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 1jg9_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPNSQYLKTR ILDIYTPEQR AGIEKSEDWR QFSRRMDTHF PKLMNELDSV DATA SEQUENCE YGNNEALLPM LEMLLAQAWQ SYSQRNSSLK DIDIARENNP DWILSNKQVG DATA SEQUENCE GVCYVDLFAG DLKGLKDKIP YFQELGLTYL HLMPLFKCPE GKSDGGYAVS DATA SEQUENCE SYRDVNPALG TIGDLREVIA ALHEAGISAV VDFIFNHTSN EHEWAQRCAA DATA SEQUENCE GDPLFDNFYY IFPDRRMPDQ YDRTLREIFP DQHPGGFSQL EDGRWVWTTF DATA SEQUENCE NSFQWDLNYS NPWVFRAMAG EMLFLANLGV DILRMDAVAF IWKQMGTSCE DATA SEQUENCE NLPQAHALIR AFNAVMRIAA PAVFFKSEAI VHPDQVVQYI GQDECQIGYN DATA SEQUENCE PLQMALLWNT LATREVNLLH QALTYRHNLP EHTAWVNYVR SHDDIGWTFA DATA SEQUENCE DEDAAYLGIS GYDHRQFLNR FFVNRFDGSF ARGVPFQYNP STGDCRVSGT DATA SEQUENCE AAALVGLAQD DPHAVDRIKL LYSIALSTGG LPLIYLGDEV GTLNDDDWSQ DATA SEQUENCE DSNKSDDSRW AHRPRYNEAL YAQRNDPSTA AGQIYQDLRH MIAVRQSNPR DATA SEQUENCE FDGGRLVTFN TNNKHIIGYI RNNALLAFGN FSEYPQTVTA HTLQAMPFKA DATA SEQUENCE HDLIGGKTVS LNQDLTLQPY QVMWLEIA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.642 174.600 0.069 0.000 1.055 1 S CA 0.000 58.222 58.200 0.037 0.000 1.107 1 S CB 0.000 63.215 63.200 0.025 0.000 0.593 2 P HA 0.453 nan 4.420 nan 0.000 0.273 2 P C -0.747 176.705 177.300 0.254 0.000 1.250 2 P CA -0.491 62.707 63.100 0.164 0.000 0.793 2 P CB 0.122 31.984 31.700 0.270 0.000 1.011 3 N N -2.504 116.313 118.700 0.195 0.000 2.402 3 N HA 0.246 4.986 4.740 0.001 0.000 0.294 3 N C 0.702 176.183 175.510 -0.047 0.000 1.203 3 N CA -0.746 52.406 53.050 0.170 0.000 0.838 3 N CB 0.972 39.521 38.487 0.104 0.000 1.306 3 N HN 0.190 nan 8.380 nan 0.000 0.510 4 S N -0.552 115.067 115.700 -0.136 0.000 2.359 4 S HA -0.202 4.268 4.470 0.001 0.000 0.224 4 S C 1.487 175.968 174.600 -0.200 0.000 1.035 4 S CA 1.280 59.256 58.200 -0.374 0.000 1.018 4 S CB -0.401 62.698 63.200 -0.169 0.000 0.876 4 S HN 0.585 nan 8.310 nan 0.000 0.448 5 Q N -0.243 119.518 119.800 -0.064 0.000 2.061 5 Q HA -0.151 4.190 4.340 0.001 0.000 0.204 5 Q C 1.930 177.945 176.000 0.024 0.000 0.984 5 Q CA 1.878 57.675 55.803 -0.010 0.000 0.846 5 Q CB -0.933 27.820 28.738 0.025 0.000 0.902 5 Q HN 0.827 nan 8.270 nan 0.000 0.421 6 Y N 1.293 121.558 120.300 -0.058 0.000 2.128 6 Y HA -0.195 4.356 4.550 0.001 0.000 0.284 6 Y C 2.127 178.000 175.900 -0.046 0.000 1.154 6 Y CA 1.387 59.464 58.100 -0.038 0.000 1.149 6 Y CB -0.492 37.951 38.460 -0.029 0.000 0.976 6 Y HN 0.008 nan 8.280 nan 0.000 0.505 7 L N 0.151 121.230 121.223 -0.240 0.000 2.083 7 L HA -0.240 4.100 4.340 0.001 0.000 0.209 7 L C 2.434 179.186 176.870 -0.197 0.000 1.083 7 L CA 1.702 56.350 54.840 -0.321 0.000 0.752 7 L CB -0.542 41.325 42.059 -0.320 0.000 0.899 7 L HN 0.197 nan 8.230 nan 0.000 0.433 8 K N -0.354 119.985 120.400 -0.103 0.000 2.097 8 K HA -0.143 4.177 4.320 0.001 0.000 0.205 8 K C 2.128 178.777 176.600 0.082 0.000 1.050 8 K CA 1.839 58.189 56.287 0.105 0.000 0.938 8 K CB -0.297 32.295 32.500 0.155 0.000 0.718 8 K HN 0.473 nan 8.250 nan 0.000 0.442 9 T N -0.897 113.631 114.554 -0.043 0.000 2.915 9 T HA -0.100 4.250 4.350 0.001 0.000 0.269 9 T C 1.869 176.495 174.700 -0.123 0.000 1.071 9 T CA 0.806 62.863 62.100 -0.072 0.000 1.132 9 T CB -0.071 68.753 68.868 -0.074 0.000 0.878 9 T HN 0.171 nan 8.240 nan 0.000 0.479 10 R N 0.121 120.501 120.500 -0.199 0.000 2.161 10 R HA 0.363 4.704 4.340 0.001 0.000 0.213 10 R C 2.446 178.701 176.300 -0.075 0.000 1.055 10 R CA 0.683 56.680 56.100 -0.172 0.000 0.996 10 R CB -0.310 29.824 30.300 -0.277 0.000 0.901 10 R HN 0.406 nan 8.270 nan 0.000 0.456 11 I N 0.985 121.542 120.570 -0.021 0.000 2.226 11 I HA -0.270 3.900 4.170 0.001 0.000 0.245 11 I C 1.800 177.911 176.117 -0.009 0.000 1.100 11 I CA 1.383 62.713 61.300 0.050 0.000 1.374 11 I CB -0.126 37.987 38.000 0.187 0.000 1.057 11 I HN 0.157 nan 8.210 nan 0.000 0.413 12 L N 0.161 121.335 121.223 -0.082 0.000 2.551 12 L HA -0.124 4.217 4.340 0.001 0.000 0.228 12 L C 1.433 178.316 176.870 0.021 0.000 1.153 12 L CA 0.424 55.227 54.840 -0.061 0.000 0.851 12 L CB -0.604 41.280 42.059 -0.291 0.000 0.959 12 L HN 0.223 nan 8.230 nan 0.000 0.451 13 D N 0.825 121.200 120.400 -0.042 0.000 2.350 13 D HA -0.118 4.523 4.640 0.001 0.000 0.216 13 D C 2.084 178.341 176.300 -0.071 0.000 0.968 13 D CA 0.963 54.938 54.000 -0.043 0.000 0.894 13 D CB 0.099 40.871 40.800 -0.048 0.000 0.909 13 D HN 0.558 nan 8.370 nan 0.000 0.520 14 I N -2.932 117.539 120.570 -0.166 0.000 2.928 14 I HA -0.043 4.127 4.170 0.001 0.000 0.266 14 I C 0.136 176.063 176.117 -0.317 0.000 1.234 14 I CA 0.240 61.375 61.300 -0.276 0.000 1.483 14 I CB -0.354 37.397 38.000 -0.415 0.000 1.097 14 I HN -0.253 nan 8.210 nan 0.000 0.455 15 Y N 2.500 122.773 120.300 -0.044 0.000 2.352 15 Y HA 0.384 4.935 4.550 0.001 0.000 0.326 15 Y C 1.414 177.285 175.900 -0.049 0.000 1.166 15 Y CA -0.918 57.154 58.100 -0.047 0.000 1.182 15 Y CB 0.933 39.347 38.460 -0.077 0.000 1.216 15 Y HN 0.017 nan 8.280 nan 0.000 0.474 16 T N -0.707 113.926 114.554 0.131 0.000 2.766 16 T HA 0.098 4.449 4.350 0.001 0.000 0.295 16 T C -1.968 172.757 174.700 0.042 0.000 1.024 16 T CA -1.450 60.685 62.100 0.059 0.000 1.018 16 T CB 0.824 69.717 68.868 0.043 0.000 1.002 16 T HN 0.362 nan 8.240 nan 0.000 0.532 17 P HA -0.101 nan 4.420 nan 0.000 0.215 17 P C 1.497 178.786 177.300 -0.018 0.000 1.157 17 P CA 1.273 64.370 63.100 -0.006 0.000 0.874 17 P CB 0.040 31.736 31.700 -0.006 0.000 0.790 18 E N -0.466 119.728 120.200 -0.010 0.000 2.051 18 E HA -0.220 4.130 4.350 0.001 0.000 0.192 18 E C 2.184 178.763 176.600 -0.035 0.000 0.991 18 E CA 1.083 57.472 56.400 -0.019 0.000 0.799 18 E CB -0.453 29.243 29.700 -0.007 0.000 0.748 18 E HN 0.428 nan 8.360 nan 0.000 0.449 19 Q N 0.482 120.271 119.800 -0.018 0.000 2.084 19 Q HA -0.150 4.190 4.340 0.001 0.000 0.202 19 Q C 2.288 178.175 176.000 -0.188 0.000 0.978 19 Q CA 0.969 56.740 55.803 -0.054 0.000 0.844 19 Q CB -0.214 28.563 28.738 0.065 0.000 0.898 19 Q HN 0.144 nan 8.270 nan 0.000 0.426 20 R N 0.732 121.146 120.500 -0.144 0.000 2.096 20 R HA -0.199 4.141 4.340 0.001 0.000 0.240 20 R C 2.217 178.360 176.300 -0.261 0.000 1.139 20 R CA 1.450 57.401 56.100 -0.249 0.000 0.952 20 R CB -0.347 29.883 30.300 -0.116 0.000 0.854 20 R HN 0.276 nan 8.270 nan 0.000 0.436 21 A N -0.017 122.710 122.820 -0.156 0.000 1.940 21 A HA -0.109 4.212 4.320 0.001 0.000 0.219 21 A C 2.292 179.799 177.584 -0.129 0.000 1.176 21 A CA 1.831 53.794 52.037 -0.122 0.000 0.631 21 A CB -1.048 17.908 19.000 -0.072 0.000 0.814 21 A HN 0.613 nan 8.150 nan 0.000 0.446 22 G N -0.249 108.467 108.800 -0.141 0.000 2.403 22 G HA2 -0.063 3.897 3.960 0.001 0.000 0.216 22 G HA3 -0.063 3.897 3.960 0.001 0.000 0.216 22 G C 1.384 176.195 174.900 -0.148 0.000 1.154 22 G CA 0.934 45.966 45.100 -0.115 0.000 0.784 22 G HN 0.358 nan 8.290 nan 0.000 0.538 23 I N 1.321 121.716 120.570 -0.292 0.000 2.179 23 I HA -0.092 4.078 4.170 0.001 0.000 0.242 23 I C 2.569 178.495 176.117 -0.319 0.000 1.088 23 I CA 0.950 62.035 61.300 -0.359 0.000 1.357 23 I CB -1.017 36.521 38.000 -0.770 0.000 1.051 23 I HN 0.237 nan 8.210 nan 0.000 0.409 24 E N 0.949 120.918 120.200 -0.386 0.000 2.171 24 E HA -0.233 4.117 4.350 0.001 0.000 0.197 24 E C 1.601 178.229 176.600 0.046 0.000 0.997 24 E CA 1.144 57.415 56.400 -0.216 0.000 0.810 24 E CB -0.064 29.535 29.700 -0.169 0.000 0.738 24 E HN 0.320 nan 8.360 nan 0.000 0.467 25 K N 0.549 120.955 120.400 0.009 0.000 2.374 25 K HA 0.047 4.367 4.320 0.001 0.000 0.196 25 K C 0.401 177.052 176.600 0.085 0.000 1.023 25 K CA -0.084 56.234 56.287 0.052 0.000 1.103 25 K CB 0.543 33.053 32.500 0.017 0.000 0.848 25 K HN 0.028 nan 8.250 nan 0.000 0.528 26 S N -0.196 115.575 115.700 0.118 0.000 2.592 26 S HA 0.116 4.587 4.470 0.001 0.000 0.271 26 S C 1.255 175.982 174.600 0.211 0.000 1.326 26 S CA -0.578 57.717 58.200 0.158 0.000 1.024 26 S CB 1.690 65.006 63.200 0.192 0.000 0.921 26 S HN 0.178 nan 8.310 nan 0.000 0.527 27 E N 1.273 121.581 120.200 0.179 0.000 2.072 27 E HA -0.152 4.198 4.350 0.001 0.000 0.191 27 E C 1.049 177.811 176.600 0.270 0.000 0.985 27 E CA 1.816 58.323 56.400 0.178 0.000 0.801 27 E CB -0.396 29.382 29.700 0.130 0.000 0.750 27 E HN 0.742 nan 8.360 nan 0.000 0.452 28 D N -0.101 120.512 120.400 0.355 0.000 2.117 28 D HA -0.185 4.456 4.640 0.001 0.000 0.197 28 D C 1.539 178.267 176.300 0.714 0.000 0.987 28 D CA 1.044 55.389 54.000 0.575 0.000 0.829 28 D CB -0.676 40.429 40.800 0.509 0.000 0.961 28 D HN 0.417 nan 8.370 nan 0.000 0.460 29 W N 1.913 123.434 121.300 0.369 0.000 2.402 29 W HA -0.128 4.533 4.660 0.001 0.000 0.286 29 W C 1.836 178.405 176.519 0.084 0.000 1.221 29 W CA 0.773 58.135 57.345 0.028 0.000 1.257 29 W CB 0.053 29.396 29.460 -0.195 0.000 1.120 29 W HN -0.023 nan 8.180 nan 0.000 0.551 30 R N -0.218 120.339 120.500 0.095 0.000 2.092 30 R HA -0.164 4.177 4.340 0.001 0.000 0.231 30 R C 2.255 178.506 176.300 -0.081 0.000 1.119 30 R CA 1.140 57.220 56.100 -0.032 0.000 0.970 30 R CB -0.563 29.774 30.300 0.061 0.000 0.864 30 R HN 0.229 nan 8.270 nan 0.000 0.440 31 Q N -0.064 119.758 119.800 0.037 0.000 2.083 31 Q HA -0.117 4.224 4.340 0.001 0.000 0.198 31 Q C 1.936 177.851 176.000 -0.141 0.000 0.969 31 Q CA 1.156 56.959 55.803 -0.001 0.000 0.838 31 Q CB -0.284 28.540 28.738 0.143 0.000 0.900 31 Q HN 0.261 nan 8.270 nan 0.000 0.436 32 F N 2.153 121.929 119.950 -0.291 0.000 2.102 32 F HA -0.242 4.286 4.527 0.001 0.000 0.298 32 F C 2.567 178.060 175.800 -0.512 0.000 1.105 32 F CA 1.768 59.523 58.000 -0.407 0.000 1.239 32 F CB -0.350 38.527 39.000 -0.205 0.000 0.991 32 F HN 0.109 nan 8.300 nan 0.000 0.474 33 S N 0.504 115.805 115.700 -0.666 0.000 2.370 33 S HA -0.300 4.171 4.470 0.001 0.000 0.226 33 S C 2.274 176.605 174.600 -0.448 0.000 1.033 33 S CA 1.316 59.084 58.200 -0.721 0.000 1.011 33 S CB -0.921 61.816 63.200 -0.771 0.000 0.852 33 S HN 0.574 nan 8.310 nan 0.000 0.457 34 R N 1.344 121.649 120.500 -0.326 0.000 2.073 34 R HA 0.006 4.347 4.340 0.001 0.000 0.234 34 R C 2.653 178.814 176.300 -0.231 0.000 1.134 34 R CA 1.315 57.280 56.100 -0.225 0.000 0.952 34 R CB -0.207 30.002 30.300 -0.152 0.000 0.850 34 R HN 0.413 nan 8.270 nan 0.000 0.433 35 R N -0.399 119.948 120.500 -0.256 0.000 2.092 35 R HA -0.044 4.297 4.340 0.001 0.000 0.231 35 R C 2.433 178.616 176.300 -0.196 0.000 1.119 35 R CA 1.460 57.464 56.100 -0.160 0.000 0.970 35 R CB -0.160 30.033 30.300 -0.178 0.000 0.864 35 R HN 0.247 nan 8.270 nan 0.000 0.440 36 M N 0.835 120.189 119.600 -0.410 0.000 2.080 36 M HA -0.180 4.301 4.480 0.001 0.000 0.260 36 M C 1.338 177.548 176.300 -0.150 0.000 1.068 36 M CA 1.726 56.818 55.300 -0.346 0.000 1.109 36 M CB -0.701 31.566 32.600 -0.556 0.000 1.342 36 M HN 0.059 nan 8.290 nan 0.000 0.405 37 D N -0.424 119.860 120.400 -0.193 0.000 2.123 37 D HA -0.114 4.527 4.640 0.001 0.000 0.196 37 D C 1.924 178.147 176.300 -0.129 0.000 0.992 37 D CA 1.602 55.528 54.000 -0.123 0.000 0.833 37 D CB -0.375 40.344 40.800 -0.136 0.000 0.954 37 D HN 0.339 nan 8.370 nan 0.000 0.455 38 T N -0.078 114.338 114.554 -0.230 0.000 2.812 38 T HA -0.081 4.269 4.350 0.001 0.000 0.264 38 T C 1.488 175.899 174.700 -0.481 0.000 1.042 38 T CA 0.920 62.779 62.100 -0.400 0.000 1.140 38 T CB -0.046 68.452 68.868 -0.617 0.000 0.870 38 T HN 0.325 nan 8.240 nan 0.000 0.445 39 H N -0.981 118.045 119.070 -0.073 0.000 2.654 39 H HA 0.273 4.830 4.556 0.001 0.000 0.264 39 H C 1.803 177.105 175.328 -0.043 0.000 0.954 39 H CA -0.131 55.875 56.048 -0.069 0.000 1.199 39 H CB -0.185 29.522 29.762 -0.091 0.000 1.446 39 H HN 0.288 nan 8.280 nan 0.000 0.516 40 F N 3.291 123.218 119.950 -0.038 0.000 2.126 40 F HA -0.053 4.475 4.527 0.001 0.000 0.299 40 F C -0.923 174.858 175.800 -0.030 0.000 1.096 40 F CA 0.448 58.425 58.000 -0.039 0.000 1.255 40 F CB -0.952 38.009 39.000 -0.065 0.000 0.997 40 F HN 0.047 nan 8.300 nan 0.000 0.479 41 P HA -0.221 nan 4.420 nan 0.000 0.216 41 P C 1.290 178.427 177.300 -0.271 0.000 1.153 41 P CA 2.339 65.307 63.100 -0.220 0.000 0.858 41 P CB -0.090 31.560 31.700 -0.083 0.000 0.789 42 K N -1.161 119.126 120.400 -0.189 0.000 2.057 42 K HA -0.115 4.206 4.320 0.001 0.000 0.206 42 K C 1.983 178.458 176.600 -0.208 0.000 1.050 42 K CA 0.947 57.143 56.287 -0.152 0.000 0.935 42 K CB -0.892 31.569 32.500 -0.066 0.000 0.715 42 K HN 0.043 nan 8.250 nan 0.000 0.439 43 L N 1.111 122.179 121.223 -0.258 0.000 2.012 43 L HA -0.176 4.165 4.340 0.001 0.000 0.210 43 L C 2.328 178.972 176.870 -0.375 0.000 1.073 43 L CA 1.692 56.375 54.840 -0.262 0.000 0.748 43 L CB -0.447 41.492 42.059 -0.199 0.000 0.891 43 L HN 0.142 nan 8.230 nan 0.000 0.431 44 M N -0.119 119.094 119.600 -0.645 0.000 2.086 44 M HA -0.209 4.272 4.480 0.001 0.000 0.261 44 M C 2.083 178.207 176.300 -0.293 0.000 1.067 44 M CA 2.061 57.049 55.300 -0.520 0.000 1.116 44 M CB -0.799 31.382 32.600 -0.697 0.000 1.348 44 M HN 0.479 nan 8.290 nan 0.000 0.407 45 N N -0.152 118.388 118.700 -0.267 0.000 2.120 45 N HA -0.180 4.561 4.740 0.001 0.000 0.188 45 N C 1.506 176.905 175.510 -0.184 0.000 1.024 45 N CA 1.773 54.711 53.050 -0.187 0.000 0.852 45 N CB -0.111 38.281 38.487 -0.158 0.000 1.003 45 N HN 0.377 nan 8.380 nan 0.000 0.424 46 E N 0.382 120.463 120.200 -0.197 0.000 2.047 46 E HA -0.113 4.238 4.350 0.001 0.000 0.191 46 E C 2.169 178.613 176.600 -0.260 0.000 0.987 46 E CA 0.671 56.947 56.400 -0.206 0.000 0.799 46 E CB -0.457 29.137 29.700 -0.177 0.000 0.752 46 E HN 0.475 nan 8.360 nan 0.000 0.449 47 L N 1.399 122.466 121.223 -0.260 0.000 2.083 47 L HA -0.167 4.173 4.340 0.001 0.000 0.209 47 L C 2.452 179.234 176.870 -0.146 0.000 1.083 47 L CA 1.278 55.980 54.840 -0.229 0.000 0.752 47 L CB -0.394 41.549 42.059 -0.193 0.000 0.899 47 L HN 0.143 nan 8.230 nan 0.000 0.433 48 D N -0.070 120.244 120.400 -0.143 0.000 2.144 48 D HA -0.178 4.463 4.640 0.001 0.000 0.200 48 D C 2.168 178.384 176.300 -0.141 0.000 0.978 48 D CA 1.582 55.520 54.000 -0.105 0.000 0.833 48 D CB 0.279 41.022 40.800 -0.096 0.000 0.961 48 D HN 0.363 nan 8.370 nan 0.000 0.470 49 S N -0.332 115.253 115.700 -0.191 0.000 2.423 49 S HA -0.086 4.385 4.470 0.001 0.000 0.231 49 S C 2.153 176.570 174.600 -0.306 0.000 1.014 49 S CA 1.004 59.076 58.200 -0.214 0.000 0.965 49 S CB -0.172 62.900 63.200 -0.214 0.000 0.785 49 S HN 0.158 nan 8.310 nan 0.000 0.495 50 V N -0.282 119.376 119.914 -0.427 0.000 2.436 50 V HA 0.106 4.227 4.120 0.001 0.000 0.240 50 V C 1.925 177.679 176.094 -0.568 0.000 1.040 50 V CA 1.050 62.934 62.300 -0.692 0.000 1.052 50 V CB -0.800 30.395 31.823 -1.045 0.000 0.707 50 V HN 0.482 nan 8.190 nan 0.000 0.469 51 Y N 0.738 120.948 120.300 -0.150 0.000 2.497 51 Y HA 0.488 5.039 4.550 0.001 0.000 0.265 51 Y C 1.868 177.730 175.900 -0.062 0.000 1.111 51 Y CA 0.166 58.217 58.100 -0.081 0.000 1.288 51 Y CB -0.624 37.763 38.460 -0.121 0.000 1.082 51 Y HN 0.320 nan 8.280 nan 0.000 0.536 52 G N 1.302 110.120 108.800 0.031 0.000 2.611 52 G HA2 -0.389 3.572 3.960 0.001 0.000 0.301 52 G HA3 -0.389 3.572 3.960 0.001 0.000 0.301 52 G C 0.652 175.568 174.900 0.027 0.000 1.233 52 G CA 0.568 45.675 45.100 0.012 0.000 0.993 52 G HN 0.366 nan 8.290 nan 0.000 0.553 53 N N 2.376 121.092 118.700 0.026 0.000 2.375 53 N HA 0.033 4.774 4.740 0.001 0.000 0.220 53 N C 0.622 176.148 175.510 0.026 0.000 1.170 53 N CA -0.031 53.031 53.050 0.021 0.000 0.833 53 N CB -0.360 38.138 38.487 0.017 0.000 1.069 53 N HN 0.505 nan 8.380 nan 0.000 0.479 54 N N 2.062 120.782 118.700 0.035 0.000 2.411 54 N HA -0.099 4.642 4.740 0.001 0.000 0.261 54 N C 1.172 176.675 175.510 -0.013 0.000 1.248 54 N CA 0.193 53.254 53.050 0.019 0.000 0.885 54 N CB 0.988 39.482 38.487 0.011 0.000 1.062 54 N HN 0.267 nan 8.380 nan 0.000 0.471 55 E N 3.741 123.945 120.200 0.007 0.000 2.219 55 E HA -0.172 4.179 4.350 0.001 0.000 0.198 55 E C 1.265 177.866 176.600 0.002 0.000 0.998 55 E CA 1.812 58.222 56.400 0.018 0.000 0.818 55 E CB -0.297 29.428 29.700 0.042 0.000 0.741 55 E HN 0.531 nan 8.360 nan 0.000 0.477 56 A N 0.265 123.055 122.820 -0.050 0.000 2.169 56 A HA 0.180 4.501 4.320 0.001 0.000 0.212 56 A C 1.965 179.336 177.584 -0.355 0.000 1.153 56 A CA 0.585 52.539 52.037 -0.140 0.000 0.756 56 A CB -0.443 18.435 19.000 -0.204 0.000 0.813 56 A HN 0.294 nan 8.150 nan 0.000 0.471 57 L N -0.542 120.516 121.223 -0.275 0.000 1.994 57 L HA -0.131 4.209 4.340 0.001 0.000 0.208 57 L C 2.180 178.950 176.870 -0.167 0.000 1.071 57 L CA 2.076 56.746 54.840 -0.283 0.000 0.745 57 L CB -0.640 41.331 42.059 -0.147 0.000 0.892 57 L HN 0.335 nan 8.230 nan 0.000 0.431 58 L N -0.004 121.184 121.223 -0.059 0.000 2.017 58 L HA -0.070 4.271 4.340 0.001 0.000 0.208 58 L C -0.481 176.409 176.870 0.033 0.000 1.073 58 L CA 2.013 56.865 54.840 0.020 0.000 0.745 58 L CB -1.847 40.247 42.059 0.059 0.000 0.894 58 L HN 0.183 nan 8.230 nan 0.000 0.432 59 P HA -0.188 nan 4.420 nan 0.000 0.216 59 P C 2.027 179.402 177.300 0.126 0.000 1.153 59 P CA 1.410 64.590 63.100 0.133 0.000 0.848 59 P CB -0.265 31.578 31.700 0.238 0.000 0.787 60 M N -0.731 118.763 119.600 -0.178 0.000 2.086 60 M HA -0.129 4.351 4.480 0.001 0.000 0.261 60 M C 1.909 178.184 176.300 -0.042 0.000 1.067 60 M CA 1.856 56.939 55.300 -0.361 0.000 1.116 60 M CB -1.364 30.657 32.600 -0.965 0.000 1.348 60 M HN -0.096 nan 8.290 nan 0.000 0.407 61 L N 1.329 122.533 121.223 -0.033 0.000 2.012 61 L HA -0.180 4.160 4.340 0.001 0.000 0.210 61 L C 2.115 179.073 176.870 0.148 0.000 1.073 61 L CA 2.015 56.908 54.840 0.089 0.000 0.748 61 L CB -0.844 41.281 42.059 0.110 0.000 0.891 61 L HN 0.387 nan 8.230 nan 0.000 0.431 62 E N -0.974 119.303 120.200 0.127 0.000 2.110 62 E HA -0.279 4.071 4.350 0.001 0.000 0.193 62 E C 2.165 178.857 176.600 0.152 0.000 0.988 62 E CA 1.545 58.022 56.400 0.128 0.000 0.804 62 E CB -0.262 29.497 29.700 0.099 0.000 0.745 62 E HN 0.593 nan 8.360 nan 0.000 0.458 63 M N 0.797 120.501 119.600 0.174 0.000 2.132 63 M HA -0.152 4.329 4.480 0.001 0.000 0.263 63 M C 2.280 178.701 176.300 0.201 0.000 1.065 63 M CA 1.011 56.427 55.300 0.194 0.000 1.122 63 M CB 0.048 32.809 32.600 0.269 0.000 1.365 63 M HN 0.136 nan 8.290 nan 0.000 0.411 64 L N 0.827 122.175 121.223 0.210 0.000 2.046 64 L HA -0.144 4.197 4.340 0.001 0.000 0.208 64 L C 1.950 178.973 176.870 0.255 0.000 1.077 64 L CA 1.858 56.834 54.840 0.227 0.000 0.747 64 L CB -0.729 41.476 42.059 0.242 0.000 0.896 64 L HN 0.363 nan 8.230 nan 0.000 0.432 65 L N -0.613 120.768 121.223 0.263 0.000 2.131 65 L HA -0.154 4.186 4.340 0.001 0.000 0.210 65 L C 2.657 179.736 176.870 0.349 0.000 1.092 65 L CA 1.036 56.072 54.840 0.327 0.000 0.759 65 L CB -0.942 41.278 42.059 0.268 0.000 0.903 65 L HN 0.395 nan 8.230 nan 0.000 0.435 66 A N -0.361 122.616 122.820 0.261 0.000 1.898 66 A HA -0.229 4.092 4.320 0.001 0.000 0.216 66 A C 2.231 179.954 177.584 0.231 0.000 1.181 66 A CA 1.405 53.589 52.037 0.246 0.000 0.620 66 A CB -0.387 18.711 19.000 0.164 0.000 0.819 66 A HN 0.454 nan 8.150 nan 0.000 0.442 67 Q N -0.647 119.274 119.800 0.202 0.000 2.119 67 Q HA -0.055 4.286 4.340 0.001 0.000 0.201 67 Q C 2.417 178.526 176.000 0.181 0.000 0.972 67 Q CA 1.231 57.133 55.803 0.166 0.000 0.847 67 Q CB -0.372 28.468 28.738 0.170 0.000 0.903 67 Q HN 0.682 nan 8.270 nan 0.000 0.433 68 A N 1.162 124.141 122.820 0.265 0.000 1.877 68 A HA -0.204 4.117 4.320 0.001 0.000 0.216 68 A C 1.770 179.522 