HA2 0.292 4.240 3.960 -0.019 0.000 0.255 164 G HA3 0.292 4.240 3.960 -0.019 0.000 0.255 164 G C 0.236 175.235 174.900 0.165 0.000 1.219 164 G CA 0.526 45.773 45.100 0.244 0.000 0.901 164 G HN 1.113 nan 8.290 nan 0.000 0.548 165 W N -0.269 120.989 121.300 -0.071 0.000 2.576 165 W HA 0.155 4.805 4.660 -0.016 0.000 0.275 165 W C 0.857 177.251 176.519 -0.209 0.000 1.241 165 W CA -0.147 57.097 57.345 -0.168 0.000 1.328 165 W CB 0.066 29.473 29.460 -0.089 0.000 1.092 165 W HN 0.347 nan 8.180 nan 0.000 0.586 166 C N 4.380 123.614 119.300 -0.110 0.000 2.555 166 C HA 0.135 4.583 4.460 -0.019 0.000 0.385 166 C C -0.363 174.267 174.990 -0.600 0.000 1.296 166 C CA -1.048 57.621 59.018 -0.583 0.000 1.757 166 C CB 0.668 28.172 27.740 -0.393 0.000 2.445 166 C HN 0.269 nan 8.230 nan 0.000 0.571 167 P HA -0.061 nan 4.420 nan 0.000 0.229 167 P C 1.178 178.266 177.300 -0.353 0.000 1.160 167 P CA 1.407 64.259 63.100 -0.413 0.000 0.777 167 P CB -0.096 31.404 31.700 -0.333 0.000 0.814 168 T N -3.614 110.725 114.554 -0.358 0.000 3.107 168 T HA 0.141 4.480 4.350 -0.019 0.000 0.249 168 T C 0.799 175.412 174.700 -0.145 0.000 1.096 168 T CA -0.236 61.776 62.100 -0.146 0.000 1.012 168 T CB -0.782 68.137 68.868 0.085 0.000 0.977 168 T HN -0.223 nan 8.240 nan 0.000 0.527 169 V N 2.205 121.843 119.914 -0.460 0.000 2.763 169 V HA 0.470 4.579 4.120 -0.019 0.000 0.306 169 V C 1.333 177.311 176.094 -0.193 0.000 1.059 169 V CA -0.185 61.850 62.300 -0.443 0.000 1.138 169 V CB 0.559 32.045 31.823 -0.562 0.000 0.940 169 V HN 0.621 nan 8.190 nan 0.000 0.489 170 G N 2.365 111.145 108.800 -0.033 0.000 2.415 170 G HA2 0.374 4.323 3.960 -0.019 0.000 0.269 170 G HA3 0.374 4.323 3.960 -0.019 0.000 0.269 170 G C 1.040 175.969 174.900 0.048 0.000 1.209 170 G CA 0.310 45.417 45.100 0.010 0.000 0.835 170 G HN 0.925 nan 8.290 nan 0.000 0.534 171 T N -0.056 114.537 114.554 0.064 0.000 2.915 171 T HA -0.058 4.281 4.350 -0.019 0.000 0.269 171 T C 2.385 177.283 174.700 0.330 0.000 1.071 171 T CA 1.443 63.631 62.100 0.148 0.000 1.132 171 T CB -0.280 68.678 68.868 0.151 0.000 0.878 171 T HN 0.568 nan 8.240 nan 0.000 0.479 172 G N 1.563 110.547 108.800 0.305 0.000 2.480 172 G HA2 0.041 3.990 3.960 -0.019 0.000 0.216 172 G HA3 0.041 3.990 3.960 -0.019 0.000 0.216 172 G C 1.695 176.786 174.900 0.318 0.000 1.200 172 G CA 0.680 45.986 45.100 0.344 0.000 0.782 172 G HN 0.635 nan 8.290 nan 0.000 0.554 173 G N -0.567 108.357 108.800 0.207 0.000 2.394 173 G HA2 -0.124 3.825 3.960 -0.019 0.000 0.215 173 G HA3 -0.124 3.825 3.960 -0.019 0.000 0.215 173 G C 1.585 176.568 174.900 0.138 0.000 1.165 173 G CA 1.283 46.474 45.100 0.152 0.000 0.784 173 G HN 0.570 nan 8.290 nan 0.000 0.535 174 H N 0.706 119.793 119.070 0.028 0.000 2.299 174 H HA 0.094 4.639 4.556 -0.019 0.000 0.302 174 H C 2.480 177.776 175.328 -0.053 0.000 1.078 174 H CA 1.565 57.599 56.048 -0.023 0.000 1.323 174 H CB -0.169 29.571 29.762 -0.036 0.000 1.381 174 H HN 0.284 nan 8.280 nan 0.000 0.498 175 I N -0.430 120.078 120.570 -0.103 0.000 2.394 175 I HA -0.212 3.946 4.170 -0.019 0.000 0.251 175 I C 2.249 178.159 176.117 -0.344 0.000 1.136 175 I CA 1.068 62.092 61.300 -0.459 0.000 1.425 175 I CB -0.320 37.019 38.000 -1.103 0.000 1.079 175 I HN 0.229 nan 8.210 nan 0.000 0.425 176 S N 0.796 116.525 115.700 0.048 0.000 2.419 176 S HA -0.121 4.338 4.470 -0.019 0.000 0.235 176 S C 1.863 176.531 174.600 0.114 0.000 1.019 176 S CA 1.469 59.806 58.200 0.227 0.000 0.982 176 S CB -0.353 63.058 63.200 0.352 0.000 0.789 176 S HN 0.667 nan 8.310 nan 0.000 0.490 177 G N -0.822 107.996 108.800 0.030 0.000 3.126 177 G HA2 0.506 4.454 3.960 -0.019 0.000 0.224 177 G HA3 0.506 4.454 3.960 -0.019 0.000 0.224 177 G C 0.714 175.673 174.900 0.098 0.000 1.142 177 G CA 0.377 45.509 45.100 0.053 0.000 0.759 177 G HN 0.704 nan 8.290 nan 0.000 0.550 178 G N -0.543 108.229 108.800 -0.047 0.000 2.261 178 G HA2 0.397 4.345 3.960 -0.019 0.000 0.228 178 G HA3 0.397 4.345 3.960 -0.019 0.000 0.228 178 G C 0.605 175.343 174.900 -0.270 0.000 2.090 178 G CA 0.712 45.761 45.100 -0.084 0.000 1.588 178 G HN 2.027 nan 8.290 nan 0.000 0.520 179 G N -0.268 108.373 108.800 -0.265 0.000 2.826 179 G HA2 0.391 4.340 3.960 -0.019 0.000 0.623 179 G HA3 0.391 4.340 3.960 -0.019 0.000 0.623 179 G C -0.560 174.276 174.900 -0.106 0.000 1.127 179 G CA 0.348 45.108 45.100 -0.566 0.000 1.165 179 G HN 1.752 nan 8.290 nan 0.000 0.504 180 F N 2.594 122.513 119.950 -0.051 0.000 2.443 180 F HA 0.825 5.342 4.527 -0.017 0.000 0.335 180 F C 0.746 176.594 175.800 0.080 0.000 1.104 180 F CA 0.860 58.810 58.000 -0.084 0.000 1.013 180 F CB 1.767 40.658 39.000 -0.182 0.000 1.136 180 F HN 0.767 nan 8.300 nan 0.000 0.470 181 G N 4.374 112.857 108.800 -0.528 0.000 2.706 181 G HA2 0.190 4.138 3.960 -0.019 0.000 0.307 181 G HA3 0.190 4.138 3.960 -0.019 0.000 0.307 181 G C -0.195 174.453 174.900 -0.419 0.000 1.307 181 G CA -0.742 44.220 45.100 -0.230 0.000 0.790 181 G HN 0.459 nan 8.290 nan 0.000 0.503 182 M N 0.038 119.488 119.600 -0.249 0.000 2.549 182 M HA 0.182 4.651 4.480 -0.019 0.000 0.260 182 M C 1.812 177.942 176.300 -0.283 0.000 1.076 182 M CA 1.141 56.301 55.300 -0.233 0.000 1.090 182 M CB -0.620 31.810 32.600 -0.284 0.000 1.418 182 M HN 0.392 nan 8.290 nan 0.000 0.486 183 M N -1.692 117.768 119.600 -0.232 0.000 2.405 183 M HA 0.089 4.558 4.480 -0.019 0.000 0.292 183 M C 1.402 177.554 176.300 -0.247 0.000 1.111 183 M CA -0.037 55.149 55.300 -0.189 0.000 0.979 183 M CB 0.172 32.775 32.600 0.005 0.000 1.426 183 M HN -0.006 nan 8.290 nan 0.000 0.509 184 S N 0.841 116.272 115.700 -0.449 0.000 2.423 184 S HA -0.009 4.449 4.470 -0.019 0.000 0.231 184 S C 1.804 176.190 174.600 -0.356 0.000 1.014 184 S CA 0.969 58.843 58.200 -0.543 0.000 0.965 184 S CB -0.105 62.394 63.200 -1.168 0.000 0.785 184 S HN 0.511 nan 8.310 nan 0.000 0.495 185 R N 0.805 121.152 120.500 -0.256 0.000 2.189 185 R HA 0.029 4.357 4.340 -0.019 0.000 0.218 185 R C 2.120 178.309 176.300 -0.185 0.000 1.074 185 R CA 0.953 56.976 56.100 -0.128 0.000 0.991 185 R CB -0.063 30.236 30.300 -0.001 0.000 0.883 185 R HN 0.152 nan 8.270 nan 0.000 0.457 186 K N -0.619 119.602 120.400 -0.299 0.000 2.214 186 K HA 0.002 4.311 4.320 -0.019 0.000 0.201 186 K C 0.459 176.686 176.600 -0.621 0.000 1.049 186 K CA 1.060 57.014 56.287 -0.555 0.000 0.978 186 K CB 0.391 32.400 32.500 -0.820 0.000 0.842 186 K HN 0.031 nan 8.250 nan 0.000 0.474 187 Y N -0.663 119.500 120.300 -0.229 0.000 2.563 187 Y HA 0.391 4.930 4.550 -0.019 0.000 0.250 187 Y C 0.707 176.462 175.900 -0.242 0.000 1.126 187 Y CA -0.247 57.712 58.100 -0.234 0.000 1.231 187 Y CB 1.083 39.388 38.460 -0.258 0.000 1.288 187 Y HN 0.236 nan 8.280 nan 0.000 0.537 188 G N 0.879 109.595 108.800 -0.139 0.000 2.593 188 G HA2 -0.258 3.691 3.960 -0.019 0.000 0.237 188 G HA3 -0.258 3.691 3.960 -0.019 0.000 0.237 188 G C -0.470 174.280 174.900 -0.251 0.000 1.312 188 G CA -0.449 44.543 45.100 -0.180 0.000 0.896 188 G HN 0.130 nan 8.290 nan 0.000 0.574 189 L N 0.615 121.702 121.223 -0.227 0.000 2.456 189 L HA 0.524 4.853 4.340 -0.019 0.000 0.257 189 L C 2.377 179.095 176.870 -0.253 0.000 1.162 189 L CA -0.115 54.568 54.840 -0.262 0.000 0.808 189 L CB 0.694 42.589 42.059 -0.273 0.000 1.136 189 L HN 1.116 nan 8.230 nan 0.000 0.466 190 A N 1.761 124.429 122.820 -0.255 0.000 1.892 190 A HA -0.240 4.069 4.320 -0.019 0.000 0.218 190 A C 2.277 179.780 177.584 -0.136 0.000 1.188 190 A CA 2.179 54.091 52.037 -0.209 0.000 0.631 190 A CB -0.886 18.105 19.000 -0.015 0.000 0.822 190 A HN 0.917 nan 8.150 nan 0.000 0.447 191 A N -0.484 122.206 122.820 -0.218 0.000 2.070 191 A HA -0.134 4.174 4.320 -0.019 0.000 0.220 191 A C 1.526 179.034 177.584 -0.127 0.000 1.159 191 A CA 1.674 53.560 52.037 -0.251 0.000 0.656 191 A CB -0.483 18.349 19.000 -0.280 0.000 0.800 191 A HN 0.479 nan 8.150 nan 0.000 0.453 192 D N 0.075 120.456 120.400 -0.031 0.000 2.371 192 D HA -0.037 4.592 4.640 -0.019 0.000 0.221 192 D C 0.501 176.905 176.300 0.172 0.000 0.986 192 D CA 0.573 54.680 54.000 0.180 0.000 0.899 192 D CB -0.122 40.771 40.800 0.156 0.000 0.902 192 D HN 0.471 nan 8.370 nan 0.000 0.530 193 N N 0.123 118.866 118.700 0.072 0.000 2.291 193 N HA 0.066 4.794 4.740 -0.019 0.000 0.244 193 N C -0.582 175.022 175.510 0.157 0.000 1.216 193 N CA -0.018 53.103 53.050 0.117 0.000 0.879 193 N CB 2.249 40.778 38.487 0.069 0.000 1.167 193 N HN -0.077 nan 8.380 nan 0.000 0.515 194 V N 1.940 121.912 119.914 0.097 0.000 2.432 194 V HA 0.131 4.239 4.120 -0.019 0.000 0.275 194 V C 1.408 177.648 176.094 0.244 0.000 1.043 194 V CA -0.257 62.106 62.300 0.104 0.000 0.925 194 V CB 1.667 33.502 31.823 0.019 0.000 0.985 194 V HN 0.094 nan 8.190 nan 0.000 0.466 195 V N -0.044 119.989 119.914 0.197 0.000 3.645 195 V HA 0.512 4.621 4.120 -0.019 0.000 0.275 195 V C 0.246 176.374 176.094 0.057 0.000 1.356 195 V CA 0.421 62.825 62.300 0.173 0.000 1.051 195 V CB 0.656 32.491 31.823 0.019 0.000 0.828 195 V HN 0.767 nan 8.190 nan 0.000 0.441 196 D N -0.684 119.767 120.400 0.085 0.000 2.692 196 D HA 0.798 5.427 4.640 -0.019 0.000 0.290 196 D C -1.292 175.149 176.300 0.236 0.000 1.281 196 D CA 0.543 54.541 54.000 -0.004 0.000 0.804 196 D CB 2.289 43.025 40.800 -0.107 0.000 1.331 196 D HN 0.551 nan 8.370 nan 0.000 0.432 197 A N 0.645 123.670 122.820 0.341 0.000 2.608 197 A HA 0.574 4.882 4.320 -0.019 0.000 0.292 197 A C -1.858 175.930 177.584 0.339 0.000 1.066 197 A CA -0.590 51.655 52.037 0.347 0.000 0.676 197 A CB 1.120 20.252 19.000 0.220 0.000 1.277 197 A HN 0.325 nan 8.150 nan 0.000 0.413 198 I N 1.796 122.518 120.570 0.253 0.000 2.355 198 I HA 0.429 4.588 4.170 -0.019 0.000 0.288 198 I C -0.829 175.310 176.117 0.036 0.000 0.999 198 I CA -0.356 61.035 61.300 0.152 0.000 1.163 198 I CB 1.004 39.127 38.000 0.205 0.000 1.316 198 I HN 0.605 nan 8.210 nan 0.000 0.454 199 L N 8.190 129.424 121.223 0.017 0.000 2.313 199 L HA 0.561 4.890 4.340 -0.019 0.000 0.283 199 L C -0.650 176.214 176.870 -0.009 0.000 1.013 199 L CA -0.233 54.589 54.840 -0.031 0.000 0.816 199 L CB 1.183 43.227 42.059 -0.024 0.000 1.236 199 L HN 0.227 nan 8.230 nan 0.000 0.419 200 I N 4.871 125.428 120.570 -0.020 0.000 2.304 200 I HA 0.272 4.431 4.170 -0.019 0.000 0.291 200 I C 0.065 176.187 176.117 0.008 0.000 1.018 200 I CA -0.498 60.805 61.300 0.005 0.000 1.260 200 I CB 0.618 38.632 38.000 0.024 0.000 1.390 200 I HN 0.672 nan 8.210 nan 0.000 0.475 201 D N 5.658 126.091 120.400 0.054 0.000 2.478 201 D HA 0.274 4.903 4.640 -0.019 0.000 0.269 201 D C 1.055 177.511 176.300 0.259 0.000 1.232 201 D CA -0.486 53.578 54.000 0.107 0.000 1.059 201 D CB 0.858 41.715 40.800 0.096 0.000 1.104 201 D HN 0.415 nan 8.370 nan 0.000 0.566 202 A N -0.134 122.900 122.820 0.357 0.000 2.076 202 A HA -0.195 4.114 4.320 -0.019 0.000 0.220 202 A C 1.458 179.134 177.584 0.153 0.000 1.160 202 A CA 1.199 53.437 52.037 0.335 0.000 0.653 202 A CB -0.666 18.468 19.000 0.223 0.000 0.801 202 A HN 0.573 nan 8.150 nan 0.000 0.455 203 N N -1.239 117.534 118.700 0.121 0.000 2.230 203 N HA 0.196 4.924 4.740 -0.019 0.000 0.202 203 N C 1.052 176.603 175.510 0.069 0.000 1.119 203 N CA 0.922 54.018 53.050 0.075 0.000 0.851 203 N CB 0.633 39.154 38.487 0.057 0.000 0.990 203 N HN 0.609 nan 8.380 nan 0.000 0.497 204 G N 0.373 109.226 108.800 0.088 0.000 2.157 204 G HA2 -0.268 3.681 3.960 -0.019 0.000 0.248 204 G HA3 -0.268 3.681 3.960 -0.019 0.000 0.248 204 G C 0.319 175.240 174.900 0.035 0.000 0.979 204 G CA 0.158 45.295 45.100 0.062 0.000 0.650 204 G HN 0.596 nan 8.290 nan 0.000 0.529 205 A N -0.130 122.714 122.820 0.040 0.000 2.498 205 A HA 0.606 4.915 4.320 -0.019 0.000 0.239 205 A C 0.566 178.154 177.584 0.008 0.000 1.068 205 A CA 0.358 52.408 52.037 0.021 0.000 0.766 205 A CB 0.218 19.236 19.000 0.030 0.000 1.003 205 A HN 0.855 nan 8.150 nan 0.000 0.497 206 I N 2.964 123.527 120.570 -0.013 0.000 2.330 206 I HA 0.242 4.401 4.170 -0.019 0.000 0.286 206 I C -0.811 175.298 176.117 -0.013 0.000 1.025 206 I CA 0.127 61.409 61.300 -0.030 0.000 1.197 206 I CB 0.485 38.442 38.000 -0.072 0.000 1.358 206 I HN 0.427 nan 8.210 nan 0.000 0.467 207 L N 6.175 127.403 121.223 0.007 0.000 2.325 207 L HA 0.426 4.755 4.340 -0.019 0.000 0.281 207 L C -0.257 176.640 176.870 0.045 0.000 1.004 207 L CA -0.931 53.923 54.840 0.024 0.000 0.823 207 L CB 1.370 43.449 42.059 0.034 0.000 1.236 207 L HN 0.535 nan 8.230 nan 0.000 0.415 208 D N 1.822 122.249 120.400 0.045 0.000 2.478 208 D HA 0.120 4.749 4.640 -0.019 0.000 0.269 208 D C 1.093 177.418 176.300 0.042 0.000 1.232 