177.584 0.280 0.000 1.186 68 A CA 1.158 53.395 52.037 0.333 0.000 0.620 68 A CB -1.200 18.082 19.000 0.470 0.000 0.822 68 A HN 0.748 nan 8.150 nan 0.000 0.443 69 W N 0.451 121.703 121.300 -0.080 0.000 2.355 69 W HA -0.204 4.457 4.660 0.001 0.000 0.309 69 W C 1.900 178.346 176.519 -0.122 0.000 1.206 69 W CA 1.635 58.663 57.345 -0.528 0.000 1.284 69 W CB -0.179 29.017 29.460 -0.439 0.000 1.145 69 W HN 0.361 nan 8.180 nan 0.000 0.502 70 Q N 0.410 120.032 119.800 -0.297 0.000 2.084 70 Q HA -0.197 4.143 4.340 0.001 0.000 0.202 70 Q C 2.333 178.166 176.000 -0.279 0.000 0.978 70 Q CA 1.887 57.449 55.803 -0.401 0.000 0.844 70 Q CB -1.095 27.560 28.738 -0.138 0.000 0.898 70 Q HN 0.276 nan 8.270 nan 0.000 0.426 71 S N -0.165 115.484 115.700 -0.084 0.000 2.356 71 S HA -0.182 4.288 4.470 0.001 0.000 0.223 71 S C 1.872 176.455 174.600 -0.028 0.000 1.032 71 S CA 1.009 59.206 58.200 -0.004 0.000 1.005 71 S CB -0.291 62.974 63.200 0.108 0.000 0.867 71 S HN 0.456 nan 8.310 nan 0.000 0.449 72 Y N 2.664 122.898 120.300 -0.110 0.000 2.242 72 Y HA -0.102 4.448 4.550 0.001 0.000 0.291 72 Y C 2.638 178.411 175.900 -0.212 0.000 1.137 72 Y CA 1.717 59.780 58.100 -0.062 0.000 1.181 72 Y CB -0.722 37.819 38.460 0.136 0.000 0.989 72 Y HN 0.461 nan 8.280 nan 0.000 0.527 73 S N -0.371 114.974 115.700 -0.590 0.000 2.382 73 S HA -0.276 4.194 4.470 0.001 0.000 0.228 73 S C 1.773 176.123 174.600 -0.416 0.000 1.027 73 S CA 1.596 59.380 58.200 -0.693 0.000 0.991 73 S CB -0.622 61.949 63.200 -1.049 0.000 0.823 73 S HN 0.628 nan 8.310 nan 0.000 0.469 74 Q N 0.675 120.281 119.800 -0.322 0.000 2.245 74 Q HA 0.137 4.478 4.340 0.001 0.000 0.201 74 Q C 1.035 176.929 176.000 -0.178 0.000 0.955 74 Q CA 0.104 55.789 55.803 -0.197 0.000 0.870 74 Q CB -0.045 28.618 28.738 -0.125 0.000 0.945 74 Q HN 0.476 nan 8.270 nan 0.000 0.461 75 R N 2.275 122.640 120.500 -0.226 0.000 2.566 75 R HA -0.058 4.283 4.340 0.001 0.000 0.273 75 R C -0.509 175.681 176.300 -0.183 0.000 0.981 75 R CA -0.008 55.977 56.100 -0.192 0.000 1.091 75 R CB 0.354 30.509 30.300 -0.242 0.000 0.924 75 R HN 0.163 nan 8.270 nan 0.000 0.411 76 N N 1.512 120.143 118.700 -0.115 0.000 2.479 76 N HA -0.097 4.643 4.740 0.001 0.000 0.257 76 N C 0.838 176.289 175.510 -0.099 0.000 1.232 76 N CA 0.176 53.171 53.050 -0.091 0.000 0.920 76 N CB 1.506 39.959 38.487 -0.058 0.000 1.105 76 N HN 0.601 nan 8.380 nan 0.000 0.444 77 S N 1.601 117.252 115.700 -0.083 0.000 2.374 77 S HA -0.162 4.308 4.470 0.001 0.000 0.227 77 S C 1.745 176.309 174.600 -0.059 0.000 1.037 77 S CA 1.653 59.812 58.200 -0.068 0.000 1.024 77 S CB -0.014 63.157 63.200 -0.048 0.000 0.861 77 S HN 0.590 nan 8.310 nan 0.000 0.456 78 S N 1.449 117.113 115.700 -0.059 0.000 2.370 78 S HA 0.005 4.476 4.470 0.001 0.000 0.226 78 S C 1.773 176.318 174.600 -0.092 0.000 1.033 78 S CA 1.462 59.620 58.200 -0.070 0.000 1.011 78 S CB -0.492 62.670 63.200 -0.064 0.000 0.852 78 S HN 0.499 nan 8.310 nan 0.000 0.457 79 L N 0.872 122.043 121.223 -0.087 0.000 2.141 79 L HA -0.079 4.262 4.340 0.001 0.000 0.209 79 L C 2.344 179.180 176.870 -0.056 0.000 1.094 79 L CA 1.129 55.916 54.840 -0.089 0.000 0.763 79 L CB -0.435 41.585 42.059 -0.065 0.000 0.908 79 L HN 0.250 nan 8.230 nan 0.000 0.437 80 K N -0.146 120.230 120.400 -0.041 0.000 2.148 80 K HA -0.139 4.182 4.320 0.001 0.000 0.204 80 K C 1.587 178.194 176.600 0.012 0.000 1.050 80 K CA 1.108 57.406 56.287 0.018 0.000 0.942 80 K CB -0.048 32.447 32.500 -0.008 0.000 0.724 80 K HN 0.288 nan 8.250 nan 0.000 0.446 81 D N 0.915 121.296 120.400 -0.032 0.000 2.144 81 D HA -0.098 4.542 4.640 0.001 0.000 0.200 81 D C 1.835 178.090 176.300 -0.076 0.000 0.978 81 D CA 0.989 54.963 54.000 -0.044 0.000 0.833 81 D CB -0.037 40.730 40.800 -0.056 0.000 0.961 81 D HN 0.212 nan 8.370 nan 0.000 0.470 82 I N 1.245 121.747 120.570 -0.113 0.000 2.315 82 I HA -0.196 3.975 4.170 0.001 0.000 0.248 82 I C 1.807 177.840 176.117 -0.140 0.000 1.117 82 I CA 0.801 61.995 61.300 -0.176 0.000 1.404 82 I CB -0.183 37.672 38.000 -0.242 0.000 1.071 82 I HN -0.159 nan 8.210 nan 0.000 0.419 83 D N 1.462 121.825 120.400 -0.061 0.000 2.104 83 D HA -0.165 4.476 4.640 0.001 0.000 0.194 83 D C 2.270 178.563 176.300 -0.012 0.000 0.994 83 D CA 1.501 55.496 54.000 -0.007 0.000 0.830 83 D CB -0.202 40.646 40.800 0.081 0.000 0.959 83 D HN 0.345 nan 8.370 nan 0.000 0.452 84 I N 1.117 121.683 120.570 -0.006 0.000 2.315 84 I HA -0.226 3.944 4.170 0.001 0.000 0.248 84 I C 2.522 178.618 176.117 -0.035 0.000 1.117 84 I CA 0.820 62.116 61.300 -0.006 0.000 1.404 84 I CB -0.256 37.747 38.000 0.005 0.000 1.071 84 I HN -0.085 nan 8.210 nan 0.000 0.419 85 A N 1.112 123.888 122.820 -0.073 0.000 1.883 85 A HA -0.218 4.103 4.320 0.001 0.000 0.217 85 A C 2.398 179.912 177.584 -0.117 0.000 1.186 85 A CA 1.670 53.645 52.037 -0.102 0.000 0.624 85 A CB -0.575 18.333 19.000 -0.154 0.000 0.822 85 A HN 0.324 nan 8.150 nan 0.000 0.444 86 R N -0.974 119.427 120.500 -0.166 0.000 2.153 86 R HA -0.030 4.310 4.340 0.001 0.000 0.218 86 R C 2.124 178.454 176.300 0.049 0.000 1.072 86 R CA 1.025 57.037 56.100 -0.147 0.000 0.990 86 R CB -0.156 29.963 30.300 -0.302 0.000 0.889 86 R HN 0.764 nan 8.270 nan 0.000 0.452 87 E N 0.707 120.924 120.200 0.028 0.000 2.204 87 E HA -0.133 4.218 4.350 0.001 0.000 0.195 87 E C 0.747 177.365 176.600 0.029 0.000 0.990 87 E CA 0.921 57.346 56.400 0.042 0.000 0.821 87 E CB 0.219 29.931 29.700 0.020 0.000 0.750 87 E HN 0.265 nan 8.360 nan 0.000 0.477 88 N N 0.336 119.045 118.700 0.014 0.000 2.214 88 N HA 0.001 4.741 4.740 0.001 0.000 0.214 88 N C -0.408 175.116 175.510 0.024 0.000 1.132 88 N CA 0.116 53.172 53.050 0.010 0.000 0.856 88 N CB 0.700 39.187 38.487 0.000 0.000 1.020 88 N HN 0.001 nan 8.380 nan 0.000 0.509 89 N N 0.893 119.624 118.700 0.052 0.000 2.697 89 N HA 0.177 4.917 4.740 0.001 0.000 0.253 89 N C -2.043 173.596 175.510 0.215 0.000 1.604 89 N CA -1.437 51.671 53.050 0.097 0.000 0.772 89 N CB 1.009 39.538 38.487 0.069 0.000 1.267 89 N HN -0.118 nan 8.380 nan 0.000 0.510 90 P HA -0.037 nan 4.420 nan 0.000 0.221 90 P C -0.201 177.250 177.300 0.252 0.000 1.145 90 P CA 1.043 64.287 63.100 0.239 0.000 0.795 90 P CB 0.448 32.089 31.700 -0.098 0.000 0.775 91 D N -0.783 119.738 120.400 0.202 0.000 2.336 91 D HA -0.020 4.621 4.640 0.001 0.000 0.228 91 D C 1.690 178.022 176.300 0.052 0.000 1.120 91 D CA -0.118 53.954 54.000 0.120 0.000 0.839 91 D CB -0.870 40.014 40.800 0.139 0.000 0.932 91 D HN 0.410 nan 8.370 nan 0.000 0.509 92 W N 1.288 122.560 121.300 -0.047 0.000 2.392 92 W HA -0.136 4.525 4.660 0.001 0.000 0.279 92 W C 1.305 177.774 176.519 -0.083 0.000 1.225 92 W CA 0.503 57.796 57.345 -0.086 0.000 1.233 92 W CB -1.038 28.327 29.460 -0.159 0.000 1.122 92 W HN 0.103 nan 8.180 nan 0.000 0.561 93 I N -1.036 118.981 120.570 -0.921 0.000 2.928 93 I HA -0.022 4.149 4.170 0.001 0.000 0.266 93 I C 1.929 177.829 176.117 -0.362 0.000 1.234 93 I CA 0.972 61.743 61.300 -0.882 0.000 1.483 93 I CB -0.676 36.779 38.000 -0.908 0.000 1.097 93 I HN -0.101 nan 8.210 nan 0.000 0.455 94 L N 0.692 121.790 121.223 -0.209 0.000 2.607 94 L HA 0.213 4.554 4.340 0.001 0.000 0.228 94 L C 1.289 178.133 176.870 -0.043 0.000 1.123 94 L CA -0.145 54.635 54.840 -0.100 0.000 0.890 94 L CB 0.117 42.139 42.059 -0.061 0.000 1.103 94 L HN 0.210 nan 8.230 nan 0.000 0.468 95 S N 0.907 116.590 115.700 -0.030 0.000 2.562 95 S HA -0.018 4.453 4.470 0.001 0.000 0.281 95 S C 1.466 176.072 174.600 0.009 0.000 1.333 95 S CA -0.558 57.650 58.200 0.013 0.000 1.052 95 S CB 0.478 63.706 63.200 0.047 0.000 0.884 95 S HN 0.455 nan 8.310 nan 0.000 0.506 96 N N 4.667 123.384 118.700 0.028 0.000 2.512 96 N HA -0.092 4.649 4.740 0.001 0.000 0.183 96 N C 0.883 176.394 175.510 0.002 0.000 1.073 96 N CA 0.604 53.669 53.050 0.025 0.000 0.911 96 N CB -0.141 38.388 38.487 0.070 0.000 0.964 96 N HN 0.616 nan 8.380 nan 0.000 0.447 97 K N -0.051 120.360 120.400 0.018 0.000 2.362 97 K HA 0.022 4.342 4.320 0.001 0.000 0.200 97 K C 0.338 176.953 176.600 0.024 0.000 1.046 97 K CA 0.507 56.806 56.287 0.021 0.000 0.952 97 K CB 0.108 32.633 32.500 0.041 0.000 0.753 97 K HN 0.300 nan 8.250 nan 0.000 0.466 98 Q N 1.091 120.902 119.800 0.018 0.000 2.286 98 Q HA 0.247 4.588 4.340 0.001 0.000 0.257 98 Q C -0.703 175.282 176.000 -0.026 0.000 0.941 98 Q CA 0.013 55.824 55.803 0.014 0.000 0.912 98 Q CB 1.872 30.605 28.738 -0.009 0.000 1.192 98 Q HN -0.144 nan 8.270 nan 0.000 0.410 99 V N 1.276 121.182 119.914 -0.014 0.000 2.711 99 V HA 0.612 4.733 4.120 0.001 0.000 0.304 99 V C 0.034 176.111 176.094 -0.029 0.000 1.097 99 V CA -0.834 61.446 62.300 -0.034 0.000 0.906 99 V CB 2.178 33.996 31.823 -0.007 0.000 1.015 99 V HN 0.863 nan 8.190 nan 0.000 0.427 100 G N 2.093 110.825 108.800 -0.114 0.000 2.489 100 G HA2 0.836 4.796 3.960 0.001 0.000 0.327 100 G HA3 0.836 4.796 3.960 0.001 0.000 0.327 100 G C -0.353 174.572 174.900 0.043 0.000 1.189 100 G CA -0.358 44.711 45.100 -0.053 0.000 0.962 100 G HN 1.115 nan 8.290 nan 0.000 0.486 101 G N -1.933 106.925 108.800 0.097 0.000 2.619 101 G HA2 0.671 4.631 3.960 0.001 0.000 0.296 101 G HA3 0.671 4.631 3.960 0.001 0.000 0.296 101 G C -1.729 173.179 174.900 0.013 0.000 1.334 101 G CA -0.503 44.608 45.100 0.018 0.000 0.934 101 G HN 1.321 nan 8.290 nan 0.000 0.476 102 V N 0.097 119.994 119.914 -0.029 0.000 2.841 102 V HA 0.820 4.941 4.120 0.001 0.000 0.310 102 V C -0.463 175.453 176.094 -0.296 0.000 1.090 102 V CA -0.227 62.010 62.300 -0.105 0.000 0.930 102 V CB 1.256 33.128 31.823 0.081 0.000 1.014 102 V HN 1.766 nan 8.190 nan 0.000 0.425 103 C N 3.507 122.578 119.300 -0.383 0.000 3.312 103 C HA 0.683 5.144 4.460 0.001 0.000 0.332 103 C C -1.448 173.391 174.990 -0.251 0.000 1.340 103 C CA -1.103 57.720 59.018 -0.326 0.000 1.265 103 C CB 0.829 28.299 27.740 -0.451 0.000 1.563 103 C HN 0.867 nan 8.230 nan 0.000 0.471 104 Y N 1.201 121.476 120.300 -0.042 0.000 2.313 104 Y HA 0.409 4.959 4.550 0.001 0.000 0.332 104 Y C 1.515 177.463 175.900 0.080 0.000 1.071 104 Y CA 0.093 58.201 58.100 0.014 0.000 1.169 104 Y CB 1.438 39.953 38.460 0.093 0.000 1.192 104 Y HN 0.605 nan 8.280 nan 0.000 0.487 105 V N 2.471 122.489 119.914 0.174 0.000 2.295 105 V HA -0.307 3.813 4.120 0.001 0.000 0.246 105 V C 1.924 178.116 176.094 0.164 0.000 1.049 105 V CA 2.354 64.742 62.300 0.146 0.000 1.024 105 V CB -0.389 31.469 31.823 0.058 0.000 0.648 105 V HN 0.926 nan 8.190 nan 0.000 0.447 106 D N 0.320 120.814 120.400 0.156 0.000 2.097 106 D HA -0.189 4.452 4.640 0.001 0.000 0.197 106 D C 2.050 178.424 176.300 0.124 0.000 0.984 106 D CA 1.505 55.570 54.000 0.108 0.000 0.826 106 D CB -0.528 40.322 40.800 0.084 0.000 0.973 106 D HN 0.436 nan 8.370 nan 0.000 0.460 107 L N -1.252 120.086 121.223 0.192 0.000 2.109 107 L HA -0.029 4.312 4.340 0.001 0.000 0.207 107 L C 2.627 179.644 176.870 0.245 0.000 1.086 107 L CA 0.806 55.762 54.840 0.193 0.000 0.760 107 L CB -0.432 41.748 42.059 0.201 0.000 0.910 107 L HN -0.062 nan 8.230 nan 0.000 0.437 108 F N 0.155 120.195 119.950 0.150 0.000 2.270 108 F HA 0.080 4.607 4.527 0.001 0.000 0.295 108 F C 1.857 177.640 175.800 -0.029 0.000 1.087 108 F CA 1.014 59.101 58.000 0.145 0.000 1.365 108 F CB 0.193 39.302 39.000 0.182 0.000 1.056 108 F HN -0.058 nan 8.300 nan 0.000 0.506 109 A N -1.371 121.496 122.820 0.078 0.000 2.630 109 A HA 0.571 4.892 4.320 0.001 0.000 0.287 109 A C 1.326 178.869 177.584 -0.068 0.000 1.040 109 A CA 0.492 52.470 52.037 -0.098 0.000 0.971 109 A CB -0.631 18.376 19.000 0.012 0.000 1.241 109 A HN 0.716 nan 8.150 nan 0.000 0.558 110 G N 0.914 109.700 108.800 -0.023 0.000 4.754 110 G HA2 -0.324 3.637 3.960 0.001 0.000 0.222 110 G HA3 -0.324 3.637 3.960 0.001 0.000 0.222 110 G C 0.058 174.955 174.900 -0.005 0.000 1.377 110 G CA 1.282 46.367 45.100 -0.024 0.000 0.942 110 G HN 1.345 nan 8.290 nan 0.000 0.671 111 D N -0.997 119.395 120.400 -0.013 0.000 2.664 111 D HA 0.609 5.250 4.640 0.001 0.000 0.292 111 D C 1.230 177.526 176.300 -0.007 0.000 1.214 111 D CA -0.402 53.591 54.000 -0.012 0.000 0.932 111 D CB 0.106 40.891 40.800 -0.025 0.000 1.420 111 D HN 0.272 nan 8.370 nan 0.000 0.471 112 L N -0.410 120.802 121.223 -0.018 0.000 2.079 112 L HA -0.130 4.210 4.340 0.001 0.000 0.210 112 L C 2.166 179.029 176.870 -0.012 0.000 1.081 112 L CA 1.322 56.152 54.840 -0.016 0.000 0.752 112 L CB -0.412 41.625 42.059 -0.038 0.000 0.896 112 L HN 0.397 nan 8.230 nan 0.000 0.433 113 K N -0.269 120.118 120.400 -0.022 0.000 2.057 113 K HA -0.106 4.215 4.320 0.001 0.000 0.206 113 K C 2.140 178.721 176.600 -0.031 0.000 1.050 113 K CA 1.271 57.543 56.287 -0.025 0.000 0.935 113 K CB -0.462 32.020 32.500 -0.030 0.000 0.715 113 K HN 0.390 nan 8.250 nan 0.000 0.439 114 G N 1.791 110.567 108.800 -0.040 0.000 2.422 114 G HA2 -0.215 3.746 3.960 0.001 0.000 0.218 114 G HA3 -0.215 3.746 3.960 0.001 0.000 0.218 114 G C 1.356 176.227 174.900 -0.048 0.000 1.140 114 G CA 0.162 45.222 45.100 -0.066 0.000 0.775 114 G HN 0.115 nan 8.290 nan 0.000 0.545 115 L N 0.784 122.015 121.223 0.012 0.000 2.046 115 L HA 0.044 4.385 4.340 0.001 0.000 0.208 115 L C 2.521 179.433 176.870 0.071 0.000 1.077 115 L CA 2.206 57.101 54.840 0.092 0.000 0.747 115 L CB -0.772 41.362 42.059 0.126 0.000 0.896 115 L HN 0.267 nan 8.230 nan 0.000 0.432 116 K N -0.294 120.126 120.400 0.032 0.000 2.152 116 K HA -0.191 4.130 4.320 0.001 0.000 0.206 116 K C 1.442 178.033 176.600 -0.014 0.000 1.048 116 K CA 1.670 57.971 56.287 0.023 0.000 0.933 116 K CB 0.055 32.557 32.500 0.004 0.000 0.721 116 K HN 0.372 nan 8.250 nan 0.000 0.447 117 D N 0.239 120.610 120.400 -0.049 0.000 2.347 117 D HA -0.075 4.566 4.640 0.001 0.000 0.215 117 D C 1.200 177.420 176.300 -0.133 0.000 0.976 117 D CA 0.665 54.616 54.000 -0.081 0.000 0.884 117 D CB 0.284 41.027 40.800 -0.095 0.000 0.915 117 D HN 0.094 nan 8.370 nan 0.000 0.526 118 K N 0.429 120.721 120.400 -0.180 0.000 2.393 118 K HA 0.171 4.491 4.320 0.001 0.000 0.193 118 K C 1.998 178.251 176.600 -0.578 0.000 1.026 118 K CA -0.181 55.893 56.287 -0.355 0.000 1.064 118 K CB 0.454 32.738 32.500 -0.360 0.000 0.833 118 K HN 0.256 nan 8.250 nan 0.000 0.521 119 I N 1.646 122.059 120.570 -0.262 0.000 2.264 119 I HA -0.228 3.942 4.170 0.001 0.000 0.248 119 I C -0.876 175.214 176.117 -0.046 0.000 1.111 119 I CA 1.298 62.566 61.300 -0.054 0.000 1.382 119 I CB -1.224 36.839 38.000 0.105 0.000 1.060 119 I HN 0.022 nan 8.210 nan 0.000 0.418 120 P HA -0.224 nan 4.420 nan 0.000 0.216 120 P C 1.540 178.859 177.300 0.031 0.000 1.150 120 P CA 1.402 64.507 63.100 0.008 0.000 0.837 120 P CB -0.120 31.584 31.700 0.006 0.000 0.786 121 Y N -0.467 119.751 120.300 -0.137 0.000 2.200 121 Y HA -0.184 4.366 4.550 0.001 0.000 0.290 121 Y C 1.912 177.869 175.900 0.095 0.000 1.137 121 Y CA 1.347 59.412 58.100 -0.058 0.000 1.163 121 Y CB -1.099 37.277 38.460 -0.141 0.000 0.988 121 Y HN -0.185 nan 8.280 nan 0.000 0.518 122 F N 0.886 120.793 119.950 -0.072 0.000 2.126 122 F HA -0.245 4.282 4.527 0.001 0.000 0.299 122 F C 2.491 178.217 175.800 -0.123 0.000 1.096 122 F CA 1.642 59.553 58.000 -0.148 0.000 1.255 122 F CB -1.324 37.672 39.000 -0.006 0.000 0.997 122 F HN 0.167 nan 8.300 nan 0.000 0.479 123 Q N -0.259 119.614 119.800 0.122 0.000 2.119 123 Q HA -0.209 4.132 4.340 0.001 0.000 0.201 123 Q C 2.257 178.279 176.000 0.037 0.000 0.972 123 Q CA 1.437 57.286 55.803 0.078 0.000 0.847 123 Q CB -0.350 28.433 28.738 0.074 0.000 0.903 123 Q HN 0.522 nan 8.270 nan 0.000 0.433 124 E N 0.655 120.861 120.200 0.011 0.000 2.077 124 E HA -0.218 4.133 4.350 0.001 0.000 0.193 124 E C 1.870 178.492 176.600 0.037 0.000 0.989 124 E CA 0.803 57.230 56.400 0.046 0.000 0.800 124 E CB 0.045 29.807 29.700 0.103 0.000 0.746 124 E HN 0.213 nan 8.360 nan 0.000 0.452 125 L N -0.360 120.810 121.223 -0.087 0.000 2.217 125 L HA 0.096 4.437 4.340 0.001 0.000 0.211 125 L C 1.389 178.245 176.870 -0.024 0.000 1.107 125 L CA 1.998 56.807 54.840 -0.052 0.000 0.783 125 L CB 0.177 42.139 42.059 -0.162 0.000 0.919 125 L HN 0.333 nan 8.230 nan 0.000 0.442 126 G N -1.155 107.644 108.800 -0.001 0.000 2.148 126 G HA2 -0.193 3.768 3.960 0.001 0.000 0.203 126 G HA3 -0.193 3.768 3.960 0.001 0.000 0.203 126 G C 0.168 175.083 174.900 0.025 0.000 0.993 126 G CA 0.082 45.190 45.100 0.012 0.000 0.661 126 G HN 0.287 nan 8.290 nan 0.000 0.518 127 L N 0.975 122.221 121.223 0.038 0.000 2.456 127 L HA 0.475 4.815 4.340 0.001 0.000 0.272 127 L C 1.733 178.645 176.870 0.071 0.000 1.189 127 L CA 0.904 55.771 54.840 0.045 0.000 0.846 127 L CB 0.926 42.992 42.059 0.011 0.000 1.111 127 L HN 0.397 nan 8.230 nan 0.000 0.475 128 T N -1.941 112.672 114.554 0.098 0.000 3.058 128 T HA 0.145 4.495 4.350 0.001 0.000 0.278 128 T C -0.440 174.386 174.700 0.210 0.000 0.974 128 T CA -0.216 61.962 62.100 0.130 0.000 0.893 128 T CB 0.033 68.977 68.868 0.126 0.000 1.138 128 T HN 0.416 nan 8.240 nan 0.000 0.529 129 Y N 0.739 121.043 120.300 0.008 0.000 2.401 129 Y HA 0.682 5.232 4.550 0.001 0.000 0.330 129 Y C -2.376 173.485 175.900 -0.065 0.000 1.071 129 Y CA -2.187 55.917 58.100 0.007 0.000 1.049 129 Y CB 1.795 40.269 38.460 0.023 0.000 1.239 129 Y HN 0.193 nan 8.280 nan 0.000 0.437 130 L N 6.970 128.152 121.223 -0.068 0.000 2.439 130 L HA 0.448 4.788 4.340 0.001 0.000 0.270 130 L C -1.868 174.927 176.870 -0.125 0.000 0.972 130 L CA -0.490 54.272 54.840 -0.131 0.000 0.836 130 L CB 1.093 42.963 42.059 -0.314 0.000 1.255 130 L HN 0.818 nan 8.230 nan 0.000 0.404 131 H N 5.513 124.509 119.070 -0.123 0.000 2.552 131 H HA 0.543 5.099 4.556 0.001 0.000 0.311 131 H C -1.496 173.752 175.328 -0.133 0.000 1.071 131 H CA -0.494 55.494 56.048 -0.101 0.000 1.307 131 H CB 0.732 30.531 29.762 0.063 0.000 1.416 131 H HN 0.626 nan 8.280 nan 0.000 0.464 132 L N 5.931 127.118 121.223 -0.060 0.000 2.282 132 L HA 0.243 4.584 4.340 0.001 0.000 0.288 132 L C 0.242 176.917 176.870 -0.324 0.000 1.033 132 L CA -0.909 53.795 54.840 -0.226 0.000 0.807 132 L CB 1.131 43.129 42.059 -0.102 0.000 1.209 132 L HN 0.519 nan 8.230 nan 0.000 0.423 133 M N 3.156 122.447 119.600 -0.514 0.000 2.240 133 M HA 0.157 4.638 4.480 0.001 0.000 0.317 133 M C -2.012 174.135 176.300 -0.255 0.000 1.087 133 M CA -2.077 52.904 55.300 -0.531 0.000 1.176 133 M CB -0.904 31.140 32.600 -0.927 0.000 1.439 133 M HN 0.190 nan 8.290 nan 0.000 0.452 134 P HA -0.120 nan 4.420 nan 0.000 0.255 134 P C 0.148 177.394 177.300 -0.090 0.000 1.132 134 P CA 0.807 63.789 63.100 -0.197 0.000 0.766 134 P CB -0.033 31.431 31.700 -0.393 0.000 0.715 135 L N 1.992 123.169 121.223 -0.076 0.000 2.556 135 L HA 0.213 4.554 4.340 0.001 0.000 0.226 135 L C 0.812 177.442 176.870 -0.400 0.000 1.089 135 L CA 0.034 54.720 54.840 -0.256 0.000 0.864 135 L CB -0.162 41.645 42.059 -0.420 0.000 1.067 135 L HN 0.240 nan 8.230 nan 0.000 0.477 136 F N 0.317 120.254 119.950 -0.022 0.000 2.380 136 F HA 0.283 4.811 4.527 0.001 0.000 0.319 136 F C 0.981 176.741 175.800 -0.067 0.000 1.113 136 F CA -0.878 57.104 58.000 -0.030 0.000 1.056 136 F CB 0.462 39.451 39.000 -0.018 0.000 1.289 136 F HN -0.236 nan 8.300 nan 0.000 0.515 137 K N 1.519 121.988 120.400 0.115 0.000 2.550 137 K HA 0.154 4.475 4.320 0.001 0.000 0.280 137 K C -0.962 175.617 176.600 -0.034 0.000 0.987 137 K CA 0.138 56.426 56.287 0.002 0.000 1.048 137 K CB -0.186 32.293 