208 D CA -0.662 53.386 54.000 0.079 0.000 1.059 208 D CB 0.713 41.565 40.800 0.086 0.000 1.104 208 D HN 0.399 nan 8.370 nan 0.000 0.566 209 R N -0.907 119.579 120.500 -0.022 0.000 2.083 209 R HA -0.201 4.128 4.340 -0.019 0.000 0.237 209 R C 1.878 178.104 176.300 -0.123 0.000 1.137 209 R CA 1.469 57.448 56.100 -0.201 0.000 0.951 209 R CB -0.127 29.791 30.300 -0.637 0.000 0.851 209 R HN 0.403 nan 8.270 nan 0.000 0.434 210 Q N -0.046 119.702 119.800 -0.086 0.000 2.124 210 Q HA -0.092 4.236 4.340 -0.019 0.000 0.202 210 Q C 2.026 178.016 176.000 -0.016 0.000 0.977 210 Q CA 1.724 57.497 55.803 -0.050 0.000 0.850 210 Q CB -0.294 28.423 28.738 -0.035 0.000 0.901 210 Q HN 0.494 nan 8.270 nan 0.000 0.429 211 A N 1.375 124.194 122.820 -0.001 0.000 1.897 211 A HA -0.115 4.193 4.320 -0.019 0.000 0.215 211 A C 2.121 179.721 177.584 0.025 0.000 1.181 211 A CA 1.547 53.591 52.037 0.012 0.000 0.620 211 A CB -0.523 18.486 19.000 0.014 0.000 0.821 211 A HN 0.506 nan 8.150 nan 0.000 0.443 212 M N -2.014 117.609 119.600 0.039 0.000 2.419 212 M HA 0.357 4.826 4.480 -0.019 0.000 0.264 212 M C 1.025 177.363 176.300 0.063 0.000 1.082 212 M CA 1.042 56.378 55.300 0.060 0.000 1.119 212 M CB -0.575 32.076 32.600 0.086 0.000 1.398 212 M HN 0.809 nan 8.290 nan 0.000 0.453 213 G N 0.941 109.772 108.800 0.051 0.000 2.699 213 G HA2 -0.156 3.792 3.960 -0.019 0.000 0.686 213 G HA3 -0.156 3.792 3.960 -0.019 0.000 0.686 213 G C -0.198 174.757 174.900 0.092 0.000 1.301 213 G CA -0.214 44.915 45.100 0.049 0.000 0.816 213 G HN 0.365 nan 8.290 nan 0.000 0.595 214 E N -0.056 120.189 120.200 0.076 0.000 2.150 214 E HA -0.066 4.273 4.350 -0.019 0.000 0.193 214 E C 1.992 178.677 176.600 0.141 0.000 0.985 214 E CA 1.369 57.845 56.400 0.126 0.000 0.814 214 E CB -0.081 29.660 29.700 0.068 0.000 0.752 214 E HN 0.560 nan 8.360 nan 0.000 0.466 215 D N 0.218 120.658 120.400 0.068 0.000 2.097 215 D HA -0.103 4.525 4.640 -0.019 0.000 0.197 215 D C 2.087 178.454 176.300 0.112 0.000 0.984 215 D CA 0.761 54.793 54.000 0.054 0.000 0.826 215 D CB -0.022 40.779 40.800 0.002 0.000 0.973 215 D HN 0.014 nan 8.370 nan 0.000 0.460 216 V N 0.776 120.733 119.914 0.073 0.000 2.453 216 V HA -0.187 3.922 4.120 -0.019 0.000 0.247 216 V C 2.149 178.227 176.094 -0.026 0.000 1.048 216 V CA 0.980 63.276 62.300 -0.008 0.000 1.049 216 V CB -0.538 31.309 31.823 0.040 0.000 0.672 216 V HN 0.080 nan 8.190 nan 0.000 0.457 217 F N -0.134 119.797 119.950 -0.032 0.000 2.216 217 F HA -0.179 4.335 4.527 -0.020 0.000 0.300 217 F C 2.049 177.834 175.800 -0.026 0.000 1.085 217 F CA 1.391 59.377 58.000 -0.023 0.000 1.326 217 F CB -0.353 38.655 39.000 0.014 0.000 1.027 217 F HN 0.312 nan 8.300 nan 0.000 0.497 218 W N 1.016 122.167 121.300 -0.249 0.000 2.378 218 W HA -0.109 4.540 4.660 -0.019 0.000 0.313 218 W C 2.376 178.634 176.519 -0.435 0.000 1.197 218 W CA 2.680 59.813 57.345 -0.353 0.000 1.304 218 W CB -0.829 28.503 29.460 -0.215 0.000 1.148 218 W HN 0.023 nan 8.180 nan 0.000 0.494 219 A N 1.194 123.786 122.820 -0.379 0.000 1.908 219 A HA -0.222 4.087 4.320 -0.019 0.000 0.218 219 A C 2.063 178.978 177.584 -1.115 0.000 1.181 219 A CA 2.270 53.743 52.037 -0.941 0.000 0.627 219 A CB -1.555 16.718 19.000 -1.213 0.000 0.818 219 A HN 0.654 nan 8.150 nan 0.000 0.445 220 I N -3.644 116.408 120.570 -0.863 0.000 2.830 220 I HA -0.008 4.150 4.170 -0.019 0.000 0.263 220 I C 1.157 177.136 176.117 -0.231 0.000 1.230 220 I CA 0.716 61.692 61.300 -0.540 0.000 1.480 220 I CB -0.193 37.656 38.000 -0.252 0.000 1.095 220 I HN 0.046 nan 8.210 nan 0.000 0.455 221 R N 2.120 122.354 120.500 -0.443 0.000 4.609 221 R HA 0.316 4.644 4.340 -0.019 0.000 0.235 221 R C 0.671 176.759 176.300 -0.354 0.000 1.836 221 R CA 0.507 56.362 56.100 -0.408 0.000 1.564 221 R CB 0.107 30.071 30.300 -0.559 0.000 1.382 221 R HN 0.689 nan 8.270 nan 0.000 0.776 222 G N -1.107 107.572 108.800 -0.202 0.000 2.425 222 G HA2 -0.197 3.752 3.960 -0.019 0.000 0.177 222 G HA3 -0.197 3.752 3.960 -0.019 0.000 0.177 222 G C 0.820 175.799 174.900 0.131 0.000 0.999 222 G CA -0.305 44.781 45.100 -0.024 0.000 0.723 222 G HN 0.495 nan 8.290 nan 0.000 0.491 223 G N 0.294 109.072 108.800 -0.036 0.000 2.848 223 G HA2 0.546 4.494 3.960 -0.019 0.000 0.208 223 G HA3 0.546 4.494 3.960 -0.019 0.000 0.208 223 G C 1.122 176.352 174.900 0.551 0.000 1.152 223 G CA 1.474 46.621 45.100 0.079 0.000 0.789 223 G HN 1.967 nan 8.290 nan 0.000 0.531 224 G N -1.745 107.357 108.800 0.502 0.000 2.770 224 G HA2 0.443 4.391 3.960 -0.019 0.000 0.686 224 G HA3 0.443 4.391 3.960 -0.019 0.000 0.686 224 G C 0.198 175.340 174.900 0.403 0.000 1.180 224 G CA -0.383 44.970 45.100 0.422 0.000 0.767 224 G HN 0.917 nan 8.290 nan 0.000 0.646 225 G N -0.658 108.292 108.800 0.249 0.000 2.572 225 G HA2 0.674 4.623 3.960 -0.019 0.000 0.261 225 G HA3 0.674 4.623 3.960 -0.019 0.000 0.261 225 G C 1.456 176.456 174.900 0.166 0.000 1.197 225 G CA 1.266 46.493 45.100 0.210 0.000 0.870 225 G HN 2.540 nan 8.290 nan 0.000 0.548 226 G N -1.393 107.486 108.800 0.131 0.000 2.160 226 G HA2 -0.182 3.766 3.960 -0.019 0.000 0.251 226 G HA3 -0.182 3.766 3.960 -0.019 0.000 0.251 226 G C 0.586 175.546 174.900 0.100 0.000 1.008 226 G CA 0.604 45.803 45.100 0.165 0.000 0.724 226 G HN 1.288 nan 8.290 nan 0.000 0.514 227 V N -2.916 116.886 119.914 -0.187 0.000 3.350 227 V HA 0.234 4.343 4.120 -0.019 0.000 0.246 227 V C 1.831 177.487 176.094 -0.730 0.000 1.363 227 V CA 1.486 63.430 62.300 -0.594 0.000 1.162 227 V CB -0.284 30.882 31.823 -1.094 0.000 0.947 227 V HN 0.492 nan 8.190 nan 0.000 0.454 228 W N 0.798 122.032 121.300 -0.111 0.000 2.993 228 W HA 0.661 5.309 4.660 -0.019 0.000 0.290 228 W C 1.120 177.394 176.519 -0.408 0.000 1.203 228 W CA 0.643 57.892 57.345 -0.160 0.000 1.582 228 W CB 0.702 30.099 29.460 -0.105 0.000 1.033 228 W HN 0.338 nan 8.180 nan 0.000 0.594 229 G N 0.321 108.611 108.800 -0.850 0.000 2.346 229 G HA2 0.347 4.296 3.960 -0.019 0.000 0.294 229 G HA3 0.347 4.296 3.960 -0.019 0.000 0.294 229 G C -1.721 172.656 174.900 -0.872 0.000 1.294 229 G CA -0.688 43.572 45.100 -1.401 0.000 0.962 229 G HN 0.303 nan 8.290 nan 0.000 0.508 230 A N 0.194 122.731 122.820 -0.472 0.000 2.249 230 A HA 0.668 4.976 4.320 -0.019 0.000 0.314 230 A C 0.379 177.892 177.584 -0.118 0.000 1.290 230 A CA -0.558 51.382 52.037 -0.163 0.000 0.893 230 A CB 0.202 19.210 19.000 0.013 0.000 1.165 230 A HN 0.848 nan 8.150 nan 0.000 0.530 231 I N 3.822 124.301 120.570 -0.153 0.000 2.587 231 I HA -0.080 4.079 4.170 -0.019 0.000 0.284 231 I C 1.063 177.076 176.117 -0.174 0.000 1.134 231 I CA 0.600 61.728 61.300 -0.286 0.000 1.410 231 I CB 0.021 37.657 38.000 -0.608 0.000 1.392 231 I HN 0.934 nan 8.210 nan 0.000 0.545 232 Y N 7.484 127.656 120.300 -0.213 0.000 2.231 232 Y HA 0.362 4.900 4.550 -0.018 0.000 0.294 232 Y C 0.720 176.541 175.900 -0.131 0.000 1.120 232 Y CA 0.687 58.705 58.100 -0.136 0.000 1.141 232 Y CB 0.451 38.849 38.460 -0.103 0.000 1.022 232 Y HN 0.582 nan 8.280 nan 0.000 0.523 233 A N -1.624 120.901 122.820 -0.491 0.000 2.594 233 A HA 0.501 4.810 4.320 -0.019 0.000 0.295 233 A C -2.124 175.392 177.584 -0.113 0.000 1.071 233 A CA -0.654 51.154 52.037 -0.382 0.000 0.685 233 A CB 0.039 18.805 19.000 -0.389 0.000 1.285 233 A HN 0.320 nan 8.150 nan 0.000 0.405 234 W N 1.097 122.462 121.300 0.108 0.000 2.520 234 W HA 0.632 5.279 4.660 -0.021 0.000 0.323 234 W C 0.399 176.776 176.519 -0.237 0.000 1.062 234 W CA -0.421 56.923 57.345 -0.001 0.000 1.215 234 W CB 1.727 31.148 29.460 -0.065 0.000 1.340 234 W HN 0.670 nan 8.180 nan 0.000 0.516 235 K N 5.213 125.390 120.400 -0.371 0.000 2.263 235 K HA 0.485 4.794 4.320 -0.019 0.000 0.272 235 K C -0.632 175.744 176.600 -0.374 0.000 1.033 235 K CA -0.440 55.317 56.287 -0.883 0.000 0.884 235 K CB 0.415 31.894 32.500 -1.701 0.000 1.107 235 K HN 0.623 nan 8.250 nan 0.000 0.460 236 I N 0.360 120.718 120.570 -0.352 0.000 2.648 236 I HA 0.524 4.682 4.170 -0.019 0.000 0.304 236 I C -0.818 175.176 176.117 -0.206 0.000 1.009 236 I CA -1.234 59.909 61.300 -0.262 0.000 1.114 236 I CB 1.742 39.389 38.000 -0.588 0.000 1.293 236 I HN 0.311 nan 8.210 nan 0.000 0.449 237 K N 5.218 125.586 120.400 -0.054 0.000 2.258 237 K HA 0.505 4.813 4.320 -0.019 0.000 0.284 237 K C -0.972 175.623 176.600 -0.008 0.000 1.051 237 K CA -0.270 55.990 56.287 -0.044 0.000 0.923 237 K CB 0.654 33.145 32.500 -0.016 0.000 1.046 237 K HN 0.693 nan 8.250 nan 0.000 0.474 238 L N 5.417 126.592 121.223 -0.081 0.000 2.417 238 L HA 0.342 4.671 4.340 -0.019 0.000 0.268 238 L C -0.158 176.614 176.870 -0.162 0.000 1.158 238 L CA -0.600 54.185 54.840 -0.092 0.000 0.819 238 L CB 0.415 42.396 42.059 -0.130 0.000 1.112 238 L HN 0.485 nan 8.230 nan 0.000 0.458 239 L N 3.208 124.269 121.223 -0.271 0.000 2.342 239 L HA 0.524 4.853 4.340 -0.019 0.000 0.271 239 L C -2.357 174.321 176.870 -0.320 0.000 1.008 239 L CA -2.146 52.423 54.840 -0.450 0.000 0.818 239 L CB 1.881 43.344 42.059 -0.992 0.000 1.296 239 L HN 0.322 nan 8.230 nan 0.000 0.427 240 P HA 0.155 nan 4.420 nan 0.000 0.271 240 P C -1.114 176.282 177.300 0.160 0.000 1.216 240 P CA -0.230 62.879 63.100 0.015 0.000 0.776 240 P CB 0.979 32.754 31.700 0.125 0.000 0.881 241 V N 0.393 120.270 119.914 -0.063 0.000 2.925 241 V HA 0.706 4.814 4.120 -0.019 0.000 0.311 241 V C -2.818 173.063 176.094 -0.355 0.000 1.104 241 V CA -3.143 58.994 62.300 -0.271 0.000 0.954 241 V CB 1.761 33.402 31.823 -0.303 0.000 1.022 241 V HN 0.248 nan 8.190 nan 0.000 0.427 242 P HA 0.310 nan 4.420 nan 0.000 0.272 242 P C 0.541 177.705 177.300 -0.227 0.000 1.230 242 P CA -0.104 62.770 63.100 -0.378 0.000 0.788 242 P CB 0.650 32.061 31.700 -0.481 0.000 0.949 243 E N 0.090 120.202 120.200 -0.146 0.000 2.204 243 E HA -0.106 4.233 4.350 -0.019 0.000 0.195 243 E C 0.053 176.603 176.600 -0.084 0.000 0.990 243 E CA 1.121 57.467 56.400 -0.090 0.000 0.821 243 E CB 0.081 29.742 29.700 -0.066 0.000 0.750 243 E HN 0.297 nan 8.360 nan 0.000 0.477 244 K N 0.903 121.231 120.400 -0.118 0.000 2.426 244 K HA 0.283 4.591 4.320 -0.019 0.000 0.254 244 K C -0.339 176.152 176.600 -0.183 0.000 0.936 244 K CA -0.520 55.699 56.287 -0.112 0.000 0.801 244 K CB 2.086 34.537 32.500 -0.082 0.000 1.139 244 K HN -0.085 nan 8.250 nan 0.000 0.424 245 V N -0.915 118.886 119.914 -0.189 0.000 3.093 245 V HA 0.710 4.819 4.120 -0.019 0.000 0.320 245 V C -0.078 175.884 176.094 -0.221 0.000 1.093 245 V CA -0.595 61.516 62.300 -0.315 0.000 1.016 245 V CB 1.853 33.416 31.823 -0.434 0.000 1.096 245 V HN 0.623 nan 8.190 nan 0.000 0.452 246 T N 2.121 116.531 114.554 -0.240 0.000 2.807 246 T HA 0.734 5.073 4.350 -0.019 0.000 0.279 246 T C -0.353 174.319 174.700 -0.047 0.000 0.993 246 T CA -0.306 61.778 62.100 -0.027 0.000 0.970 246 T CB 1.281 70.262 68.868 0.188 0.000 0.950 246 T HN 1.335 nan 8.240 nan 0.000 0.441 247 V N 0.635 120.564 119.914 0.025 0.000 3.040 247 V HA 0.996 5.105 4.120 -0.019 0.000 0.312 247 V C -1.277 174.879 176.094 0.103 0.000 1.115 247 V CA -1.486 60.831 62.300 0.028 0.000 0.998 247 V CB 1.701 33.612 31.823 0.146 0.000 1.042 247 V HN 0.821 nan 8.190 nan 0.000 0.433 248 F N -0.414 119.599 119.950 0.105 0.000 2.599 248 F HA 0.888 5.404 4.527 -0.018 0.000 0.311 248 F C -0.429 175.449 175.800 0.130 0.000 1.076 248 F CA -1.362 56.662 58.000 0.039 0.000 0.937 248 F CB 2.208 41.037 39.000 -0.285 0.000 1.282 248 F HN 0.712 nan 8.300 nan 0.000 0.460 249 R N 2.600 123.339 120.500 0.398 0.000 2.680 249 R HA 0.652 4.981 4.340 -0.019 0.000 0.278 249 R C -2.472 173.913 176.300 0.142 0.000 1.582 249 R CA -0.367 55.849 56.100 0.194 0.000 1.177 249 R CB 1.579 31.853 30.300 -0.044 0.000 1.232 249 R HN 0.746 nan 8.270 nan 0.000 0.528 250 V N 2.899 122.894 119.914 0.136 0.000 2.483 250 V HA 0.360 4.469 4.120 -0.019 0.000 0.297 250 V C -0.105 176.002 176.094 0.021 0.000 1.027 250 V CA -0.663 61.659 62.300 0.037 0.000 0.855 250 V CB 2.155 33.943 31.823 -0.060 0.000 0.995 250 V HN 0.570 nan 8.190 nan 0.000 0.424 251 T N 5.708 120.270 114.554 0.013 0.000 2.744 251 T HA 0.357 4.695 4.350 -0.019 0.000 0.291 251 T C -0.084 174.630 174.700 0.022 0.000 0.957 251 T CA -0.652 61.471 62.100 0.039 0.000 1.002 251 T CB 0.498 69.382 68.868 0.027 0.000 0.919 251 T HN 0.391 nan 8.240 nan 0.000 0.468 252 K N 3.997 124.413 120.400 0.026 0.000 2.227 252 K HA 0.292 4.601 4.320 -0.019 0.000 0.280 252 K C -0.171 176.458 176.600 0.048 0.000 1.041 252 K CA -0.558 55.731 56.287 0.004 0.000 0.905 252 K CB 0.753 33.231 32.500 -0.036 0.000 1.068 252 K HN 0.452 nan 8.250 nan 0.000 0.470 253 N N 2.671 