32.500 -0.035 0.000 0.879 137 K HN 0.826 nan 8.250 nan 0.000 0.491 138 C N 1.852 121.125 119.300 -0.045 0.000 3.318 138 C HA 0.603 5.063 4.460 0.001 0.000 0.322 138 C C -2.883 172.062 174.990 -0.075 0.000 1.398 138 C CA -2.281 56.707 59.018 -0.049 0.000 1.339 138 C CB 0.830 28.566 27.740 -0.006 0.000 1.668 138 C HN 0.638 nan 8.230 nan 0.000 0.462 139 P HA 0.216 nan 4.420 nan 0.000 0.267 139 P C -0.378 176.844 177.300 -0.130 0.000 1.200 139 P CA 0.479 63.494 63.100 -0.142 0.000 0.772 139 P CB 0.381 31.946 31.700 -0.225 0.000 0.855 140 E N 1.128 121.257 120.200 -0.119 0.000 2.354 140 E HA 0.335 4.685 4.350 0.001 0.000 0.269 140 E C 1.145 177.673 176.600 -0.121 0.000 1.036 140 E CA 0.302 56.641 56.400 -0.101 0.000 0.876 140 E CB 0.292 29.941 29.700 -0.085 0.000 1.009 140 E HN 0.687 nan 8.360 nan 0.000 0.416 141 G N 3.727 112.463 108.800 -0.106 0.000 3.127 141 G HA2 -0.314 3.646 3.960 0.001 0.000 0.280 141 G HA3 -0.314 3.646 3.960 0.001 0.000 0.280 141 G C -0.377 174.453 174.900 -0.117 0.000 1.491 141 G CA -0.158 44.875 45.100 -0.111 0.000 1.029 141 G HN 0.473 nan 8.290 nan 0.000 0.582 142 K N 1.731 122.029 120.400 -0.171 0.000 2.253 142 K HA 0.558 4.878 4.320 0.001 0.000 0.277 142 K C 0.242 176.582 176.600 -0.433 0.000 1.053 142 K CA 0.433 56.609 56.287 -0.185 0.000 0.892 142 K CB 1.303 33.721 32.500 -0.138 0.000 1.102 142 K HN 0.739 nan 8.250 nan 0.000 0.469 143 S N 1.193 116.843 115.700 -0.084 0.000 3.082 143 S HA 0.013 4.484 4.470 0.001 0.000 0.253 143 S C -0.069 174.772 174.600 0.402 0.000 0.961 143 S CA -0.461 57.753 58.200 0.024 0.000 1.129 143 S CB -0.023 63.196 63.200 0.033 0.000 1.083 143 S HN 0.732 nan 8.310 nan 0.000 0.605 144 D N 1.966 122.692 120.400 0.543 0.000 2.708 144 D HA -0.143 4.498 4.640 0.001 0.000 0.236 144 D C 0.971 177.562 176.300 0.485 0.000 1.146 144 D CA 1.582 55.888 54.000 0.511 0.000 0.662 144 D CB -1.728 39.381 40.800 0.515 0.000 1.059 144 D HN 1.532 nan 8.370 nan 0.000 0.428 145 G N -0.786 108.326 108.800 0.520 0.000 2.305 145 G HA2 0.096 4.057 3.960 0.001 0.000 0.287 145 G HA3 0.096 4.057 3.960 0.001 0.000 0.287 145 G C 1.449 176.582 174.900 0.387 0.000 1.036 145 G CA 0.947 46.359 45.100 0.520 0.000 0.887 145 G HN 1.759 nan 8.290 nan 0.000 0.505 146 G N -2.060 106.901 108.800 0.269 0.000 2.195 146 G HA2 -0.330 3.631 3.960 0.001 0.000 0.246 146 G HA3 -0.330 3.631 3.960 0.001 0.000 0.246 146 G C 0.827 175.729 174.900 0.003 0.000 0.984 146 G CA 0.860 46.018 45.100 0.095 0.000 0.633 146 G HN 1.020 nan 8.290 nan 0.000 0.525 147 Y N 1.134 121.552 120.300 0.197 0.000 2.578 147 Y HA 0.490 5.040 4.550 0.001 0.000 0.297 147 Y C 1.931 177.980 175.900 0.247 0.000 1.176 147 Y CA 0.925 59.140 58.100 0.191 0.000 1.315 147 Y CB 0.506 39.076 38.460 0.183 0.000 1.031 147 Y HN 0.543 nan 8.280 nan 0.000 0.524 148 A N 0.707 123.736 122.820 0.349 0.000 2.540 148 A HA 0.537 4.858 4.320 0.001 0.000 0.340 148 A C -0.590 177.078 177.584 0.140 0.000 1.424 148 A CA -0.474 51.771 52.037 0.347 0.000 0.940 148 A CB -0.402 18.903 19.000 0.507 0.000 1.149 148 A HN 0.008 nan 8.150 nan 0.000 0.505 149 V N 2.207 122.146 119.914 0.042 0.000 2.530 149 V HA 0.157 4.278 4.120 0.001 0.000 0.282 149 V C 1.061 177.080 176.094 -0.125 0.000 1.048 149 V CA 0.415 62.639 62.300 -0.127 0.000 0.997 149 V CB 1.422 33.013 31.823 -0.387 0.000 0.987 149 V HN 0.861 nan 8.190 nan 0.000 0.477 150 S N 2.169 117.775 115.700 -0.156 0.000 2.524 150 S HA 0.190 4.661 4.470 0.001 0.000 0.215 150 S C 0.476 174.799 174.600 -0.462 0.000 0.986 150 S CA 0.281 58.347 58.200 -0.223 0.000 0.911 150 S CB 0.384 63.466 63.200 -0.195 0.000 0.805 150 S HN 0.795 nan 8.310 nan 0.000 0.501 151 S N -0.484 114.984 115.700 -0.387 0.000 2.570 151 S HA 0.429 4.899 4.470 0.001 0.000 0.286 151 S C -0.992 173.398 174.600 -0.349 0.000 1.143 151 S CA -0.563 57.395 58.200 -0.405 0.000 0.921 151 S CB 0.344 63.393 63.200 -0.251 0.000 1.108 151 S HN 0.210 nan 8.310 nan 0.000 0.456 152 Y N 3.065 123.225 120.300 -0.234 0.000 2.466 152 Y HA 0.336 4.886 4.550 0.001 0.000 0.272 152 Y C 2.170 177.619 175.900 -0.751 0.000 1.169 152 Y CA 0.061 57.912 58.100 -0.415 0.000 1.285 152 Y CB 0.349 38.663 38.460 -0.244 0.000 1.078 152 Y HN 0.530 nan 8.280 nan 0.000 0.523 153 R N -1.267 119.032 120.500 -0.335 0.000 2.435 153 R HA 0.109 4.450 4.340 0.001 0.000 0.221 153 R C -0.671 175.784 176.300 0.259 0.000 0.885 153 R CA 0.019 55.962 56.100 -0.262 0.000 1.018 153 R CB 0.596 30.506 30.300 -0.649 0.000 1.259 153 R HN 0.046 nan 8.270 nan 0.000 0.597 154 D N 2.154 122.700 120.400 0.244 0.000 2.313 154 D HA 0.153 4.794 4.640 0.001 0.000 0.239 154 D C -0.102 176.410 176.300 0.353 0.000 1.142 154 D CA -0.088 54.056 54.000 0.239 0.000 0.847 154 D CB 2.273 43.108 40.800 0.058 0.000 1.082 154 D HN -0.227 nan 8.370 nan 0.000 0.480 155 V N 3.178 123.192 119.914 0.167 0.000 2.740 155 V HA -0.055 4.066 4.120 0.001 0.000 0.303 155 V C 1.089 177.135 176.094 -0.080 0.000 1.054 155 V CA -0.577 61.637 62.300 -0.144 0.000 1.106 155 V CB 0.715 32.410 31.823 -0.214 0.000 0.957 155 V HN 0.495 nan 8.190 nan 0.000 0.486 156 N N 7.270 125.898 118.700 -0.120 0.000 2.414 156 N HA 0.017 4.758 4.740 0.001 0.000 0.268 156 N C -1.000 174.471 175.510 -0.064 0.000 1.286 156 N CA -1.409 51.600 53.050 -0.068 0.000 0.896 156 N CB 1.199 39.647 38.487 -0.066 0.000 1.093 156 N HN 0.386 nan 8.380 nan 0.000 0.480 157 P HA -0.182 nan 4.420 nan 0.000 0.218 157 P C 0.804 178.080 177.300 -0.040 0.000 1.146 157 P CA 1.218 64.293 63.100 -0.041 0.000 0.813 157 P CB 0.106 31.785 31.700 -0.035 0.000 0.778 158 A N -0.120 122.676 122.820 -0.039 0.000 1.972 158 A HA -0.103 4.217 4.320 0.001 0.000 0.219 158 A C 2.371 179.936 177.584 -0.032 0.000 1.169 158 A CA 1.228 53.246 52.037 -0.033 0.000 0.635 158 A CB -1.342 17.642 19.000 -0.028 0.000 0.810 158 A HN 0.188 nan 8.150 nan 0.000 0.446 159 L N -2.376 118.822 121.223 -0.041 0.000 2.307 159 L HA 0.336 4.676 4.340 0.001 0.000 0.211 159 L C 1.421 178.261 176.870 -0.050 0.000 1.099 159 L CA 0.532 55.346 54.840 -0.044 0.000 0.816 159 L CB -0.369 41.651 42.059 -0.065 0.000 0.952 159 L HN 0.612 nan 8.230 nan 0.000 0.455 160 G N -0.310 108.457 108.800 -0.056 0.000 2.291 160 G HA2 0.035 3.996 3.960 0.001 0.000 0.249 160 G HA3 0.035 3.996 3.960 0.001 0.000 0.249 160 G C -0.730 174.140 174.900 -0.049 0.000 1.340 160 G CA -0.169 44.902 45.100 -0.048 0.000 1.017 160 G HN 0.059 nan 8.290 nan 0.000 0.470 161 T N -1.836 112.696 114.554 -0.037 0.000 2.940 161 T HA 0.591 4.942 4.350 0.001 0.000 0.288 161 T C 1.358 176.050 174.700 -0.014 0.000 1.045 161 T CA 0.233 62.322 62.100 -0.020 0.000 1.018 161 T CB 1.921 70.787 68.868 -0.004 0.000 1.151 161 T HN 1.290 nan 8.240 nan 0.000 0.529 162 I N 1.486 122.074 120.570 0.029 0.000 2.361 162 I HA 0.098 4.269 4.170 0.001 0.000 0.251 162 I C 2.294 178.440 176.117 0.048 0.000 1.133 162 I CA 1.894 63.238 61.300 0.074 0.000 1.413 162 I CB -0.943 37.157 38.000 0.167 0.000 1.073 162 I HN 0.916 nan 8.210 nan 0.000 0.424 163 G N -0.181 108.639 108.800 0.033 0.000 2.418 163 G HA2 -0.245 3.715 3.960 0.001 0.000 0.217 163 G HA3 -0.245 3.715 3.960 0.001 0.000 0.217 163 G C 1.417 176.319 174.900 0.004 0.000 1.158 163 G CA 0.960 46.073 45.100 0.021 0.000 0.771 163 G HN 0.387 nan 8.290 nan 0.000 0.545 164 D N 0.196 120.591 120.400 -0.008 0.000 2.144 164 D HA -0.097 4.544 4.640 0.001 0.000 0.199 164 D C 2.406 178.689 176.300 -0.027 0.000 0.984 164 D CA 0.633 54.622 54.000 -0.020 0.000 0.834 164 D CB -0.230 40.553 40.800 -0.028 0.000 0.955 164 D HN 0.248 nan 8.370 nan 0.000 0.465 165 L N 1.400 122.602 121.223 -0.034 0.000 2.046 165 L HA -0.117 4.224 4.340 0.001 0.000 0.208 165 L C 2.209 179.060 176.870 -0.032 0.000 1.077 165 L CA 1.573 56.385 54.840 -0.047 0.000 0.747 165 L CB -0.296 41.726 42.059 -0.062 0.000 0.896 165 L HN -0.156 nan 8.230 nan 0.000 0.432 166 R N -0.439 120.054 120.500 -0.012 0.000 2.096 166 R HA -0.154 4.187 4.340 0.001 0.000 0.235 166 R C 2.140 178.427 176.300 -0.022 0.000 1.127 166 R CA 1.704 57.796 56.100 -0.013 0.000 0.968 166 R CB -0.354 29.949 30.300 0.005 0.000 0.861 166 R HN 0.548 nan 8.270 nan 0.000 0.440 167 E N 0.095 120.285 120.200 -0.017 0.000 2.077 167 E HA -0.147 4.204 4.350 0.001 0.000 0.193 167 E C 2.062 178.646 176.600 -0.026 0.000 0.989 167 E CA 1.227 57.617 56.400 -0.016 0.000 0.800 167 E CB 0.036 29.729 29.700 -0.011 0.000 0.746 167 E HN 0.099 nan 8.360 nan 0.000 0.452 168 V N 1.580 121.474 119.914 -0.033 0.000 2.295 168 V HA -0.260 3.861 4.120 0.001 0.000 0.246 168 V C 2.254 178.299 176.094 -0.081 0.000 1.049 168 V CA 1.505 63.783 62.300 -0.036 0.000 1.024 168 V CB -0.358 31.448 31.823 -0.029 0.000 0.648 168 V HN 0.267 nan 8.190 nan 0.000 0.447 169 I N 0.374 120.874 120.570 -0.117 0.000 2.179 169 I HA -0.264 3.907 4.170 0.001 0.000 0.242 169 I C 2.677 178.614 176.117 -0.299 0.000 1.088 169 I CA 1.582 62.736 61.300 -0.243 0.000 1.357 169 I CB -0.626 37.261 38.000 -0.188 0.000 1.051 169 I HN 0.306 nan 8.210 nan 0.000 0.409 170 A N 0.733 123.485 122.820 -0.113 0.000 1.902 170 A HA -0.173 4.148 4.320 0.001 0.000 0.217 170 A C 2.528 180.104 177.584 -0.014 0.000 1.181 170 A CA 1.918 53.944 52.037 -0.020 0.000 0.623 170 A CB -0.791 18.214 19.000 0.009 0.000 0.818 170 A HN 0.450 nan 8.150 nan 0.000 0.443 171 A N -0.441 122.361 122.820 -0.029 0.000 1.930 171 A HA 0.030 4.350 4.320 0.001 0.000 0.217 171 A C 2.162 179.748 177.584 0.003 0.000 1.175 171 A CA 1.358 53.395 52.037 -0.001 0.000 0.627 171 A CB -0.513 18.490 19.000 0.006 0.000 0.815 171 A HN 0.469 nan 8.150 nan 0.000 0.443 172 L N -1.348 119.841 121.223 -0.056 0.000 2.027 172 L HA -0.169 4.171 4.340 0.001 0.000 0.206 172 L C 2.646 179.515 176.870 -0.000 0.000 1.074 172 L CA 1.227 56.038 54.840 -0.049 0.000 0.745 172 L CB -0.755 41.216 42.059 -0.146 0.000 0.898 172 L HN 0.430 nan 8.230 nan 0.000 0.433 173 H N -0.622 118.447 119.070 -0.002 0.000 2.387 173 H HA -0.190 4.366 4.556 0.001 0.000 0.299 173 H C 2.120 177.444 175.328 -0.007 0.000 1.090 173 H CA 1.496 57.534 56.048 -0.017 0.000 1.332 173 H CB -0.118 29.625 29.762 -0.033 0.000 1.386 173 H HN 0.276 nan 8.280 nan 0.000 0.516 174 E N 0.977 121.251 120.200 0.123 0.000 2.153 174 E HA -0.054 4.296 4.350 0.001 0.000 0.194 174 E C 1.901 178.538 176.600 0.061 0.000 0.988 174 E CA 1.052 57.495 56.400 0.072 0.000 0.811 174 E CB -0.139 29.591 29.700 0.050 0.000 0.746 174 E HN 0.381 nan 8.360 nan 0.000 0.466 175 A N -0.753 122.108 122.820 0.069 0.000 2.251 175 A HA 0.419 4.739 4.320 0.001 0.000 0.209 175 A C 1.491 179.119 177.584 0.073 0.000 1.187 175 A CA 0.641 52.719 52.037 0.070 0.000 0.823 175 A CB -0.570 18.481 19.000 0.085 0.000 0.846 175 A HN 0.412 nan 8.150 nan 0.000 0.486 176 G N -0.516 108.330 108.800 0.076 0.000 2.182 176 G HA2 -0.208 3.752 3.960 0.001 0.000 0.248 176 G HA3 -0.208 3.752 3.960 0.001 0.000 0.248 176 G C -0.122 174.831 174.900 0.089 0.000 1.042 176 G CA 0.395 45.538 45.100 0.071 0.000 0.775 176 G HN 0.511 nan 8.290 nan 0.000 0.501 177 I N 0.934 121.565 120.570 0.101 0.000 2.436 177 I HA 0.353 4.524 4.170 0.001 0.000 0.289 177 I C 0.491 176.664 176.117 0.094 0.000 1.010 177 I CA -0.767 60.586 61.300 0.089 0.000 1.098 177 I CB 1.984 40.019 38.000 0.059 0.000 1.266 177 I HN 0.067 nan 8.210 nan 0.000 0.434 178 S N 4.212 119.968 115.700 0.093 0.000 2.565 178 S HA 0.493 4.964 4.470 0.001 0.000 0.276 178 S C 0.198 174.750 174.600 -0.080 0.000 1.326 178 S CA -0.637 57.604 58.200 0.069 0.000 1.045 178 S CB 1.226 64.483 63.200 0.095 0.000 0.918 178 S HN 0.682 nan 8.310 nan 0.000 0.505 179 A N 3.095 125.869 122.820 -0.077 0.000 2.274 179 A HA 0.617 4.938 4.320 0.001 0.000 0.309 179 A C -0.538 176.957 177.584 -0.148 0.000 1.226 179 A CA -0.566 51.383 52.037 -0.146 0.000 0.853 179 A CB 0.246 19.143 19.000 -0.170 0.000 1.146 179 A HN 0.613 nan 8.150 nan 0.000 0.518 180 V N 3.985 123.782 119.914 -0.196 0.000 2.487 180 V HA 0.626 4.747 4.120 0.001 0.000 0.298 180 V C 0.042 176.134 176.094 -0.004 0.000 1.028 180 V CA -0.396 61.788 62.300 -0.194 0.000 0.860 180 V CB 1.209 32.746 31.823 -0.478 0.000 0.991 180 V HN 1.091 nan 8.190 nan 0.000 0.427 181 V N 0.825 120.751 119.914 0.020 0.000 3.160 181 V HA 0.729 4.850 4.120 0.001 0.000 0.310 181 V C -0.790 175.368 176.094 0.107 0.000 1.181 181 V CA -1.051 61.325 62.300 0.128 0.000 1.047 181 V CB 2.267 34.182 31.823 0.153 0.000 1.068 181 V HN 0.721 nan 8.190 nan 0.000 0.441 182 D N 1.356 121.866 120.400 0.183 0.000 2.345 182 D HA 0.460 5.101 4.640 0.001 0.000 0.247 182 D C -1.102 175.336 176.300 0.230 0.000 1.108 182 D CA 0.336 54.444 54.000 0.180 0.000 0.894 182 D CB 1.182 42.075 40.800 0.156 0.000 1.203 182 D HN 0.609 nan 8.370 nan 0.000 0.430 183 F N 2.995 122.943 119.950 -0.003 0.000 2.359 183 F HA 0.383 4.911 4.527 0.001 0.000 0.370 183 F C -0.760 175.066 175.800 0.043 0.000 1.077 183 F CA -0.969 56.986 58.000 -0.075 0.000 1.136 183 F CB 0.270 39.058 39.000 -0.353 0.000 1.387 183 F HN 0.297 nan 8.300 nan 0.000 0.468 184 I N 7.590 128.137 120.570 -0.038 0.000 2.268 184 I HA -0.002 4.169 4.170 0.001 0.000 0.298 184 I C 0.441 176.515 176.117 -0.071 0.000 1.185 184 I CA -0.097 61.213 61.300 0.017 0.000 1.548 184 I CB -0.371 37.667 38.000 0.063 0.000 1.492 184 I HN 0.502 nan 8.210 nan 0.000 0.711 185 F N 2.753 122.409 119.950 -0.490 0.000 2.727 185 F HA 0.213 4.741 4.527 0.001 0.000 0.302 185 F C 1.413 177.227 175.800 0.022 0.000 1.097 185 F CA -0.317 57.428 58.000 -0.424 0.000 1.330 185 F CB -0.867 37.685 39.000 -0.746 0.000 1.084 185 F HN 0.335 nan 8.300 nan 0.000 0.578 186 N N 0.304 118.876 118.700 -0.214 0.000 2.405 186 N HA -0.061 4.679 4.740 0.001 0.000 0.175 186 N C -0.353 175.278 175.510 0.203 0.000 1.051 186 N CA 0.604 53.616 53.050 -0.062 0.000 0.899 186 N CB 0.169 38.726 38.487 0.117 0.000 1.000 186 N HN 0.583 nan 8.380 nan 0.000 0.451 187 H N -2.180 117.029 119.070 0.231 0.000 3.003 187 H HA 0.250 4.806 4.556 0.001 0.000 0.327 187 H C -1.139 174.362 175.328 0.289 0.000 1.353 187 H CA -0.690 55.544 56.048 0.310 0.000 1.142 187 H CB 0.995 30.962 29.762 0.342 0.000 1.864 187 H HN -0.016 nan 8.280 nan 0.000 0.529 188 T N -1.533 113.291 114.554 0.451 0.000 2.888 188 T HA 0.509 4.860 4.350 0.001 0.000 0.288 188 T C 0.302 175.139 174.700 0.227 0.000 1.063 188 T CA -0.339 61.891 62.100 0.217 0.000 1.010 188 T CB 1.547 70.435 68.868 0.033 0.000 1.214 188 T HN 0.850 nan 8.240 nan 0.000 0.533 189 S N 0.927 116.685 115.700 0.097 0.000 2.614 189 S HA 0.174 4.645 4.470 0.001 0.000 0.265 189 S C 1.108 175.564 174.600 -0.240 0.000 1.303 189 S CA -0.308 57.923 58.200 0.051 0.000 1.000 189 S CB 0.178 63.394 63.200 0.027 0.000 0.935 189 S HN 0.898 nan 8.310 nan 0.000 0.551 190 N N 0.323 118.760 118.700 -0.438 0.000 2.521 190 N HA -0.060 4.681 4.740 0.001 0.000 0.188 190 N C 0.596 175.732 175.510 -0.624 0.000 1.146 190 N CA 0.567 52.992 53.050 -1.041 0.000 0.893 190 N CB -0.483 37.468 38.487 -0.893 0.000 0.975 190 N HN 0.838 nan 8.380 nan 0.000 0.451 191 E N -0.928 119.072 120.200 -0.332 0.000 2.481 191 E HA 0.006 4.357 4.350 0.001 0.000 0.198 191 E C -0.427 176.040 176.600 -0.221 0.000 1.027 191 E CA -0.280 55.975 56.400 -0.243 0.000 0.900 191 E CB 0.075 29.667 29.700 -0.180 0.000 0.993 191 E HN 0.526 nan 8.360 nan 0.000 0.482 192 H N 1.201 120.089 119.070 -0.304 0.000 2.815 192 H HA -0.023 4.534 4.556 0.001 0.000 0.350 192 H C 1.406 176.571 175.328 -0.273 0.000 1.080 192 H CA 0.489 56.358 56.048 -0.299 0.000 1.433 192 H CB 0.862 30.449 29.762 -0.291 0.000 1.432 192 H HN -0.006 nan 8.280 nan 0.000 0.592 193 E N 3.457 123.427 120.200 -0.383 0.000 2.086 193 E HA -0.245 4.105 4.350 0.001 0.000 0.200 193 E C 1.072 177.622 176.600 -0.084 0.000 1.012 193 E CA 1.708 57.982 56.400 -0.210 0.000 0.812 193 E CB -0.026 29.527 29.700 -0.245 0.000 0.743 193 E HN 0.748 nan 8.360 nan 0.000 0.453 194 W N 0.218 121.486 121.300 -0.052 0.000 2.338 194 W HA -0.087 4.574 4.660 0.001 0.000 0.304 194 W C 2.494 178.987 176.519 -0.043 0.000 1.212 194 W CA 0.918 58.019 57.345 -0.407 0.000 1.264 194 W CB -1.388 28.100 29.460 0.047 0.000 1.142 194 W HN 0.222 nan 8.180 nan 0.000 0.512 195 A N 0.285 123.241 122.820 0.225 0.000 1.877 195 A HA -0.246 4.075 4.320 0.001 0.000 0.216 195 A C 2.017 179.531 177.584 -0.116 0.000 1.186 195 A CA 1.966 53.873 52.037 -0.217 0.000 0.620 195 A CB -0.945 17.630 19.000 -0.709 0.000 0.822 195 A HN 0.395 nan 8.150 nan 0.000 0.443 196 Q N -0.671 119.043 119.800 -0.144 0.000 2.050 196 Q HA -0.175 4.165 4.340 0.001 0.000 0.202 196 Q C 2.381 178.375 176.000 -0.011 0.000 0.980 196 Q CA 1.729 57.480 55.803 -0.086 0.000 0.840 196 Q CB -0.206 28.464 28.738 -0.114 0.000 0.898 196 Q HN 0.618 nan 8.270 nan 0.000 0.424 197 R N -0.181 120.284 120.500 -0.058 0.000 2.092 197 R HA -0.116 4.225 4.340 0.001 0.000 0.231 197 R C 2.573 178.941 176.300 0.114 0.000 1.119 197 R CA 1.198 57.289 56.100 -0.015 0.000 0.970 197 R CB -0.663 29.543 30.300 -0.158 0.000 0.864 197 R HN 0.344 nan 8.270 nan 0.000 0.440 198 C N 0.651 120.062 119.300 0.185 0.000 2.436 198 C HA -0.031 4.429 4.460 0.001 0.000 0.277 198 C C 2.941 178.075 174.990 0.240 0.000 1.241 198 C CA 1.146 60.351 59.018 0.312 0.000 1.721 198 C CB -0.939 27.127 27.740 0.543 0.000 2.043 198 C HN 0.575 nan 8.230 nan 0.000 0.472 199 A N 0.202 123.169 122.820 0.246 0.000 1.972 199 A HA 0.112 4.432 4.320 0.001 0.000 0.219 199 A C 2.362 180.028 177.584 0.136 0.000 1.169 199 A CA 2.077 54.240 52.037 0.211 0.000 0.635 199 A CB -1.022 18.166 19.000 0.313 0.000 0.810 199 A HN 0.945 nan 8.150 nan 0.000 0.446 200 A N -1.920 120.968 122.820 0.113 0.000 2.168 200 A HA 0.365 4.686 4.320 0.001 0.000 0.215 200 A C 1.873 179.503 177.584 0.077 0.000 1.152 200 A CA 1.403 53.487 52.037 0.078 0.000 0.716 200 A CB -0.853 18.181 19.000 0.056 0.000 0.794 200 A HN 1.919 nan 8.150 nan 0.000 0.465 201 G N -0.599 108.260 108.800 0.097 0.000 2.141 201 G HA2 -0.213 3.747 3.960 0.001 0.000 0.231 201 G HA3 -0.213 3.747 3.960 0.001 0.000 0.231 201 G C -0.133 174.816 174.900 0.082 0.000 0.984 201 G CA 0.213 45.364 45.100 0.085 0.000 0.660 201 G HN 0.591 nan 8.290 nan 0.000 0.525 202 D N 1.181 121.642 120.400 0.103 0.000 2.382 202 D HA 0.240 4.880 4.640 0.001 0.000 0.259 202 D C 0.188 176.541 176.300 0.089 0.000 1.224 202 D CA -1.210 52.851 54.000 0.101 0.000 0.894 202 D CB 1.328 42.220 40.800 0.153 0.000 1.127 202 D HN 0.216 nan 8.370 nan 0.000 0.487 203 P HA -0.177 nan 4.420 nan 0.000 0.221 203 P C 1.603 178.858 177.300 -0.076 0.000 1.145 203 P CA 0.283 63.381 63.100 -0.002 0.000 0.795 203 P CB 0.374 32.063 31.700 -0.018 0.000 0.775 204 L N -1.393 119.757 121.223 -0.122 0.000 2.201 204 L HA 0.046 4.387 4.340 0.001 0.000 0.212 204 L C 1.410 177.859 176.870 -0.701 0.000 1.105 204 L CA 1.632 56.248 54.840 -0.375 0.000 0.775 204 L CB -1.075 40.772 42.059 -0.355 0.000 0.913 204 L HN -0.208 nan 8.230 nan 0.000 0.440 205 F N -0.907 118.915 119.950 -0.214 0.000 2.791 205 F HA 0.262 4.790 4.527 0.001 0.000 0.308 205 F C 0.534 176.360 175.800 0.043 0.000 1.138 205 F CA -1.156 56.634 58.000 -0.349 0.000 1.294 205 F CB -0.210 38.541 39.000 -0.416 0.000 0.975 205 F HN -0.026 nan 8.300 nan 0.000 0.512 206 D N 0.469 120.960 120.400 0.153 0.000 2.455 206 D HA -0.030 4.611 4.640 0.001 0.000 0.241 206 D C 0.848 177.298 176.300 0.250 0.000 1.138 206 D CA 0.879 54.987 54.000 0.180 0.000 0.877 206 D CB 0.372 41.229 40.800 0.096 0.000 1.187 206 D HN 0.144 nan 8.370 nan 0.000 0.451 207 N N 2.220 121.035 118.700 0.191 0.000 2.735 207 N HA -0.253 4.488 4.740 0.001 0.000 0.248 207 N C -0.284 175.263 175.510 0.063 0.000 1.083 207 N CA 0.376 53.478 53.050 0.087 0.000 0.703 207 N CB -1.326 37.173 38.487 0.021 0.000 1.005 207 N HN 0.388 nan 8.380 nan 0.000 0.550 208 F N -1.021 118.932 119.950 0.006 0.000 2.743 208 F HA 0.264 4.792 4.527 0.001 0.000 0.297 208 F C 0.514 176.004 175.800 -0.517 0.000 1.131 208 F CA 0.622 58.515 58.000 -0.179 0.000 1.426 208 F CB 0.145 39.166 39.000 0.035 0.000 1.116 208 F HN 0.139 nan 8.300 nan 0.000 0.583 209 Y N -3.132 117.225 120.300 0.095 0.000 2.805 209 Y HA 0.412 4.962 4.550 0.001 0.000 0.323 209 Y C -1.193 174.598 175.900 -0.183 0.000 1.279 209 Y CA -1.824 56.297 58.100 0.036 0.000 1.103 209 Y CB 0.510 39.146 38.460 0.293 0.000 1.324 209 Y HN -0.339 nan 8.280 nan 0.000 0.498 210 Y N 1.789 122.234 120.300 0.242 0.000 2.593 210 Y HA 0.555 5.106 4.550 0.001 0.000 0.331 210 Y C -0.581 175.295 175.900 -0.039 0.000 0.986 210 Y CA -0.498 57.658 58.100 0.094 0.000 1.262 210 Y CB 0.369 39.069 38.460 0.400 0.000 1.098 210 Y HN 0.148 nan 8.280 nan 0.000 0.506 211 I N 4.098 124.542 120.570 -0.210 0.000 2.474 211 I HA 0.456 4.626 4.170 0.001 0.000 0.294 211 I C -0.903 174.939 176.117 -0.459 0.000 1.005 211 I CA -0.754 60.436 61.300 -0.183 0.000 1.113 211 I CB 1.503 39.461 38.000 -0.069 0.000 1.289 211 I HN 0.298 nan 8.210 nan 0.000 0.436 212 F N 5.774 125.836 119.950 0.186 0.000 2.561 212 F HA 0.464 4.991 4.527 0.001 0.000 0.321 212 F C -1.573 174.318 175.800 0.151 0.000 1.065 212 F CA -1.742 56.349 58.000 0.151 0.000 0.934 212 F CB 1.149 40.207 39.000 0.096 0.000 1.215 212 F HN 0.287 nan 8.300 nan 0.000 0.471 213 P HA -0.024 nan 4.420 nan 0.000 0.222 213 P C -0.648 176.802 177.300 0.250 0.000 1.153 213 P CA 1.353 64.577 63.100 0.206 0.000 0.798 213 P CB 0.345 32.130 31.700 0.142 0.000 0.796 214 D N -2.951 117.596 120.400 0.246 0.000 2.921 214 D HA 0.202 4.842 4.640 0.001 0.000 0.329 214 D C 0.743 176.960 176.300 -0.139 0.000 1.293 214 D CA -0.729 53.380 54.000 0.181 0.000 0.964 214 D CB 0.066 40.909 40.800 0.072 0.000 1.435 214 D HN -0.395 nan 8.370 nan 0.000 0.548 215 R N -0.297 119.984 120.500 -0.365 0.000 2.313 215 R HA 0.176 4.517 4.340 0.001 0.000 0.199 215 R C 1.790 177.790 176.300 -0.500 0.000 0.958 215 R CA 0.101 55.791 56.100 -0.682 0.000 1.047 215 R CB -0.524 29.372 30.300 -0.674 0.000 0.955 215 R HN 0.509 nan 8.270 nan 0.000 0.481 216 R N 0.474 120.783 120.500 -0.318 0.000 2.097 216 R HA -0.121 4.220 4.340 0.001 0.000 0.236 216 R C 1.815 177.891 176.300 -0.372 0.000 1.135 216 R CA 1.657 57.595 56.100 -0.270 0.000 0.934 216 R CB 0.012 30.220 30.300 -0.154 0.000 0.846 216 R HN 0.005 nan 8.270 nan 0.000 0.431 217 M N -0.531 118.806 119.600 -0.438 0.000 2.156 217 M HA 0.001 4.482 4.480 0.001 0.000 0.264 217 M C -0.736 175.059 176.300 -0.843 0.000 1.067 217 M CA 1.144 56.078 55.300 -0.609 0.000 1.131 217 M CB -1.445 30.830 32.600 -0.541 0.000 1.368 217 M HN 0.038 nan 8.290 nan 0.000 0.416 218 P HA -0.145 nan 4.420 nan 0.000 0.216 218 P C 0.890 177.689 177.300 -0.836 0.000 1.153 218 P CA 1.342 63.489 63.100 -1.588 0.000 0.858 218 P CB -0.072 30.564 31.700 -1.773 0.000 0.789 219 D N -1.000 119.021 120.400 -0.632 0.000 2.117 219 D HA -0.160 4.481 4.640 0.001 0.000 0.197 219 D C 2.086 178.199 176.300 -0.311 0.000 0.987 219 D CA 1.141 54.899 54.000 -0.404 0.000 0.829 219 D CB -0.543 40.053 40.800 -0.341 0.000 0.961 219 D HN 0.295 nan 8.370 nan 0.000 0.460 220 Q N -0.778 118.804 119.800 -0.364 0.000 2.084 220 Q HA -0.165 4.176 4.340 0.001 0.000 0.202 220 Q C 2.061 177.906 176.000 -0.259 0.000 0.978 220 Q CA 1.006 56.618 55.803 -0.318 0.000 0.844 220 Q CB -0.154 28.341 28.738 -0.405 0.000 0.898 220 Q HN 0.396 nan 8.270 nan 0.000 0.426 221 Y N 1.186 121.328 120.300 -0.263 0.000 2.181 221 Y HA -0.192 4.358 4.550 0.001 0.000 0.288 221 Y C 1.921 177.764 175.900 -0.094 0.000 1.146 221 Y CA 1.145 59.154 58.100 -0.152 0.000 1.164 221 Y CB -0.209 38.120 38.460 -0.218 0.000 0.982 221 Y HN 0.108 nan 8.280 nan 0.000 0.515 222 D N -0.336 120.084 120.400 0.033 0.000 2.311 222 D HA -0.134 4.507 4.640 0.001 0.000 0.212 222 D C 2.016 178.308 176.300 -0.013 0.000 0.972 222 D CA 0.820 54.823 54.000 0.005 0.000 0.887 222 D CB -0.209 40.561 40.800 -0.050 0.000 0.915 222 D HN 0.343 nan 8.370 nan 0.000 0.497 223 R N -0.442 120.040 120.500 -0.030 0.000 2.120 223 R HA -0.070 4.270 4.340 0.001 0.000 0.234 223 R C 1.679 177.980 176.300 0.002 0.000 1.123 223 R CA 1.606 57.689 56.100 -0.029 0.000 0.975 223 R CB -0.167 30.106 30.300 -0.046 0.000 0.866 223 R HN 0.252 nan 8.270 nan 0.000 0.446 224 T N -2.809 111.766 114.554 0.034 0.000 3.084 224 T HA 0.327 4.677 4.350 0.001 0.000 0.270 224 T C 0.422 175.163 174.700 0.069 0.000 1.008 224 T CA -0.352 61.779 62.100 0.052 0.000 0.900 224 T CB 0.223 69.134 68.868 0.070 0.000 1.084 224 T HN -0.089 nan 8.240 nan 0.000 0.538 225 L N 2.051 123.312 121.223 0.062 0.000 2.334 225 L HA 0.557 4.897 4.340 0.001 0.000 0.277 225 L C 0.504 177.387 176.870 0.020 0.000 1.075 225 L CA -1.148 53.727 54.840 0.059 0.000 0.804 225 L CB 1.346 43.425 42.059 0.035 0.000 1.174 225 L HN 0.160 nan 8.230 nan 0.000 0.438 226 R N 2.271 122.788 120.500 0.028 0.000 2.357 226 R HA 0.235 4.576 4.340 0.001 0.000 0.296 226 R C -0.631 175.633 176.300 -0.060 0.000 1.052 226 R CA -0.502 55.598 56.100 -0.000 0.000 0.988 226 R CB 0.837 31.156 30.300 0.032 0.000 1.025 226 R HN 0.570 nan 8.270 nan 0.000 0.469 227 E N 4.926 125.070 120.200 -0.093 0.000 2.194 227 E HA 0.078 4.429 4.350 0.001 0.000 0.284 227 E C 0.566 177.041 176.600 -0.207 0.000 1.035 227 E CA -0.526 55.773 56.400 -0.168 0.000 0.836 227 E CB 1.136 30.746 29.700 -0.150 0.000 1.070 227 E HN 0.536 nan 8.360 nan 0.000 0.401 228 I N 1.888 122.244 120.570 -0.356 0.000 2.429 228 I HA -0.055 4.115 4.170 0.001 0.000 0.247 228 I C 0.719 176.621 176.117 -0.358 0.000 1.099 228 I CA 0.996 62.013 61.300 -0.470 0.000 1.422 228 I CB -0.167 37.287 38.000 -0.909 0.000 1.112 228 I HN 0.431 nan 8.210 nan 0.000 0.430 229 F N 2.909 122.712 119.950 -0.243 0.000 2.471 229 F HA 0.379 4.907 4.527 0.001 0.000 0.318 229 F C -1.459 174.147 175.800 -0.323 0.000 1.308 229 F CA -3.361 54.490 58.000 -0.249 0.000 1.162 229 F CB -0.302 38.611 39.000 -0.146 0.000 1.383 229 F HN -0.046 nan 8.300 nan 0.000 0.552 230 P HA -0.172 nan 4.420 nan 0.000 0.221 230 P C 0.762 178.001 177.300 -0.101 0.000 1.145 230 P CA 1.359 64.368 63.100 -0.152 0.000 0.795 230 P CB 0.533 32.150 31.700 -0.139 0.000 0.775 231 D N -0.740 119.612 120.400 -0.080 0.000 2.178 231 D HA -0.117 4.524 4.640 0.001 0.000 0.202 231 D C 2.249 178.551 176.300 0.005 0.000 0.974 231 D CA 0.992 54.970 54.000 -0.037 0.000 0.841 231 D CB -0.245 40.521 40.800 -0.057 0.000 0.953 231 D HN 0.163 nan 8.370 nan 0.000 0.478 232 Q N -0.293 119.506 119.800 -0.002 0.000 2.123 232 Q HA 0.035 4.376 4.340 0.001 0.000 0.196 232 Q C 0.390 176.477 176.000 0.145 0.000 0.958 232 Q CA 1.108 56.957 55.803 0.076 0.000 0.841 232 Q CB 0.085 28.898 28.738 0.126 0.000 0.915 232 Q HN 0.596 nan 8.270 nan 0.000 0.455 233 H N -3.261 115.848 119.070 0.066 0.000 3.005 233 H HA 0.463 5.019 4.556 0.001 0.000 0.311 233 H C -2.985 172.362 175.328 0.033 0.000 1.366 233 H CA -1.827 54.259 56.048 0.064 0.000 1.210 233 H CB 0.559 30.371 29.762 0.083 0.000 1.894 233 H HN -0.235 nan 8.280 nan 0.000 0.520 234 P HA 0.395 nan 4.420 nan 0.000 0.279 234 P C 0.722 178.117 177.300 0.159 0.000 1.252 234 P CA 0.965 64.110 63.100 0.075 0.000 0.811 234 P CB 1.241 32.978 31.700 0.061 0.000 1.035 235 G N 1.221 110.044 108.800 0.037 0.000 2.578 235 G HA2 -0.169 3.791 3.960 0.001 0.000 0.275 235 G HA3 -0.169 3.791 3.960 0.001 0.000 0.275 235 G C 0.578 175.490 174.900 0.021 0.000 1.271 235 G CA 0.033 45.151 45.100 0.029 0.000 0.941 235 G HN 0.810 nan 8.290 nan 0.000 0.564 236 G N -1.324 107.374 108.800 -0.171 0.000 3.774 236 G HA2 0.583 4.544 3.960 0.001 0.000 0.287 236 G HA3 0.583 4.544 3.960 0.001 0.000 0.287 236 G C -0.220 174.026 174.900 -1.090 0.000 1.030 236 G CA 0.005 44.760 45.100 -0.575 0.000 0.824 236 G HN 0.516 nan 8.290 nan 0.000 0.518 237 F N -0.067 119.737 119.950 -0.244 0.000 2.588 237 F HA 0.725 5.253 4.527 0.001 0.000 0.314 237 F C 0.183 175.945 175.800 -0.063 0.000 1.069 237 F CA -0.977 56.919 58.000 -0.172 0.000 0.931 237 F CB 2.321 41.244 39.000 -0.128 0.000 1.260 237 F HN -0.161 nan 8.300 nan 0.000 0.465 238 S N 0.323 116.124 115.700 0.168 0.000 2.568 238 S HA 0.449 4.920 4.470 0.001 0.000 0.293 238 S C -1.286 173.230 174.600 -0.140 0.000 1.089 238 S CA -0.845 57.362 58.200 0.012 0.000 0.945 238 S CB 2.140 65.259 63.200 -0.135 0.000 1.077 238 S HN 0.623 nan 8.310 nan 0.000 0.485 239 Q N 2.051 121.481 119.800 -0.615 0.000 2.241 239 Q HA 0.560 4.900 4.340 0.001 0.000 0.254 239 Q C -1.086 174.621 176.000 -0.488 0.000 0.917 239 Q CA -0.590 54.563 55.803 -1.084 0.000 0.919 239 Q CB 0.661 28.333 28.738 -1.777 0.000 1.237 239 Q HN 0.604 nan 8.270 nan 0.000 0.434 240 L N 2.715 123.705 121.223 -0.388 0.000 2.468 240 L HA 0.156 4.497 4.340 0.001 0.000 0.254 240 L C 1.194 177.978 176.870 -0.145 0.000 1.171 240 L CA -0.184 54.562 54.840 -0.157 0.000 0.809 240 L CB 0.506 42.511 42.059 -0.091 0.000 1.155 240 L HN 0.824 nan 8.230 nan 0.000 0.473 241 E N 0.395 120.565 120.200 -0.050 0.000 2.268 241 E HA -0.206 4.145 4.350 0.001 0.000 0.195 241 E C 0.716 177.291 176.600 -0.042 0.000 0.995 241 E CA 1.312 57.688 56.400 -0.041 0.000 0.836 241 E CB -0.031 29.667 29.700 -0.003 0.000 0.763 241 E HN 0.722 nan 8.360 nan 0.000 0.491 242 D N -1.217 119.162 120.400 -0.036 0.000 2.340 242 D HA 0.071 4.712 4.640 0.001 0.000 0.220 242 D C 1.252 177.529 176.300 -0.037 0.000 1.039 242 D CA 0.630 54.617 54.000 -0.021 0.000 0.866 242 D CB 0.511 41.312 40.800 0.003 0.000 0.913 242 D HN 0.168 nan 8.370 nan 0.000 0.523 243 G N -0.161 108.581 108.800 -0.096 0.000 2.254 243 G HA2 -0.291 3.669 3.960 0.001 0.000 0.225 243 G HA3 -0.291 3.669 3.960 0.001 0.000 0.225 243 G C 0.482 175.292 174.900 -0.151 0.000 1.003 243 G CA -0.225 44.809 45.100 -0.110 0.000 0.622 243 G HN 0.400 nan 8.290 nan 0.000 0.507 244 R N -0.778 119.658 120.500 -0.107 0.000 2.707 244 R HA 0.470 4.810 4.340 0.001 0.000 0.270 244 R C -0.450 175.736 176.300 -0.191 0.000 1.083 244 R CA 0.010 56.098 56.100 -0.019 0.000 1.182 244 R CB 0.393 30.707 30.300 0.023 0.000 1.084 244 R HN 0.256 nan 8.270 nan 0.000 0.528 245 W N 0.372 121.708 121.300 0.060 0.000 2.666 245 W HA 0.518 5.179 4.660 0.001 0.000 0.334 245 W C -0.639 175.968 176.519 0.145 0.000 1.051 245 W CA -0.492 56.899 57.345 0.077 0.000 1.224 245 W CB 1.552 31.044 29.460 0.052 0.000 1.405 245 W HN 0.149 nan 8.180 nan 0.000 0.513 246 V N 3.658 123.724 119.914 0.254 0.000 2.823 246 V HA 0.488 4.608 4.120 0.001 0.000 0.312 246 V C -1.175 175.099 176.094 0.300 0.000 1.072 246 V CA -1.036 61.332 62.300 0.113 0.000 0.937 246 V CB 1.692 33.124 31.823 -0.651 0.000 1.013 246 V HN 0.611 nan 8.190 nan 0.000 0.430 247 W N 5.425 126.855 121.300 0.217 0.000 2.368 247 W HA 0.450 5.111 4.660 0.001 0.000 0.316 247 W C -0.120 176.292 176.519 -0.178 0.000 1.375 247 W CA 0.350 57.608 57.345 -0.145 0.000 1.261 247 W CB 0.889 30.287 29.460 -0.103 0.000 1.298 247 W HN 0.778 nan 8.180 nan 0.000 0.539 248 T N 1.779 116.329 114.554 -0.007 0.000 3.133 248 T HA 0.140 4.490 4.350 0.001 0.000 0.368 248 T C 0.695 175.376 174.700 -0.031 0.000 1.190 248 T CA -0.499 61.626 62.100 0.042 0.000 1.282 248 T CB 0.902 69.740 68.868 -0.051 0.000 1.042 248 T HN 0.258 nan 8.240 nan 0.000 0.536 249 T N 2.348 116.851 114.554 -0.084 0.000 2.759 249 T HA 0.067 4.418 4.350 0.001 0.000 0.269 249 T C 0.450 174.671 174.700 -0.799 0.000 1.042 249 T CA 1.556 63.348 62.100 -0.514 0.000 1.140 249 T CB -0.310 67.989 68.868 -0.948 0.000 0.864 249 T HN 0.578 nan 8.240 nan 0.000 0.455 250 F N 0.435 120.232 119.950 -0.254 0.000 2.812 250 F HA 0.376 4.904 4.527 0.001 0.000 0.156 250 F C 1.085 176.961 175.800 0.128 0.000 1.267 250 F CA -1.165 56.695 58.000 -0.234 0.000 0.923 250 F CB -0.478 38.334 39.000 -0.314 0.000 2.108 250 F HN -0.181 nan 8.300 nan 0.000 0.583 251 N N 0.021 118.885 118.700 0.274 0.000 2.399 251 N HA 0.092 4.832 4.740 0.001 0.000 0.250 251 N C 0.884 176.308 175.510 -0.144 0.000 1.272 251 N CA 0.563 53.551 53.050 -0.104 0.000 0.928 251 N CB 0.720 38.611 38.487 -0.993 0.000 1.158 251 N HN 0.415 nan 8.380 nan 0.000 0.463 252 S N 0.233 115.880 115.700 -0.088 0.000 2.442 252 S HA -0.171 4.300 4.470 0.001 0.000 0.236 252 S C 1.164 175.882 174.600 0.198 0.000 1.007 252 S CA 0.915 59.135 58.200 0.033 0.000 0.965 252 S CB -0.662 62.597 63.200 0.099 0.000 0.773 252 S HN 0.638 nan 8.310 nan 0.000 0.504 253 F N 0.836 120.947 119.950 0.268 0.000 2.692 253 F HA 0.536 5.064 4.527 0.001 0.000 0.303 253 F C 0.436 176.349 175.800 0.189 0.000 1.114 253 F CA -1.057 57.062 58.000 0.198 0.000 1.361 253 F CB -0.762 38.304 39.000 0.111 0.000 1.063 253 F HN 0.115 nan 8.300 nan 0.000 0.550 254 Q N 1.056 120.995 119.800 0.232 0.000 2.363 254 Q HA 0.213 4.554 4.340 0.001 0.000 0.265 254 Q C -1.616 174.694 176.000 0.516 0.000 1.032 254 Q CA -0.609 55.384 55.803 0.317 0.000 0.746 254 Q CB 1.056 29.865 28.738 0.119 0.000 1.237 254 Q HN 0.231 nan 8.270 nan 0.000 0.475 255 W N 2.169 123.632 121.300 0.272 0.000 2.335 255 W HA 0.249 4.909 4.660 0.001 0.000 0.307 255 W C -0.322 176.515 176.519 0.531 0.000 1.117 255 W CA -1.361 56.183 57.345 0.333 0.000 1.228 255 W CB 0.469 30.027 29.460 0.162 0.000 1.240 255 W HN 0.477 nan 8.180 nan 0.000 0.468 256 D N 2.622 123.403 120.400 0.635 0.000 2.450 256 D HA 0.110 4.751 4.640 0.001 0.000 0.247 256 D C 0.249 176.841 176.300 0.488 0.000 1.162 256 D CA 0.266 54.557 54.000 0.484 0.000 0.879 256 D CB 0.643 41.536 40.800 0.154 0.000 1.163 256 D HN 0.067 nan 8.370 nan 0.000 0.472 257 L N 2.516 123.897 121.223 0.264 0.000 2.426 257 L HA 0.112 4.453 4.340 0.001 0.000 0.271 257 L C 1.006 177.768 176.870 -0.181 0.000 1.169 257 L CA -0.048 54.705 54.840 -0.145 0.000 0.836 257 L CB 0.366 42.288 42.059 -0.227 0.000 1.112 257 L HN 0.395 nan 8.230 nan 0.000 0.465 258 N N 1.288 119.669 118.700 -0.532 0.000 2.602 258 N HA 0.088 4.828 4.740 0.001 0.000 0.238 258 N C 0.118 175.352 175.510 -0.461 0.000 1.084 258 N CA -0.343 52.291 53.050 -0.692 0.000 0.952 258 N CB 0.317 38.205 38.487 -0.998 0.000 1.244 258 N HN 0.478 nan 8.380 nan 0.000 0.512 259 Y N 0.828 121.085 120.300 -0.072 0.000 2.632 259 Y HA -0.102 4.448 4.550 0.001 0.000 0.301 259 Y C 2.413 178.477 175.900 0.274 0.000 1.172 259 Y CA 0.396 58.582 58.100 0.144 0.000 1.328 259 Y CB 0.141 38.790 38.460 0.314 0.000 1.016 259 Y HN 0.584 nan 8.280 nan 0.000 0.529 260 S N -0.922 114.830 115.700 0.085 0.000 2.561 260 S HA -0.068 4.402 4.470 0.001 0.000 0.225 260 S C 0.665 175.411 174.600 0.244 0.000 0.977 260 S CA 0.077 58.365 58.200 0.147 0.000 0.926 260 S CB -0.333 62.748 63.200 -0.197 0.000 0.769 260 S HN 0.307 nan 8.310 nan 0.000 0.533 261 N N 2.742 121.470 118.700 0.046 0.000 2.457 261 N HA 0.324 5.064 4.740 0.001 0.000 0.250 261 N C -1.734 173.666 175.510 -0.183 0.000 0.982 261 N CA -2.511 50.489 53.050 -0.083 0.000 0.941 261 N CB 1.694 40.061 38.487 -0.200 0.000 1.120 261 N HN -0.017 nan 8.380 nan 0.000 0.505 262 P HA -0.126 nan 4.420 nan 0.000 0.218 262 P C 0.794 177.749 177.300 -0.575 0.000 1.146 262 P CA 1.252 63.796 63.100 -0.926 0.000 0.813 262 P CB 0.013 30.879 31.700 -1.390 0.000 0.778 263 W N -0.382 120.768 121.300 -0.251 0.000 2.465 263 W HA -0.048 4.612 4.660 0.001 0.000 0.268 263 W C 2.282 178.584 176.519 -0.362 0.000 1.242 263 W CA -0.024 57.195 57.345 -0.210 0.000 1.248 263 W CB -0.854 28.524 29.460 -0.136 0.000 1.118 263 W HN -0.223 nan 8.180 nan 0.000 0.587 264 V N -0.168 119.482 119.914 -0.439 0.000 2.488 264 V HA -0.275 3.845 4.120 0.001 0.000 0.246 264 V C 1.815 177.782 176.094 -0.211 0.000 1.046 264 V CA 1.572 63.441 62.300 -0.717 0.000 1.053 264 V CB -0.893 30.356 31.823 -0.957 0.000 0.679 264 V HN 0.184 nan 8.190 nan 0.000 0.458 265 F N 1.029 120.935 119.950 -0.073 0.000 2.102 265 F HA -0.148 4.380 4.527 0.001 0.000 0.298 265 F C 2.650 178.529 175.800 0.131 0.000 1.105 265 F CA 1.835 59.944 58.000 0.181 0.000 1.239 265 F CB -0.250 38.832 39.000 0.137 0.000 0.991 265 F HN -0.091 nan 8.300 nan 0.000 0.474 266 R N 1.124 121.708 120.500 0.141 0.000 2.091 266 R HA -0.168 4.173 4.340 0.001 0.000 0.238 266 R C 2.266 178.628 176.300 0.104 0.000 1.136 266 R CA 1.528 57.702 56.100 0.124 0.000 0.959 266 R CB -1.129 29.305 30.300 0.224 0.000 0.856 266 R HN 0.437 nan 8.270 nan 0.000 0.437 267 A N 0.752 123.627 122.820 0.092 0.000 1.883 267 A HA -0.157 4.164 4.320 0.001 0.000 0.217 267 A C 2.195 179.908 177.584 0.215 0.000 1.186 267 A CA 1.645 53.742 52.037 0.100 0.000 0.624 267 A CB -0.351 18.571 19.000 -0.129 0.000 0.822 267 A HN 0.224 nan 8.150 nan 0.000 0.444 268 M N -0.562 119.166 119.600 0.213 0.000 2.319 268 M HA 0.028 4.508 4.480 0.001 0.000 0.265 268 M C 2.399 178.956 176.300 0.429 0.000 1.068 268 M CA 1.194 56.703 55.300 0.349 0.000 1.118 268 M CB -1.496 31.415 32.600 0.519 0.000 1.395 268 M HN 0.487 nan 8.290 nan 0.000 0.435 269 A N 0.169 123.138 122.820 0.249 0.000 1.969 269 A HA 0.055 4.376 4.320 0.001 0.000 0.218 269 A C 2.414 180.120 177.584 0.203 0.000 1.169 269 A CA 1.749 53.905 52.037 0.199 0.000 0.635 269 A CB -1.289 17.635 19.000 -0.128 0.000 0.810 269 A HN 0.487 nan 8.150 nan 0.000 0.445 270 G N -0.326 108.594 108.800 0.200 0.000 2.418 270 G HA2 -0.177 3.784 3.960 0.001 0.000 0.217 270 G HA3 -0.177 3.784 3.960 0.001 0.000 0.217 270 G C 1.350 176.395 174.900 0.240 0.000 1.158 270 G CA 0.950 46.177 45.100 0.212 0.000 0.771 270 G HN 0.467 nan 8.290 nan 0.000 0.545 271 E N -0.004 120.347 120.200 0.252 0.000 2.106 271 E HA -0.086 4.265 4.350 0.001 0.000 0.192 271 E C 2.307 179.084 176.600 0.295 0.000 0.984 271 E CA 0.587 57.133 56.400 0.242 0.000 0.806 271 E CB -0.406 29.311 29.700 0.029 0.000 0.750 271 E HN 0.539 nan 8.360 nan 0.000 0.458 272 M N 0.285 120.024 119.600 0.232 0.000 2.117 272 M HA -0.125 4.355 4.480 0.001 0.000 0.262 272 M C 2.054 178.380 176.300 0.045 0.000 1.065 272 M CA 1.186 56.460 55.300 -0.042 0.000 1.114 272 M CB 0.012 32.432 32.600 -0.300 0.000 1.361 272 M HN 0.047 nan 8.290 nan 0.000 0.408 273 L N -0.565 120.739 121.223 0.134 0.000 2.141 273 L HA -0.186 4.154 4.340 0.001 0.000 0.209 273 L C 2.386 179.349 176.870 0.154 0.000 1.094 273 L CA 0.986 55.911 54.840 0.141 0.000 0.763 273 L CB -0.740 41.422 42.059 0.172 0.000 0.908 273 L HN 0.349 nan 8.230 nan 0.000 0.437 274 F N 0.734 120.727 119.950 0.071 0.000 2.102 274 F HA -0.206 4.322 4.527 0.001 0.000 0.298 274 F C 2.123 177.961 175.800 0.064 0.000 1.105 274 F CA 1.522 59.562 58.000 0.066 0.000 1.239 274 F CB -0.266 38.773 39.000 0.065 0.000 0.991 274 F HN -0.135 nan 8.300 nan 0.000 0.474 275 L N 0.067 121.229 121.223 -0.102 0.000 2.046 275 L HA -0.176 4.165 4.340 0.001 0.000 0.208 275 L C 2.850 179.637 176.870 -0.137 0.000 1.077 275 L CA 1.115 55.846 54.840 -0.181 0.000 0.747 275 L CB -1.320 40.747 42.059 0.013 0.000 0.896 275 L HN 0.279 nan 8.230 