121.393 118.700 0.037 0.000 2.546 253 N HA 0.230 4.959 4.740 -0.019 0.000 0.238 253 N C -0.185 175.343 175.510 0.030 0.000 0.984 253 N CA -0.257 52.826 53.050 0.055 0.000 0.935 253 N CB 1.411 39.925 38.487 0.045 0.000 1.122 253 N HN 0.367 nan 8.380 nan 0.000 0.510 254 V N -1.255 118.675 119.914 0.027 0.000 3.156 254 V HA 0.957 5.065 4.120 -0.019 0.000 0.310 254 V C -0.141 175.957 176.094 0.007 0.000 1.234 254 V CA -1.136 61.170 62.300 0.011 0.000 1.065 254 V CB 1.289 33.111 31.823 -0.001 0.000 1.088 254 V HN 0.466 nan 8.190 nan 0.000 0.451 255 A N 0.008 122.832 122.820 0.007 0.000 2.256 255 A HA 0.746 5.054 4.320 -0.019 0.000 0.318 255 A C 0.907 178.486 177.584 -0.009 0.000 1.103 255 A CA -0.151 51.888 52.037 0.003 0.000 0.860 255 A CB 0.811 19.821 19.000 0.016 0.000 1.182 255 A HN 1.298 nan 8.150 nan 0.000 0.501 256 I N -0.758 119.794 120.570 -0.031 0.000 2.361 256 I HA -0.199 3.959 4.170 -0.019 0.000 0.251 256 I C 1.808 177.933 176.117 0.014 0.000 1.133 256 I CA 2.311 63.561 61.300 -0.083 0.000 1.413 256 I CB -0.111 37.746 38.000 -0.237 0.000 1.073 256 I HN 0.969 nan 8.210 nan 0.000 0.424 257 D N 0.553 121.008 120.400 0.092 0.000 2.084 257 D HA -0.325 4.303 4.640 -0.019 0.000 0.194 257 D C 2.157 178.521 176.300 0.107 0.000 0.990 257 D CA 1.862 55.952 54.000 0.151 0.000 0.826 257 D CB -0.082 40.791 40.800 0.122 0.000 0.971 257 D HN 0.453 nan 8.370 nan 0.000 0.453 258 E N -0.616 119.624 120.200 0.068 0.000 2.072 258 E HA -0.156 4.182 4.350 -0.019 0.000 0.191 258 E C 2.024 178.652 176.600 0.047 0.000 0.985 258 E CA 0.898 57.333 56.400 0.058 0.000 0.801 258 E CB -0.218 29.504 29.700 0.037 0.000 0.750 258 E HN 0.342 nan 8.360 nan 0.000 0.452 259 A N 0.294 123.123 122.820 0.015 0.000 1.908 259 A HA -0.185 4.123 4.320 -0.019 0.000 0.218 259 A C 2.376 179.957 177.584 -0.005 0.000 1.181 259 A CA 2.067 54.091 52.037 -0.021 0.000 0.627 259 A CB -0.976 17.987 19.000 -0.063 0.000 0.818 259 A HN 0.337 nan 8.150 nan 0.000 0.445 260 T N 0.489 115.076 114.554 0.055 0.000 2.708 260 T HA -0.145 4.194 4.350 -0.019 0.000 0.266 260 T C 2.366 177.152 174.700 0.143 0.000 1.037 260 T CA 2.039 64.217 62.100 0.131 0.000 1.146 260 T CB -0.438 68.592 68.868 0.270 0.000 0.865 260 T HN 0.806 nan 8.240 nan 0.000 0.435 261 S N 1.604 117.393 115.700 0.148 0.000 2.402 261 S HA 0.042 4.501 4.470 -0.019 0.000 0.229 261 S C 2.098 176.831 174.600 0.221 0.000 1.021 261 S CA 0.624 58.937 58.200 0.187 0.000 0.974 261 S CB -0.765 62.528 63.200 0.156 0.000 0.800 261 S HN 0.387 nan 8.310 nan 0.000 0.484 262 L N 0.699 122.025 121.223 0.172 0.000 1.994 262 L HA -0.012 4.316 4.340 -0.019 0.000 0.208 262 L C 2.687 179.699 176.870 0.237 0.000 1.071 262 L CA 1.299 56.289 54.840 0.251 0.000 0.745 262 L CB -0.576 41.545 42.059 0.103 0.000 0.892 262 L HN 0.316 nan 8.230 nan 0.000 0.431 263 L N -1.215 119.974 121.223 -0.058 0.000 2.093 263 L HA -0.256 4.073 4.340 -0.019 0.000 0.208 263 L C 2.720 179.325 176.870 -0.443 0.000 1.085 263 L CA 1.134 55.718 54.840 -0.426 0.000 0.755 263 L CB -0.875 40.560 42.059 -1.039 0.000 0.904 263 L HN 0.427 nan 8.230 nan 0.000 0.435 264 H N 0.984 119.910 119.070 -0.240 0.000 2.387 264 H HA -0.212 4.332 4.556 -0.019 0.000 0.299 264 H C 2.254 177.695 175.328 0.189 0.000 1.090 264 H CA 1.959 58.082 56.048 0.125 0.000 1.332 264 H CB 0.347 30.269 29.762 0.266 0.000 1.386 264 H HN 0.253 nan 8.280 nan 0.000 0.516 265 K N -0.134 120.363 120.400 0.162 0.000 2.116 265 K HA -0.141 4.167 4.320 -0.019 0.000 0.203 265 K C 2.289 178.788 176.600 -0.167 0.000 1.052 265 K CA 0.985 57.302 56.287 0.051 0.000 0.952 265 K CB -0.422 32.077 32.500 -0.002 0.000 0.729 265 K HN 0.270 nan 8.250 nan 0.000 0.446 266 W N 2.926 124.117 121.300 -0.182 0.000 2.305 266 W HA -0.339 4.309 4.660 -0.020 0.000 0.308 266 W C 1.982 178.421 176.519 -0.133 0.000 1.226 266 W CA 2.628 59.920 57.345 -0.087 0.000 1.253 266 W CB -0.340 29.191 29.460 0.120 0.000 1.146 266 W HN 0.311 nan 8.180 nan 0.000 0.507 267 Q N -1.385 118.138 119.800 -0.461 0.000 2.181 267 Q HA -0.234 4.095 4.340 -0.019 0.000 0.205 267 Q C 1.933 177.419 176.000 -0.857 0.000 0.980 267 Q CA 1.951 57.212 55.803 -0.905 0.000 0.862 267 Q CB -1.290 27.142 28.738 -0.511 0.000 0.905 267 Q HN 0.389 nan 8.270 nan 0.000 0.429 268 F N 0.953 120.655 119.950 -0.414 0.000 2.149 268 F HA -0.045 4.471 4.527 -0.019 0.000 0.294 268 F C 2.419 178.014 175.800 -0.340 0.000 1.095 268 F CA 0.585 58.391 58.000 -0.324 0.000 1.276 268 F CB -0.641 38.200 39.000 -0.265 0.000 1.023 268 F HN -0.129 nan 8.300 nan 0.000 0.480 269 V N 0.464 120.231 119.914 -0.245 0.000 2.287 269 V HA -0.349 3.760 4.120 -0.019 0.000 0.248 269 V C 2.644 178.612 176.094 -0.210 0.000 1.053 269 V CA 1.958 64.117 62.300 -0.234 0.000 1.027 269 V CB -1.488 30.157 31.823 -0.296 0.000 0.646 269 V HN 0.368 nan 8.190 nan 0.000 0.447 270 A N -0.516 122.038 122.820 -0.442 0.000 1.883 270 A HA -0.268 4.041 4.320 -0.019 0.000 0.217 270 A C 2.360 179.840 177.584 -0.172 0.000 1.186 270 A CA 1.994 53.819 52.037 -0.353 0.000 0.624 270 A CB -0.536 17.934 19.000 -0.883 0.000 0.822 270 A HN 0.522 nan 8.150 nan 0.000 0.444 271 E N 0.121 120.181 120.200 -0.233 0.000 2.152 271 E HA -0.152 4.186 4.350 -0.019 0.000 0.192 271 E C 1.638 178.219 176.600 -0.031 0.000 0.983 271 E CA 1.331 57.679 56.400 -0.087 0.000 0.818 271 E CB -0.115 29.519 29.700 -0.110 0.000 0.758 271 E HN 0.779 nan 8.360 nan 0.000 0.467 272 E N -0.020 120.147 120.200 -0.055 0.000 2.385 272 E HA 0.098 4.436 4.350 -0.019 0.000 0.194 272 E C 0.507 177.082 176.600 -0.041 0.000 1.013 272 E CA -0.325 56.054 56.400 -0.036 0.000 0.866 272 E CB 0.281 29.956 29.700 -0.041 0.000 0.832 272 E HN 0.147 nan 8.360 nan 0.000 0.500 273 L N 2.530 123.729 121.223 -0.040 0.000 2.529 273 L HA -0.067 4.261 4.340 -0.019 0.000 0.287 273 L C 0.706 177.595 176.870 0.033 0.000 1.241 273 L CA 0.337 55.147 54.840 -0.050 0.000 0.857 273 L CB 0.259 42.336 42.059 0.029 0.000 1.113 273 L HN 0.102 nan 8.230 nan 0.000 0.504 274 E N 1.565 121.792 120.200 0.045 0.000 2.438 274 E HA -0.110 4.229 4.350 -0.019 0.000 0.261 274 E C 0.899 177.635 176.600 0.227 0.000 1.103 274 E CA 0.195 56.681 56.400 0.143 0.000 0.959 274 E CB 0.434 30.250 29.700 0.193 0.000 0.958 274 E HN 0.654 nan 8.360 nan 0.000 0.447 275 E N 1.202 121.462 120.200 0.100 0.000 2.333 275 E HA -0.229 4.110 4.350 -0.019 0.000 0.198 275 E C 0.339 176.935 176.600 -0.005 0.000 1.007 275 E CA 1.031 57.438 56.400 0.011 0.000 0.845 275 E CB 0.076 29.708 29.700 -0.113 0.000 0.766 275 E HN 0.347 nan 8.360 nan 0.000 0.507 276 D N -0.199 120.237 120.400 0.059 0.000 2.336 276 D HA 0.116 4.745 4.640 -0.019 0.000 0.229 276 D C -0.789 175.481 176.300 -0.050 0.000 1.061 276 D CA 0.434 54.394 54.000 -0.066 0.000 0.875 276 D CB -0.044 40.690 40.800 -0.111 0.000 0.904 276 D HN 0.150 nan 8.370 nan 0.000 0.525 277 F N -0.795 119.322 119.950 0.279 0.000 2.576 277 F HA 0.415 4.932 4.527 -0.016 0.000 0.313 277 F C 0.346 176.344 175.800 0.330 0.000 1.078 277 F CA -0.830 57.390 58.000 0.367 0.000 0.921 277 F CB 2.204 41.342 39.000 0.231 0.000 1.232 277 F HN -0.493 nan 8.300 nan 0.000 0.459 278 T N 3.335 118.247 114.554 0.596 0.000 2.921 278 T HA 0.567 4.905 4.350 -0.019 0.000 0.297 278 T C -1.808 173.184 174.700 0.488 0.000 1.013 278 T CA -0.466 61.903 62.100 0.449 0.000 0.990 278 T CB 1.735 70.785 68.868 0.305 0.000 1.023 278 T HN 0.415 nan 8.240 nan 0.000 0.447 279 L N 3.048 124.569 121.223 0.497 0.000 2.372 279 L HA 0.769 5.098 4.340 -0.019 0.000 0.274 279 L C -0.670 176.578 176.870 0.630 0.000 0.988 279 L CA 0.078 55.236 54.840 0.529 0.000 0.833 279 L CB 1.435 43.915 42.059 0.702 0.000 1.236 279 L HN 0.634 nan 8.230 nan 0.000 0.410 280 S N 2.788 118.729 115.700 0.401 0.000 2.677 280 S HA 0.919 5.378 4.470 -0.019 0.000 0.304 280 S C -1.134 173.469 174.600 0.005 0.000 1.108 280 S CA -0.643 57.731 58.200 0.289 0.000 0.944 280 S CB 2.279 65.584 63.200 0.175 0.000 1.127 280 S HN 0.385 nan 8.310 nan 0.000 0.511 281 V N 1.754 121.530 119.914 -0.230 0.000 2.760 281 V HA 0.516 4.624 4.120 -0.019 0.000 0.309 281 V C -1.121 174.835 176.094 -0.230 0.000 1.077 281 V CA -0.643 61.467 62.300 -0.317 0.000 0.910 281 V CB 1.597 33.035 31.823 -0.642 0.000 1.008 281 V HN 0.687 nan 8.190 nan 0.000 0.424 282 L N 3.347 124.498 121.223 -0.120 0.000 2.322 282 L HA 0.931 5.259 4.340 -0.019 0.000 0.281 282 L C 0.506 177.297 176.870 -0.131 0.000 1.014 282 L CA -0.173 54.652 54.840 -0.026 0.000 0.815 282 L CB 1.930 44.051 42.059 0.103 0.000 1.247 282 L HN 0.844 nan 8.230 nan 0.000 0.421 283 G N 1.012 109.592 108.800 -0.366 0.000 2.612 283 G HA2 0.785 4.734 3.960 -0.019 0.000 0.298 283 G HA3 0.785 4.734 3.960 -0.019 0.000 0.298 283 G C -1.081 173.092 174.900 -1.210 0.000 1.336 283 G CA -0.401 44.176 45.100 -0.873 0.000 0.953 283 G HN 0.827 nan 8.290 nan 0.000 0.482 284 G N -1.346 106.307 108.800 -1.912 0.000 2.600 284 G HA2 0.978 4.926 3.960 -0.019 0.000 0.293 284 G HA3 0.978 4.926 3.960 -0.019 0.000 0.293 284 G C -1.112 173.270 174.900 -0.864 0.000 1.408 284 G CA 0.339 44.770 45.100 -1.115 0.000 0.782 284 G HN 1.891 nan 8.290 nan 0.000 0.482 285 A N -0.731 121.976 122.820 -0.188 0.000 2.564 285 A HA 0.806 5.115 4.320 -0.019 0.000 0.291 285 A C -2.299 175.341 177.584 0.093 0.000 1.102 285 A CA -0.259 51.763 52.037 -0.025 0.000 0.660 285 A CB 2.211 21.162 19.000 -0.082 0.000 1.283 285 A HN 0.989 nan 8.150 nan 0.000 0.430 286 D N 0.133 120.580 120.400 0.079 0.000 2.452 286 D HA 0.390 5.018 4.640 -0.019 0.000 0.226 286 D C 0.295 176.617 176.300 0.037 0.000 1.366 286 D CA 0.323 54.360 54.000 0.062 0.000 0.986 286 D CB 0.403 41.252 40.800 0.082 0.000 1.420 286 D HN 0.676 nan 8.370 nan 0.000 0.583 287 E N 1.387 121.600 120.200 0.021 0.000 3.289 287 E HA -0.357 3.982 4.350 -0.019 0.000 0.386 287 E C 0.392 176.995 176.600 0.005 0.000 1.526 287 E CA 1.291 57.698 56.400 0.012 0.000 1.519 287 E CB -0.528 29.181 29.700 0.015 0.000 1.657 287 E HN 0.284 nan 8.360 nan 0.000 0.479 288 K N 1.349 121.754 120.400 0.009 0.000 2.432 288 K HA 0.059 4.367 4.320 -0.019 0.000 0.196 288 K C 0.436 177.042 176.600 0.009 0.000 1.038 288 K CA 0.780 57.070 56.287 0.005 0.000 0.986 288 K CB 0.080 32.587 32.500 0.011 0.000 0.782 288 K HN 0.193 nan 8.250 nan 0.000 0.485 289 Q N 0.674 120.489 119.800 0.026 0.000 2.322 289 Q HA 0.283 4.612 4.340 -0.019 0.000 0.256 289 Q C -0.967 175.066 176.000 0.056 0.000 0.960 289 Q CA -0.478 55.353 55.803 0.047 0.000 0.934 289 Q CB 1.810 30.588 28.738 0.066 0.000 1.200 289 Q HN -0.137 nan 8.270 nan 0.000 0.435 290 V N 3.933 123.866 119.914 0.032 0.000 2.483 290 V HA 0.480 4.588 4.120 -0.019 0.000 0.295 290 V C -0.478 175.654 176.094 0.063 0.000 1.035 290 V CA -0.833 61.454 62.300 -0.021 0.000 0.896 290 V CB 1.093 32.866 31.823 -0.084 0.000 0.986 290 V HN 0.729 nan 8.190 nan 0.000 0.447 291 W N 4.853 126.133 121.300 -0.034 0.000 2.587 291 W HA 0.805 5.453 4.660 -0.019 0.000 0.324 291 W C -2.049 174.437 176.519 -0.055 0.000 1.040 291 W CA -1.263 56.054 57.345 -0.046 0.000 1.222 291 W CB 1.177 30.607 29.460 -0.051 0.000 1.381 291 W HN 0.351 nan 8.180 nan 0.000 0.483 292 L N 4.346 125.630 121.223 0.101 0.000 2.372 292 L HA 0.286 4.615 4.340 -0.019 0.000 0.273 292 L C -0.009 176.924 176.870 0.104 0.000 0.989 292 L CA -0.512 54.317 54.840 -0.018 0.000 0.841 292 L CB 2.093 44.083 42.059 -0.114 0.000 1.225 292 L HN 0.335 nan 8.230 nan 0.000 0.414 293 T N 4.438 119.105 114.554 0.187 0.000 2.727 293 T HA 0.407 4.746 4.350 -0.019 0.000 0.298 293 T C 0.254 174.985 174.700 0.051 0.000 0.942 293 T CA -0.454 61.729 62.100 0.138 0.000 0.997 293 T CB 0.482 69.458 68.868 0.181 0.000 0.917 293 T HN 0.249 nan 8.240 nan 0.000 0.487 294 M N 4.582 124.218 119.600 0.060 0.000 2.108 294 M HA 0.368 4.836 4.480 -0.019 0.000 0.354 294 M C -0.467 175.939 176.300 0.177 0.000 1.229 294 M CA -0.574 54.789 55.300 0.104 0.000 1.081 294 M CB 0.314 32.987 32.600 0.122 0.000 1.606 294 M HN 0.421 nan 8.290 nan 0.000 0.467 295 L N 3.067 124.348 121.223 0.097 0.000 2.294 295 L HA 0.708 5.036 4.340 -0.019 0.000 0.283 295 L C 0.587 177.368 176.870 -0.148 0.000 1.015 295 L CA -0.576 54.273 54.840 0.015 0.000 0.831 295 L CB 1.494 43.580 42.059 0.045 0.000 1.217 295 L HN 0.818 nan 8.230 nan 0.000 0.420 296 G N 2.315 110.697 108.800 -0.698 0.000 2.452 296 G HA2 0.661 4.609 3.960 -0.019 0.000 0.324 296 G HA3 0.661 4.609 3.960 -0.019 0.000 0.324 296 G C -1.854 172.838 174.900 -0.345 0.000 1.214 296 G CA -0.338 44.150 45.100 -1.019 0.000 0.947 296 G HN 0.344 nan 8.290 nan 0.000 0.478 297 F N 1.732 121.647 