nan 0.000 0.432 276 A N 0.404 123.188 122.820 -0.060 0.000 1.883 276 A HA -0.236 4.085 4.320 0.001 0.000 0.217 276 A C 1.919 179.479 177.584 -0.041 0.000 1.186 276 A CA 2.164 54.188 52.037 -0.022 0.000 0.624 276 A CB -0.598 18.417 19.000 0.024 0.000 0.822 276 A HN 0.428 nan 8.150 nan 0.000 0.444 277 N N -0.332 118.327 118.700 -0.070 0.000 2.515 277 N HA 0.081 4.821 4.740 0.001 0.000 0.185 277 N C 1.196 176.635 175.510 -0.117 0.000 1.109 277 N CA 0.397 53.404 53.050 -0.072 0.000 0.903 277 N CB -0.224 38.238 38.487 -0.040 0.000 0.969 277 N HN 0.516 nan 8.380 nan 0.000 0.450 278 L N -1.190 119.918 121.223 -0.192 0.000 2.418 278 L HA 0.125 4.465 4.340 0.001 0.000 0.218 278 L C 1.163 178.001 176.870 -0.053 0.000 1.125 278 L CA 0.575 55.313 54.840 -0.170 0.000 0.835 278 L CB -0.080 41.832 42.059 -0.246 0.000 0.953 278 L HN 0.270 nan 8.230 nan 0.000 0.454 279 G N -0.434 108.355 108.800 -0.018 0.000 2.168 279 G HA2 -0.213 3.747 3.960 0.001 0.000 0.197 279 G HA3 -0.213 3.747 3.960 0.001 0.000 0.197 279 G C 0.203 175.178 174.900 0.124 0.000 0.997 279 G CA -0.154 44.997 45.100 0.086 0.000 0.658 279 G HN 0.022 nan 8.290 nan 0.000 0.513 280 V N 1.393 121.330 119.914 0.037 0.000 2.694 280 V HA 0.132 4.252 4.120 0.001 0.000 0.306 280 V C 1.301 177.429 176.094 0.057 0.000 1.054 280 V CA 1.110 63.431 62.300 0.036 0.000 1.161 280 V CB 1.096 32.930 31.823 0.018 0.000 0.916 280 V HN 0.353 nan 8.190 nan 0.000 0.490 281 D N 3.070 123.506 120.400 0.061 0.000 2.262 281 D HA 0.243 4.883 4.640 0.001 0.000 0.212 281 D C 0.332 176.717 176.300 0.142 0.000 0.964 281 D CA 1.066 55.107 54.000 0.068 0.000 0.875 281 D CB 0.831 41.664 40.800 0.055 0.000 0.996 281 D HN 0.406 nan 8.370 nan 0.000 0.497 282 I N 1.297 121.919 120.570 0.087 0.000 2.619 282 I HA 0.250 4.420 4.170 0.001 0.000 0.292 282 I C -0.920 175.236 176.117 0.065 0.000 1.100 282 I CA -0.605 60.773 61.300 0.130 0.000 1.043 282 I CB 2.986 41.043 38.000 0.095 0.000 1.239 282 I HN -0.294 nan 8.210 nan 0.000 0.420 283 L N 5.475 126.772 121.223 0.125 0.000 2.296 283 L HA 0.506 4.847 4.340 0.001 0.000 0.286 283 L C 0.208 177.088 176.870 0.017 0.000 1.023 283 L CA -0.593 54.271 54.840 0.039 0.000 0.812 283 L CB 1.588 43.608 42.059 -0.066 0.000 1.223 283 L HN 0.525 nan 8.230 nan 0.000 0.421 284 R N 4.497 124.995 120.500 -0.004 0.000 2.248 284 R HA 0.254 4.595 4.340 0.001 0.000 0.337 284 R C -0.569 175.749 176.300 0.031 0.000 1.085 284 R CA -0.647 55.469 56.100 0.026 0.000 0.934 284 R CB 0.495 30.785 30.300 -0.018 0.000 1.034 284 R HN 0.491 nan 8.270 nan 0.000 0.465 285 M N 4.361 123.934 119.600 -0.044 0.000 2.455 285 M HA 0.107 4.587 4.480 0.001 0.000 0.331 285 M C -0.711 175.649 176.300 0.100 0.000 1.481 285 M CA 0.030 55.230 55.300 -0.167 0.000 1.362 285 M CB 0.206 32.592 32.600 -0.357 0.000 1.564 285 M HN 0.405 nan 8.290 nan 0.000 0.458 286 D N 3.020 123.547 120.400 0.212 0.000 2.304 286 D HA 0.335 4.975 4.640 0.001 0.000 0.250 286 D C 0.789 177.292 176.300 0.338 0.000 1.107 286 D CA 0.243 54.396 54.000 0.255 0.000 0.885 286 D CB 1.034 41.986 40.800 0.253 0.000 1.192 286 D HN 0.717 nan 8.370 nan 0.000 0.436 287 A N 1.721 124.701 122.820 0.265 0.000 2.745 287 A HA -0.223 4.098 4.320 0.001 0.000 0.296 287 A C 1.581 179.377 177.584 0.354 0.000 1.500 287 A CA 0.911 53.202 52.037 0.423 0.000 0.766 287 A CB -2.135 17.165 19.000 0.500 0.000 1.030 287 A HN 0.673 nan 8.150 nan 0.000 0.489 288 V N -3.151 116.878 119.914 0.191 0.000 2.469 288 V HA -0.065 4.055 4.120 0.001 0.000 0.251 288 V C 2.471 178.510 176.094 -0.092 0.000 1.064 288 V CA 2.526 64.873 62.300 0.079 0.000 1.066 288 V CB -1.550 30.203 31.823 -0.117 0.000 0.667 288 V HN 1.900 nan 8.190 nan 0.000 0.461 289 A N 0.085 122.763 122.820 -0.237 0.000 2.019 289 A HA 0.006 4.327 4.320 0.001 0.000 0.219 289 A C 1.794 179.128 177.584 -0.418 0.000 1.164 289 A CA 1.865 53.696 52.037 -0.345 0.000 0.644 289 A CB -0.846 17.802 19.000 -0.586 0.000 0.805 289 A HN 0.666 nan 8.150 nan 0.000 0.449 290 F N -0.246 119.704 119.950 -0.000 0.000 2.727 290 F HA 0.200 4.727 4.527 0.001 0.000 0.302 290 F C 1.654 177.399 175.800 -0.093 0.000 1.097 290 F CA 0.025 57.998 58.000 -0.045 0.000 1.330 290 F CB -0.240 38.742 39.000 -0.029 0.000 1.084 290 F HN 0.298 nan 8.300 nan 0.000 0.578 291 I N -2.649 117.942 120.570 0.034 0.000 3.334 291 I HA -0.077 4.093 4.170 0.001 0.000 0.282 291 I C 0.228 176.447 176.117 0.170 0.000 1.313 291 I CA 0.681 61.979 61.300 -0.003 0.000 1.396 291 I CB -0.047 37.755 38.000 -0.330 0.000 1.054 291 I HN 0.174 nan 8.210 nan 0.000 0.495 292 W N 2.916 124.166 121.300 -0.082 0.000 2.998 292 W HA 0.424 5.085 4.660 0.001 0.000 0.335 292 W C -1.233 175.209 176.519 -0.128 0.000 1.110 292 W CA -0.808 56.502 57.345 -0.059 0.000 1.230 292 W CB 2.026 31.459 29.460 -0.047 0.000 1.405 292 W HN -0.172 nan 8.180 nan 0.000 0.493 293 K N 3.789 123.784 120.400 -0.675 0.000 2.259 293 K HA 0.479 4.800 4.320 0.001 0.000 0.249 293 K C -0.979 175.489 176.600 -0.220 0.000 0.942 293 K CA -1.053 54.940 56.287 -0.490 0.000 0.816 293 K CB 2.351 34.257 32.500 -0.989 0.000 1.155 293 K HN 0.400 nan 8.250 nan 0.000 0.428 294 Q N 1.876 121.752 119.800 0.126 0.000 2.331 294 Q HA 0.257 4.598 4.340 0.001 0.000 0.249 294 Q C -1.331 174.878 176.000 0.349 0.000 0.913 294 Q CA -0.458 55.500 55.803 0.260 0.000 0.874 294 Q CB 1.333 30.237 28.738 0.278 0.000 1.384 294 Q HN 0.600 nan 8.270 nan 0.000 0.427 295 M N 3.420 123.255 119.600 0.392 0.000 2.240 295 M HA 0.325 4.806 4.480 0.001 0.000 0.346 295 M C 1.221 177.594 176.300 0.122 0.000 1.236 295 M CA 2.602 58.015 55.300 0.188 0.000 0.986 295 M CB -0.164 32.394 32.600 -0.070 0.000 1.786 295 M HN 1.060 nan 8.290 nan 0.000 0.457 296 G N 2.275 111.128 108.800 0.088 0.000 2.176 296 G HA2 -0.236 3.725 3.960 0.001 0.000 0.253 296 G HA3 -0.236 3.725 3.960 0.001 0.000 0.253 296 G C 0.224 175.177 174.900 0.087 0.000 0.979 296 G CA 0.716 45.852 45.100 0.061 0.000 0.641 296 G HN 1.264 nan 8.290 nan 0.000 0.530 297 T N -2.476 112.159 114.554 0.136 0.000 2.927 297 T HA 0.695 5.046 4.350 0.001 0.000 0.286 297 T C 1.580 176.362 174.700 0.137 0.000 1.040 297 T CA 0.842 63.015 62.100 0.122 0.000 1.010 297 T CB 1.483 70.432 68.868 0.135 0.000 1.177 297 T HN 1.081 nan 8.240 nan 0.000 0.546 298 S N -1.023 114.739 115.700 0.104 0.000 2.555 298 S HA 0.023 4.493 4.470 0.001 0.000 0.230 298 S C 1.238 175.911 174.600 0.122 0.000 0.978 298 S CA 0.222 58.481 58.200 0.098 0.000 0.934 298 S CB -1.520 61.715 63.200 0.058 0.000 0.766 298 S HN 1.126 nan 8.310 nan 0.000 0.533 299 C N 1.401 120.779 119.300 0.129 0.000 4.365 299 C HA -0.110 4.351 4.460 0.001 0.000 0.299 299 C C 0.090 175.099 174.990 0.031 0.000 1.409 299 C CA 0.534 59.616 59.018 0.106 0.000 2.007 299 C CB -2.770 25.068 27.740 0.164 0.000 1.264 299 C HN 0.749 nan 8.230 nan 0.000 0.777 300 E N -0.177 120.016 120.200 -0.012 0.000 2.292 300 E HA 0.371 4.722 4.350 0.001 0.000 0.272 300 E C 0.142 176.714 176.600 -0.048 0.000 0.881 300 E CA -0.788 55.520 56.400 -0.153 0.000 0.754 300 E CB 1.090 30.656 29.700 -0.224 0.000 1.201 300 E HN 0.319 nan 8.360 nan 0.000 0.425 301 N N 1.185 119.866 118.700 -0.032 0.000 2.714 301 N HA -0.204 4.536 4.740 0.001 0.000 0.250 301 N C -0.312 175.236 175.510 0.063 0.000 1.117 301 N CA 0.777 53.866 53.050 0.065 0.000 0.719 301 N CB -1.452 37.109 38.487 0.122 0.000 1.081 301 N HN 0.488 nan 8.380 nan 0.000 0.557 302 L N 0.260 121.518 121.223 0.058 0.000 2.464 302 L HA 0.087 4.427 4.340 0.001 0.000 0.264 302 L C -0.575 176.315 176.870 0.034 0.000 1.199 302 L CA -1.334 53.552 54.840 0.077 0.000 0.818 302 L CB 0.129 42.296 42.059 0.180 0.000 1.102 302 L HN -0.181 nan 8.230 nan 0.000 0.473 303 P HA -0.219 nan 4.420 nan 0.000 0.216 303 P C 1.097 178.287 177.300 -0.183 0.000 1.157 303 P CA 1.286 64.348 63.100 -0.063 0.000 0.880 303 P CB 0.189 31.816 31.700 -0.122 0.000 0.791 304 Q N -0.915 118.618 119.800 -0.444 0.000 2.226 304 Q HA -0.082 4.258 4.340 0.001 0.000 0.204 304 Q C 2.196 177.962 176.000 -0.391 0.000 0.975 304 Q CA 1.709 57.081 55.803 -0.719 0.000 0.866 304 Q CB -1.134 26.511 28.738 -1.822 0.000 0.915 304 Q HN 0.202 nan 8.270 nan 0.000 0.440 305 A N 0.380 123.092 122.820 -0.181 0.000 1.877 305 A HA -0.229 4.092 4.320 0.001 0.000 0.216 305 A C 1.740 179.289 177.584 -0.059 0.000 1.186 305 A CA 1.516 53.517 52.037 -0.059 0.000 0.620 305 A CB -0.702 18.272 19.000 -0.044 0.000 0.822 305 A HN 0.404 nan 8.150 nan 0.000 0.443 306 H N -0.455 118.608 119.070 -0.011 0.000 2.353 306 H HA -0.040 4.516 4.556 0.001 0.000 0.300 306 H C 2.565 177.879 175.328 -0.023 0.000 1.090 306 H CA 1.443 57.481 56.048 -0.017 0.000 1.327 306 H CB -0.445 29.229 29.762 -0.147 0.000 1.383 306 H HN 0.536 nan 8.280 nan 0.000 0.508 307 A N 1.135 123.953 122.820 -0.004 0.000 1.902 307 A HA -0.106 4.214 4.320 0.001 0.000 0.217 307 A C 2.699 180.238 177.584 -0.076 0.000 1.181 307 A CA 0.976 52.957 52.037 -0.093 0.000 0.623 307 A CB -0.843 18.019 19.000 -0.231 0.000 0.818 307 A HN 0.259 nan 8.150 nan 0.000 0.443 308 L N -0.599 120.585 121.223 -0.065 0.000 2.083 308 L HA -0.159 4.181 4.340 0.001 0.000 0.209 308 L C 2.413 179.481 176.870 0.329 0.000 1.083 308 L CA 1.151 56.011 54.840 0.033 0.000 0.752 308 L CB -0.436 41.660 42.059 0.061 0.000 0.899 308 L HN 0.388 nan 8.230 nan 0.000 0.433 309 I N -0.751 120.034 120.570 0.359 0.000 2.315 309 I HA -0.248 3.923 4.170 0.001 0.000 0.248 309 I C 2.615 178.977 176.117 0.408 0.000 1.117 309 I CA 1.109 62.688 61.300 0.464 0.000 1.404 309 I CB -0.313 37.901 38.000 0.358 0.000 1.071 309 I HN 0.181 nan 8.210 nan 0.000 0.419 310 R N 0.782 121.429 120.500 0.244 0.000 2.148 310 R HA -0.060 4.281 4.340 0.001 0.000 0.227 310 R C 2.426 178.813 176.300 0.145 0.000 1.103 310 R CA 1.222 57.421 56.100 0.164 0.000 0.983 310 R CB -0.326 30.011 30.300 0.062 0.000 0.874 310 R HN 0.358 nan 8.270 nan 0.000 0.451 311 A N 0.649 123.540 122.820 0.119 0.000 1.898 311 A HA -0.113 4.207 4.320 0.001 0.000 0.216 311 A C 1.884 179.639 177.584 0.286 0.000 1.181 311 A CA 0.993 53.070 52.037 0.067 0.000 0.620 311 A CB -0.585 18.292 19.000 -0.205 0.000 0.819 311 A HN 0.207 nan 8.150 nan 0.000 0.442 312 F N 0.110 120.323 119.950 0.438 0.000 2.171 312 F HA -0.202 4.326 4.527 0.001 0.000 0.300 312 F C 2.274 178.291 175.800 0.361 0.000 1.090 312 F CA 1.597 59.829 58.000 0.386 0.000 1.293 312 F CB -0.378 38.766 39.000 0.240 0.000 1.013 312 F HN 0.392 nan 8.300 nan 0.000 0.486 313 N N 0.331 119.358 118.700 0.545 0.000 2.069 313 N HA -0.221 4.520 4.740 0.001 0.000 0.191 313 N C 1.909 177.386 175.510 -0.054 0.000 1.031 313 N CA 1.359 54.463 53.050 0.091 0.000 0.852 313 N CB -0.230 38.276 38.487 0.032 0.000 1.018 313 N HN 0.186 nan 8.380 nan 0.000 0.423 314 A N 0.063 122.898 122.820 0.025 0.000 1.940 314 A HA -0.091 4.230 4.320 0.001 0.000 0.219 314 A C 2.334 179.919 177.584 0.001 0.000 1.176 314 A CA 1.426 53.447 52.037 -0.027 0.000 0.631 314 A CB -0.813 18.192 19.000 0.008 0.000 0.814 314 A HN 0.235 nan 8.150 nan 0.000 0.446 315 V N -0.119 119.862 119.914 0.111 0.000 2.343 315 V HA -0.293 3.828 4.120 0.001 0.000 0.247 315 V C 2.651 178.790 176.094 0.075 0.000 1.051 315 V CA 1.998 64.386 62.300 0.146 0.000 1.036 315 V CB -0.654 31.309 31.823 0.234 0.000 0.654 315 V HN 0.516 nan 8.190 nan 0.000 0.451 316 M N -0.727 118.881 119.600 0.014 0.000 2.175 316 M HA -0.050 4.431 4.480 0.001 0.000 0.264 316 M C 2.292 178.496 176.300 -0.160 0.000 1.063 316 M CA 1.429 56.687 55.300 -0.070 0.000 1.119 316 M CB -1.127 31.353 32.600 -0.200 0.000 1.377 316 M HN 0.276 nan 8.290 nan 0.000 0.415 317 R N 0.209 120.537 120.500 -0.286 0.000 2.152 317 R HA -0.006 4.335 4.340 0.001 0.000 0.232 317 R C 2.043 178.136 176.300 -0.345 0.000 1.117 317 R CA 1.184 56.986 56.100 -0.497 0.000 0.981 317 R CB -0.743 28.953 30.300 -1.007 0.000 0.870 317 R HN 0.437 nan 8.270 nan 0.000 0.451 318 I N -0.480 119.979 120.570 -0.185 0.000 2.494 318 I HA -0.041 4.130 4.170 0.001 0.000 0.250 318 I C 2.000 178.075 176.117 -0.071 0.000 1.112 318 I CA 0.978 62.189 61.300 -0.148 0.000 1.438 318 I CB -0.069 37.865 38.000 -0.111 0.000 1.111 318 I HN 0.006 nan 8.210 nan 0.000 0.431 319 A N 0.091 122.959 122.820 0.081 0.000 2.343 319 A HA 0.699 5.019 4.320 0.001 0.000 0.223 319 A C 0.995 178.732 177.584 0.254 0.000 1.214 319 A CA 0.569 52.749 52.037 0.240 0.000 0.900 319 A CB 0.280 19.476 19.000 0.327 0.000 0.942 319 A HN 0.279 nan 8.150 nan 0.000 0.507 320 A N -0.322 122.573 122.820 0.125 0.000 3.208 320 A HA 0.557 4.878 4.320 0.001 0.000 0.252 320 A C -2.208 175.396 177.584 0.033 0.000 1.225 320 A CA -0.398 51.712 52.037 0.121 0.000 0.980 320 A CB -0.038 19.024 19.000 0.102 0.000 1.414 320 A HN 0.007 nan 8.150 nan 0.000 0.721 321 P HA -0.214 nan 4.420 nan 0.000 0.218 321 P C 1.725 179.063 177.300 0.063 0.000 1.146 321 P CA 2.101 65.186 63.100 -0.024 0.000 0.820 321 P CB 0.318 32.008 31.700 -0.017 0.000 0.778 322 A N -1.079 121.774 122.820 0.056 0.000 2.066 322 A HA -0.023 4.298 4.320 0.001 0.000 0.218 322 A C 1.012 178.700 177.584 0.174 0.000 1.157 322 A CA 0.641 52.704 52.037 0.043 0.000 0.670 322 A CB -0.971 17.985 19.000 -0.073 0.000 0.804 322 A HN 0.042 nan 8.150 nan 0.000 0.453 323 V N 1.527 121.528 119.914 0.144 0.000 2.439 323 V HA 0.257 4.378 4.120 0.001 0.000 0.271 323 V C -0.322 175.877 176.094 0.176 0.000 1.040 323 V CA 0.018 62.412 62.300 0.157 0.000 1.002 323 V CB -0.365 31.488 31.823 0.049 0.000 1.000 323 V HN 0.294 nan 8.190 nan 0.000 0.477 324 F N 4.391 124.342 119.950 0.002 0.000 2.497 324 F HA 0.719 5.246 4.527 0.001 0.000 0.331 324 F C -0.032 175.813 175.800 0.075 0.000 1.060 324 F CA -1.203 56.770 58.000 -0.045 0.000 0.989 324 F CB 1.431 40.524 39.000 0.155 0.000 1.245 324 F HN 0.240 nan 8.300 nan 0.000 0.486 325 F N 0.761 120.756 119.950 0.074 0.000 2.492 325 F HA 0.471 4.999 4.527 0.001 0.000 0.327 325 F C -0.121 175.700 175.800 0.034 0.000 1.079 325 F CA -1.720 56.278 58.000 -0.004 0.000 0.967 325 F CB 1.685 40.642 39.000 -0.071 0.000 1.169 325 F HN 0.183 nan 8.300 nan 0.000 0.472 326 K N 1.541 122.071 120.400 0.215 0.000 2.483 326 K HA 0.421 4.742 4.320 0.001 0.000 0.256 326 K C -0.539 176.142 176.600 0.135 0.000 0.961 326 K CA -0.285 56.077 56.287 0.126 0.000 0.873 326 K CB 1.347 33.884 32.500 0.061 0.000 1.107 326 K HN 0.627 nan 8.250 nan 0.000 0.432 327 S N 3.082 118.873 115.700 0.152 0.000 2.531 327 S HA 0.029 4.500 4.470 0.001 0.000 0.279 327 S C -0.374 174.375 174.600 0.248 0.000 1.305 327 S CA -0.331 57.957 58.200 0.145 0.000 1.058 327 S CB 0.682 63.977 63.200 0.158 0.000 0.899 327 S HN 0.706 nan 8.310 nan 0.000 0.493 328 E N 3.852 124.150 120.200 0.164 0.000 2.267 328 E HA 0.456 4.807 4.350 0.001 0.000 0.241 328 E C -1.267 175.345 176.600 0.020 0.000 0.950 328 E CA -0.506 55.980 56.400 0.143 0.000 0.776 328 E CB 0.697 30.435 29.700 0.063 0.000 1.207 328 E HN 0.673 nan 8.360 nan 0.000 0.436 329 A N 6.230 129.068 122.820 0.031 0.000 2.431 329 A HA 0.380 4.700 4.320 0.001 0.000 0.318 329 A C -0.358 177.278 177.584 0.086 0.000 1.330 329 A CA -0.641 51.376 52.037 -0.033 0.000 0.804 329 A CB 0.204 19.105 19.000 -0.165 0.000 1.135 329 A HN 0.449 nan 8.150 nan 0.000 0.483 330 I N 4.692 125.306 120.570 0.073 0.000 2.243 330 I HA 0.272 4.443 4.170 0.001 0.000 0.289 330 I C 0.324 176.493 176.117 0.086 0.000 1.140 330 I CA 0.110 61.457 61.300 0.079 0.000 1.289 330 I CB -0.820 37.205 38.000 0.041 0.000 1.498 330 I HN 0.443 nan 8.210 nan 0.000 0.561 331 V N 1.054 121.033 119.914 0.109 0.000 3.084 331 V HA 0.521 4.642 4.120 0.001 0.000 0.311 331 V C 0.320 176.506 176.094 0.153 0.000 1.311 331 V CA -1.054 61.318 62.300 0.121 0.000 1.062 331 V CB 1.874 33.774 31.823 0.129 0.000 1.113 331 V HN 0.500 nan 8.190 nan 0.000 0.468 332 H N 1.479 120.596 119.070 0.079 0.000 3.001 332 H HA 0.166 4.723 4.556 0.001 0.000 0.334 332 H C -1.998 173.401 175.328 0.119 0.000 1.034 332 H CA -0.212 55.885 56.048 0.080 0.000 1.420 332 H CB 1.807 31.608 29.762 0.065 0.000 1.405 332 H HN 0.407 nan 8.280 nan 0.000 0.593 333 P HA -0.162 nan 4.420 nan 0.000 0.216 333 P C 0.963 178.449 177.300 0.310 0.000 1.150 333 P CA 1.425 64.620 63.100 0.159 0.000 0.843 333 P CB 0.336 32.055 31.700 0.032 0.000 0.787 334 D N -1.409 119.298 120.400 0.513 0.000 2.218 334 D HA -0.133 4.508 4.640 0.001 0.000 0.204 334 D C 1.940 178.355 176.300 0.190 0.000 0.976 334 D CA 1.020 55.191 54.000 0.285 0.000 0.853 334 D CB -0.230 40.665 40.800 0.159 0.000 0.939 334 D HN 0.232 nan 8.370 nan 0.000 0.481 335 Q N -0.057 119.890 119.800 0.245 0.000 2.297 335 Q HA 0.050 4.390 4.340 0.001 0.000 0.203 335 Q C 2.507 178.702 176.000 0.325 0.000 0.931 335 Q CA 0.116 56.046 55.803 0.212 0.000 0.885 335 Q CB -0.288 28.585 28.738 0.225 0.000 0.991 335 Q HN 0.182 nan 8.270 nan 0.000 0.498 336 V N 0.879 121.011 119.914 0.364 0.000 2.287 336 V HA -0.217 3.904 4.120 0.001 0.000 0.248 336 V C 2.353 178.709 176.094 0.436 0.000 1.053 336 V CA 1.702 64.271 62.300 0.447 0.000 1.027 336 V CB -0.611 31.458 31.823 0.411 0.000 0.646 336 V HN 0.099 nan 8.190 nan 0.000 0.447 337 V N -0.630 119.475 119.914 0.319 0.000 2.759 337 V HA -0.247 3.874 4.120 0.001 0.000 0.256 337 V C 2.249 178.368 176.094 0.043 0.000 1.080 337 V CA 1.456 63.850 62.300 0.157 0.000 1.101 337 V CB -0.849 31.058 31.823 0.140 0.000 0.698 337 V HN 0.607 nan 8.190 nan 0.000 0.477 338 Q N -1.247 118.558 119.800 0.008 0.000 2.436 338 Q HA -0.112 4.229 4.340 0.001 0.000 0.209 338 Q C 1.690 177.564 176.000 -0.210 0.000 0.965 338 Q CA 1.248 56.926 55.803 -0.209 0.000 0.910 338 Q CB -0.083 28.410 28.738 -0.409 0.000 0.980 338 Q HN 0.753 nan 8.270 nan 0.000 0.491 339 Y N -0.336 120.071 120.300 0.178 0.000 2.523 339 Y HA 0.131 4.682 4.550 0.001 0.000 0.279 339 Y C 0.630 176.587 175.900 0.094 0.000 1.139 339 Y CA -0.002 58.229 58.100 0.217 0.000 1.296 339 Y CB 0.575 39.157 38.460 0.204 0.000 1.045 339 Y HN -0.018 nan 8.280 nan 0.000 0.538 340 I N 0.813 121.452 120.570 0.115 0.000 2.325 340 I HA 0.506 4.677 4.170 0.001 0.000 0.291 340 I C 0.545 176.626 176.117 -0.060 0.000 1.019 340 I CA -0.054 61.235 61.300 -0.018 0.000 1.302 340 I CB 0.568 38.446 38.000 -0.203 0.000 1.401 340 I HN 0.135 nan 8.210 nan 0.000 0.485 341 G N 4.023 112.801 108.800 -0.037 0.000 2.556 341 G HA2 0.117 4.077 3.960 0.001 0.000 0.294 341 G HA3 0.117 4.077 3.960 0.001 0.000 0.294 341 G C -0.317 174.559 174.900 -0.040 0.000 1.516 341 G CA -0.524 44.548 45.100 -0.047 0.000 0.824 341 G HN 0.557 nan 8.290 nan 0.000 0.535 342 Q N -0.501 119.279 119.800 -0.033 0.000 2.135 342 Q HA -0.137 4.204 4.340 0.001 0.000 0.204 342 Q C 0.976 176.910 176.000 -0.110 0.000 0.981 342 Q CA 2.135 57.906 55.803 -0.053 0.000 0.856 342 Q CB 0.090 28.835 28.738 0.012 0.000 0.902 342 Q HN 0.508 nan 8.270 nan 0.000 0.425 343 D N -0.515 119.846 120.400 -0.065 0.000 2.328 343 D HA 0.043 4.684 4.640 0.001 0.000 0.221 343 D C 0.483 176.775 176.300 -0.014 0.000 1.072 343 D CA 0.268 54.231 54.000 -0.062 0.000 0.850 343 D CB 0.502 41.281 40.800 -0.035 0.000 0.922 343 D HN 0.415 nan 8.370 nan 0.000 0.516 344 E N -1.001 119.210 120.200 0.020 0.000 3.788 344 E HA 0.211 4.562 4.350 0.001 0.000 0.252 344 E C -0.563 176.155 176.600 0.197 0.000 1.028 344 E CA -0.382 56.102 56.400 0.139 0.000 0.965 344 E CB 0.980 30.770 29.700 0.150 0.000 2.914 344 E HN -0.081 nan 8.360 nan 0.000 0.544 345 C N 2.316 121.735 119.300 0.199 0.000 2.264 345 C HA 0.281 4.742 4.460 0.001 0.000 0.324 345 C C 0.881 175.915 174.990 0.074 0.000 1.267 345 C CA -0.493 58.653 59.018 0.213 0.000 1.618 345 C CB 0.463 28.343 27.740 0.234 0.000 2.278 345 C HN 0.597 nan 8.230 nan 0.000 0.499 346 Q N 2.121 121.929 119.800 0.013 0.000 2.226 346 Q HA 0.012 4.353 4.340 0.001 0.000 0.204 346 Q C 0.661 176.660 176.000 -0.003 0.000 0.975 346 Q CA 1.145 56.945 55.803 -0.005 0.000 0.866 346 Q CB -0.031 28.727 28.738 0.034 0.000 0.915 346 Q HN 0.909 nan 8.270 nan 0.000 0.440 347 I N -4.996 115.590 120.570 0.026 0.000 3.042 347 I HA 0.879 5.049 4.170 0.001 0.000 0.310 347 I C -0.400 175.724 176.117 0.012 0.000 1.117 347 I CA -1.390 59.891 61.300 -0.031 0.000 1.003 347 I CB 2.370 40.341 38.000 -0.048 0.000 1.228 347 I HN -0.085 nan 8.210 nan 0.000 0.443 348 G N 1.743 110.554 108.800 0.019 0.000 2.732 348 G HA2 0.488 4.449 3.960 0.001 0.000 0.296 348 G HA3 0.488 4.449 3.960 0.001 0.000 0.296 348 G C -1.848 173.218 174.900 0.277 0.000 1.448 348 G CA -0.661 44.524 45.100 0.142 0.000 0.911 348 G HN 0.587 nan 8.290 nan 0.000 0.528 349 Y N 0.695 121.144 120.300 0.249 0.000 2.683 349 Y HA 0.155 4.706 4.550 0.001 0.000 0.340 349 Y C 1.140 177.305 175.900 0.441 0.000 1.245 349 Y CA 0.563 58.822 58.100 0.265 0.000 1.485 349 Y CB 0.854 39.361 38.460 0.078 0.000 1.328 349 Y HN 0.476 nan 8.280 nan 0.000 0.603 350 N N 4.610 123.617 118.700 0.513 0.000 3.112 350 N HA 0.209 4.950 4.740 0.001 0.000 0.270 350 N C -2.139 173.379 175.510 0.014 0.000 1.385 350 N CA -2.443 50.564 53.050 -0.071 0.000 0.986 350 N CB 0.504 38.680 38.487 -0.519 0.000 1.261 350 N HN 0.268 nan 8.380 nan 0.000 0.495 351 P HA -0.156 nan 4.420 nan 0.000 0.220 351 P C 1.517 178.776 177.300 -0.069 0.000 1.148 351 P CA 0.410 63.551 63.100 0.069 0.000 0.803 351 P CB 0.658 32.444 31.700 0.143 0.000 0.782 352 L N 0.512 121.677 121.223 -0.097 0.000 2.017 352 L HA -0.138 4.203 4.340 0.001 0.000 0.208 352 L C 2.817 179.622 176.870 -0.109 0.000 1.073 352 L CA 1.940 56.737 54.840 -0.071 0.000 0.745 352 L CB -1.614 40.394 42.059 -0.085 0.000 0.894 352 L HN -0.093 nan 8.230 nan 0.000 0.432 353 Q N -1.251 118.413 119.800 -0.227 0.000 2.084 353 Q HA -0.256 4.085 4.340 0.001 0.000 0.202 353 Q C 2.276 178.162 176.000 -0.190 0.000 0.978 353 Q CA 2.085 57.764 55.803 -0.208 0.000 0.844 353 Q CB -0.245 28.335 28.738 -0.265 0.000 0.898 353 Q HN 0.555 nan 8.270 nan 0.000 0.426 354 M N 0.376 119.806 119.600 -0.283 0.000 2.065 354 M HA -0.172 4.308 4.480 0.001 0.000 0.259 354 M C 2.045 178.300 176.300 -0.075 0.000 1.069 354 M CA 2.187 57.281 55.300 -0.342 0.000 1.110 354 M CB -0.899 31.224 32.600 -0.794 0.000 1.328 354 M HN 0.313 nan 8.290 nan 0.000 0.405 355 A N 0.455 123.264 122.820 -0.018 0.000 1.933 355 A HA -0.140 4.180 4.320 0.001 0.000 0.218 355 A C 2.172 179.956 177.584 0.333 0.000 1.175 355 A CA 1.462 53.607 52.037 0.180 0.000 0.628 355 A CB -0.938 18.174 19.000 0.187 0.000 0.814 355 A HN 0.624 nan 8.150 nan 0.000 0.444 356 L N -0.674 120.646 121.223 0.161 0.000 2.291 356 L HA -0.062 4.279 4.340 0.001 0.000 0.214 356 L C 2.353 179.245 176.870 0.037 0.000 1.120 356 L CA 0.317 55.220 54.840 0.105 0.000 0.799 356 L CB -0.397 41.668 42.059 0.011 0.000 0.925 356 L HN 0.381 nan 8.230 nan 0.000 0.446 357 L N -1.508 119.703 121.223 -0.019 0.000 2.056 357 L HA -0.198 4.143 4.340 0.001 0.000 0.207 357 L C 2.348 179.205 176.870 -0.021 0.000 1.078 357 L CA 1.748 56.535 54.840 -0.088 0.000 0.749 357 L CB -0.443 41.445 42.059 -0.284 0.000 0.901 357 L HN 0.347 nan 8.230 nan 0.000 0.433 358 W N 0.080 121.480 121.300 0.166 0.000 2.418 358 W HA -0.152 4.508 4.660 0.001 0.000 0.292 358 W C 2.501 179.239 176.519 0.364 0.000 1.213 358 W CA 1.071 58.562 57.345 0.243 0.000 1.283 358 W CB -0.467 28.998 29.460 0.008 0.000 1.119 358 W HN 0.244 nan 8.180 nan 0.000 0.542 359 N N -0.147 118.833 118.700 0.468 0.000 2.069 359 N HA -0.183 4.557 4.740 0.001 0.000 0.191 359 N C 1.486 177.095 175.510 0.165 0.000 1.031 359 N CA 2.633 55.829 53.050 0.242 0.000 0.852 359 N CB -0.488 38.093 38.487 0.156 0.000 1.018 359 N HN -0.105 nan 8.380 nan 0.000 0.423 360 T N 0.495 115.103 114.554 0.091 0.000 2.867 360 T HA -0.026 4.325 4.350 0.001 0.000 0.268 360 T C 1.816 176.666 174.700 0.251 0.000 1.057 360 T CA 0.787 62.868 62.100 -0.032 0.000 1.136 360 T CB -0.214 68.313 68.868 -0.570 0.000 0.874 360 T HN 0.188 nan 8.240 nan 0.000 0.466 361 L N 0.535 122.036 121.223 0.462 0.000 2.093 361 L HA -0.054 4.287 4.340 0.001 0.000 0.208 361 L C 2.996 180.139 176.870 0.455 0.000 1.085 361 L CA 1.095 56.304 54.840 0.616 0.000 0.755 361 L CB -0.591 41.880 42.059 0.686 0.000 0.904 361 L HN 0.269 nan 8.230 nan 0.000 0.435 362 A N 0.022 122.925 122.820 0.139 0.000 1.872 362 A HA -0.189 4.132 4.320 0.001 0.000 0.214 362 A C 2.384 179.788 177.584 -0.301 0.000 1.187 362 A CA 2.111 53.746 52.037 -0.670 0.000 0.614 362 A CB -0.857 17.503 19.000 -1.068 0.000 0.826 362 A HN 0.479 nan 8.150 nan 0.000 0.442 363 T N -5.321 109.209 114.554 -0.041 0.000 3.043 363 T HA 0.122 4.473 4.350 0.001 0.000 0.263 363 T C 1.030 175.783 174.700 0.088 0.000 1.094 363 T CA 0.943 63.047 62.100 0.006 0.000 1.127 363 T CB -0.039 68.841 68.868 0.021 0.000 0.905 363 T HN 0.393 nan 8.240 nan 0.000 0.490 364 R N 0.484 121.084 120.500 0.168 0.000 3.922 364 R HA -0.115 4.225 4.340 0.001 0.000 0.447 364 R C -0.638 175.834 176.300 0.286 0.000 1.035 364 R CA 1.291 57.556 56.100 0.275 0.000 1.289 364 R CB -2.280 28.178 30.300 0.263 0.000 1.906 364 R HN 0.677 nan 8.270 nan 0.000 0.540 365 E N -0.211 120.044 120.200 0.092 0.000 2.145 365 E HA 0.278 4.628 4.350 0.001 0.000 0.270 365 E C 0.834 177.370 176.600 -0.108 0.000 0.906 365 E CA 0.104 56.485 56.400 -0.031 0.000 0.761 365 E CB 1.626 31.279 29.700 -0.078 0.000 1.116 365 E HN 0.111 nan 8.360 nan 0.000 0.408 366 V N 0.906 120.742 119.914 -0.131 0.000 3.573 366 V HA -0.139 3.981 4.120 0.001 0.000 0.270 366 V C 1.316 177.354 176.094 -0.093 0.000 1.221 366 V CA 0.828 63.024 62.300 -0.174 0.000 1.163 366 V CB -1.036 30.717 31.823 -0.117 0.000 0.847 366 V HN 0.587 nan 8.190 nan 0.000 0.468 367 N N 2.445 121.089 118.700 -0.094 0.000 2.036 367 N HA -0.287 4.453 4.740 0.001 0.000 0.199 367 N C 1.537 177.036 175.510 -0.018 0.000 1.036 367 N CA 2.632 55.650 53.050 -0.054 0.000 0.870 367 N CB -1.099 37.338 38.487 -0.085 0.000 1.055 367 N HN 0.531 nan 8.380 nan 0.000 0.436 368 L N -1.107 120.063 121.223 -0.088 0.000 2.046 368 L HA -0.051 4.290 4.340 0.001 0.000 0.208 368 L C 2.464 179.303 176.870 -0.051 0.000 1.077 368 L CA 0.764 55.547 54.840 -0.095 0.000 0.747 368 L CB -0.472 41.465 42.059 -0.204 0.000 0.896 368 L HN 0.190 nan 8.230 nan 0.000 0.432 369 L N -0.763 120.414 121.223 -0.076 0.000 2.017 369 L HA -0.274 4.067 4.340 0.001 0.000 0.208 369 L C 2.693 179.545 176.870 -0.030 0.000 1.073 369 L CA 1.865 56.658 54.840 -0.079 0.000 0.745 369 L CB -0.899 41.062 42.059 -0.162 0.000 0.894 369 L HN 0.298 nan 8.230 nan 0.000 0.432 370 H N -0.544 118.485 119.070 -0.069 0.000 2.352 370 H HA -0.224 4.332 4.556 0.001 0.000 0.299 370 H C 2.100 177.402 175.328 -0.042 0.000 1.097 370 H CA 2.137 58.162 56.048 -0.039 0.000 1.311 370 H CB 0.103 29.852 29.762 -0.022 0.000 1.377 370 H HN 0.609 nan 8.280 nan 0.000 0.504 371 Q N 0.216 120.050 119.800 0.057 0.000 2.050 371 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 371 Q C 2.432 178.457 176.000 0.043 0.000 0.980 371 Q CA 1.591 57.453 55.803 0.098 0.000 0.840 371 Q CB -0.127 28.703 28.738 0.153 0.000 0.898 371 Q HN 0.526 nan 8.270 nan 0.000 0.424 372 A N 0.754 123.576 122.820 0.003 0.000 1.902 372 A HA -0.136 4.184 4.320 0.001 0.000 0.217 372 A C 2.039 179.594 177.584 -0.049 0.000 1.181 372 A CA 1.174 53.212 52.037 0.001 0.000 0.623 372 A CB -0.682 18.303 19.000 -0.025 0.000 0.818 372 A HN 0.458 nan 8.150 nan 0.000 0.443 373 L N -0.681 120.456 121.223 -0.145 0.000 2.201 373 L HA -0.114 4.227 4.340 0.001 0.000 0.212 373 L C 2.517 179.242 176.870 -0.242 0.000 1.105 373 L CA 1.506 56.223 54.840 -0.205 0.000 0.775 373 L CB -0.663 41.217 42.059 -0.299 0.000 0.913 373 L HN 0.355 nan 8.230 nan 0.000 0.440 374 T N -1.737 112.582 114.554 -0.392 0.000 2.894 374 T HA -0.077 4.273 4.350 0.001 0.000 0.258 374 T C 1.225 175.580 174.700 -0.576 0.000 1.043 374 T CA 1.151 62.886 62.100 -0.610 0.000 1.141 374 T CB -0.060 68.194 68.868 -1.023 0.000 0.873 374 T HN 0.234 nan 8.240 nan 0.000 0.449 375 Y N 0.205 120.475 120.300 -0.050 0.000 2.430 375 Y HA 0.427 4.978 4.550 0.001 0.000 0.248 375 Y C 1.854 177.775 175.900 0.035 0.000 1.108 375 Y CA -0.373 57.719 58.100 -0.014 0.000 1.264 375 Y CB 0.434 38.870 38.460 -0.040 0.000 1.172 375 Y HN -0.052 nan 8.280 nan 0.000 0.520 376 R N -1.611 118.997 120.500 0.181 0.000 2.572 376 R HA 0.132 4.473 4.340 0.001 0.000 0.370 376 R C 0.605 177.070 176.300 0.274 0.000 1.005 376 R CA 0.111 56.334 56.100 0.206 0.000 1.146 376 R CB 0.151 30.552 30.300 0.169 0.000 1.390 376 R HN 0.267 nan 8.270 nan 0.000 0.553 377 H N 0.380 119.536 119.070 0.145 0.000 2.388 377 H HA 0.211 4.768 4.556 0.001 0.000 0.304 377 H C 0.284 175.810 175.328 0.331 0.000 1.049 377 H CA 0.591 56.779 56.048 0.233 0.000 1.371 377 H CB 0.468 30.244 29.762 0.024 0.000 1.436 377 H HN -0.080 nan 8.280 nan 0.000 0.544 378 N N 1.490 120.292 118.700 0.170 0.000 2.492 378 N HA 0.107 4.847 4.740 0.001 0.000 0.262 378 N C -0.707 174.777 175.510 -0.042 0.000 1.202 378 N CA 0.344 53.422 53.050 0.046 0.000 0.926 378 N CB 0.949 39.471 38.487 0.058 0.000 1.078 378 N HN 0.293 nan 8.380 nan 0.000 0.454 379 L N 2.201 123.332 121.223 -0.152 0.000 2.286 379 L HA 0.582 4.923 4.340 0.001 0.000 0.265 379 L C -1.984 174.780 176.870 -0.177 0.000 1.012 379 L CA -2.005 52.695 54.840 -0.233 0.000 0.818 379 L CB 1.421 43.211 42.059 -0.449 0.000 1.337 379 L HN 0.281 nan 8.230 nan 0.000 0.438 380 P HA 0.087 nan 4.420 nan 0.000 0.271 380 P C -0.900 176.292 177.300 -0.179 0.000 1.233 380 P CA -0.428 62.584 63.100 -0.147 0.000 0.789 380 P CB 0.377 32.002 31.700 -0.125 0.000 0.951 381 E N 0.763 120.830 120.200 -0.221 0.000 2.436 381 E HA -0.073 4.277 4.350 0.001 0.000 0.262 381 E C 0.047 176.437 176.600 -0.350 0.000 1.063 381 E CA 0.225 56.385 56.400 -0.401 0.000 0.944 381 E CB -0.115 29.209 29.700 -0.627 0.000 0.950 381 E HN 0.533 nan 8.360 nan 0.000 0.444 382 H N -1.370 117.673 119.070 -0.046 0.000 2.899 382 H HA -0.160 4.396 4.556 0.001 0.000 0.282 382 H C -0.111 175.185 175.328 -0.053 0.000 1.198 382 H CA 1.287 57.318 56.048 -0.027 0.000 1.140 382 H CB -2.499 27.263 29.762 -0.000 0.000 1.317 382 H HN 0.629 nan 8.280 nan 0.000 0.375 383 T N -2.899 111.627 114.554 -0.047 0.000 2.883 383 T HA 0.931 5.281 4.350 0.001 0.000 0.296 383 T C -0.306 174.281 174.700 -0.189 0.000 1.117 383 T CA -0.279 61.753 62.100 -0.114 0.000 1.006 383 T CB 3.392 72.159 68.868 -0.169 0.000 1.191 383 T HN 0.833 nan 8.240 nan 0.000 0.508 384 A N 0.166 122.848 122.820 -0.230 0.000 2.612 384 A HA 0.688 5.009 4.320 0.001 0.000 0.293 384 A C -1.935 175.512 177.584 -0.228 0.000 1.075 384 A CA -1.260 50.635 52.037 -0.236 0.000 0.680 384 A CB 0.803 19.713 19.000 -0.150 0.000 1.279 384 A HN 0.854 nan 8.150 nan 0.000 0.411 385 W N 0.177 121.409 121.300 -0.114 0.000 2.359 385 W HA 0.543 5.203 4.660 0.001 0.000 0.344 385 W C -0.211 176.249 176.519 -0.098 0.000 1.170 385 W CA -0.550 56.745 57.345 -0.085 0.000 1.296 385 W CB 1.633 31.044 29.460 -0.081 0.000 1.197 385 W HN 0.419 nan 8.180 nan 0.000 0.618 386 V N 4.097 124.146 119.914 0.225 0.000 2.313 386 V HA 0.192 4.313 4.120 0.001 0.000 0.278 386 V C -0.325 175.872 176.094 0.172 0.000 1.017 386 V CA -1.013 61.283 62.300 -0.007 0.000 0.823 386 V CB 0.271 31.879 31.823 -0.358 0.000 1.010 386 V HN 0.419 nan 8.190 nan 0.000 0.443 387 N N 4.971 123.768 118.700 0.162 0.000 2.455 387 N HA 0.547 5.287 4.740 0.001 0.000 0.280 387 N C -0.841 174.837 175.510 0.281 0.000 1.055 387 N CA -0.193 52.971 53.050 0.189 0.000 0.961 387 N CB 1.854 40.391 38.487 0.085 0.000 1.121 387 N HN 0.704 nan 8.380 nan 0.000 0.476 388 Y N -2.093 118.223 120.300 0.027 0.000 2.644 388 Y HA 0.556 5.106 4.550 0.001 0.000 0.338 388 Y C 0.038 175.908 175.900 -0.050 0.000 1.119 388 Y CA -1.113 57.011 58.100 0.040 0.000 1.060 388 Y CB 0.284 38.840 38.460 0.161 0.000 1.294 388 Y HN 0.055 nan 8.280 nan 0.000 0.472 389 V N 0.140 119.998 119.914 -0.093 0.000 2.908 389 V HA 0.397 4.517 4.120 0.001 0.000 0.240 389 V C 0.406 176.581 176.094 0.135 0.000 1.117 389 V CA 0.548 62.727 62.300 -0.202 0.000 1.133 389 V CB -0.061 31.390 31.823 -0.620 0.000 0.857 389 V HN 0.718 nan 8.190 nan 0.000 0.478 390 R N -0.147 120.475 120.500 0.204 0.000 2.817 390 R HA 0.715 5.056 4.340 0.001 0.000 0.268 390 R C -0.697 175.648 176.300 0.075 0.000 1.027 390 R CA 0.171 56.310 56.100 0.064 0.000 0.928 390 R CB 2.109 32.352 30.300 -0.096 0.000 1.228 390 R HN 0.430 nan 8.270 nan 0.000 0.469 391 S N -1.001 114.536 115.700 -0.272 0.000 2.819 391 S HA 0.291 4.762 4.470 0.001 0.000 0.299 391 S C 0.737 175.035 174.600 -0.504 0.000 1.192 391 S CA -0.634 57.443 58.200 -0.206 0.000 0.847 391 S CB 0.935 64.071 63.200 -0.107 0.000 1.224 391 S HN 0.792 nan 8.310 nan 0.000 0.537 392 H N -0.178 118.867 119.070 -0.042 0.000 2.547 392 H HA 0.271 4.827 4.556 0.001 0.000 0.272 392 H C -0.593 174.771 175.328 0.060 0.000 0.989 392 H CA 0.431 56.575 56.048 0.160 0.000 1.214 392 H CB -0.463 29.478 29.762 0.297 0.000 1.389 392 H HN 0.434 nan 8.280 nan 0.000 0.577 393 D N 2.137 122.128 120.400 -0.682 0.000 2.387 393 D HA 0.059 4.700 4.640 0.001 0.000 0.255 393 D C 0.394 176.405 176.300 -0.482 0.000 1.081 393 D CA -0.446 53.228 54.000 -0.544 0.000 0.994 393 D CB 1.343 41.777 40.800 -0.611 0.000 1.127 393 D HN 0.367 nan 8.370 nan 0.000 0.513 394 D N -0.229 119.919 120.400 -0.420 0.000 2.363 394 D HA 0.075 4.715 4.640 0.001 0.000 0.240 394 D C 0.197 176.251 176.300 -0.411 0.000 1.236 394 D CA -0.096 53.668 54.000 -0.393 0.000 0.927 394 D CB 1.004 41.639 40.800 -0.275 0.000 1.150 394 D HN 0.249 nan 8.370 nan 0.000 0.458 395 I N 0.083 120.351 120.570 -0.502 0.000 2.331 395 I HA 0.347 4.517 4.170 0.001 0.000 0.292 395 I C 0.865 176.525 176.117 -0.763 0.000 0.998 395 I CA -0.498 60.400 61.300 -0.669 0.000 1.267 395 I CB 1.554 38.977 38.000 -0.961 0.000 1.386 395 I HN 0.396 nan 8.210 nan 0.000 0.476 396 G N 4.852 113.270 108.800 -0.636 0.000 2.416 396 G HA2 0.410 4.370 3.960 0.001 0.000 0.329 396 G HA3 0.410 4.370 3.960 0.001 0.000 0.329 396 G C -1.266 173.263 174.900 -0.617 0.000 1.173 396 G CA -0.534 44.234 45.100 -0.554 0.000 0.929 396 G HN 0.676 nan 8.290 nan 0.000 0.475 397 W N 2.149 123.438 121.300 -0.019 0.000 1.518 397 W HA 0.283 4.944 4.660 0.001 0.000 0.426 397 W C 1.278 177.697 176.519 -0.166 0.000 0.675 397 W CA -0.715 56.635 57.345 0.009 0.000 1.936 397 W CB 0.244 29.746 29.460 0.070 0.000 1.749 397 W HN 0.551 nan 8.180 nan 0.000 0.247 398 T N -1.293 113.272 114.554 0.018 0.000 3.535 398 T HA 0.118 4.469 4.350 0.001 0.000 0.238 398 T C 0.047 174.723 174.700 -0.040 0.000 0.909 398 T CA -0.605 61.458 62.100 -0.063 0.000 0.928 398 T CB -1.450 67.404 68.868 -0.023 0.000 1.134 398 T HN 0.158 nan 8.240 nan 0.000 0.627 399 F N -0.043 119.950 119.950 0.071 0.000 2.370 399 F HA 0.803 5.331 4.527 0.001 0.000 0.319 399 F C 0.311 176.067 175.800 -0.073 0.000 1.129 399 F CA -2.265 55.741 58.000 0.010 0.000 1.109 399 F CB 0.255 39.300 39.000 0.076 0.000 1.262 399 F HN 0.163 nan 8.300 nan 0.000 0.534 400 A N 1.483 124.374 122.820 0.119 0.000 2.328 400 A HA 0.278 4.598 4.320 0.001 0.000 0.284 400 A C 0.686 178.417 177.584 0.245 0.000 1.160 400 A CA -0.539 51.469 52.037 -0.048 0.000 0.818 400 A CB -0.067 18.869 19.000 -0.107 0.000 1.087 400 A HN 0.838 nan 8.150 nan 0.000 0.504 401 D N 1.804 122.320 120.400 0.193 0.000 2.178 401 D HA -0.122 4.519 4.640 0.001 0.000 0.201 401 D C 1.531 177.963 176.300 0.220 0.000 0.980 401 D CA 1.757 55.903 54.000 0.244 0.000 0.842 401 D CB 0.071 40.979 40.800 0.181 0.000 0.948 401 D HN 0.766 nan 8.370 nan 0.000 0.472 402 E N 0.570 120.896 120.200 0.210 0.000 2.077 402 E HA -0.124 4.226 4.350 0.001 0.000 0.193 402 E C 1.607 178.304 176.600 0.162 0.000 0.989 402 E CA 0.996 57.499 56.400 0.172 0.000 0.800 402 E CB -0.070 29.728 29.700 0.164 0.000 0.746 402 E HN 0.237 nan 8.360 nan 0.000 0.452 403 D N 0.242 120.737 120.400 0.157 0.000 2.097 403 D HA -0.105 4.535 4.640 0.001 0.000 0.197 403 D C 1.884 178.264 176.300 0.133 0.000 0.984 403 D CA 1.546 55.616 54.000 0.116 0.000 0.826 403 D CB -0.459 40.404 40.800 0.104 0.000 0.973 403 D HN 0.206 nan 8.370 nan 0.000 0.460 404 A N 1.009 123.917 122.820 0.146 0.000 1.902 404 A HA -0.061 4.260 4.320 0.001 0.000 0.217 404 A C 2.294 179.921 177.584 0.072 0.000 1.181 404 A CA 2.237 54.312 52.037 0.063 0.000 0.623 404 A CB -0.790 18.279 19.000 0.114 0.000 0.818 404 A HN 0.232 nan 8.150 nan 0.000 0.443 405 A N -1.875 121.016 122.820 0.119 0.000 1.972 405 A HA -0.142 4.179 4.320 0.001 0.000 0.219 405 A C 2.073 179.702 177.584 0.076 0.000 1.169 405 A CA 1.581 53.671 52.037 0.088 0.000 0.635 405 A CB -0.745 18.314 19.000 0.098 0.000 0.810 405 A HN 0.701 nan 8.150 nan 0.000 0.446 406 Y N 0.061 120.362 120.300 0.002 0.000 2.421 406 Y HA 0.011 4.561 4.550 0.001 0.000 0.292 406 Y C 1.558 177.445 175.900 -0.021 0.000 1.136 406 Y CA 1.361 59.454 58.100 -0.011 0.000 1.255 406 Y CB 0.008 38.457 38.460 -0.017 0.000 0.991 406 Y HN 0.224 nan 8.280 nan 0.000 0.552 407 L N -0.968 120.318 121.223 0.105 0.000 2.607 407 L HA 0.263 4.604 4.340 0.001 0.000 0.228 407 L C 1.434 178.272 176.870 -0.054 0.000 1.123 407 L CA 0.550 55.404 54.840 0.022 0.000 0.890 407 L CB -0.365 41.697 42.059 0.005 0.000 1.103 407 L HN 0.361 nan 8.230 nan 0.000 0.468 408 G N 1.422 110.188 108.800 -0.055 0.000 2.160 408 G HA2 -0.269 3.691 3.960 0.001 0.000 0.244 408 G HA3 -0.269 3.691 3.960 0.001 0.000 0.244 408 G C -0.011 174.852 174.900 -0.061 0.000 1.022 408 G CA -0.112 44.951 45.100 -0.061 0.000 0.741 408 G HN 0.316 nan 8.290 nan 0.000 0.508 409 I N 0.937 121.469 120.570 -0.065 0.000 2.378 409 I HA 0.432 4.603 4.170 0.001 0.000 0.291 409 I C 0.621 176.739 176.117 0.001 0.000 0.992 409 I CA -0.725 60.515 61.300 -0.100 0.000 1.154 409 I CB 2.010 39.849 38.000 -0.269 0.000 1.315 409 I HN 0.147 nan 8.210 nan 0.000 0.448 410 S N 4.375 120.105 115.700 0.051 0.000 2.416 410 S HA 0.250 4.720 4.470 0.001 0.000 0.287 410 S C 1.300 176.044 174.600 0.241 0.000 1.139 410 S CA -0.183 58.101 58.200 0.141 0.000 1.058 410 S CB 0.915 64.202 63.200 0.145 0.000 0.967 410 S HN 0.856 nan 8.310 nan 0.000 0.495 411 G N 4.163 113.144 108.800 0.302 0.000 2.476 411 G HA2 -0.263 3.698 3.960 0.001 0.000 0.218 411 G HA3 -0.263 3.698 3.960 0.001 0.000 0.218 411 G C 1.064 176.176 174.900 0.354 0.000 1.164 411 G CA 1.184 46.546 45.100 0.437 0.000 0.768 411 G HN 0.842 nan 8.290 nan 0.000 0.560 412 Y N 1.913 122.323 120.300 0.184 0.000 2.114 412 Y HA -0.148 4.402 4.550 0.001 0.000 0.284 412 Y C 2.584 178.582 175.900 0.163 0.000 1.143 412 Y CA 2.224 60.413 58.100 0.148 0.000 1.135 412 Y CB -0.115 38.410 38.460 0.107 0.000 0.980 412 Y HN 0.210 nan 8.280 nan 0.000 0.499 413 D N -1.421 119.180 120.400 0.334 0.000 2.144 413 D HA -0.192 4.449 4.640 