119.950 -0.059 0.000 2.574 297 F HA 0.606 5.119 4.527 -0.023 0.000 0.313 297 F C -1.067 174.905 175.800 0.286 0.000 1.130 297 F CA -0.935 57.141 58.000 0.126 0.000 0.936 297 F CB 2.347 41.449 39.000 0.170 0.000 1.219 297 F HN 0.624 nan 8.300 nan 0.000 0.445 298 H N 5.254 124.110 119.070 -0.357 0.000 2.589 298 H HA 0.300 4.846 4.556 -0.017 0.000 0.351 298 H C -1.382 173.630 175.328 -0.527 0.000 1.074 298 H CA -1.071 54.774 56.048 -0.338 0.000 1.203 298 H CB 1.224 30.880 29.762 -0.177 0.000 1.558 298 H HN 0.596 nan 8.280 nan 0.000 0.522 299 F N 5.340 124.721 119.950 -0.948 0.000 2.626 299 F HA 0.400 4.918 4.527 -0.015 0.000 0.374 299 F C 0.703 175.928 175.800 -0.958 0.000 1.184 299 F CA 1.471 59.057 58.000 -0.691 0.000 1.339 299 F CB -0.839 37.958 39.000 -0.339 0.000 1.730 299 F HN 0.770 nan 8.300 nan 0.000 0.650 300 G N 1.042 109.283 108.800 -0.932 0.000 2.323 300 G HA2 0.206 4.154 3.960 -0.019 0.000 0.291 300 G HA3 0.206 4.154 3.960 -0.019 0.000 0.291 300 G C -1.512 173.300 174.900 -0.147 0.000 1.278 300 G CA -1.090 43.703 45.100 -0.512 0.000 0.860 300 G HN 0.169 nan 8.290 nan 0.000 0.504 301 L N 0.662 121.913 121.223 0.046 0.000 2.454 301 L HA 0.383 4.711 4.340 -0.019 0.000 0.256 301 L C 2.182 179.142 176.870 0.149 0.000 1.136 301 L CA -0.528 54.354 54.840 0.071 0.000 0.804 301 L CB 1.249 43.328 42.059 0.033 0.000 1.181 301 L HN 0.931 nan 8.230 nan 0.000 0.469 302 K N -1.030 119.423 120.400 0.087 0.000 2.228 302 K HA -0.091 4.218 4.320 -0.019 0.000 0.202 302 K C 1.522 178.093 176.600 -0.049 0.000 1.051 302 K CA 1.469 57.796 56.287 0.066 0.000 0.960 302 K CB -0.380 32.162 32.500 0.071 0.000 0.743 302 K HN 0.807 nan 8.250 nan 0.000 0.458 303 T N -0.150 114.392 114.554 -0.020 0.000 2.684 303 T HA -0.123 4.216 4.350 -0.019 0.000 0.267 303 T C 2.150 176.830 174.700 -0.034 0.000 1.036 303 T CA 1.412 63.488 62.100 -0.041 0.000 1.148 303 T CB -0.803 68.058 68.868 -0.011 0.000 0.863 303 T HN 0.033 nan 8.240 nan 0.000 0.436 304 V N 2.315 122.241 119.914 0.020 0.000 2.358 304 V HA -0.031 4.078 4.120 -0.019 0.000 0.246 304 V C 3.270 179.359 176.094 -0.009 0.000 1.047 304 V CA 1.460 63.775 62.300 0.025 0.000 1.035 304 V CB -1.496 30.388 31.823 0.101 0.000 0.658 304 V HN 0.699 nan 8.190 nan 0.000 0.452 305 A N 0.035 122.858 122.820 0.005 0.000 1.865 305 A HA -0.312 3.996 4.320 -0.019 0.000 0.217 305 A C 2.349 180.067 177.584 0.223 0.000 1.191 305 A CA 2.481 54.642 52.037 0.206 0.000 0.623 305 A CB -0.512 18.744 19.000 0.426 0.000 0.826 305 A HN 0.524 nan 8.150 nan 0.000 0.444 306 K N -0.676 119.592 120.400 -0.220 0.000 2.103 306 K HA -0.084 4.225 4.320 -0.019 0.000 0.204 306 K C 2.331 178.900 176.600 -0.052 0.000 1.052 306 K CA 1.299 57.362 56.287 -0.374 0.000 0.945 306 K CB -0.213 31.831 32.500 -0.759 0.000 0.722 306 K HN 0.406 nan 8.250 nan 0.000 0.443 307 S N -0.199 115.463 115.700 -0.064 0.000 2.370 307 S HA -0.150 4.309 4.470 -0.019 0.000 0.226 307 S C 1.732 176.299 174.600 -0.055 0.000 1.033 307 S CA 2.089 60.265 58.200 -0.040 0.000 1.011 307 S CB -0.419 62.758 63.200 -0.038 0.000 0.852 307 S HN 0.461 nan 8.310 nan 0.000 0.457 308 T N 0.990 115.471 114.554 -0.121 0.000 2.737 308 T HA 0.025 4.363 4.350 -0.019 0.000 0.265 308 T C 1.281 175.800 174.700 -0.301 0.000 1.038 308 T CA 1.450 63.346 62.100 -0.340 0.000 1.144 308 T CB -0.419 67.991 68.868 -0.764 0.000 0.866 308 T HN 0.456 nan 8.240 nan 0.000 0.434 309 F N 1.564 121.558 119.950 0.074 0.000 2.367 309 F HA 0.060 4.575 4.527 -0.020 0.000 0.298 309 F C 2.181 178.062 175.800 0.135 0.000 1.094 309 F CA 0.330 58.433 58.000 0.171 0.000 1.409 309 F CB -0.451 38.734 39.000 0.308 0.000 1.064 309 F HN 0.063 nan 8.300 nan 0.000 0.528 310 D N 0.115 120.650 120.400 0.224 0.000 2.117 310 D HA -0.155 4.474 4.640 -0.019 0.000 0.197 310 D C 2.278 178.637 176.300 0.099 0.000 0.987 310 D CA 0.975 55.057 54.000 0.137 0.000 0.829 310 D CB -0.470 40.373 40.800 0.072 0.000 0.961 310 D HN 0.191 nan 8.370 nan 0.000 0.460 311 L N 0.076 121.327 121.223 0.047 0.000 2.023 311 L HA -0.028 4.300 4.340 -0.019 0.000 0.205 311 L C 1.995 178.883 176.870 0.030 0.000 1.073 311 L CA 1.499 56.346 54.840 0.012 0.000 0.745 311 L CB -0.331 41.701 42.059 -0.047 0.000 0.900 311 L HN -0.004 nan 8.230 nan 0.000 0.435 312 L N -2.316 118.925 121.223 0.030 0.000 2.307 312 L HA 0.050 4.378 4.340 -0.019 0.000 0.211 312 L C 0.705 177.677 176.870 0.171 0.000 1.099 312 L CA 0.438 55.294 54.840 0.027 0.000 0.816 312 L CB 0.082 42.093 42.059 -0.080 0.000 0.952 312 L HN 0.181 nan 8.230 nan 0.000 0.455 313 F N 1.018 121.051 119.950 0.139 0.000 2.577 313 F HA 0.235 4.750 4.527 -0.020 0.000 0.359 313 F C -1.830 174.057 175.800 0.145 0.000 1.535 313 F CA -1.352 56.755 58.000 0.177 0.000 1.093 313 F CB 1.261 40.437 39.000 0.294 0.000 1.613 313 F HN -0.143 nan 8.300 nan 0.000 0.558 314 P HA -0.140 nan 4.420 nan 0.000 0.226 314 P C 0.779 178.141 177.300 0.103 0.000 1.153 314 P CA 1.189 64.388 63.100 0.166 0.000 0.777 314 P CB 0.287 32.064 31.700 0.128 0.000 0.794 315 E N 0.025 120.330 120.200 0.175 0.000 2.265 315 E HA -0.085 4.253 4.350 -0.019 0.000 0.196 315 E C 2.044 178.577 176.600 -0.111 0.000 0.996 315 E CA 0.612 57.066 56.400 0.091 0.000 0.832 315 E CB -0.944 28.904 29.700 0.247 0.000 0.756 315 E HN 0.277 nan 8.360 nan 0.000 0.491 316 L N -0.590 120.430 121.223 -0.339 0.000 2.191 316 L HA -0.051 4.278 4.340 -0.019 0.000 0.212 316 L C 1.349 178.072 176.870 -0.244 0.000 1.103 316 L CA 0.729 55.299 54.840 -0.450 0.000 0.769 316 L CB -0.610 41.065 42.059 -0.640 0.000 0.908 316 L HN 0.390 nan 8.230 nan 0.000 0.438 317 G N 0.910 109.624 108.800 -0.143 0.000 2.273 317 G HA2 -0.284 3.665 3.960 -0.019 0.000 0.280 317 G HA3 -0.284 3.665 3.960 -0.019 0.000 0.280 317 G C 0.143 174.975 174.900 -0.113 0.000 1.047 317 G CA -0.082 44.964 45.100 -0.089 0.000 0.869 317 G HN 0.250 nan 8.290 nan 0.000 0.502 318 L N -0.553 120.579 121.223 -0.151 0.000 2.417 318 L HA 0.574 4.902 4.340 -0.019 0.000 0.268 318 L C 1.187 178.051 176.870 -0.010 0.000 1.158 318 L CA -0.651 54.078 54.840 -0.185 0.000 0.819 318 L CB 1.025 42.850 42.059 -0.390 0.000 1.112 318 L HN 0.265 nan 8.230 nan 0.000 0.458 319 V N -0.683 119.237 119.914 0.009 0.000 3.103 319 V HA 0.357 4.466 4.120 -0.019 0.000 0.318 319 V C 0.843 177.049 176.094 0.187 0.000 1.114 319 V CA -0.734 61.615 62.300 0.080 0.000 1.020 319 V CB 1.657 33.500 31.823 0.033 0.000 1.085 319 V HN 0.804 nan 8.190 nan 0.000 0.446 320 E N 0.262 120.553 120.200 0.152 0.000 2.097 320 E HA -0.252 4.087 4.350 -0.019 0.000 0.196 320 E C 1.660 178.380 176.600 0.201 0.000 1.000 320 E CA 2.194 58.697 56.400 0.171 0.000 0.804 320 E CB 0.029 29.772 29.700 0.073 0.000 0.740 320 E HN 0.896 nan 8.360 nan 0.000 0.454 321 E N 0.647 120.919 120.200 0.119 0.000 2.409 321 E HA -0.121 4.217 4.350 -0.019 0.000 0.198 321 E C 1.203 177.855 176.600 0.086 0.000 1.024 321 E CA 0.614 57.067 56.400 0.089 0.000 0.861 321 E CB 0.016 29.746 29.700 0.051 0.000 0.788 321 E HN 0.219 nan 8.360 nan 0.000 0.521 322 D N -0.637 119.807 120.400 0.075 0.000 2.234 322 D HA -0.087 4.542 4.640 -0.019 0.000 0.205 322 D C -0.189 176.104 176.300 -0.011 0.000 0.962 322 D CA 0.625 54.604 54.000 -0.034 0.000 0.855 322 D CB 0.040 40.691 40.800 -0.249 0.000 0.951 322 D HN 0.267 nan 8.370 nan 0.000 0.500 323 Y N 0.691 121.052 120.300 0.101 0.000 2.365 323 Y HA 0.315 4.853 4.550 -0.021 0.000 0.340 323 Y C 0.416 176.364 175.900 0.080 0.000 1.016 323 Y CA -0.349 57.847 58.100 0.161 0.000 1.196 323 Y CB 0.690 39.247 38.460 0.162 0.000 1.167 323 Y HN -0.301 nan 8.280 nan 0.000 0.509 324 L N 4.291 125.606 121.223 0.154 0.000 2.333 324 L HA 0.452 4.780 4.340 -0.019 0.000 0.280 324 L C -0.385 176.480 176.870 -0.008 0.000 1.004 324 L CA -0.782 54.062 54.840 0.007 0.000 0.820 324 L CB 1.756 43.706 42.059 -0.182 0.000 1.247 324 L HN 0.559 nan 8.230 nan 0.000 0.416 325 E N 5.377 125.571 120.200 -0.010 0.000 2.227 325 E HA 0.616 4.955 4.350 -0.019 0.000 0.282 325 E C -0.535 176.026 176.600 -0.065 0.000 1.015 325 E CA -0.302 56.080 56.400 -0.030 0.000 0.823 325 E CB 1.710 31.402 29.700 -0.013 0.000 1.081 325 E HN 0.514 nan 8.360 nan 0.000 0.396 326 M N -0.799 118.756 119.600 -0.075 0.000 2.880 326 M HA 0.411 4.880 4.480 -0.019 0.000 0.269 326 M C -0.575 175.695 176.300 -0.051 0.000 1.248 326 M CA -1.107 54.151 55.300 -0.070 0.000 0.821 326 M CB 1.483 34.024 32.600 -0.099 0.000 1.650 326 M HN 0.349 nan 8.290 nan 0.000 0.479 327 S N 0.067 115.747 115.700 -0.033 0.000 2.589 327 S HA 0.118 4.576 4.470 -0.019 0.000 0.265 327 S C 0.350 174.970 174.600 0.034 0.000 1.342 327 S CA 0.000 58.201 58.200 0.001 0.000 1.005 327 S CB 0.575 63.779 63.200 0.006 0.000 0.909 327 S HN 0.978 nan 8.310 nan 0.000 0.555 328 W N 2.477 123.722 121.300 -0.093 0.000 2.335 328 W HA 0.009 4.649 4.660 -0.034 0.000 0.311 328 W C 2.115 178.560 176.519 -0.124 0.000 1.213 328 W CA 1.912 59.198 57.345 -0.098 0.000 1.274 328 W CB -1.063 28.292 29.460 -0.175 0.000 1.148 328 W HN 0.851 nan 8.180 nan 0.000 0.498 329 G N 0.058 108.671 108.800 -0.311 0.000 2.418 329 G HA2 -0.300 3.649 3.960 -0.019 0.000 0.217 329 G HA3 -0.300 3.649 3.960 -0.019 0.000 0.217 329 G C 1.307 176.014 174.900 -0.323 0.000 1.158 329 G CA 1.174 45.946 45.100 -0.547 0.000 0.771 329 G HN 0.442 nan 8.290 nan 0.000 0.545 330 E N 0.628 120.741 120.200 -0.145 0.000 2.085 330 E HA -0.163 4.175 4.350 -0.019 0.000 0.194 330 E C 2.916 179.508 176.600 -0.014 0.000 0.994 330 E CA 1.405 57.771 56.400 -0.056 0.000 0.801 330 E CB -0.126 29.552 29.700 -0.037 0.000 0.743 330 E HN 0.588 nan 8.360 nan 0.000 0.453 331 S N 0.260 115.944 115.700 -0.026 0.000 2.382 331 S HA -0.147 4.311 4.470 -0.019 0.000 0.228 331 S C 1.838 176.571 174.600 0.221 0.000 1.027 331 S CA 0.716 59.002 58.200 0.144 0.000 0.991 331 S CB -0.349 63.004 63.200 0.254 0.000 0.823 331 S HN 0.112 nan 8.310 nan 0.000 0.469 332 F N 2.449 122.186 119.950 -0.355 0.000 2.206 332 F HA 0.347 4.867 4.527 -0.013 0.000 0.298 332 F C 2.821 178.458 175.800 -0.272 0.000 1.090 332 F CA -0.225 57.526 58.000 -0.415 0.000 1.323 332 F CB -1.220 37.263 39.000 -0.862 0.000 1.028 332 F HN 0.336 nan 8.300 nan 0.000 0.492 333 A N -1.008 121.795 122.820 -0.028 0.000 1.873 333 A HA -0.252 4.057 4.320 -0.019 0.000 0.215 333 A C 2.134 179.719 177.584 0.002 0.000 1.186 333 A CA 1.494 53.514 52.037 -0.028 0.000 0.616 333 A CB -1.470 17.536 19.000 0.010 0.000 0.823 333 A HN 0.434 nan 8.150 nan 0.000 0.442 334 Y N 0.477 120.750 120.300 -0.045 0.000 2.145 334 Y HA -0.133 4.406 4.550 -0.019 0.000 0.286 334 Y C 1.945 177.847 175.900 0.002 0.000 1.145 334 Y CA 1.843 59.936 58.100 -0.012 0.000 1.148 334 Y CB -0.298 38.171 38.460 0.015 0.000 0.981 334 Y HN 0.201 nan 8.280 nan 0.000 0.507 335 L N -0.319 120.937 121.223 0.055 0.000 2.191 335 L HA -0.180 4.148 4.340 -0.019 0.000 0.212 335 L C 2.429 179.305 176.870 0.011 0.000 1.103 335 L CA 1.095 55.970 54.840 0.058 0.000 0.769 335 L CB -0.672 41.490 42.059 0.171 0.000 0.908 335 L HN 0.347 nan 8.230 nan 0.000 0.438 336 A N -0.686 121.916 122.820 -0.362 0.000 2.251 336 A HA 0.310 4.618 4.320 -0.019 0.000 0.209 336 A C 1.715 179.144 177.584 -0.258 0.000 1.187 336 A CA 0.655 52.246 52.037 -0.743 0.000 0.823 336 A CB -0.353 18.083 19.000 -0.940 0.000 0.846 336 A HN 0.495 nan 8.150 nan 0.000 0.486 337 G N -0.934 107.755 108.800 -0.185 0.000 2.143 337 G HA2 -0.219 3.729 3.960 -0.019 0.000 0.248 337 G HA3 -0.219 3.729 3.960 -0.019 0.000 0.248 337 G C 0.152 174.991 174.900 -0.102 0.000 0.991 337 G CA 0.342 45.346 45.100 -0.159 0.000 0.689 337 G HN 0.433 nan 8.290 nan 0.000 0.522 338 L N -0.133 121.051 121.223 -0.065 0.000 2.464 338 L HA 0.289 4.617 4.340 -0.019 0.000 0.264 338 L C 1.748 178.614 176.870 -0.005 0.000 1.199 338 L CA -0.640 54.189 54.840 -0.020 0.000 0.818 338 L CB 0.328 42.380 42.059 -0.012 0.000 1.102 338 L HN 0.011 nan 8.230 nan 0.000 0.473 339 E N 0.408 120.610 120.200 0.003 0.000 2.112 339 E HA -0.024 4.315 4.350 -0.019 0.000 0.190 339 E C 0.557 177.178 176.600 0.036 0.000 0.979 339 E CA 0.993 57.403 56.400 0.016 0.000 0.814 339 E CB 0.141 29.845 29.700 0.006 0.000 0.762 339 E HN 0.828 nan 8.360 nan 0.000 0.460 340 T N -3.851 110.724 114.554 0.034 0.000 2.843 340 T HA 0.341 4.679 4.350 -0.019 0.000 0.302 340 T C 1.071 175.802 174.700 0.052 0.000 1.232 340 T CA -0.611 61.516 62.100 0.045 0.000 1.009 340 T CB 1.508 70.401 68.868 0.041 0.000 1.254 340 T HN -0.245 nan 8.240 nan 0.000 0.504 341 V N 1.407 121.363 119.914 0.069 0.000 2.392 341 V HA -0.171 3.937 4.120 -0.019 0.000 0.249 