0.001 0.000 0.199 413 D C 1.935 178.336 176.300 0.169 0.000 0.984 413 D CA 1.773 55.914 54.000 0.237 0.000 0.834 413 D CB -0.573 40.364 40.800 0.228 0.000 0.955 413 D HN 0.486 nan 8.370 nan 0.000 0.465 414 H N 1.142 120.277 119.070 0.109 0.000 2.357 414 H HA 0.083 4.640 4.556 0.001 0.000 0.301 414 H C 1.965 177.329 175.328 0.060 0.000 1.082 414 H CA 1.374 57.481 56.048 0.098 0.000 1.342 414 H CB 0.210 30.036 29.762 0.106 0.000 1.389 414 H HN -0.038 nan 8.280 nan 0.000 0.511 415 R N -0.186 120.354 120.500 0.067 0.000 2.115 415 R HA -0.103 4.238 4.340 0.001 0.000 0.230 415 R C 2.243 178.424 176.300 -0.197 0.000 1.111 415 R CA 1.097 57.121 56.100 -0.127 0.000 0.976 415 R CB 0.014 30.308 30.300 -0.011 0.000 0.870 415 R HN 0.457 nan 8.270 nan 0.000 0.445 416 Q N 0.067 119.772 119.800 -0.158 0.000 2.084 416 Q HA -0.188 4.152 4.340 0.001 0.000 0.202 416 Q C 1.942 177.891 176.000 -0.085 0.000 0.978 416 Q CA 1.424 57.163 55.803 -0.106 0.000 0.844 416 Q CB -0.346 28.357 28.738 -0.058 0.000 0.898 416 Q HN 0.305 nan 8.270 nan 0.000 0.426 417 F N 1.276 121.085 119.950 -0.234 0.000 2.075 417 F HA -0.165 4.362 4.527 0.001 0.000 0.297 417 F C 2.044 177.608 175.800 -0.394 0.000 1.113 417 F CA 1.107 58.907 58.000 -0.333 0.000 1.218 417 F CB -0.497 38.243 39.000 -0.435 0.000 0.984 417 F HN -0.045 nan 8.300 nan 0.000 0.472 418 L N 0.377 121.086 121.223 -0.856 0.000 2.042 418 L HA -0.290 4.051 4.340 0.001 0.000 0.210 418 L C 2.158 178.779 176.870 -0.415 0.000 1.076 418 L CA 2.107 56.374 54.840 -0.955 0.000 0.749 418 L CB -0.991 40.232 42.059 -1.393 0.000 0.893 418 L HN 0.267 nan 8.230 nan 0.000 0.432 419 N N -0.573 117.991 118.700 -0.227 0.000 2.106 419 N HA -0.152 4.588 4.740 0.001 0.000 0.188 419 N C 1.935 177.453 175.510 0.013 0.000 1.029 419 N CA 0.934 54.041 53.050 0.094 0.000 0.848 419 N CB -0.016 38.556 38.487 0.141 0.000 1.007 419 N HN 0.221 nan 8.380 nan 0.000 0.423 420 R N -0.088 120.348 120.500 -0.106 0.000 2.081 420 R HA -0.119 4.222 4.340 0.001 0.000 0.235 420 R C 1.930 178.154 176.300 -0.127 0.000 1.131 420 R CA 1.144 57.203 56.100 -0.069 0.000 0.960 420 R CB -0.444 29.854 30.300 -0.004 0.000 0.856 420 R HN 0.248 nan 8.270 nan 0.000 0.436 421 F N 0.481 120.096 119.950 -0.559 0.000 2.102 421 F HA -0.185 4.342 4.527 0.001 0.000 0.298 421 F C 1.593 177.052 175.800 -0.568 0.000 1.105 421 F CA 1.510 59.089 58.000 -0.702 0.000 1.239 421 F CB -0.177 37.994 39.000 -1.382 0.000 0.991 421 F HN -0.129 nan 8.300 nan 0.000 0.474 422 F N -0.247 119.701 119.950 -0.003 0.000 2.748 422 F HA 0.010 4.537 4.527 0.001 0.000 0.299 422 F C 1.814 177.594 175.800 -0.034 0.000 1.154 422 F CA 0.862 58.878 58.000 0.026 0.000 1.446 422 F CB -0.503 38.597 39.000 0.168 0.000 1.112 422 F HN -0.035 nan 8.300 nan 0.000 0.584 423 V N -2.976 116.978 119.914 0.068 0.000 3.271 423 V HA 0.311 4.431 4.120 0.001 0.000 0.327 423 V C 0.632 176.714 176.094 -0.019 0.000 1.389 423 V CA -0.055 62.278 62.300 0.055 0.000 1.156 423 V CB -0.884 30.986 31.823 0.078 0.000 1.103 423 V HN 0.379 nan 8.190 nan 0.000 0.453 424 N N 2.082 120.710 118.700 -0.121 0.000 2.756 424 N HA -0.193 4.548 4.740 0.001 0.000 0.248 424 N C 0.255 175.713 175.510 -0.087 0.000 1.062 424 N CA 0.778 53.737 53.050 -0.152 0.000 0.696 424 N CB -0.686 37.748 38.487 -0.089 0.000 0.946 424 N HN 0.602 nan 8.380 nan 0.000 0.548 425 R N 0.333 120.797 120.500 -0.060 0.000 2.727 425 R HA 0.309 4.650 4.340 0.001 0.000 0.410 425 R C -0.758 175.587 176.300 0.076 0.000 1.101 425 R CA -0.196 55.901 56.100 -0.005 0.000 1.045 425 R CB -0.465 29.838 30.300 0.006 0.000 1.380 425 R HN 0.300 nan 8.270 nan 0.000 0.587 426 F N 0.505 120.369 119.950 -0.144 0.000 2.573 426 F HA 0.229 4.756 4.527 0.001 0.000 0.316 426 F C -0.513 175.232 175.800 -0.093 0.000 1.148 426 F CA -1.765 56.187 58.000 -0.079 0.000 0.940 426 F CB 1.490 40.459 39.000 -0.053 0.000 1.214 426 F HN 0.005 nan 8.300 nan 0.000 0.448 427 D N 4.126 124.140 120.400 -0.645 0.000 2.581 427 D HA 0.342 4.983 4.640 0.001 0.000 0.238 427 D C 1.199 177.330 176.300 -0.282 0.000 1.145 427 D CA 2.486 56.227 54.000 -0.430 0.000 0.866 427 D CB 0.551 41.098 40.800 -0.421 0.000 1.151 427 D HN 1.073 nan 8.370 nan 0.000 0.500 428 G N 2.639 111.361 108.800 -0.130 0.000 2.179 428 G HA2 -0.314 3.647 3.960 0.001 0.000 0.260 428 G HA3 -0.314 3.647 3.960 0.001 0.000 0.260 428 G C 0.502 175.378 174.900 -0.041 0.000 0.977 428 G CA 0.408 45.492 45.100 -0.026 0.000 0.641 428 G HN 0.875 nan 8.290 nan 0.000 0.533 429 S N 0.036 115.600 115.700 -0.227 0.000 2.558 429 S HA 0.417 4.888 4.470 0.001 0.000 0.288 429 S C 1.360 175.677 174.600 -0.471 0.000 1.318 429 S CA 0.612 58.363 58.200 -0.748 0.000 1.056 429 S CB 0.069 62.516 63.200 -1.256 0.000 0.853 429 S HN 1.176 nan 8.310 nan 0.000 0.505 430 F N 2.185 121.988 119.950 -0.246 0.000 2.749 430 F HA 0.595 5.122 4.527 0.001 0.000 0.300 430 F C 0.742 176.514 175.800 -0.047 0.000 1.103 430 F CA -0.625 57.347 58.000 -0.047 0.000 1.342 430 F CB -0.919 38.141 39.000 0.100 0.000 1.098 430 F HN 0.542 nan 8.300 nan 0.000 0.586 431 A N 1.600 124.285 122.820 -0.225 0.000 2.340 431 A HA 0.668 4.989 4.320 0.001 0.000 0.268 431 A C 0.548 178.136 177.584 0.007 0.000 1.100 431 A CA -0.631 51.426 52.037 0.034 0.000 0.803 431 A CB 0.399 19.357 19.000 -0.071 0.000 1.043 431 A HN 0.320 nan 8.150 nan 0.000 0.488 432 R N 2.041 122.611 120.500 0.117 0.000 2.782 432 R HA 0.258 4.599 4.340 0.001 0.000 0.293 432 R C 0.345 176.711 176.300 0.109 0.000 1.333 432 R CA 0.113 56.267 56.100 0.089 0.000 1.479 432 R CB 0.652 31.012 30.300 0.100 0.000 1.306 432 R HN 0.842 nan 8.270 nan 0.000 0.654 433 G N -0.303 108.566 108.800 0.113 0.000 2.557 433 G HA2 0.560 4.521 3.960 0.001 0.000 0.302 433 G HA3 0.560 4.521 3.960 0.001 0.000 0.302 433 G C -0.722 174.245 174.900 0.112 0.000 1.311 433 G CA -0.276 44.886 45.100 0.103 0.000 1.030 433 G HN 0.026 nan 8.290 nan 0.000 0.509 434 V N 0.524 120.504 119.914 0.110 0.000 2.925 434 V HA 0.407 4.527 4.120 0.001 0.000 0.311 434 V C -2.327 173.855 176.094 0.145 0.000 1.104 434 V CA -1.386 61.000 62.300 0.144 0.000 0.954 434 V CB 2.454 34.398 31.823 0.201 0.000 1.022 434 V HN 0.562 nan 8.190 nan 0.000 0.427 435 P HA 0.264 nan 4.420 nan 0.000 0.269 435 P C -1.268 176.190 177.300 0.262 0.000 1.215 435 P CA 0.022 63.235 63.100 0.188 0.000 0.780 435 P CB 0.302 32.093 31.700 0.151 0.000 0.898 436 F N 2.131 122.125 119.950 0.074 0.000 2.617 436 F HA 0.238 4.765 4.527 0.001 0.000 0.325 436 F C -0.404 175.449 175.800 0.088 0.000 1.179 436 F CA -0.345 57.685 58.000 0.050 0.000 0.965 436 F CB 1.094 40.086 39.000 -0.012 0.000 1.232 436 F HN 0.256 nan 8.300 nan 0.000 0.461 437 Q N 4.187 123.671 119.800 -0.526 0.000 2.463 437 Q HA -0.304 4.036 4.340 0.001 0.000 0.299 437 Q C -1.079 174.856 176.000 -0.108 0.000 1.353 437 Q CA 0.695 56.249 55.803 -0.415 0.000 0.828 437 Q CB -2.192 26.181 28.738 -0.609 0.000 1.157 437 Q HN 0.767 nan 8.270 nan 0.000 0.436 438 Y N 1.461 121.715 120.300 -0.076 0.000 2.632 438 Y HA 0.192 4.742 4.550 0.001 0.000 0.329 438 Y C 0.307 176.196 175.900 -0.018 0.000 1.174 438 Y CA -0.216 57.876 58.100 -0.012 0.000 1.469 438 Y CB 0.529 39.002 38.460 0.021 0.000 1.242 438 Y HN 0.151 nan 8.280 nan 0.000 0.540 439 N N 9.063 127.332 118.700 -0.719 0.000 2.621 439 N HA 0.254 4.995 4.740 0.001 0.000 0.237 439 N C -2.109 172.920 175.510 -0.802 0.000 0.997 439 N CA -2.394 50.316 53.050 -0.566 0.000 0.918 439 N CB 1.361 39.680 38.487 -0.281 0.000 1.122 439 N HN 0.445 nan 8.380 nan 0.000 0.510 440 P HA -0.071 nan 4.420 nan 0.000 0.223 440 P C 0.652 177.875 177.300 -0.129 0.000 1.144 440 P CA 0.901 63.794 63.100 -0.345 0.000 0.783 440 P CB 0.517 32.212 31.700 -0.009 0.000 0.771 441 S N -0.752 114.869 115.700 -0.131 0.000 2.470 441 S HA -0.025 4.445 4.470 0.001 0.000 0.225 441 S C 1.800 176.380 174.600 -0.032 0.000 1.006 441 S CA 1.621 59.788 58.200 -0.056 0.000 0.934 441 S CB -0.546 62.622 63.200 -0.053 0.000 0.778 441 S HN 0.449 nan 8.310 nan 0.000 0.517 442 T N -3.111 111.410 114.554 -0.055 0.000 2.975 442 T HA 0.455 4.806 4.350 0.001 0.000 0.261 442 T C 1.485 176.253 174.700 0.114 0.000 0.984 442 T CA 0.813 62.928 62.100 0.025 0.000 0.911 442 T CB 0.408 69.280 68.868 0.006 0.000 1.127 442 T HN 0.455 nan 8.240 nan 0.000 0.514 443 G N 1.557 110.362 108.800 0.008 0.000 2.184 443 G HA2 -0.266 3.695 3.960 0.001 0.000 0.264 443 G HA3 -0.266 3.695 3.960 0.001 0.000 0.264 443 G C -0.173 174.770 174.900 0.072 0.000 0.975 443 G CA 0.310 45.488 45.100 0.130 0.000 0.642 443 G HN 0.868 nan 8.290 nan 0.000 0.536 444 D N -0.705 119.690 120.400 -0.008 0.000 2.362 444 D HA 0.577 5.217 4.640 0.001 0.000 0.242 444 D C 0.291 176.628 176.300 0.062 0.000 1.132 444 D CA 0.584 54.600 54.000 0.025 0.000 0.907 444 D CB 0.970 41.776 40.800 0.010 0.000 1.195 444 D HN 0.536 nan 8.370 nan 0.000 0.429 445 C N 2.318 121.706 119.300 0.146 0.000 3.284 445 C HA 0.668 5.129 4.460 0.001 0.000 0.338 445 C C -1.315 173.790 174.990 0.192 0.000 1.237 445 C CA -0.605 58.532 59.018 0.198 0.000 1.276 445 C CB 0.839 28.773 27.740 0.323 0.000 1.601 445 C HN 0.842 nan 8.230 nan 0.000 0.494 446 R N 1.555 122.152 120.500 0.162 0.000 2.939 446 R HA 0.895 5.235 4.340 0.001 0.000 0.254 446 R C -1.364 175.009 176.300 0.123 0.000 1.123 446 R CA -0.548 55.600 56.100 0.080 0.000 1.020 446 R CB 1.602 31.972 30.300 0.116 0.000 1.206 446 R HN 0.496 nan 8.270 nan 0.000 0.491 447 V N 0.579 120.465 119.914 -0.047 0.000 2.604 447 V HA 0.503 4.624 4.120 0.001 0.000 0.305 447 V C -0.565 175.443 176.094 -0.144 0.000 1.043 447 V CA -0.634 61.645 62.300 -0.035 0.000 0.888 447 V CB 1.988 33.781 31.823 -0.050 0.000 0.995 447 V HN 0.726 nan 8.190 nan 0.000 0.429 448 S N 1.912 117.581 115.700 -0.052 0.000 2.621 448 S HA 0.971 5.441 4.470 0.001 0.000 0.302 448 S C 0.128 174.727 174.600 -0.002 0.000 1.093 448 S CA -0.052 58.135 58.200 -0.022 0.000 1.017 448 S CB 1.824 64.962 63.200 -0.103 0.000 1.077 448 S HN 1.511 nan 8.310 nan 0.000 0.517 449 G N 1.177 110.045 108.800 0.113 0.000 2.307 449 G HA2 0.284 4.244 3.960 0.001 0.000 0.348 449 G HA3 0.284 4.244 3.960 0.001 0.000 0.348 449 G C -0.487 174.371 174.900 -0.071 0.000 1.603 449 G CA -0.470 44.642 45.100 0.019 0.000 0.961 449 G HN 0.874 nan 8.290 nan 0.000 0.686 450 T N -0.471 114.113 114.554 0.051 0.000 2.813 450 T HA 0.623 4.974 4.350 0.001 0.000 0.297 450 T C 1.953 176.691 174.700 0.063 0.000 1.036 450 T CA 0.833 62.976 62.100 0.072 0.000 1.044 450 T CB 1.508 70.491 68.868 0.192 0.000 0.993 450 T HN 2.092 nan 8.240 nan 0.000 0.535 451 A N 1.433 124.355 122.820 0.170 0.000 1.908 451 A HA 0.102 4.423 4.320 0.001 0.000 0.218 451 A C 2.687 180.484 177.584 0.354 0.000 1.181 451 A CA 2.063 54.318 52.037 0.363 0.000 0.627 451 A CB -1.605 17.685 19.000 0.484 0.000 0.818 451 A HN 1.297 nan 8.150 nan 0.000 0.445 452 A N -0.323 122.654 122.820 0.261 0.000 1.933 452 A HA 0.162 4.483 4.320 0.001 0.000 0.218 452 A C 2.485 180.186 177.584 0.196 0.000 1.175 452 A CA 2.083 54.245 52.037 0.208 0.000 0.628 452 A CB -0.942 18.154 19.000 0.161 0.000 0.814 452 A HN 1.086 nan 8.150 nan 0.000 0.444 453 A N -0.318 122.608 122.820 0.177 0.000 1.930 453 A HA 0.030 4.350 4.320 0.001 0.000 0.217 453 A C 2.063 179.773 177.584 0.210 0.000 1.175 453 A CA 1.385 53.520 52.037 0.164 0.000 0.627 453 A CB -0.520 18.560 19.000 0.132 0.000 0.815 453 A HN 0.473 nan 8.150 nan 0.000 0.443 454 L N -0.033 121.323 121.223 0.223 0.000 2.313 454 L HA -0.060 4.280 4.340 0.001 0.000 0.214 454 L C 2.120 179.395 176.870 0.674 0.000 1.119 454 L CA 0.957 56.008 54.840 0.352 0.000 0.809 454 L CB -0.210 41.816 42.059 -0.055 0.000 0.933 454 L HN 0.425 nan 8.230 nan 0.000 0.449 455 V N -3.996 116.231 119.914 0.521 0.000 3.647 455 V HA 0.476 4.597 4.120 0.001 0.000 0.279 455 V C 1.257 177.450 176.094 0.165 0.000 1.314 455 V CA 0.480 62.985 62.300 0.343 0.000 1.125 455 V CB -0.040 31.872 31.823 0.149 0.000 0.907 455 V HN 0.435 nan 8.190 nan 0.000 0.434 456 G N 0.569 109.526 108.800 0.263 0.000 2.144 456 G HA2 -0.228 3.733 3.960 0.001 0.000 0.218 456 G HA3 -0.228 3.733 3.960 0.001 0.000 0.218 456 G C 0.308 175.275 174.900 0.113 0.000 0.988 456 G CA 0.276 45.493 45.100 0.195 0.000 0.659 456 G HN 0.527 nan 8.290 nan 0.000 0.522 457 L N 0.887 122.173 121.223 0.106 0.000 2.201 457 L HA 0.478 4.818 4.340 0.001 0.000 0.212 457 L C 2.864 179.778 176.870 0.073 0.000 1.105 457 L CA 2.830 57.714 54.840 0.074 0.000 0.775 457 L CB -0.561 41.544 42.059 0.077 0.000 0.913 457 L HN 0.632 nan 8.230 nan 0.000 0.440 458 A N -0.525 122.349 122.820 0.091 0.000 1.940 458 A HA -0.204 4.117 4.320 0.001 0.000 0.219 458 A C 1.958 179.580 177.584 0.064 0.000 1.176 458 A CA 1.715 53.800 52.037 0.080 0.000 0.631 458 A CB -0.478 18.578 19.000 0.094 0.000 0.814 458 A HN 0.674 nan 8.150 nan 0.000 0.446 459 Q N -1.261 118.579 119.800 0.067 0.000 2.220 459 Q HA 0.088 4.429 4.340 0.001 0.000 0.205 459 Q C -1.009 175.017 176.000 0.042 0.000 0.865 459 Q CA 0.581 56.416 55.803 0.053 0.000 0.960 459 Q CB -0.132 28.642 28.738 0.059 0.000 1.097 459 Q HN 0.553 nan 8.270 nan 0.000 0.493 460 D N 1.784 122.207 120.400 0.039 0.000 2.746 460 D HA -0.142 4.499 4.640 0.001 0.000 0.236 460 D C -0.742 175.565 176.300 0.011 0.000 1.129 460 D CA 1.066 55.078 54.000 0.021 0.000 0.691 460 D CB -1.075 39.733 40.800 0.013 0.000 1.077 460 D HN 0.504 nan 8.370 nan 0.000 0.432 461 D N 1.092 121.507 120.400 0.024 0.000 2.450 461 D HA 0.011 4.651 4.640 0.001 0.000 0.247 461 D C -0.687 175.588 176.300 -0.041 0.000 1.162 461 D CA -1.150 52.859 54.000 0.015 0.000 0.879 461 D CB 1.169 42.000 40.800 0.051 0.000 1.163 461 D HN 0.084 nan 8.370 nan 0.000 0.472 462 P HA -0.154 nan 4.420 nan 0.000 0.223 462 P C 0.420 177.590 177.300 -0.216 0.000 1.144 462 P CA 1.303 64.293 63.100 -0.183 0.000 0.783 462 P CB 0.055 31.599 31.700 -0.261 0.000 0.771 463 H N -1.306 117.731 119.070 -0.055 0.000 2.575 463 H HA 0.341 4.898 4.556 0.001 0.000 0.267 463 H C 2.131 177.303 175.328 -0.260 0.000 0.966 463 H CA 0.331 56.310 56.048 -0.115 0.000 1.165 463 H CB 0.120 29.838 29.762 -0.074 0.000 1.433 463 H HN 0.071 nan 8.280 nan 0.000 0.544 464 A N 0.633 123.399 122.820 -0.091 0.000 1.865 464 A HA -0.183 4.137 4.320 0.001 0.000 0.217 464 A C 2.386 179.913 177.584 -0.094 0.000 1.191 464 A CA 1.864 53.834 52.037 -0.111 0.000 0.623 464 A CB -0.961 18.023 19.000 -0.027 0.000 0.826 464 A HN 0.238 nan 8.150 nan 0.000 0.444 465 V N 0.788 120.671 119.914 -0.053 0.000 2.332 465 V HA -0.283 3.838 4.120 0.001 0.000 0.248 465 V C 2.161 178.219 176.094 -0.060 0.000 1.055 465 V CA 2.420 64.699 62.300 -0.035 0.000 1.038 465 V CB -0.841 30.969 31.823 -0.021 0.000 0.651 465 V HN 0.536 nan 8.190 nan 0.000 0.450 466 D N -0.495 119.858 120.400 -0.078 0.000 2.178 466 D HA -0.118 4.523 4.640 0.001 0.000 0.202 466 D C 2.398 178.574 176.300 -0.206 0.000 0.974 466 D CA 0.965 54.914 54.000 -0.085 0.000 0.841 466 D CB -0.202 40.610 40.800 0.019 0.000 0.953 466 D HN 0.416 nan 8.370 nan 0.000 0.478 467 R N 0.219 120.485 120.500 -0.390 0.000 2.075 467 R HA -0.000 4.340 4.340 0.001 0.000 0.232 467 R C 2.540 178.691 176.300 -0.248 0.000 1.126 467 R CA 0.627 56.419 56.100 -0.513 0.000 0.963 467 R CB -0.180 29.745 30.300 -0.625 0.000 0.858 467 R HN 0.214 nan 8.270 nan 0.000 0.435 468 I N 0.941 121.446 120.570 -0.109 0.000 2.226 468 I HA -0.311 3.859 4.170 0.001 0.000 0.245 468 I C 2.605 178.766 176.117 0.074 0.000 1.100 468 I CA 1.314 62.639 61.300 0.040 0.000 1.374 468 I CB -0.276 37.788 38.000 0.106 0.000 1.057 468 I HN 0.157 nan 8.210 nan 0.000 0.413 469 K N 1.039 121.441 120.400 0.002 0.000 2.057 469 K HA -0.238 4.083 4.320 0.001 0.000 0.207 469 K C 2.230 178.819 176.600 -0.019 0.000 1.049 469 K CA 1.492 57.779 56.287 0.001 0.000 0.931 469 K CB -0.116 32.355 32.500 -0.048 0.000 0.714 469 K HN 0.129 nan 8.250 nan 0.000 0.440 470 L N 1.536 122.701 121.223 -0.096 0.000 2.017 470 L HA -0.140 4.201 4.340 0.001 0.000 0.208 470 L C 1.977 178.782 176.870 -0.108 0.000 1.073 470 L CA 1.518 56.271 54.840 -0.145 0.000 0.745 470 L CB -0.418 41.463 42.059 -0.296 0.000 0.894 470 L HN 0.216 nan 8.230 nan 0.000 0.432 471 L N -1.715 119.409 121.223 -0.165 0.000 1.989 471 L HA -0.272 4.069 4.340 0.001 0.000 0.211 471 L C 2.564 179.343 176.870 -0.152 0.000 1.071 471 L CA 1.660 56.371 54.840 -0.215 0.000 0.749 471 L CB -0.922 40.877 42.059 -0.434 0.000 0.890 471 L HN 0.261 nan 8.230 nan 0.000 0.431 472 Y N 0.511 120.798 120.300 -0.021 0.000 2.333 472 Y HA -0.249 4.302 4.550 0.001 0.000 0.290 472 Y C 3.096 179.062 175.900 0.110 0.000 1.144 472 Y CA 1.514 59.641 58.100 0.045 0.000 1.228 472 Y CB -0.443 38.043 38.460 0.044 0.000 0.985 472 Y HN 0.320 nan 8.280 nan 0.000 0.542 473 S N -0.292 115.550 115.700 0.237 0.000 2.382 473 S HA -0.196 4.275 4.470 0.001 0.000 0.228 473 S C 1.923 176.812 174.600 0.482 0.000 1.027 473 S CA 1.490 59.906 58.200 0.360 0.000 0.991 473 S CB -0.880 62.425 63.200 0.176 0.000 0.823 473 S HN 0.490 nan 8.310 nan 0.000 0.469 474 I N 2.003 122.759 120.570 0.310 0.000 2.286 474 I HA -0.044 4.126 4.170 0.001 0.000 0.245 474 I C 3.046 179.252 176.117 0.149 0.000 1.104 474 I CA 1.013 62.483 61.300 0.285 0.000 1.397 474 I CB -0.587 37.549 38.000 0.226 0.000 1.072 474 I HN 0.437 nan 8.210 nan 0.000 0.417 475 A N 0.703 123.576 122.820 0.089 0.000 1.969 475 A HA -0.080 4.240 4.320 0.001 0.000 0.218 475 A C 2.212 179.871 177.584 0.124 0.000 1.169 475 A CA 1.198 53.270 52.037 0.058 0.000 0.635 475 A CB -0.609 18.391 19.000 0.000 0.000 0.810 475 A HN 0.403 nan 8.150 nan 0.000 0.445 476 L N -0.097 121.247 121.223 0.202 0.000 2.418 476 L HA -0.025 4.316 4.340 0.001 0.000 0.218 476 L C 2.211 179.154 176.870 0.121 0.000 1.125 476 L CA 1.201 56.150 54.840 0.182 0.000 0.835 476 L CB 0.053 42.272 42.059 0.267 0.000 0.953 476 L HN 0.567 nan 8.230 nan 0.000 0.454 477 S N -3.449 112.358 115.700 0.178 0.000 2.632 477 S HA -0.022 4.449 4.470 0.001 0.000 0.237 477 S C 1.674 176.339 174.600 0.109 0.000 1.037 477 S CA 0.274 58.558 58.200 0.141 0.000 1.009 477 S CB -0.096 63.111 63.200 0.013 0.000 0.974 477 S HN 0.347 nan 8.310 nan 0.000 0.544 478 T N -0.765 113.777 114.554 -0.019 0.000 2.995 478 T HA 0.438 4.789 4.350 0.001 0.000 0.269 478 T C 1.241 175.899 174.700 -0.070 0.000 1.091 478 T CA 0.608 62.529 62.100 -0.297 0.000 1.128 478 T CB -0.681 67.901 68.868 -0.477 0.000 0.891 478 T HN 1.521 nan 8.240 nan 0.000 0.492 479 G N -0.561 108.304 108.800 0.109 0.000 3.435 479 G HA2 0.499 4.460 3.960 0.001 0.000 0.683 479 G HA3 0.499 4.460 3.960 0.001 0.000 0.683 479 G C -0.090 174.943 174.900 0.222 0.000 1.189 479 G CA -0.648 44.564 45.100 0.188 0.000 1.069 479 G HN 1.602 nan 8.290 nan 0.000 0.508 480 G N -0.253 108.617 108.800 0.116 0.000 2.361 480 G HA2 0.460 4.421 3.960 0.001 0.000 0.331 480 G HA3 0.460 4.421 3.960 0.001 0.000 0.331 480 G C -0.816 174.096 174.900 0.021 0.000 1.324 480 G CA -0.329 44.824 45.100 0.088 0.000 0.984 480 G HN 1.672 nan 8.290 nan 0.000 0.586 481 L N 2.710 123.908 121.223 -0.041 0.000 2.283 481 L HA 0.471 4.812 4.340 0.001 0.000 0.287 481 L C -1.604 175.204 176.870 -0.105 0.000 1.073 481 L CA -1.841 52.921 54.840 -0.130 0.000 0.822 481 L CB 1.286 43.184 42.059 -0.267 0.000 1.186 481 L HN 0.388 nan 8.230 nan 0.000 0.436 482 P HA 0.134 nan 4.420 nan 