341 V C 2.894 179.096 176.094 0.180 0.000 1.059 341 V CA 2.567 64.931 62.300 0.108 0.000 1.051 341 V CB -1.094 30.788 31.823 0.099 0.000 0.658 341 V HN 1.026 nan 8.190 nan 0.000 0.455 342 S N -0.826 114.964 115.700 0.150 0.000 2.387 342 S HA -0.297 4.161 4.470 -0.019 0.000 0.230 342 S C 1.957 176.516 174.600 -0.068 0.000 1.035 342 S CA 1.556 59.798 58.200 0.070 0.000 1.014 342 S CB -0.331 62.898 63.200 0.048 0.000 0.836 342 S HN 0.671 nan 8.310 nan 0.000 0.466 343 Q N 0.277 120.065 119.800 -0.019 0.000 2.291 343 Q HA -0.027 4.302 4.340 -0.019 0.000 0.206 343 Q C 2.019 177.983 176.000 -0.060 0.000 0.976 343 Q CA 0.742 56.522 55.803 -0.039 0.000 0.875 343 Q CB -0.375 28.358 28.738 -0.009 0.000 0.927 343 Q HN 0.525 nan 8.270 nan 0.000 0.450 344 L N 0.534 121.740 121.223 -0.027 0.000 2.127 344 L HA -0.203 4.125 4.340 -0.019 0.000 0.211 344 L C 1.780 178.588 176.870 -0.104 0.000 1.089 344 L CA 0.785 55.615 54.840 -0.016 0.000 0.757 344 L CB -0.310 41.819 42.059 0.117 0.000 0.899 344 L HN 0.208 nan 8.230 nan 0.000 0.434 345 N N -0.036 118.507 118.700 -0.261 0.000 2.383 345 N HA -0.071 4.658 4.740 -0.019 0.000 0.192 345 N C 0.165 175.514 175.510 -0.268 0.000 1.141 345 N CA 0.112 52.925 53.050 -0.395 0.000 0.851 345 N CB -0.128 37.771 38.487 -0.980 0.000 0.976 345 N HN 0.100 nan 8.380 nan 0.000 0.465 346 N N 0.650 119.237 118.700 -0.188 0.000 2.609 346 N HA 0.089 4.817 4.740 -0.019 0.000 0.234 346 N C 0.881 176.299 175.510 -0.153 0.000 1.001 346 N CA -0.371 52.597 53.050 -0.137 0.000 0.926 346 N CB 0.390 38.835 38.487 -0.069 0.000 1.130 346 N HN 0.219 nan 8.380 nan 0.000 0.510 347 R N 1.804 122.133 120.500 -0.284 0.000 2.237 347 R HA -0.002 4.327 4.340 -0.019 0.000 0.219 347 R C -0.059 176.005 176.300 -0.394 0.000 1.080 347 R CA 1.176 57.032 56.100 -0.407 0.000 0.995 347 R CB -0.248 29.681 30.300 -0.618 0.000 0.875 347 R HN 0.244 nan 8.270 nan 0.000 0.462 348 F N 0.787 120.738 119.950 0.001 0.000 2.641 348 F HA 0.286 4.803 4.527 -0.017 0.000 0.302 348 F C 0.291 176.101 175.800 0.016 0.000 1.098 348 F CA -1.363 56.643 58.000 0.011 0.000 1.318 348 F CB 0.106 39.109 39.000 0.006 0.000 1.035 348 F HN -0.057 nan 8.300 nan 0.000 0.551 349 L N 2.330 123.632 121.223 0.130 0.000 2.418 349 L HA 0.146 4.475 4.340 -0.019 0.000 0.274 349 L C 0.370 177.320 176.870 0.133 0.000 1.135 349 L CA -0.271 54.631 54.840 0.103 0.000 0.870 349 L CB 0.108 42.202 42.059 0.059 0.000 1.154 349 L HN 0.061 nan 8.230 nan 0.000 0.462 350 K N 6.180 126.647 120.400 0.111 0.000 2.307 350 K HA -0.034 4.275 4.320 -0.019 0.000 0.285 350 K C 0.573 177.250 176.600 0.128 0.000 1.073 350 K CA 0.279 56.633 56.287 0.111 0.000 0.996 350 K CB 0.057 32.590 32.500 0.055 0.000 0.994 350 K HN 0.637 nan 8.250 nan 0.000 0.452 351 F N 2.050 122.013 119.950 0.022 0.000 2.149 351 F HA -0.071 4.444 4.527 -0.019 0.000 0.294 351 F C 0.473 176.270 175.800 -0.004 0.000 1.095 351 F CA 0.980 58.979 58.000 -0.002 0.000 1.276 351 F CB 0.625 39.636 39.000 0.019 0.000 1.023 351 F HN 0.477 nan 8.300 nan 0.000 0.480 352 D N 0.141 120.571 120.400 0.050 0.000 2.452 352 D HA 0.074 4.702 4.640 -0.019 0.000 0.226 352 D C -0.741 175.576 176.300 0.029 0.000 1.366 352 D CA -0.150 53.816 54.000 -0.057 0.000 0.986 352 D CB 0.837 41.593 40.800 -0.075 0.000 1.420 352 D HN 0.231 nan 8.370 nan 0.000 0.583 353 E N 2.116 122.313 120.200 -0.005 0.000 2.359 353 E HA 0.096 4.435 4.350 -0.019 0.000 0.187 353 E C 0.003 176.596 176.600 -0.011 0.000 1.081 353 E CA 0.033 56.440 56.400 0.011 0.000 0.929 353 E CB 0.576 30.274 29.700 -0.003 0.000 1.086 353 E HN 0.155 nan 8.360 nan 0.000 0.462 354 R N 0.386 120.877 120.500 -0.016 0.000 2.428 354 R HA 0.414 4.742 4.340 -0.019 0.000 0.294 354 R C -0.135 176.094 176.300 -0.119 0.000 1.000 354 R CA -0.371 55.672 56.100 -0.095 0.000 0.960 354 R CB 1.319 31.564 30.300 -0.092 0.000 1.076 354 R HN -0.000 nan 8.270 nan 0.000 0.475 355 A N 3.132 125.680 122.820 -0.453 0.000 2.483 355 A HA 0.409 4.718 4.320 -0.019 0.000 0.238 355 A C -0.406 176.671 177.584 -0.845 0.000 1.070 355 A CA 0.218 51.821 52.037 -0.724 0.000 0.770 355 A CB -0.219 18.118 19.000 -1.104 0.000 1.008 355 A HN 0.671 nan 8.150 nan 0.000 0.497 356 F N -0.732 118.819 119.950 -0.664 0.000 2.668 356 F HA 0.803 5.319 4.527 -0.019 0.000 0.309 356 F C -0.874 174.854 175.800 -0.121 0.000 1.117 356 F CA -1.128 56.638 58.000 -0.390 0.000 0.951 356 F CB 1.589 40.484 39.000 -0.176 0.000 1.323 356 F HN 0.578 nan 8.300 nan 0.000 0.451 357 K N 0.743 121.254 120.400 0.186 0.000 2.426 357 K HA 0.721 5.030 4.320 -0.019 0.000 0.251 357 K C -1.555 175.177 176.600 0.219 0.000 0.941 357 K CA -0.496 55.875 56.287 0.140 0.000 0.808 357 K CB 2.415 35.038 32.500 0.205 0.000 1.265 357 K HN 1.009 nan 8.250 nan 0.000 0.432 358 T N 1.648 116.287 114.554 0.141 0.000 2.900 358 T HA 0.547 4.885 4.350 -0.019 0.000 0.303 358 T C -1.690 173.147 174.700 0.228 0.000 1.142 358 T CA -0.711 61.482 62.100 0.155 0.000 1.007 358 T CB 1.069 69.942 68.868 0.009 0.000 1.156 358 T HN 0.575 nan 8.240 nan 0.000 0.490 359 K N 1.387 121.951 120.400 0.274 0.000 2.480 359 K HA 0.820 5.129 4.320 -0.019 0.000 0.258 359 K C -1.676 175.004 176.600 0.134 0.000 0.990 359 K CA -0.976 55.431 56.287 0.201 0.000 0.857 359 K CB 2.665 35.160 32.500 -0.008 0.000 1.384 359 K HN 0.396 nan 8.250 nan 0.000 0.446 360 V N 0.858 120.769 119.914 -0.004 0.000 3.007 360 V HA 0.466 4.574 4.120 -0.019 0.000 0.311 360 V C -1.748 174.408 176.094 0.103 0.000 1.120 360 V CA -0.525 61.653 62.300 -0.205 0.000 0.980 360 V CB 2.214 33.628 31.823 -0.682 0.000 1.033 360 V HN 0.720 nan 8.190 nan 0.000 0.429 361 D N 3.710 124.105 120.400 -0.008 0.000 2.527 361 D HA 0.541 5.170 4.640 -0.019 0.000 0.233 361 D C -1.323 174.892 176.300 -0.142 0.000 1.063 361 D CA -0.276 53.732 54.000 0.012 0.000 0.880 361 D CB 2.280 43.128 40.800 0.081 0.000 1.457 361 D HN 0.266 nan 8.370 nan 0.000 0.475 362 L N 1.175 122.284 121.223 -0.191 0.000 2.334 362 L HA 0.511 4.839 4.340 -0.019 0.000 0.273 362 L C 0.757 177.482 176.870 -0.241 0.000 1.013 362 L CA -0.555 54.099 54.840 -0.311 0.000 0.816 362 L CB 1.385 43.171 42.059 -0.455 0.000 1.278 362 L HN 0.507 nan 8.230 nan 0.000 0.431 363 T N -1.488 112.917 114.554 -0.249 0.000 2.932 363 T HA 0.612 4.950 4.350 -0.019 0.000 0.289 363 T C 0.344 174.954 174.700 -0.150 0.000 1.039 363 T CA -0.662 61.337 62.100 -0.169 0.000 1.024 363 T CB 2.662 71.446 68.868 -0.141 0.000 1.090 363 T HN 0.628 nan 8.240 nan 0.000 0.496 364 K N -0.161 120.180 120.400 -0.098 0.000 2.474 364 K HA 0.252 4.561 4.320 -0.019 0.000 0.204 364 K C 0.150 176.726 176.600 -0.041 0.000 1.220 364 K CA -0.004 56.245 56.287 -0.063 0.000 0.966 364 K CB 0.899 33.372 32.500 -0.045 0.000 1.049 364 K HN 0.647 nan 8.250 nan 0.000 0.554 365 E N 1.531 121.707 120.200 -0.041 0.000 2.227 365 E HA 0.287 4.626 4.350 -0.019 0.000 0.268 365 E C -2.745 173.836 176.600 -0.032 0.000 0.907 365 E CA -2.450 53.941 56.400 -0.015 0.000 0.786 365 E CB 1.659 31.360 29.700 0.002 0.000 1.191 365 E HN -0.172 nan 8.360 nan 0.000 0.411 366 P HA -0.043 nan 4.420 nan 0.000 0.265 366 P C -0.749 176.521 177.300 -0.051 0.000 1.187 366 P CA 0.309 63.370 63.100 -0.065 0.000 0.766 366 P CB 0.406 32.164 31.700 0.096 0.000 0.820 367 L N 5.233 126.377 121.223 -0.131 0.000 2.367 367 L HA 0.293 4.622 4.340 -0.019 0.000 0.275 367 L C -1.667 175.168 176.870 -0.058 0.000 1.129 367 L CA -1.917 52.798 54.840 -0.208 0.000 0.839 367 L CB 0.322 42.074 42.059 -0.512 0.000 1.133 367 L HN 0.255 nan 8.230 nan 0.000 0.453 368 P HA 0.021 nan 4.420 nan 0.000 0.274 368 P C 0.468 177.772 177.300 0.007 0.000 1.237 368 P CA -0.373 62.731 63.100 0.006 0.000 0.793 368 P CB 1.282 32.935 31.700 -0.078 0.000 0.977 369 S N 1.936 117.645 115.700 0.016 0.000 2.374 369 S HA -0.211 4.247 4.470 -0.019 0.000 0.227 369 S C 1.657 176.305 174.600 0.081 0.000 1.037 369 S CA 2.007 60.222 58.200 0.026 0.000 1.024 369 S CB -0.842 62.217 63.200 -0.235 0.000 0.861 369 S HN 0.636 nan 8.310 nan 0.000 0.456 370 K N 0.641 121.025 120.400 -0.026 0.000 2.280 370 K HA 0.069 4.378 4.320 -0.019 0.000 0.202 370 K C 2.103 178.714 176.600 0.018 0.000 1.047 370 K CA 1.210 57.511 56.287 0.025 0.000 0.942 370 K CB -0.505 32.001 32.500 0.009 0.000 0.739 370 K HN 0.361 nan 8.250 nan 0.000 0.457 371 A N 1.319 123.926 122.820 -0.356 0.000 1.873 371 A HA -0.038 4.270 4.320 -0.019 0.000 0.215 371 A C 1.804 179.333 177.584 -0.092 0.000 1.186 371 A CA 0.978 52.671 52.037 -0.573 0.000 0.616 371 A CB -0.678 17.519 19.000 -1.339 0.000 0.823 371 A HN 0.309 nan 8.150 nan 0.000 0.442 372 F N -1.789 118.188 119.950 0.044 0.000 2.186 372 F HA -0.097 4.418 4.527 -0.019 0.000 0.299 372 F C 2.175 178.044 175.800 0.115 0.000 1.090 372 F CA 1.104 59.164 58.000 0.100 0.000 1.307 372 F CB -1.012 38.058 39.000 0.116 0.000 1.019 372 F HN 0.395 nan 8.300 nan 0.000 0.489 373 Y N 0.580 121.001 120.300 0.201 0.000 2.128 373 Y HA -0.158 4.380 4.550 -0.019 0.000 0.284 373 Y C 2.571 178.503 175.900 0.052 0.000 1.154 373 Y CA 1.750 59.916 58.100 0.110 0.000 1.149 373 Y CB -0.830 37.676 38.460 0.076 0.000 0.976 373 Y HN 0.016 nan 8.280 nan 0.000 0.505 374 G N -0.399 108.537 108.800 0.227 0.000 2.422 374 G HA2 -0.248 3.701 3.960 -0.019 0.000 0.218 374 G HA3 -0.248 3.701 3.960 -0.019 0.000 0.218 374 G C 1.526 176.240 174.900 -0.310 0.000 1.140 374 G CA 0.897 45.917 45.100 -0.133 0.000 0.775 374 G HN 0.400 nan 8.290 nan 0.000 0.545 375 L N 0.510 121.729 121.223 -0.007 0.000 2.017 375 L HA 0.117 4.446 4.340 -0.019 0.000 0.208 375 L C 2.709 179.594 176.870 0.025 0.000 1.073 375 L CA 1.345 56.216 54.840 0.051 0.000 0.745 375 L CB -0.514 41.681 42.059 0.227 0.000 0.894 375 L HN 0.199 nan 8.230 nan 0.000 0.432 376 L N -0.953 120.271 121.223 0.001 0.000 2.093 376 L HA -0.197 4.132 4.340 -0.019 0.000 0.208 376 L C 2.467 179.274 176.870 -0.106 0.000 1.085 376 L CA 1.220 56.020 54.840 -0.066 0.000 0.755 376 L CB -0.553 41.430 42.059 -0.126 0.000 0.904 376 L HN 0.341 nan 8.230 nan 0.000 0.435 377 E N 0.022 120.121 120.200 -0.168 0.000 2.077 377 E HA -0.224 4.115 4.350 -0.019 0.000 0.193 377 E C 2.360 178.944 176.600 -0.026 0.000 0.989 377 E CA 1.106 57.426 56.400 -0.134 0.000 0.800 377 E CB -0.015 29.601 29.700 -0.140 0.000 0.746 377 E HN 0.417 nan 8.360 nan 0.000 0.452 378 R N 0.357 120.849 120.500 -0.014 0.000 2.075 378 R HA -0.072 4.257 4.340 -0.019 0.000 0.232 378 R C 2.469 179.040 176.300 0.453 0.000 1.126 378 R CA 0.814 57.014 56.100 0.166 0.000 0.963 378 R CB -0.259 30.014 30.300 -0.046 0.000 0.858 378 R HN 0.146 nan 8.270 nan 0.000 0.435 379 L N 0.680 122.100 121.223 0.328 0.000 2.083 379 L HA -0.198 4.130 4.340 -0.019 0.000 0.209 379 L C 2.568 179.487 176.870 0.082 0.000 1.083 379 L CA 1.585 56.578 54.840 0.254 0.000 0.752 379 L CB -0.538 41.596 42.059 0.125 0.000 0.899 379 L HN 0.306 nan 8.230 nan 0.000 0.433 380 S N -0.600 115.128 115.700 0.047 0.000 2.447 380 S HA -0.167 4.291 4.470 -0.019 0.000 0.233 380 S C 1.784 176.399 174.600 0.025 0.000 1.006 380 S CA 0.846 59.055 58.200 0.014 0.000 0.957 380 S CB -0.215 62.974 63.200 -0.017 0.000 0.773 380 S HN 0.420 nan 8.310 nan 0.000 0.507 381 K N 0.236 120.671 120.400 0.058 0.000 2.393 381 K HA 0.234 4.543 4.320 -0.019 0.000 0.193 381 K C 0.164 176.751 176.600 -0.022 0.000 1.026 381 K CA 0.394 56.712 56.287 0.051 0.000 1.064 381 K CB 0.292 32.860 32.500 0.114 0.000 0.833 381 K HN 0.272 nan 8.250 nan 0.000 0.521 382 E N 0.447 120.566 120.200 -0.136 0.000 2.761 382 E HA 0.167 4.506 4.350 -0.019 0.000 0.266 382 E C -2.501 173.915 176.600 -0.306 0.000 1.097 382 E CA -2.375 53.794 56.400 -0.385 0.000 0.773 382 E CB 1.094 30.060 29.700 -1.223 0.000 1.453 382 E HN -0.192 nan 8.360 nan 0.000 0.388 383 P HA -0.015 nan 4.420 nan 0.000 0.225 383 P C 0.202 177.497 177.300 -0.008 0.000 1.148 383 P CA 0.740 63.837 63.100 -0.006 0.000 0.779 383 P CB 0.322 32.043 31.700 0.035 0.000 0.780 384 N N -1.056 117.576 118.700 -0.114 0.000 2.467 384 N HA 0.051 4.779 4.740 -0.019 0.000 0.184 384 N C 1.026 176.453 175.510 -0.139 0.000 1.106 384 N CA 0.359 53.323 53.050 -0.143 0.000 0.892 384 N CB -0.274 37.985 38.487 -0.380 0.000 0.969 384 N HN 0.086 nan 8.380 nan 0.000 0.454 385 G N -0.203 108.418 108.800 -0.299 0.000 2.425 385 G HA2 0.534 4.483 3.960 -0.019 0.000 0.302 385 G HA3 0.534 4.483 3.960 -0.019 0.000 0.302 385 G C -0.689 174.324 174.900 0.189 0.000 1.159 385 G CA -0.463 44.479 45.100 -0.264 0.000 0.865 385 G HN 0.182 nan 8.290 nan 0.000 0.515 386 F N -0.120 119.918 119.950 0.147 0.000 2.686 386 F HA 0.772 5.288 4.527 -0.019 0.000 0.311 386 F C -0.759 175.122 175.800 0.135 0.000 1.128 386 F CA -1.765 56.305 58.000 0.116 0.000 0.946 386 F CB 1.424 40.535 39.000 0.185 0.000 1.336 386 F HN 0.616 nan 8.300 nan 0.000 0.457 387 I N 0.364 121.045 120.570 0.186 0.000 2.740 387 I HA 0.978 5.137 4.170 -0.019 0.000 0.303 387 I C -1.185 174.973 176.117 0.069 0.000 1.044 387 I CA -1.341 59.989 61.300 0.050 0.000 1.064 387 I CB 2.084 40.105 38.000 0.035 0.000 1.249 387 I HN 0.978 nan 8.210 nan 0.000 0.433 388 A N 6.249 129.053 122.820 -0.027 0.000 2.343 388 A HA 0.826 5.135 4.320 -0.019 0.000 0.308 388 A C -1.004 176.513 177.584 -0.112 0.000 1.092 388 A CA -0.571 51.435 52.037 -0.051 0.000 0.751 388 A CB 1.169 20.166 19.000 -0.006 0.000 1.203 388 A HN 0.734 nan 8.150 nan 0.000 0.452 389 L N 3.052 124.173 121.223 -0.170 0.000 2.333 389 L HA 0.540 4.869 4.340 -0.019 0.000 0.280 389 L C -0.513 176.415 176.870 0.097 0.000 1.004 389 L CA -0.683 54.062 54.840 -0.157 0.000 0.820 389 L CB 1.824 43.504 42.059 -0.632 0.000 1.247 389 L HN 0.656 nan 8.230 nan 0.000 0.416 390 N N 1.447 120.345 118.700 0.330 0.000 2.249 390 N HA 0.457 5.186 4.740 -0.019 0.000 0.296 390 N C -0.584 175.210 175.510 0.473 0.000 1.051 390 N CA -0.392 52.942 53.050 0.473 0.000 0.815 390 N CB 2.929 41.630 38.487 0.357 0.000 1.487 390 N HN 0.738 nan 8.380 nan 0.000 0.475 391 G N 0.979 110.053 108.800 0.455 0.000 2.400 391 G HA2 0.498 4.446 3.960 -0.019 0.000 0.301 391 G HA3 0.498 4.446 3.960 -0.019 0.000 0.301 391 G C -0.244 174.971 174.900 0.524 0.000 1.154 391 G CA -0.085 45.159 45.100 0.239 0.000 0.852 391 G HN 0.280 nan 8.290 nan 0.000 0.511 392 F N 0.857 120.857 119.950 0.084 0.000 2.465 392 F HA 0.733 5.250 4.527 -0.018 0.000 0.200 392 F C 1.572 177.426 175.800 0.090 0.000 0.882 392 F CA -0.044 58.039 58.000 0.139 0.000 1.036 392 F CB -0.501 38.563 39.000 0.107 0.000 2.209 392 F HN 0.946 nan 8.300 nan 0.000 0.669 393 G N -0.512 108.461 108.800 0.290 0.000 2.693 393 G HA2 0.346 4.294 3.960 -0.019 0.000 0.226 393 G HA3 0.346 4.294 3.960 -0.019 0.000 0.226 393 G C 0.430 175.383 174.900 0.087 0.000 1.354 393 G CA -0.047 45.138 45.100 0.143 0.000 0.873 393 G HN 1.795 nan 8.290 nan 0.000 0.562 394 G N -1.846 106.983 108.800 0.047 0.000 2.596 394 G HA2 -0.174 3.774 3.960 -0.019 0.000 0.295 394 G HA3 -0.174 3.774 3.960 -0.019 0.000 0.295 394 G C 1.162 176.049 174.900 -0.021 0.000 1.240 394 G CA 1.443 46.546 45.100 0.005 0.000 0.985 394 G HN 1.536 nan 8.290 nan 0.000 0.555 395 Q N -0.395 119.364 119.800 -0.068 0.000 2.364 395 Q HA 0.081 4.410 4.340 -0.019 0.000 0.207 395 Q C 2.914 178.881 176.000 -0.056 0.000 0.970 395 Q CA 1.202 56.954 55.803 -0.084 0.000 0.888 395 Q CB -0.199 28.458 28.738 -0.135 0.000 0.951 395 Q HN 0.611 nan 8.270 nan 0.000 0.469 396 M N -0.461 119.113 119.600 -0.043 0.000 2.358 396 M HA -0.062 4.406 4.480 -0.019 0.000 0.264 396 M C 1.681 178.025 176.300 0.074 0.000 1.064 396 M CA 1.023 56.315 55.300 -0.013 0.000 1.093 396 M CB -0.512 32.032 32.600 -0.093 0.000 1.401 396 M HN -0.041 nan 8.290 nan 0.000 0.440 397 S N -0.181 115.560 115.700 0.069 0.000 2.528 397 S HA 0.055 4.513 4.470 -0.019 0.000 0.219 397 S C 1.628 176.255 174.600 0.045 0.000 0.985 397 S CA 0.452 58.700 58.200 0.080 0.000 0.914 397 S CB 0.203 63.447 63.200 0.074 0.000 0.776 397 S HN 0.472 nan 8.310 nan 0.000 0.526 398 K N 0.468 120.874 120.400 0.011 0.000 2.354 398 K HA 0.287 4.595 4.320 -0.019 0.000 0.194 398 K C -0.043 176.536 176.600 -0.035 0.000 1.038 398 K CA 0.202 56.480 56.287 -0.015 0.000 1.052 398 K CB 0.400 32.876 32.500 -0.040 0.000 0.861 398 K HN 0.292 nan 8.250 nan 0.000 0.535 399 I N 1.530 122.083 120.570 -0.029 0.000 2.395 399 I HA 0.001 4.159 4.170 -0.019 0.000 0.289 399 I C 0.593 176.746 176.117 0.060 0.000 1.023 399 I CA -0.347 60.923 61.300 -0.050 0.000 1.350 399 I CB 1.476 39.450 38.000 -0.044 0.000 1.409 399 I HN -0.029 nan 8.210 nan 0.000 0.507 400 S N 3.425 119.177 115.700 0.086 0.000 2.572 400 S HA -0.001 4.458 4.470 -0.019 0.000 0.279 400 S C 1.466 176.197 174.600 0.218 0.000 1.341 400 S CA -0.081 58.209 58.200 0.149 0.000 1.043 400 S CB 0.828 64.127 63.200 0.165 0.000 0.887 400 S HN 0.783 nan 8.310 nan 0.000 0.516 401 S N 1.930 117.738 115.700 0.181 0.000 2.442 401 S HA -0.139 4.319 4.470 -0.019 0.000 0.236 401 S C 0.955 175.699 174.600 0.240 0.000 1.007 401 S CA 1.270 59.580 58.200 0.183 0.000 0.965 401 S CB -0.359 62.918 63.200 0.129 0.000 0.773 401 S HN 0.890 nan 8.310 nan 0.000 0.504 402 D N -0.484 120.077 120.400 0.270 0.000 2.402 402 D HA 0.074 4.703 4.640 -0.019 0.000 0.216 402 D C 1.115 177.697 176.300 0.471 0.000 1.128 402 D CA -0.595 53.617 54.000 0.353 0.000 0.833 402 D CB -0.709 40.216 40.800 0.208 0.000 0.971 402 D HN 0.357 nan 8.370 nan 0.000 0.503 403 F N 2.903 123.017 119.950 0.273 0.000 2.095 403 F HA -0.075 4.440 4.527 -0.020 0.000 0.298 403 F C 0.852 176.869 175.800 0.360 0.000 1.104 403 F CA 1.812 59.968 58.000 0.259 0.000 1.232 403 F CB -0.291 38.802 39.000 0.154 0.000 0.987 403 F HN 0.044 nan 8.300 nan 0.000 0.475 404 T N -4.335 110.297 114.554 0.130 0.000 2.864 404 T HA 0.410 4.749 4.350 -0.019 0.000 0.289 404 T C -2.099 172.476 174.700 -0.207 0.000 1.082 404 T CA -1.672 60.256 62.100 -0.287 0.000 1.009 404 T CB 1.364 70.037 68.868 -0.326 0.000 1.234 404 T HN -0.318 nan 8.240 nan 0.000 0.526 405 P HA 0.070 nan 4.420 nan 0.000 0.220 405 P C 0.183 177.590 177.300 0.177 0.000 1.148 405 P CA 0.401 63.274 63.100 -0.378 0.000 0.803 405 P CB -0.154 31.154 31.700 -0.654 0.000 0.782 406 F N 2.582 122.572 119.950 0.067 0.000 2.533 406 F HA 0.117 4.633 4.527 -0.017 0.000 0.378 406 F C -1.504 174.320 175.800 0.040 0.000 1.070 406 F CA -1.895 56.170 58.000 0.109 0.000 1.172 406 F CB 0.634 39.691 39.000 0.095 0.000 1.085 406 F HN 0.005 nan 8.300 nan 0.000 0.552 407 P HA -0.022 nan 4.420 nan 0.000 0.264 407 P C -0.452 176.641 177.300 -0.345 0.000 1.259 407 P CA 0.445 63.355 63.100 -0.316 0.000 0.841 407 P CB 0.208 31.731 31.700 -0.295 0.000 1.232 408 H N 1.287 120.133 119.070 -0.374 0.000 2.982 408 H HA 0.286 4.830 4.556 -0.019 0.000 0.261 408 H C 1.044 176.556 175.328 0.306 0.000 1.603 408 H CA 0.020 56.020 56.048 -0.079 0.000 1.398 408 H CB 0.465 30.106 29.762 -0.201 0.000 1.693 408 H HN 0.061 nan 8.280 nan 0.000 0.535 409 R N 0.518 121.204 120.500 0.310 0.000 2.495 409 R HA 0.153 4.482 4.340 -0.019 0.000 0.109 409 R C 0.563 177.007 176.300 0.240 0.000 1.362 409 R CA -0.806 55.472 56.100 0.296 0.000 1.165 409 R CB -0.531 29.898 30.300 0.216 0.000 1.003 409 R HN 0.302 nan 8.270 nan 0.000 0.412 410 S N -0.048 115.748 115.700 0.161 0.000 2.558 410 S HA 0.241 4.700 4.470 -0.019 0.000 0.293 410 S C 1.076 175.744 174.600 0.114 0.000 1.292 410 S CA 1.414 59.687 58.200 0.122 0.000 1.063 410 S CB -0.116 63.136 63.200 0.087 0.000 0.831 410 S HN 0.684 nan 8.310 nan 0.000 0.499 411 G N 3.335 112.191 108.800 0.094 0.000 2.258 411 G HA2 -0.224 3.725 3.960 -0.019 0.000 0.233 411 G HA3 -0.224 3.725 3.960 -0.019 0.000 0.233 411 G C 0.204 175.135 174.900 0.050 0.000 1.006 411 G CA 0.216 45.355 45.100 0.065 0.000 0.620 411 G HN 0.942 nan 8.290 nan 0.000 0.511 412 T N 1.352 115.961 114.554 0.092 0.000 2.761 412 T HA 0.545 4.884 4.350 -0.019 0.000 0.296 412 T C 1.382 176.070 174.700 -0.020 0.000 0.934 412 T CA 0.109 62.219 62.100 0.016 0.000 1.091 412 T CB 1.763 70.695 68.868 0.107 0.000 0.896 412 T HN 0.392 nan 8.240 nan 0.000 0.515 413 R N 1.974 122.394 120.500 -0.133 0.000 2.072 413 R HA 0.349 4.678 4.340 -0.019 0.000 0.214 413 R C 0.228 176.403 176.300 -0.207 0.000 1.168 413 R CA 0.503 56.531 56.100 -0.121 0.000 1.020 413 R CB 0.158 30.383 30.300 -0.125 0.000 0.914 413 R HN 0.443 nan 8.270 nan 0.000 0.449 414 L N 0.285 121.320 121.223 -0.312 0.000 2.350 414 L HA 0.528 4.857 4.340 -0.019 0.000 0.260 414 L C -0.880 175.692 176.870 -0.497 0.000 1.015 414 L CA -0.891 53.776 54.840 -0.288 0.000 0.821 414 L CB 2.310 44.330 42.059 -0.065 0.000 1.370 414 L HN 0.013 nan 8.230 nan 0.000 0.416 415 M N 2.043 121.402 119.600 -0.402 0.000 2.227 415 M HA 0.628 5.097 4.480 -0.019 0.000 0.335 415 M C -1.759 174.443 176.300 -0.163 0.000 1.053 415 M CA -0.546 54.548 55.300 -0.344 0.000 0.973 415 M CB 1.755 34.146 32.600 -0.349 0.000 1.623 415 M HN 0.328 nan 8.290 nan 0.000 0.434 416 V N 4.450 124.232 119.914 -0.219 0.000 2.443 416 V HA 0.425 4.534 4.120 -0.019 0.000 0.293 416 V C -0.705 175.058 176.094 -0.553 0.000 1.021 416 V CA -0.666 61.455 62.300 -0.299 0.000 0.848 416 V CB 1.594 33.259 31.823 -0.264 0.000 0.998 416 V HN 0.857 nan 8.190 nan 0.000 0.424 417 E N 3.789 123.710 120.200 -0.465 0.000 2.179 417 E HA 0.583 4.922 4.350 -0.019 0.000 0.275 417 E C -1.817 174.491 176.600 -0.486 0.000 0.945 417 E CA -0.623 55.520 56.400 -0.428 0.000 0.792 417 E CB 1.515 31.177 29.700 -0.063 0.000 1.125 417 E HN 0.639 nan 8.360 nan 0.000 0.397 418 Y N 3.343 123.651 120.300 0.013 0.000 2.341 418 Y HA 0.505 5.044 4.550 -0.018 0.000 0.338 418 Y C -0.435 175.443 175.900 -0.037 0.000 0.965 418 Y CA -0.952 57.151 58.100 0.006 0.000 1.108 418 Y CB 1.030 39.518 38.460 0.047 0.000 1.180 418 Y HN 0.327 nan 8.280 nan 0.000 0.458 419 I N 3.142 123.671 120.570 -0.069 0.000 2.582 419 I HA 0.553 4.711 4.170 -0.019 0.000 0.292 419 I C -1.084 174.987 176.117 -0.077 0.000 1.066 419 I CA -0.877 60.274 61.300 -0.248 0.000 1.053 419 I CB 2.274 39.689 38.000 -0.974 0.000 1.241 419 I HN 0.423 nan 8.210 nan 0.000 0.421 420 V N 4.962 124.957 119.914 0.135 0.000 2.588 420 V HA 0.963 5.072 4.120 -0.019 0.000 0.304 420 V C -0.888 175.336 176.094 0.218 0.000 1.042 420 V CA -0.166 62.224 62.300 0.151 0.000 0.877 420 V CB 1.566 33.553 31.823 0.273 0.000 0.996 420 V HN 0.950 nan 8.190 nan 0.000 0.425 421 A N 5.917 128.812 122.820 0.125 0.000 2.515 421 A HA 1.019 5.327 4.320 -0.019 0.000 0.298 421 A C -1.581 176.034 177.584 0.052 0.000 1.059 421 A CA -0.455 51.637 52.037 0.092 0.000 0.698 421 A CB 1.581 20.664 19.000 0.137 0.000 1.289 421 A HN 1.767 nan 8.150 nan 0.000 0.404 422 W N 1.429 122.652 121.300 -0.128 0.000 3.213 422 W HA 0.643 5.292 4.660 -0.018 0.000 0.318 422 W C -0.708 175.816 176.519 0.009 0.000 1.248 422 W CA -0.711 56.559 57.345 -0.126 0.000 1.187 422 W CB 0.424 29.794 29.460 -0.150 0.000 1.403 422 W HN 0.869 nan 8.180 nan 0.000 0.556 423 N N 0.204 119.020 118.700 0.192 0.000 2.447 423 N HA 0.203 4.931 4.740 -0.019 0.000 0.271 423 N C 0.791 176.435 175.510 0.223 0.000 1.226 423 N CA -0.349 52.766 53.050 0.107 0.000 0.980 423 N CB 0.740 39.269 38.487 0.069 0.000 1.206 423 N HN 0.824 nan 8.380 nan 0.000 0.558 424 Q N -0.588 119.292 119.800 0.133 0.000 2.181 424 Q HA -0.174 4.155 4.340 -0.019 0.000 0.205 424 Q C 1.118 177.215 176.000 0.162 0.000 0.980 424 Q CA 1.907 57.801 55.803 0.152 0.000 0.862 424 Q CB -0.187 28.599 28.738 0.081 0.000 0.905 424 Q HN 0.813 nan 8.270 nan 0.000 0.429 425 S N -0.814 114.966 115.700 0.134 0.000 2.515 425 S HA -0.071 4.388 4.470 -0.019 0.000 0.231 425 S C 0.912 175.591 174.600 0.132 0.000 0.987 425 S CA 0.819 59.083 58.200 0.107 0.000 0.936 425 S CB 0.067 63.313 63.200 0.076 0.000 0.766 425 S HN 0.429 nan 8.310 nan 0.000 0.528 426 E N 0.491 120.823 120.200 0.221 0.000 2.501 426 E HA 0.155 4.493 4.350 -0.019 0.000 0.201 426 E C 1.501 178.213 176.600 0.186 0.000 1.016 426 E CA -0.217 56.327 56.400 0.240 0.000 0.920 426 E CB 0.037 29.977 29.700 0.400 0.000 1.023 426 E HN 0.605 nan 8.360 nan 0.000 0.474 427 Q N 1.120 121.043 119.800 0.204 0.000 2.197 427 Q HA -0.216 4.113 4.340 -0.019 0.000 0.207 427 Q C 1.966 177.936 176.000 -0.050 0.000 0.984 427 Q CA 1.251 57.137 55.803 0.139 0.000 0.869 427 Q CB -0.109 28.739 28.738 0.184 0.000 0.906 427 Q HN 0.110 nan 8.270 nan 0.000 0.426 428 K N 1.155 121.521 120.400 -0.058 0.000 2.211 428 K HA -0.164 4.144 4.320 -0.019 0.000 0.204 428 K C 1.119 177.578 176.600 -0.235 0.000 1.047 428 K CA 1.158 57.378 56.287 -0.112 0.000 0.935 428 K CB 0.161 32.612 32.500 -0.081 0.000 0.728 428 K HN 0.007 nan 8.250 nan 0.000 0.452 429 K N 0.130 120.301 120.400 -0.382 0.000 2.417 429 K HA 0.002 4.311 4.320 -0.019 0.000 0.196 429 K C 1.337 177.381 176.600 -0.928 0.000 1.023 429 K CA -0.064 55.790 56.287 -0.721 0.000 1.122 429 K CB 0.401 32.257 32.500 -1.073 0.000 0.850 429 K HN 0.102 nan 8.250 nan 0.000 0.521 430 K N 1.080 121.096 120.400 -0.639 0.000 2.034 430 K HA -0.202 4.107 4.320 -0.019 0.000 0.214 430 K C 1.514 177.877 176.600 -0.395 0.000 1.051 430 K CA 2.085 57.989 56.287 -0.638 0.000 0.931 430 K CB -0.089 32.195 32.500 -0.360 0.000 0.715 430 K HN -0.006 nan 8.250 nan 0.000 0.446 431 T N 0.855 115.249 114.554 -0.267 0.000 2.720 431 T HA -0.195 4.143 4.350 -0.019 0.000 0.268 431 T C 1.692 176.303 174.700 -0.148 0.000 1.037 431 T CA 1.771 63.778 62.100 -0.154 0.000 1.144 431 T CB -0.250 68.550 68.868 -0.114 0.000 0.864 431 T HN 0.477 nan 8.240 nan 0.000 0.444 432 E N -0.055 119.991 120.200 -0.257 0.000 2.077 432 E HA -0.153 4.185 4.350 -0.019 0.000 0.193 432 E C 1.800 178.345 176.600 -0.091 0.000 0.989 432 E CA 1.084 57.352 56.400 -0.219 0.000 0.800 432 E CB -0.175 29.309 29.700 -0.359 0.000 0.746 432 E HN 0.428 nan 8.360 nan 0.000 0.452 433 F N 1.077 120.942 119.950 -0.142 0.000 2.102 433 F HA -0.154 4.362 4.527 -0.018 0.000 0.298 433 F C 2.272 178.127 175.800 0.092 0.000 1.105 433 F CA 0.951 58.905 58.000 -0.078 0.000 1.239 433 F CB -0.717 38.089 39.000 -0.324 0.000 0.991 433 F HN 0.077 nan 8.300 nan 0.000 0.474 434 L N -0.510 120.828 121.223 0.190 0.000 2.093 434 L HA -0.209 4.120 4.340 -0.019 0.000 0.208 434 L C 2.120 179.083 176.870 0.154 0.000 1.085 434 L CA 1.728 56.673 54.840 0.176 0.000 0.755 434 L CB -0.759 41.358 42.059 0.096 0.000 0.904 434 L HN 0.115 nan 8.230 nan 0.000 0.435 435 D N -0.446 120.025 120.400 0.119 0.000 2.117 435 D HA -0.269 4.360 4.640 -0.019 0.000 0.197 435 D C 1.999 178.382 176.300 0.139 0.000 0.987 435 D CA 1.147 55.204 54.000 0.094 0.000 0.829 435 D CB -0.129 40.705 40.800 0.056 0.000 0.961 435 D HN 0.320 nan 8.370 nan 0.000 0.460 436 W N 0.440 121.766 121.300 0.044 0.000 2.335 436 W HA -0.180 4.469 4.660 -0.020 0.000 0.311 436 W C 1.954 178.506 176.519 0.055 0.000 1.213 436 W CA 1.281 58.660 57.345 0.056 0.000 1.274 436 W CB -0.606 28.914 29.460 0.101 0.000 1.148 436 W HN 0.141 nan 8.180 nan 0.000 0.498 437 L N 1.397 122.757 121.223 0.229 0.000 2.046 437 L HA -0.164 4.165 4.340 -0.019 0.000 0.208 437 L C 2.435 179.229 176.870 -0.126 0.000 1.077 437 L CA 2.706 57.543 54.840 -0.004 0.000 0.747 437 L CB -1.367 40.837 42.059 0.242 0.000 0.896 437 L HN 0.276 nan 8.230 nan 0.000 0.432 438 E N -0.489 119.694 120.200 -0.028 0.000 2.085 438 E HA -0.277 4.061 4.350 -0.019 0.000 0.194 438 E C 2.079 178.646 176.600 -0.055 0.000 0.994 438 E CA 1.541 57.931 56.400 -0.017 0.000 0.801 438 E CB -0.031 29.677 29.700 0.013 0.000 0.743 438 E HN 0.534 nan 8.360 nan 0.000 0.453 439 K N -0.060 120.263 120.400 -0.129 0.000 2.155 439 K HA -0.066 4.242 4.320 -0.019 0.000 0.203 439 K C 2.166 178.632 176.600 -0.223 0.000 1.052 439 K CA 0.978 57.176 56.287 -0.148 0.000 0.948 439 K CB 0.112 32.527 32.500 -0.143 0.000 0.728 439 K HN 0.054 nan 8.250 nan 0.000 0.448 440 V N 0.689 120.334 119.914 -0.448 0.000 2.295 440 V HA -0.274 3.834 4.120 -0.019 0.000 0.246 440 V C 2.028 177.913 176.094 -0.349 0.000 1.049 440 V CA 1.687 63.691 62.300 -0.494 0.000 1.024 440 V CB -0.528 30.774 31.823 -0.868 0.000 0.648 440 V HN 0.260 nan 8.190 nan 0.000 0.447 441 Y N 1.188 121.208 120.300 -0.467 0.000 2.224 441 Y HA -0.243 4.295 4.550 -0.019 0.000 0.289 441 Y C 2.560 178.331 175.900 -0.214 0.000 1.146 441 Y CA 2.182 60.053 58.100 -0.381 0.000 1.182 441 Y CB -0.135 38.187 38.460 -0.230 0.000 0.983 441 Y HN 0.367 nan 8.280 nan 0.000 0.524 442 E N -0.272 119.876 120.200 -0.087 0.000 2.106 442 E HA -0.238 4.101 4.350 -0.019 0.000 0.192 442 E C 2.010 178.527 176.600 -0.138 0.000 0.984 442 E CA 1.453 57.783 56.400 -0.117 0.000 0.806 442 E CB -0.891 28.784 29.700 -0.042 0.000 0.750 442 E HN 0.465 nan 8.360 nan 0.000 0.458 443 F N 0.335 120.162 119.950 -0.205 0.000 2.171 443 F HA -0.128 4.387 4.527 -0.019 0.000 0.300 443 F C 1.792 177.517 175.800 -0.123 0.000 1.090 443 F CA 1.390 59.303 58.000 -0.145 0.000 1.293 443 F CB -0.092 38.841 39.000 -0.111 0.000 1.013 443 F HN 0.064 nan 8.300 nan 0.000 0.486 444 M N 0.301 119.709 119.600 -0.321 0.000 2.562 444 M HA -0.074 4.395 4.480 -0.019 0.000 0.257 444 M C 2.068 178.123 176.300 -0.407 0.000 1.099 444 M CA 0.817 55.942 55.300 -0.292 0.000 1.099 444 M CB -1.084 31.436 32.600 -0.133 0.000 1.427 444 M HN 0.235 nan 8.290 nan 0.000 0.489 445 K N 1.285 121.391 120.400 -0.491 0.000 2.052 445 K HA -0.193 4.115 4.320 -0.019 0.000 0.215 445 K C -1.002 175.313 176.600 -0.475 0.000 1.053 445 K CA 1.855 57.865 56.287 -0.461 0.000 0.934 445 K CB -0.810 31.458 32.500 -0.386 0.000 0.717 445 K HN 0.161 nan 8.250 nan 0.000 0.450 446 P HA -0.069 nan 4.420 nan 0.000 0.226 446 P C 0.409 177.335 177.300 -0.623 0.000 1.153 446 P CA 1.000 63.679 63.100 -0.701 0.000 0.777 446 P CB 0.073 31.207 31.700 -0.943 0.000 0.794 447 F N -1.291 118.501 119.950 -0.264 0.000 2.714 447 F HA 0.080 4.595 4.527 -0.019 0.000 0.294 447 F C 1.551 177.236 175.800 -0.193 0.000 1.120 447 F CA -0.218 57.645 58.000 -0.228 0.000 1.398 447 F CB -0.898 37.934 39.000 -0.279 0.000 1.120 447 F HN -0.221 nan 8.300 nan 0.000 0.589 448 V N -2.285 117.587 119.914 -0.071 0.000 3.369 448 V HA 0.625 4.734 4.120 -0.019 0.000 0.301 448 V C 0.557 176.584 176.094 -0.112 0.000 1.184 448 V CA -1.139 61.108 62.300 -0.087 0.000 1.013 448 V CB 0.723 32.487 31.823 -0.098 0.000 1.230 448 V HN 0.090 nan 8.190 nan 0.000 0.464 449 S N 0.897 116.527 115.700 -0.116 0.000 2.563 449 S HA 0.352 4.810 4.470 -0.019 0.000 0.284 449 S C -0.296 174.240 174.600 -0.107 0.000 1.331 449 S CA -0.223 57.913 58.200 -0.108 0.000 1.047 449 S CB -0.240 62.886 63.200 -0.123 0.000 0.859 449 S HN 1.132 nan 8.310 nan 0.000 0.514 450 K N 0.707 121.054 120.400 -0.089 0.000 2.536 450 K HA 0.465 4.774 4.320 -0.019 0.000 0.269 450 K C -1.093 175.470 176.600 -0.063 0.000 0.965 450 K CA -1.161 55.074 56.287 -0.087 0.000 0.860 450 K CB 0.741 33.179 32.500 -0.104 0.000 1.423 450 K HN 0.502 nan 8.250 nan 0.000 0.438 451 N N 0.935 119.600 118.700 -0.058 0.000 2.708 451 N HA -0.092 4.636 4.740 -0.019 0.000 0.255 451 N C -2.361 173.129 175.510 -0.033 0.000 1.046 451 N CA 0.664 53.687 53.050 -0.045 0.000 0.715 451 N CB -1.294 37.168 38.487 -0.041 0.000 0.895 451 N HN 0.726 nan 8.380 nan 0.000 0.545 452 P HA 0.316 nan 4.420 nan 0.000 0.285 452 P C -0.094 177.177 177.300 -0.048 0.000 1.285 452 P CA -0.692 62.381 63.100 -0.045 0.000 0.854 452 P CB 1.241 32.910 31.700 -0.051 0.000 1.180 453 R N 0.862 121.333 120.500 -0.048 0.000 2.351 453 R HA 0.250 4.578 4.340 -0.019 0.000 0.318 453 R C 0.024 176.307 176.300 -0.028 0.000 1.055 453 R CA -0.217 55.854 56.100 -0.048 0.000 0.968 453 R CB -0.563 29.714 30.300 -0.038 0.000 0.974 453 R HN 0.394 nan 8.270 nan 0.000 0.439 454 L N 3.377 124.561 121.223 -0.065 0.000 2.436 454 L HA 0.449 4.778 4.340 -0.019 0.000 0.265 454 L C 1.071 177.924 176.870 -0.029 0.000 1.168 454 L CA -0.118 54.666 54.840 -0.093 0.000 0.815 454 L CB 1.170 43.044 42.059 -0.309 0.000 1.109 454 L HN 0.824 nan 8.230 nan 0.000 0.462 455 G N -0.176 108.672 108.800 0.079 0.000 2.975 455 G HA2 0.513 4.462 3.960 -0.019 0.000 0.291 455 G HA3 0.513 4.462 3.960 -0.019 0.000 0.291 455 G C -2.343 172.848 174.900 0.486 0.000 1.334 455 G CA -0.203 45.064 45.100 0.278 0.000 0.843 455 G HN 0.340 nan 8.290 nan 0.000 0.548 456 Y N -0.014 120.515 120.300 0.380 0.000 2.361 456 Y HA 0.474 5.013 4.550 -0.020 0.000 0.328 456 Y C 0.551 176.435 175.900 -0.026 0.000 1.044 456 Y CA -1.277 56.994 58.100 0.284 0.000 1.085 456 Y CB 1.699 40.378 38.460 0.365 0.000 1.194 456 Y HN 0.468 nan 8.280 nan 0.000 0.438 457 V N 5.067 124.784 119.914 -0.328 0.000 2.594 457 V HA -0.199 3.909 4.120 -0.019 0.000 0.253 457 V C 1.403 177.139 176.094 -0.596 0.000 1.069 457 V CA 2.404 64.222 62.300 -0.804 0.000 1.082 457 V CB -0.241 31.315 31.823 -0.445 0.000 0.680 457 V HN 0.835 nan 8.190 nan 0.000 0.469 458 N N -0.639 117.547 118.700 -0.857 0.000 2.453 458 N HA -0.090 4.638 4.740 -0.019 0.000 0.183 458 N C 1.177 176.292 175.510 -0.659 0.000 1.041 458 N CA 0.800 53.384 53.050 -0.776 0.000 0.900 458 N CB -0.306 37.663 38.487 -0.863 0.000 0.961 458 N HN 0.566 nan 8.380 nan 0.000 0.443 459 H N 0.415 119.174 119.070 -0.519 0.000 2.539 459 H HA 0.201 4.745 4.556 -0.019 0.000 0.293 459 H C 0.033 175.410 175.328 0.082 0.000 1.156 459 H CA -0.452 55.603 56.048 0.012 0.000 1.012 459 H CB -0.420 29.496 29.762 0.257 0.000 1.600 459 H HN 0.154 nan 8.280 nan 0.000 0.538 460 I N 1.366 121.914 120.570 -0.036 0.000 2.906 460 I HA -0.147 4.011 4.170 -0.019 0.000 0.302 460 I C -0.167 176.061 176.117 0.185 0.000 1.220 460 I CA 0.968 62.276 61.300 0.014 0.000 1.441 460 I CB 0.308 38.239 38.000 -0.115 0.000 1.336 460 I HN 0.216 nan 8.210 nan 0.000 0.565 461 D N 7.399 127.945 120.400 0.243 0.000 2.473 461 D HA 0.208 4.836 4.640 -0.019 0.000 0.253 461 D C 0.414 176.756 176.300 0.070 0.000 1.233 461 D CA -0.392 53.710 54.000 0.170 0.000 0.908 461 D CB 1.357 42.265 40.800 0.180 0.000 1.170 461 D HN 0.553 nan 8.370 nan 0.000 0.558 462 L N 2.260 123.488 121.223 0.009 0.000 2.552 462 L HA 0.000 4.329 4.340 -0.019 0.000 0.227 462 L C 1.056 177.893 176.870 -0.055 0.000 1.146 462 L CA 0.283 55.078 54.840 -0.075 0.000 0.858 462 L CB 0.115 42.132 42.059 -0.071 0.000 0.969 462 L HN 0.283 nan 8.230 nan 0.000 0.451 463 D N 0.454 120.848 120.400 -0.011 0.000 2.263 463 D HA -0.127 4.501 4.640 -0.019 0.000 0.208 463 D C 2.207 178.521 176.300 0.023 0.000 0.971 463 D CA 0.996 54.995 54.000 -0.001 0.000 0.867 463 D CB 0.017 40.806 40.800 -0.019 0.000 0.929 463 D HN 0.314 nan 8.370 nan 0.000 0.492 464 L N -0.428 120.815 121.223 0.034 0.000 2.456 464 L HA 0.114 4.442 4.340 -0.019 0.000 0.224 464 L C 1.348 178.343 176.870 0.208 0.000 1.148 464 L CA 0.473 55.391 54.840 0.130 0.000 0.825 464 L CB -0.413 41.750 42.059 0.173 0.000 0.937 464 L HN 0.114 nan 8.230 nan 0.000 0.450 465 G N -1.237 107.554 108.800 -0.016 0.000 2.373 465 G HA2 0.286 4.235 3.960 -0.019 0.000 0.634 465 G HA3 0.286 4.235 3.960 -0.019 0.000 0.634 465 G C -0.620 173.931 174.900 -0.581 0.000 1.267 465 G CA -0.661 44.408 45.100 -0.052 0.000 1.008 465 G HN 0.394 nan 8.290 nan 0.000 0.497 466 G N -1.388 107.158 108.800 -0.424 0.000 2.579 466 G HA2 0.623 4.571 3.960 -0.019 0.000 0.292 466 G HA3 0.623 4.571 3.960 -0.019 0.000 0.292 466 G C -1.228 173.583 174.900 -0.147 0.000 1.484 466 G CA -0.572 44.226 45.100 -0.503 0.000 0.813 466 G HN 0.961 nan 8.290 nan 0.000 0.515 467 I N 1.644 122.100 120.570 -0.190 0.000 2.331 467 I HA 0.263 4.421 4.170 -0.019 0.000 0.292 467 I C -0.592 175.251 176.117 -0.456 0.000 0.998 467 I CA -0.587 60.484 61.300 -0.382 0.000 1.267 467 I CB 1.587 39.063 38.000 -0.873 0.000 1.386 467 I HN 0.470 nan 8.210 nan 0.000 0.476 468 D N 5.825 126.034 120.400 -0.318 0.000 2.411 468 D HA 0.085 4.714 4.640 -0.019 0.000 0.225 468 D C 0.594 176.779 176.300 -0.191 0.000 1.156 468 D CA -0.274 53.614 54.000 -0.186 0.000 0.874 468 D CB 0.412 41.166 40.800 -0.078 0.000 1.034 468 D HN 0.365 nan 8.370 nan 0.000 0.502 469 W N 2.198 123.512 121.300 0.023 0.000 2.721 469 W HA 0.129 4.777 4.660 -0.019 0.000 0.245 469 W C 2.146 178.673 176.519 0.013 0.000 1.276 469 W CA 0.039 57.395 57.345 0.019 0.000 1.342 469 W CB 0.475 29.939 29.460 0.007 0.000 1.135 469 W HN 0.577 nan 8.180 nan 0.000 0.654 470 G N -0.518 108.381 108.800 0.166 0.000 3.042 470 G HA2 -0.096 3.853 3.960 -0.019 0.000 0.212 470 G HA3 -0.096 3.853 3.960 -0.019 0.000 0.212 470 G C 0.245 175.182 174.900 0.062 0.000 1.166 470 G CA -0.241 44.922 45.100 0.105 0.000 0.767 470 G HN -0.035 nan 8.290 nan 0.000 0.546 471 N N 0.887 119.611 118.700 0.040 0.000 2.501 471 N HA 0.182 4.910 4.740 -0.019 0.000 0.245 471 N C 1.057 176.579 175.510 0.020 0.000 0.974 471 N CA -0.498 52.561 53.050 0.014 0.000 0.941 471 N CB 1.308 39.786 38.487 -0.016 0.000 1.122 471 N HN -0.190 nan 8.380 nan 0.000 0.507 472 K N 1.694 122.111 120.400 0.028 0.000 2.063 472 K HA -0.111 4.198 4.320 -0.019 0.000 0.208 472 K C 1.380 177.995 176.600 0.024 0.000 1.048 472 K CA 1.350 57.658 56.287 0.035 0.000 0.928 472 K CB -0.403 32.115 32.500 0.030 0.000 0.713 472 K HN 0.582 nan 8.250 nan 0.000 0.442 473 T N 0.369 114.930 114.554 0.011 0.000 2.821 473 T HA -0.067 4.271 4.350 -0.019 0.000 0.267 473 T C 1.907 176.605 174.700 -0.003 0.000 1.046 473 T CA 1.291 63.395 62.100 0.006 0.000 1.139 473 T CB -0.019 68.851 68.868 0.002 0.000 0.871 473 T HN -0.029 nan 8.240 nan 0.000 0.454 474 V N 1.082 120.985 119.914 -0.019 0.000 2.307 474 V HA -0.097 4.012 4.120 -0.019 0.000 0.245 474 V C 2.750 178.811 176.094 -0.055 0.000 1.045 474 V CA 1.574 63.845 62.300 -0.048 0.000 1.024 474 V CB -0.559 31.214 31.823 -0.084 0.000 0.651 474 V HN 0.371 nan 8.190 nan 0.000 0.449 475 V N 0.633 120.530 119.914 -0.028 0.000 2.392 475 V HA -0.252 3.856 4.120 -0.019 0.000 0.249 475 V C 2.335 178.471 176.094 0.070 0.000 1.059 475 V CA 1.995 64.320 62.300 0.040 0.000 1.051 475 V CB -0.953 30.963 31.823 0.156 0.000 0.658 475 V HN 0.559 nan 8.190 nan 0.000 0.455 476 N N 0.744 119.472 118.700 0.048 0.000 2.192 476 N HA -0.160 4.569 4.740 -0.019 0.000 0.188 476 N C 1.460 176.993 175.510 0.037 0.000 1.013 476 N CA 1.512 54.589 53.050 0.044 0.000 0.863 476 N CB -0.421 38.083 38.487 0.030 0.000 0.990 476 N HN 0.488 nan 8.380 nan 0.000 0.430 477 N N -0.135 118.576 118.700 0.019 0.000 2.328 477 N HA 0.278 5.006 4.740 -0.019 0.000 0.247 477 N C 0.680 176.193 175.510 0.005 0.000 1.165 477 N CA -0.093 52.964 53.050 0.011 0.000 0.873 477 N CB 0.168 38.653 38.487 -0.004 0.000 1.125 477 N HN 0.069 nan 8.380 nan 0.000 0.513 478 A N 0.165 123.001 122.820 0.027 0.000 1.933 478 A HA -0.074 4.234 4.320 -0.019 0.000 0.218 478 A C 2.025 179.648 177.584 0.065 0.000 1.175 478 A CA 0.922 52.973 52.037 0.024 0.000 0.628 478 A CB -0.451 18.610 19.000 0.102 0.000 0.814 478 A HN 0.422 nan 8.150 nan 0.000 0.444 479 I N -0.839 119.786 120.570 0.092 0.000 2.179 479 I HA -0.245 3.914 4.170 -0.019 0.000 0.242 479 I C 2.640 178.817 176.117 0.100 0.000 1.088 479 I CA 1.812 63.190 61.300 0.130 0.000 1.357 479 I CB -0.390 37.667 38.000 0.095 0.000 1.051 479 I HN 0.520 nan 8.210 nan 0.000 0.409 480 E N 1.497 121.714 120.200 0.028 0.000 2.051 480 E HA -0.217 4.122 4.350 -0.019 0.000 0.192 480 E C 2.366 178.887 176.600 -0.132 0.000 0.991 480 E CA 1.305 57.688 56.400 -0.029 0.000 0.799 480 E CB 0.000 29.686 29.700 -0.024 0.000 0.748 480 E HN 0.441 nan 8.360 nan 0.000 0.449 481 I N 0.732 121.220 120.570 -0.136 0.000 2.208 481 I HA -0.254 3.905 4.170 -0.019 0.000 0.245 481 I C 2.355 178.122 176.117 -0.583 0.000 1.097 481 I CA 1.046 62.209 61.300 -0.228 0.000 1.363 481 I CB -0.153 37.782 38.000 -0.108 0.000 1.051 481 I HN 0.030 nan 8.210 nan 0.000 0.413 482 S N 0.067 115.458 115.700 -0.516 0.000 2.515 482 S HA -0.036 4.423 4.470 -0.019 0.000 0.231 482 S C 1.898 175.822 174.600 -1.126 0.000 0.987 482 S CA 0.533 58.173 58.200 -0.934 0.000 0.936 482 S CB -0.229 62.929 63.200 -0.069 0.000 0.766 482 S HN 0.346 nan 8.310 nan 0.000 0.528 483 R N 1.171 121.243 120.500 -0.713 0.000 2.120 483 R HA -0.027 4.302 4.340 -0.019 0.000 0.234 483 R C 2.384 178.276 176.300 -0.680 0.000 1.123 483 R CA 1.181 56.844 56.100 -0.729 0.000 0.975 483 R CB -0.366 29.714 30.300 -0.367 0.000 0.866 483 R HN 0.278 nan 8.270 nan 0.000 0.446 484 S N 0.417 115.696 115.700 -0.702 0.000 2.369 484 S HA -0.203 4.256 4.470 -0.019 0.000 0.225 484 S C 1.524 175.925 174.600 -0.332 0.000 1.043 484 S CA 2.013 59.952 58.200 -0.435 0.000 1.074 484 S CB -0.320 62.700 63.200 -0.301 0.000 0.962 484 S HN 0.624 nan 8.310 nan 0.000 0.433 485 W N 1.197 122.350 121.300 -0.246 0.000 2.576 485 W HA 0.434 5.083 4.660 -0.019 0.000 0.275 485 W C 2.204 178.400 176.519 -0.538 0.000 1.241 485 W CA 0.278 57.343 57.345 -0.466 0.000 1.328 485 W CB -1.276 27.967 29.460 -0.362 0.000 1.092 485 W HN 0.179 nan 8.180 nan 0.000 0.586 486 G N 1.389 109.926 108.800 -0.437 0.000 2.446 486 G HA2 -0.289 3.659 3.960 -0.019 0.000 0.217 486 G HA3 -0.289 3.659 3.960 -0.019 0.000 0.217 486 G C 1.430 176.227 174.900 -0.172 0.000 1.168 486 G CA 1.372 46.367 45.100 -0.176 0.000 0.771 486 G HN 0.437 nan 8.290 nan 0.000 0.551 487 E N 0.506 120.474 120.200 -0.386 0.000 2.208 487 E HA -0.079 4.260 4.350 -0.019 0.000 0.193 487 E C 2.884 179.437 176.600 -0.078 0.000 0.988 487 E CA 0.984 57.283 56.400 -0.168 0.000 0.828 487 E CB -0.027 29.560 29.700 -0.189 0.000 0.763 487 E HN 0.594 nan 8.360 nan 0.000 0.478 488 S N 0.196 115.794 115.700 -0.171 0.000 2.383 488 S HA -0.157 4.302 4.470 -0.019 0.000 0.227 488 S C 1.822 176.422 174.600 0.001 0.000 1.026 488 S CA 0.720 58.852 58.200 -0.115 0.000 0.981 488 S CB -0.358 62.719 63.200 -0.204 0.000 0.818 488 S HN 0.211 nan 8.310 nan 0.000 0.472 489 Y N 0.347 120.578 120.300 -0.115 0.000 2.314 489 Y HA 0.335 4.874 4.550 -0.018 0.000 0.294 489 Y C 1.381 176.926 175.900 -0.592 0.000 1.119 489 Y CA -0.254 57.586 58.100 -0.433 0.000 1.179 489 Y CB -0.435 37.426 38.460 -0.999 0.000 1.025 489 Y HN 0.352 nan 8.280 nan 0.000 0.541 490 F N -2.744 117.345 119.950 0.231 0.000 2.817 490 F HA 0.305 4.821 4.527 -0.020 0.000 0.333 490 F C 1.031 176.884 175.800 0.089 0.000 1.085 490 F CA -0.850 57.233 58.000 0.139 0.000 1.170 490 F CB -0.268 38.903 39.000 0.284 0.000 1.066 490 F HN -0.208 nan 8.300 nan 0.000 0.564 491 L N -0.479 120.864 121.223 0.199 0.000 5.840 491 L HA -0.500 3.828 4.340 -0.019 0.000 0.053 491 L C 1.856 178.854 176.870 0.213 0.000 2.327 491 L CA 1.468 56.398 54.840 0.149 0.000 1.715 491 L CB -1.515 40.601 42.059 0.095 0.000 2.706 491 L HN 0.026 nan 8.230 nan 0.000 0.957 492 S N -0.185 115.621 115.700 0.177 0.000 2.507 492 S HA -0.041 4.417 4.470 -0.019 0.000 0.235 492 S C 1.159 175.897 174.600 0.231 0.000 0.988 492 S CA 1.011 59.319 58.200 0.180 0.000 0.944 492 S CB -0.419 62.855 63.200 0.124 0.000 0.762 492 S HN 0.426 nan 8.310 nan 0.000 0.526 493 N N 0.607 119.494 118.700 0.310 0.000 2.515 493 N HA 0.000 4.729 4.740 -0.019 0.000 0.185 493 N C 1.077 176.837 175.510 0.417 0.000 1.109 493 N CA 0.286 53.582 53.050 0.410 0.000 0.903 493 N CB -0.323 38.475 38.487 0.519 0.000 0.969 493 N HN 0.596 nan 8.380 nan 0.000 0.450 494 Y N 1.866 122.321 120.300 0.257 0.000 2.165 494 Y HA -0.282 4.257 4.550 -0.019 0.000 0.286 494 Y C 1.937 177.939 175.900 0.170 0.000 1.155 494 Y CA 1.592 59.826 58.100 0.223 0.000 1.164 494 Y CB 0.231 38.819 38.460 0.213 0.000 0.978 494 Y HN -0.027 nan 8.280 nan 0.000 0.513 495 E N 0.187 120.433 120.200 0.077 0.000 2.058 495 E HA -0.230 4.108 4.350 -0.019 0.000 0.194 495 E C 2.256 178.833 176.600 -0.037 0.000 0.997 495 E CA 1.531 57.899 56.400 -0.053 0.000 0.801 495 E CB -0.304 29.403 29.700 0.012 0.000 0.746 495 E HN 0.374 nan 8.360 nan 0.000 0.450 496 R N 0.183 120.689 120.500 0.010 0.000 2.096 496 R HA -0.076 4.253 4.340 -0.019 0.000 0.235 496 R C 2.194 178.581 176.300 0.145 0.000 1.127 496 R CA 0.877 56.952 56.100 -0.041 0.000 0.968 496 R CB -0.240 29.846 30.300 -0.357 0.000 0.861 496 R HN 0.189 nan 8.270 nan 0.000 0.440 497 L N 0.371 121.764 121.223 0.282 0.000 2.042 497 L HA -0.218 4.111 4.340 -0.019 0.000 0.210 497 L C 2.388 179.412 176.870 0.258 0.000 1.076 497 L CA 1.354 56.386 54.840 0.321 0.000 0.749 497 L CB -0.345 41.832 42.059 0.196 0.000 0.893 497 L HN 0.261 nan 8.230 nan 0.000 0.432 498 I N -0.661 119.928 120.570 0.032 0.000 2.226 498 I HA -0.300 3.859 4.170 -0.019 0.000 0.245 498 I C 2.766 178.915 176.117 0.054 0.000 1.100 498 I CA 1.271 62.559 61.300 -0.020 0.000 1.374 498 I CB -0.296 37.587 38.000 -0.195 0.000 1.057 498 I HN 0.205 nan 8.210 nan 0.000 0.413 499 R N 0.623 121.147 120.500 0.040 0.000 2.081 499 R HA -0.133 4.196 4.340 -0.019 0.000 0.235 499 R C 2.438 178.796 176.300 0.096 0.000 1.131 499 R CA 1.483 57.609 56.100 0.043 0.000 0.960 499 R CB -0.469 29.833 30.300 0.003 0.000 0.856 499 R HN 0.370 nan 8.270 nan 0.000 0.436 500 A N 1.533 124.444 122.820 0.151 0.000 1.898 500 A HA -0.214 4.094 4.320 -0.019 0.000 0.216 500 A C 2.071 179.852 177.584 0.327 0.000 1.181 500 A CA 1.610 53.761 52.037 0.190 0.000 0.620 500 A CB -0.284 18.794 19.000 0.131 0.000 0.819 500 A HN 0.115 nan 8.150 nan 0.000 0.442 501 K N -0.139 120.534 120.400 0.455 0.000 2.057 501 K HA -0.102 4.207 4.320 -0.019 0.000 0.207 501 K C 1.848 178.547 176.600 0.165 0.000 1.049 501 K CA 2.388 58.880 56.287 0.341 0.000 0.931 501 K CB -0.911 31.663 32.500 0.123 0.000 0.714 501 K HN 0.384 nan 8.250 nan 0.000 0.440 502 T N 1.199 115.824 114.554 0.119 0.000 2.788 502 T HA -0.057 4.281 4.350 -0.019 0.000 0.268 502 T C 1.717 176.464 174.700 0.078 0.000 1.044 502 T CA 1.413 63.557 62.100 0.073 0.000 1.139 502 T CB -0.170 68.728 68.868 0.051 0.000 0.867 502 T HN 0.113 nan 8.240 nan 0.000 0.454 503 L N -0.290 120.991 121.223 0.096 0.000 2.027 503 L HA 0.024 4.353 4.340 -0.019 0.000 0.206 503 L C 2.330 179.259 176.870 0.099 0.000 1.074 503 L CA 0.991 55.882 54.840 0.085 0.000 0.745 503 L CB -0.275 41.832 42.059 0.080 0.000 0.898 503 L HN 0.199 nan 8.230 nan 0.000 0.433 504 I N -1.220 119.435 120.570 0.142 0.000 3.265 504 I HA -0.020 4.139 4.170 -0.019 0.000 0.282 504 I C 0.364 176.571 176.117 0.150 0.000 1.207 504 I CA 0.907 62.297 61.300 0.151 0.000 1.449 504 I CB 0.324 38.444 38.000 0.199 0.000 1.121 504 I HN 0.088 nan 8.210 nan 0.000 0.442 505 D N -0.203 120.280 120.400 0.139 0.000 2.945 505 D HA 0.218 4.846 4.640 -0.019 0.000 0.340 505 D C -1.897 174.431 176.300 0.046 0.000 1.240 505 D CA -1.489 52.581 54.000 0.117 0.000 0.749 505 D CB 0.621 41.513 40.800 0.154 0.000 1.217 505 D HN 0.054 nan 8.370 nan 0.000 0.514 506 P HA -0.091 nan 4.420 nan 0.000 0.219 506 P C 0.624 177.917 177.300 -0.012 0.000 1.146 506 P CA 0.767 63.877 63.100 0.018 0.000 0.808 506 P CB 0.416 32.132 31.700 0.027 0.000 0.779 507 N N -0.689 118.000 118.700 -0.019 0.000 2.322 507 N HA -0.019 4.710 4.740 -0.019 0.000 0.194 507 N C 0.279 175.725 175.510 -0.107 0.000 1.126 507 N CA 0.051 53.072 53.050 -0.047 0.000 0.845 507 N CB -0.943 37.524 38.487 -0.033 0.000 0.976 507 N HN 0.002 nan 8.380 nan 0.000 0.475 508 N N 0.243 118.864 118.700 -0.133 0.000 2.738 508 N HA -0.144 4.584 4.740 -0.019 0.000 0.249 508 N C 0.604 175.949 175.510 -0.276 0.000 1.047 508 N CA 0.142 53.036 53.050 -0.261 0.000 0.707 508 N CB -1.323 36.904 38.487 -0.433 0.000 0.937 508 N HN -0.044 nan 8.380 nan 0.000 0.545 509 V N -1.039 118.746 119.914 -0.214 0.000 2.626 509 V HA -0.045 4.064 4.120 -0.019 0.000 0.252 509 V C 0.872 176.612 176.094 -0.588 0.000 1.067 509 V CA 1.461 63.526 62.300 -0.391 0.000 1.081 509 V CB -0.413 31.133 31.823 -0.461 0.000 0.686 509 V HN 0.348 nan 8.190 nan 0.000 0.468 510 F N 1.922 121.779 119.950 -0.155 0.000 2.308 510 F HA 0.485 5.000 4.527 -0.019 0.000 0.370 510 F C 0.230 175.877 175.800 -0.255 0.000 1.100 510 F CA -0.852 57.061 58.000 -0.147 0.000 1.108 510 F CB 0.333 39.267 39.000 -0.111 0.000 1.293 510 F HN 0.265 nan 8.300 nan 0.000 0.478 511 N N 0.934 119.559 118.700 -0.126 0.000 2.329 511 N HA 0.758 5.487 4.740 -0.019 0.000 0.282 511 N C -1.185 174.327 175.510 0.003 0.000 1.198 511 N CA -0.882 52.003 53.050 -0.274 0.000 0.790 511 N CB 2.097 40.142 38.487 -0.737 0.000 1.579 511 N HN 0.511 nan 8.380 nan 0.000 0.475 512 H N -3.492 115.667 119.070 0.149 0.000 2.905 512 H HA 0.518 5.062 4.556 -0.019 0.000 0.280 512 H C -2.716 172.791 175.328 0.299 0.000 1.445 512 H CA -1.602 54.544 56.048 0.162 0.000 1.165 512 H CB 0.344 30.121 29.762 0.026 0.000 1.857 512 H HN 0.270 nan 8.280 nan 0.000 0.567 513 P HA -0.076 nan 4.420 nan 0.000 0.221 513 P C 0.258 177.545 177.300 -0.021 0.000 1.145 513 P CA 1.513 64.659 63.100 0.077 0.000 0.795 513 P CB 0.264 31.936 31.700 -0.048 0.000 0.775 514 Q N -1.038 118.831 119.800 0.114 0.000 2.141 514 Q HA 0.153 4.482 4.340 -0.019 0.000 0.248 514 Q C -0.125 175.976 176.000 0.169 0.000 0.834 514 Q CA -0.207 55.615 55.803 0.031 0.000 1.096 514 Q CB 0.478 29.118 28.738 -0.164 0.000 1.189 514 Q HN 0.198 nan 8.270 nan 0.000 0.471 515 S N -0.148 115.391 115.700 -0.267 0.000 2.576 515 S HA 0.268 4.726 4.470 -0.019 0.000 0.276 515 S C 0.551 175.260 174.600 0.182 0.000 1.339 515 S CA -0.666 57.358 58.200 -0.293 0.000 1.039 515 S CB 1.007 63.894 63.200 -0.521 0.000 0.902 515 S HN 0.144 nan 8.310 nan 0.000 0.516 516 I N 3.094 123.706 120.570 0.070 0.000 2.668 516 I HA 0.153 4.311 4.170 -0.019 0.000 0.285 516 I C -2.120 174.062 176.117 0.109 0.000 1.168 516 I CA -1.788 59.602 61.300 0.151 0.000 1.424 516 I CB -0.689 37.310 38.000 -0.002 0.000 1.377 516 I HN 0.458 nan 8.210 nan 0.000 0.560 517 P HA 0.254 nan 4.420 nan 0.000 0.275 517 P C -2.503 174.850 177.300 0.089 0.000 1.227 517 P CA -1.247 62.020 63.100 0.277 0.000 0.781 517 P CB 0.128 32.055 31.700 0.378 0.000 0.906 518 P HA 0.288 nan 4.420 nan 0.000 0.279 518 P C -0.239 177.091 177.300 0.049 0.000 1.252 518 P CA -0.318 62.793 63.100 0.019 0.000 0.811 518 P CB 0.592 32.279 31.700 -0.021 0.000 1.035 519 M N 1.083 120.705 119.600 0.037 0.000 2.233 519 M HA 0.369 4.837 4.480 -0.019 0.000 0.350 519 M C 0.759 177.083 176.300 0.040 0.000 1.176 519 M CA -0.239 55.084 55.300 0.039 0.000 1.150 519 M CB 0.870 33.485 32.600 0.025 0.000 1.530 519 M HN 0.422 nan 8.290 nan 0.000 0.459 520 A N 0.000 122.848 122.820 0.047 0.000 2.254 520 A HA 0.000 4.309 4.320 -0.019 0.000 0.244 520 A CA 0.000 52.063 52.037 0.043 0.000 0.836 520 A CB 0.000 19.031 19.000 0.051 0.000 0.831 520 A HN 0.000 nan 8.150 nan 0.000 0.486