0.000 0.280 482 P C -1.250 176.043 177.300 -0.012 0.000 1.244 482 P CA -0.536 62.578 63.100 0.023 0.000 0.784 482 P CB 1.888 33.635 31.700 0.079 0.000 0.913 483 L N 4.767 126.042 121.223 0.087 0.000 2.349 483 L HA 0.465 4.806 4.340 0.001 0.000 0.278 483 L C -0.572 176.481 176.870 0.303 0.000 0.996 483 L CA -0.799 54.107 54.840 0.111 0.000 0.825 483 L CB 0.898 43.008 42.059 0.086 0.000 1.243 483 L HN 0.248 nan 8.230 nan 0.000 0.412 484 I N 4.885 125.622 120.570 0.280 0.000 2.342 484 I HA 0.155 4.325 4.170 0.001 0.000 0.291 484 I C -0.906 175.429 176.117 0.363 0.000 1.010 484 I CA -0.673 60.851 61.300 0.373 0.000 1.308 484 I CB 0.914 39.015 38.000 0.170 0.000 1.400 484 I HN 0.557 nan 8.210 nan 0.000 0.488 485 Y N 7.511 128.019 120.300 0.347 0.000 2.539 485 Y HA 0.299 4.850 4.550 0.001 0.000 0.352 485 Y C 0.027 176.083 175.900 0.260 0.000 1.004 485 Y CA -0.442 57.827 58.100 0.281 0.000 1.278 485 Y CB 0.214 38.861 38.460 0.312 0.000 1.136 485 Y HN 0.372 nan 8.280 nan 0.000 0.528 486 L N 6.748 127.932 121.223 -0.065 0.000 2.559 486 L HA 0.100 4.440 4.340 0.001 0.000 0.274 486 L C 1.250 178.238 176.870 0.197 0.000 1.205 486 L CA 1.352 56.228 54.840 0.060 0.000 0.907 486 L CB -0.076 41.858 42.059 -0.208 0.000 1.153 486 L HN 1.065 nan 8.230 nan 0.000 0.490 487 G N 1.762 110.814 108.800 0.419 0.000 2.428 487 G HA2 -0.227 3.734 3.960 0.001 0.000 0.199 487 G HA3 -0.227 3.734 3.960 0.001 0.000 0.199 487 G C 0.672 175.726 174.900 0.257 0.000 1.005 487 G CA 0.059 45.393 45.100 0.390 0.000 0.671 487 G HN 0.590 nan 8.290 nan 0.000 0.485 488 D N 1.470 122.051 120.400 0.302 0.000 2.178 488 D HA -0.007 4.634 4.640 0.001 0.000 0.202 488 D C 2.433 178.800 176.300 0.111 0.000 0.974 488 D CA 1.323 55.482 54.000 0.264 0.000 0.841 488 D CB -0.090 40.944 40.800 0.390 0.000 0.953 488 D HN 0.707 nan 8.370 nan 0.000 0.478 489 E N 0.945 121.200 120.200 0.090 0.000 2.472 489 E HA -0.103 4.248 4.350 0.001 0.000 0.200 489 E C 1.317 177.967 176.600 0.084 0.000 1.046 489 E CA 0.686 57.131 56.400 0.074 0.000 0.871 489 E CB -0.053 29.777 29.700 0.217 0.000 0.806 489 E HN 0.301 nan 8.360 nan 0.000 0.533 490 V N -3.926 115.956 119.914 -0.052 0.000 3.166 490 V HA 0.532 4.652 4.120 0.001 0.000 0.332 490 V C 0.960 176.992 176.094 -0.103 0.000 1.434 490 V CA -0.085 62.110 62.300 -0.175 0.000 1.121 490 V CB -0.006 31.463 31.823 -0.589 0.000 1.062 490 V HN 0.165 nan 8.190 nan 0.000 0.489 491 G N 1.126 109.924 108.800 -0.004 0.000 2.272 491 G HA2 -0.240 3.720 3.960 0.001 0.000 0.280 491 G HA3 -0.240 3.720 3.960 0.001 0.000 0.280 491 G C 0.102 175.034 174.900 0.053 0.000 1.067 491 G CA 0.463 45.590 45.100 0.045 0.000 0.902 491 G HN 0.698 nan 8.290 nan 0.000 0.500 492 T N 0.780 115.378 114.554 0.073 0.000 2.902 492 T HA 0.417 4.768 4.350 0.001 0.000 0.301 492 T C 1.339 176.124 174.700 0.142 0.000 1.012 492 T CA 0.164 62.323 62.100 0.098 0.000 1.151 492 T CB 1.023 69.979 68.868 0.147 0.000 0.946 492 T HN 0.394 nan 8.240 nan 0.000 0.542 493 L N 2.634 123.930 121.223 0.122 0.000 2.472 493 L HA 0.406 4.746 4.340 0.001 0.000 0.256 493 L C 0.995 177.960 176.870 0.158 0.000 1.111 493 L CA -1.353 53.568 54.840 0.134 0.000 0.800 493 L CB 0.338 42.463 42.059 0.109 0.000 1.286 493 L HN 0.508 nan 8.230 nan 0.000 0.479 494 N N 0.598 119.393 118.700 0.159 0.000 2.381 494 N HA -0.037 4.704 4.740 0.001 0.000 0.241 494 N C -0.529 175.100 175.510 0.198 0.000 1.279 494 N CA 0.009 53.165 53.050 0.177 0.000 0.896 494 N CB 0.156 38.754 38.487 0.186 0.000 1.118 494 N HN 0.482 nan 8.380 nan 0.000 0.438 495 D N 0.105 120.645 120.400 0.234 0.000 2.308 495 D HA 0.036 4.677 4.640 0.001 0.000 0.251 495 D C -0.708 175.815 176.300 0.372 0.000 1.127 495 D CA -0.055 54.108 54.000 0.272 0.000 0.876 495 D CB 0.674 41.648 40.800 0.291 0.000 1.176 495 D HN 0.330 nan 8.370 nan 0.000 0.446 496 D N 2.273 122.810 120.400 0.229 0.000 2.559 496 D HA 0.122 4.763 4.640 0.001 0.000 0.234 496 D C -0.162 176.157 176.300 0.033 0.000 1.226 496 D CA -0.189 53.900 54.000 0.149 0.000 0.830 496 D CB 0.531 41.386 40.800 0.092 0.000 1.028 496 D HN 0.268 nan 8.370 nan 0.000 0.492 497 D N -0.956 119.486 120.400 0.070 0.000 2.469 497 D HA -0.033 4.608 4.640 0.001 0.000 0.240 497 D C 2.073 178.334 176.300 -0.065 0.000 1.087 497 D CA -0.073 53.916 54.000 -0.018 0.000 0.876 497 D CB -0.245 40.566 40.800 0.018 0.000 1.160 497 D HN 0.393 nan 8.370 nan 0.000 0.497 498 W N 2.837 124.135 121.300 -0.003 0.000 2.305 498 W HA -0.244 4.416 4.660 0.001 0.000 0.308 498 W C 1.629 178.145 176.519 -0.005 0.000 1.226 498 W CA 1.765 59.101 57.345 -0.014 0.000 1.253 498 W CB -1.386 28.125 29.460 0.085 0.000 1.146 498 W HN 0.003 nan 8.180 nan 0.000 0.507 499 S N 0.909 115.757 115.700 -1.420 0.000 2.400 499 S HA -0.262 4.209 4.470 0.001 0.000 0.232 499 S C 1.709 175.997 174.600 -0.520 0.000 1.025 499 S CA 1.656 59.065 58.200 -1.318 0.000 0.993 499 S CB -0.859 61.588 63.200 -1.255 0.000 0.808 499 S HN 0.586 nan 8.310 nan 0.000 0.478 500 Q N 0.590 120.180 119.800 -0.349 0.000 2.319 500 Q HA 0.212 4.552 4.340 0.001 0.000 0.202 500 Q C -0.382 175.538 176.000 -0.133 0.000 0.896 500 Q CA -0.076 55.609 55.803 -0.197 0.000 0.942 500 Q CB 0.168 28.811 28.738 -0.157 0.000 1.083 500 Q HN 0.501 nan 8.270 nan 0.000 0.510 501 D N 0.864 121.187 120.400 -0.127 0.000 2.339 501 D HA 0.006 4.647 4.640 0.001 0.000 0.241 501 D C 1.011 177.265 176.300 -0.075 0.000 1.183 501 D CA 0.023 53.962 54.000 -0.101 0.000 0.859 501 D CB 1.260 41.989 40.800 -0.119 0.000 1.067 501 D HN 0.097 nan 8.370 nan 0.000 0.484 502 S N 3.027 118.689 115.700 -0.064 0.000 2.440 502 S HA -0.200 4.270 4.470 0.001 0.000 0.238 502 S C 1.252 175.839 174.600 -0.022 0.000 1.010 502 S CA 0.937 59.116 58.200 -0.034 0.000 0.972 502 S CB -0.308 62.873 63.200 -0.032 0.000 0.774 502 S HN 0.592 nan 8.310 nan 0.000 0.501 503 N N 0.693 119.354 118.700 -0.065 0.000 2.412 503 N HA 0.163 4.904 4.740 0.001 0.000 0.184 503 N C 1.322 176.786 175.510 -0.077 0.000 1.101 503 N CA 0.414 53.421 53.050 -0.071 0.000 0.881 503 N CB 0.143 38.551 38.487 -0.131 0.000 0.969 503 N HN 0.480 nan 8.380 nan 0.000 0.459 504 K N -0.760 119.594 120.400 -0.077 0.000 2.502 504 K HA 0.103 4.423 4.320 0.001 0.000 0.211 504 K C 1.583 178.374 176.600 0.318 0.000 1.259 504 K CA 0.125 56.404 56.287 -0.015 0.000 0.983 504 K CB 0.632 32.922 32.500 -0.350 0.000 1.054 504 K HN 0.025 nan 8.250 nan 0.000 0.572 505 S N 2.168 117.986 115.700 0.197 0.000 2.440 505 S HA -0.185 4.286 4.470 0.001 0.000 0.240 505 S C 1.335 176.127 174.600 0.321 0.000 1.014 505 S CA 1.816 60.137 58.200 0.203 0.000 0.980 505 S CB -0.414 62.807 63.200 0.036 0.000 0.775 505 S HN 0.357 nan 8.310 nan 0.000 0.499 506 D N 0.024 120.595 120.400 0.286 0.000 2.388 506 D HA 0.192 4.833 4.640 0.001 0.000 0.221 506 D C -0.343 176.132 176.300 0.293 0.000 1.133 506 D CA -0.255 53.899 54.000 0.256 0.000 0.831 506 D CB -0.147 40.757 40.800 0.173 0.000 0.962 506 D HN 0.322 nan 8.370 nan 0.000 0.502 507 D N 0.618 121.260 120.400 0.402 0.000 2.330 507 D HA 0.022 4.663 4.640 0.001 0.000 0.249 507 D C 0.909 177.302 176.300 0.155 0.000 1.306 507 D CA -0.270 53.942 54.000 0.353 0.000 0.956 507 D CB 1.263 42.267 40.800 0.340 0.000 1.261 507 D HN -0.063 nan 8.370 nan 0.000 0.544 508 S N 2.718 118.446 115.700 0.047 0.000 2.537 508 S HA -0.124 4.347 4.470 0.001 0.000 0.240 508 S C 1.636 175.698 174.600 -0.897 0.000 0.981 508 S CA 0.376 58.191 58.200 -0.642 0.000 0.948 508 S CB -0.097 63.014 63.200 -0.148 0.000 0.759 508 S HN 0.430 nan 8.310 nan 0.000 0.531 509 R N -0.312 119.676 120.500 -0.854 0.000 2.193 509 R HA -0.025 4.316 4.340 0.001 0.000 0.229 509 R C 1.477 176.997 176.300 -1.300 0.000 1.110 509 R CA 1.586 56.977 56.100 -1.182 0.000 0.988 509 R CB -0.348 29.314 30.300 -1.062 0.000 0.871 509 R HN 0.600 nan 8.270 nan 0.000 0.458 510 W N 0.489 121.308 121.300 -0.802 0.000 2.468 510 W HA -0.069 4.591 4.660 0.001 0.000 0.262 510 W C 2.313 178.395 176.519 -0.729 0.000 1.241 510 W CA 0.665 57.664 57.345 -0.577 0.000 1.232 510 W CB -0.096 29.230 29.460 -0.223 0.000 1.124 510 W HN 0.161 nan 8.180 nan 0.000 0.597 511 A N 0.288 122.448 122.820 -1.100 0.000 1.978 511 A HA -0.224 4.096 4.320 0.001 0.000 0.220 511 A C 1.538 178.978 177.584 -0.241 0.000 1.170 511 A CA 1.790 53.354 52.037 -0.788 0.000 0.636 511 A CB -1.200 17.380 19.000 -0.701 0.000 0.810 511 A HN 0.613 nan 8.150 nan 0.000 0.448 512 H N -2.316 116.636 119.070 -0.197 0.000 2.488 512 H HA 0.448 5.005 4.556 0.001 0.000 0.294 512 H C -0.192 175.199 175.328 0.105 0.000 1.088 512 H CA -0.326 55.692 56.048 -0.049 0.000 1.086 512 H CB -0.121 29.546 29.762 -0.158 0.000 1.569 512 H HN 0.386 nan 8.280 nan 0.000 0.548 513 R N 2.178 122.736 120.500 0.096 0.000 3.026 513 R HA 0.249 4.590 4.340 0.001 0.000 0.317 513 R C -2.666 173.775 176.300 0.234 0.000 1.278 513 R CA -1.465 54.765 56.100 0.217 0.000 1.407 513 R CB 0.964 31.247 30.300 -0.029 0.000 1.368 513 R HN 0.354 nan 8.270 nan 0.000 0.612 514 P HA 0.105 nan 4.420 nan 0.000 0.274 514 P C -0.388 177.047 177.300 0.224 0.000 1.256 514 P CA -0.319 62.917 63.100 0.226 0.000 0.795 514 P CB 1.091 32.923 31.700 0.220 0.000 1.038 515 R N -0.421 120.188 120.500 0.182 0.000 2.583 515 R HA 0.209 4.550 4.340 0.001 0.000 0.268 515 R C 0.073 176.491 176.300 0.197 0.000 1.101 515 R CA -0.644 55.563 56.100 0.178 0.000 1.180 515 R CB 0.008 30.381 30.300 0.123 0.000 1.128 515 R HN 0.471 nan 8.270 nan 0.000 0.568 516 Y N 1.257 121.559 120.300 0.003 0.000 2.729 516 Y HA -0.156 4.395 4.550 0.001 0.000 0.331 516 Y C 0.128 176.024 175.900 -0.007 0.000 1.208 516 Y CA 0.644 58.674 58.100 -0.117 0.000 1.521 516 Y CB 0.075 38.247 38.460 -0.480 0.000 1.233 516 Y HN 0.499 nan 8.280 nan 0.000 0.539 517 N N 5.541 124.164 118.700 -0.127 0.000 2.521 517 N HA 0.016 4.757 4.740 0.001 0.000 0.236 517 N C 0.637 176.081 175.510 -0.110 0.000 1.067 517 N CA -0.431 52.586 53.050 -0.055 0.000 0.939 517 N CB 0.475 38.940 38.487 -0.037 0.000 1.201 517 N HN 0.707 nan 8.380 nan 0.000 0.511 518 E N 2.246 122.464 120.200 0.029 0.000 2.097 518 E HA -0.249 4.101 4.350 0.001 0.000 0.196 518 E C 1.725 178.337 176.600 0.021 0.000 1.000 518 E CA 1.243 57.696 56.400 0.089 0.000 0.804 518 E CB -0.352 29.409 29.700 0.102 0.000 0.740 518 E HN 0.767 nan 8.360 nan 0.000 0.454 519 A N 1.073 123.890 122.820 -0.004 0.000 1.902 519 A HA -0.146 4.175 4.320 0.001 0.000 0.217 519 A C 2.412 179.962 177.584 -0.057 0.000 1.181 519 A CA 1.219 53.243 52.037 -0.021 0.000 0.623 519 A CB -0.654 18.337 19.000 -0.015 0.000 0.818 519 A HN 0.184 nan 8.150 nan 0.000 0.443 520 L N -2.571 118.590 121.223 -0.103 0.000 2.072 520 L HA -0.139 4.202 4.340 0.001 0.000 0.205 520 L C 2.520 179.221 176.870 -0.281 0.000 1.079 520 L CA 1.161 55.889 54.840 -0.186 0.000 0.752 520 L CB -0.612 41.304 42.059 -0.238 0.000 0.906 520 L HN 0.424 nan 8.230 nan 0.000 0.436 521 Y N 0.140 120.272 120.300 -0.280 0.000 2.333 521 Y HA -0.166 4.385 4.550 0.001 0.000 0.290 521 Y C 2.544 178.316 175.900 -0.214 0.000 1.144 521 Y CA 1.073 58.978 58.100 -0.324 0.000 1.228 521 Y CB -0.372 37.777 38.460 -0.518 0.000 0.985 521 Y HN 0.125 nan 8.280 nan 0.000 0.542 522 A N -0.695 122.112 122.820 -0.022 0.000 2.206 522 A HA -0.096 4.225 4.320 0.001 0.000 0.211 522 A C 1.716 179.271 177.584 -0.048 0.000 1.158 522 A CA 0.849 52.871 52.037 -0.024 0.000 0.761 522 A CB -0.295 18.699 19.000 -0.009 0.000 0.801 522 A HN 0.520 nan 8.150 nan 0.000 0.473 523 Q N -0.807 118.947 119.800 -0.077 0.000 2.247 523 Q HA 0.041 4.381 4.340 0.001 0.000 0.211 523 Q C 1.602 177.556 176.000 -0.077 0.000 0.861 523 Q CA 0.116 55.879 55.803 -0.066 0.000 0.949 523 Q CB 0.252 28.953 28.738 -0.062 0.000 1.115 523 Q HN 0.845 nan 8.270 nan 0.000 0.507 524 R N 0.087 120.505 120.500 -0.136 0.000 2.285 524 R HA -0.013 4.328 4.340 0.001 0.000 0.213 524 R C 0.780 177.056 176.300 -0.040 0.000 1.068 524 R CA 1.085 57.084 56.100 -0.167 0.000 1.004 524 R CB -0.007 29.986 30.300 -0.511 0.000 0.873 524 R HN 0.071 nan 8.270 nan 0.000 0.467 525 N N 0.494 119.181 118.700 -0.021 0.000 2.205 525 N HA -0.018 4.723 4.740 0.001 0.000 0.201 525 N C -0.839 174.693 175.510 0.036 0.000 1.128 525 N CA 0.089 53.163 53.050 0.041 0.000 0.867 525 N CB 0.524 39.030 38.487 0.031 0.000 0.996 525 N HN 0.207 nan 8.380 nan 0.000 0.503 526 D N 2.046 122.457 120.400 0.018 0.000 2.428 526 D HA 0.155 4.795 4.640 0.001 0.000 0.221 526 D C -1.502 174.808 176.300 0.017 0.000 1.123 526 D CA -2.149 51.858 54.000 0.012 0.000 0.869 526 D CB 1.615 42.414 40.800 -0.001 0.000 1.032 526 D HN 0.032 nan 8.370 nan 0.000 0.506 527 P HA -0.075 nan 4.420 nan 0.000 0.228 527 P C 0.644 177.947 177.300 0.005 0.000 1.151 527 P CA 0.445 63.554 63.100 0.015 0.000 0.770 527 P CB 0.454 32.161 31.700 0.011 0.000 0.786 528 S N -0.904 114.798 115.700 0.003 0.000 2.575 528 S HA 0.051 4.522 4.470 0.001 0.000 0.215 528 S C 1.089 175.686 174.600 -0.004 0.000 0.966 528 S CA 0.232 58.431 58.200 -0.002 0.000 0.911 528 S CB -0.273 62.925 63.200 -0.002 0.000 0.780 528 S HN 0.421 nan 8.310 nan 0.000 0.514 529 T N -1.580 112.972 114.554 -0.003 0.000 2.940 529 T HA 0.765 5.115 4.350 0.001 0.000 0.288 529 T C 1.202 175.899 174.700 -0.005 0.000 1.033 529 T CA -0.324 61.771 62.100 -0.007 0.000 1.033 529 T CB 1.706 70.566 68.868 -0.014 0.000 1.079 529 T HN -0.068 nan 8.240 nan 0.000 0.496 530 A N 1.316 124.131 122.820 -0.008 0.000 1.933 530 A HA 0.230 4.551 4.320 0.001 0.000 0.218 530 A C 2.570 180.152 177.584 -0.003 0.000 1.175 530 A CA 1.754 53.789 52.037 -0.004 0.000 0.628 530 A CB -1.486 17.512 19.000 -0.002 0.000 0.814 530 A HN 1.275 nan 8.150 nan 0.000 0.444 531 A N -0.461 122.347 122.820 -0.021 0.000 1.883 531 A HA 0.086 4.406 4.320 0.001 0.000 0.217 531 A C 2.401 179.992 177.584 0.012 0.000 1.186 531 A CA 2.003 54.016 52.037 -0.040 0.000 0.624 531 A CB -1.352 17.587 19.000 -0.102 0.000 0.822 531 A HN 0.735 nan 8.150 nan 0.000 0.444 532 G N -1.276 107.535 108.800 0.018 0.000 2.421 532 G HA2 -0.138 3.822 3.960 0.001 0.000 0.217 532 G HA3 -0.138 3.822 3.960 0.001 0.000 0.217 532 G C 1.598 176.548 174.900 0.083 0.000 1.143 532 G CA 0.917 46.057 45.100 0.067 0.000 0.784 532 G HN 0.622 nan 8.290 nan 0.000 0.541 533 Q N -0.275 119.549 119.800 0.040 0.000 2.079 533 Q HA 0.043 4.383 4.340 0.001 0.000 0.200 533 Q C 2.554 178.567 176.000 0.022 0.000 0.974 533 Q CA 0.990 56.806 55.803 0.021 0.000 0.840 533 Q CB -0.156 28.584 28.738 0.003 0.000 0.898 533 Q HN 0.519 nan 8.270 nan 0.000 0.430 534 I N -0.617 119.972 120.570 0.032 0.000 2.202 534 I HA -0.276 3.894 4.170 0.001 0.000 0.242 534 I C 2.164 178.298 176.117 0.028 0.000 1.091 534 I CA 1.090 62.404 61.300 0.022 0.000 1.368 534 I CB -0.300 37.716 38.000 0.028 0.000 1.058 534 I HN 0.220 nan 8.210 nan 0.000 0.410 535 Y N 1.916 122.201 120.300 -0.024 0.000 2.097 535 Y HA -0.304 4.247 4.550 0.001 0.000 0.282 535 Y C 2.740 178.653 175.900 0.022 0.000 1.152 535 Y CA 1.696 59.798 58.100 0.004 0.000 1.136 535 Y CB -0.245 38.228 38.460 0.022 0.000 0.975 535 Y HN 0.139 nan 8.280 nan 0.000 0.498 536 Q N 0.161 119.976 119.800 0.025 0.000 2.170 536 Q HA -0.176 4.164 4.340 0.001 0.000 0.203 536 Q C 1.795 177.749 176.000 -0.077 0.000 0.976 536 Q CA 1.632 57.410 55.803 -0.041 0.000 0.858 536 Q CB -0.469 28.299 28.738 0.050 0.000 0.907 536 Q HN 0.572 nan 8.270 nan 0.000 0.433 537 D N 0.159 120.522 120.400 -0.062 0.000 2.084 537 D HA -0.100 4.541 4.640 0.001 0.000 0.196 537 D C 1.994 178.255 176.300 -0.066 0.000 0.985 537 D CA 0.714 54.685 54.000 -0.050 0.000 0.826 537 D CB -0.030 40.741 40.800 -0.048 0.000 0.978 537 D HN 0.099 nan 8.370 nan 0.000 0.456 538 L N 0.332 121.477 121.223 -0.130 0.000 2.056 538 L HA -0.065 4.275 4.340 0.001 0.000 0.207 538 L C 2.316 179.075 176.870 -0.186 0.000 1.078 538 L CA 1.063 55.808 54.840 -0.159 0.000 0.749 538 L CB -0.501 41.420 42.059 -0.230 0.000 0.901 538 L HN -0.106 nan 8.230 nan 0.000 0.433 539 R N -1.175 119.140 120.500 -0.309 0.000 2.096 539 R HA -0.193 4.147 4.340 0.001 0.000 0.235 539 R C 2.478 178.712 176.300 -0.110 0.000 1.127 539 R CA 1.533 57.456 56.100 -0.294 0.000 0.968 539 R CB -0.660 29.345 30.300 -0.492 0.000 0.861 539 R HN 0.537 nan 8.270 nan 0.000 0.440 540 H N -0.435 118.546 119.070 -0.148 0.000 2.321 540 H HA -0.095 4.462 4.556 0.001 0.000 0.300 540 H C 1.765 177.057 175.328 -0.060 0.000 1.087 540 H CA 2.105 58.102 56.048 -0.086 0.000 1.319 540 H CB 0.034 29.744 29.762 -0.087 0.000 1.379 540 H HN 0.228 nan 8.280 nan 0.000 0.501 541 M N 0.175 119.664 119.600 -0.185 0.000 2.159 541 M HA -0.153 4.328 4.480 0.001 0.000 0.263 541 M C 2.574 178.837 176.300 -0.062 0.000 1.063 541 M CA 1.274 56.481 55.300 -0.156 0.000 1.110 541 M CB -0.143 32.407 32.600 -0.083 0.000 1.374 541 M HN 0.269 nan 8.290 nan 0.000 0.411 542 I N 0.157 120.681 120.570 -0.078 0.000 2.179 542 I HA -0.265 3.906 4.170 0.001 0.000 0.242 542 I C 2.742 178.796 176.117 -0.104 0.000 1.088 542 I CA 1.250 62.505 61.300 -0.075 0.000 1.357 542 I CB -0.595 37.363 38.000 -0.070 0.000 1.051 542 I HN 0.252 nan 8.210 nan 0.000 0.409 543 A N 0.484 123.239 122.820 -0.109 0.000 1.883 543 A HA -0.169 4.151 4.320 0.001 0.000 0.217 543 A C 2.435 179.949 177.584 -0.117 0.000 1.186 543 A CA 1.961 53.945 52.037 -0.088 0.000 0.624 543 A CB -1.014 17.953 19.000 -0.054 0.000 0.822 543 A HN 0.244 nan 8.150 nan 0.000 0.444 544 V N 0.311 120.113 119.914 -0.186 0.000 2.295 544 V HA -0.273 3.848 4.120 0.001 0.000 0.246 544 V C 2.678 178.581 176.094 -0.318 0.000 1.049 544 V CA 2.306 64.510 62.300 -0.160 0.000 1.024 544 V CB -0.873 30.899 31.823 -0.085 0.000 0.648 544 V HN 0.716 nan 8.190 nan 0.000 0.447 545 R N 0.147 120.346 120.500 -0.501 0.000 2.083 545 R HA -0.243 4.097 4.340 0.001 0.000 0.237 545 R C 2.263 178.375 176.300 -0.314 0.000 1.137 545 R CA 2.209 57.848 56.100 -0.768 0.000 0.951 545 R CB -0.260 29.732 30.300 -0.512 0.000 0.851 545 R HN 0.609 nan 8.270 nan 0.000 0.434 546 Q N -0.278 119.423 119.800 -0.166 0.000 2.311 546 Q HA -0.050 4.291 4.340 0.001 0.000 0.203 546 Q C 1.908 177.893 176.000 -0.025 0.000 0.954 546 Q CA 1.531 57.295 55.803 -0.066 0.000 0.885 546 Q CB 0.345 29.059 28.738 -0.040 0.000 0.963 546 Q HN 0.480 nan 8.270 nan 0.000 0.471 547 S N -0.557 115.126 115.700 -0.028 0.000 2.502 547 S HA 0.056 4.527 4.470 0.001 0.000 0.215 547 S C 0.648 175.276 174.600 0.047 0.000 1.009 547 S CA -0.412 57.795 58.200 0.012 0.000 0.908 547 S CB 0.223 63.430 63.200 0.012 0.000 0.801 547 S HN 0.094 nan 8.310 nan 0.000 0.505 548 N N 3.042 121.791 118.700 0.082 0.000 2.457 548 N HA 0.329 5.070 4.740 0.001 0.000 0.250 548 N C -2.038 173.598 175.510 0.211 0.000 0.982 548 N CA -1.961 51.199 53.050 0.182 0.000 0.941 548 N CB 1.942 40.638 38.487 0.349 0.000 1.120 548 N HN 0.074 nan 8.380 nan 0.000 0.505 549 P HA -0.096 nan 4.420 nan 0.000 0.225 549 P C 0.590 177.911 177.300 0.037 0.000 1.148 549 P CA 0.827 63.970 63.100 0.071 0.000 0.779 549 P CB 0.425 32.146 31.700 0.035 0.000 0.780 550 R N -1.399 119.098 120.500 -0.006 0.000 2.285 550 R HA 0.013 4.354 4.340 0.001 0.000 0.213 550 R C 1.500 177.598 176.300 -0.337 0.000 1.068 550 R CA 0.859 56.840 56.100 -0.198 0.000 1.004 550 R CB -0.570 29.534 30.300 -0.325 0.000 0.873 550 R HN 0.267 nan 8.270 nan 0.000 0.467 551 F N 0.170 120.053 119.950 -0.111 0.000 2.749 551 F HA 0.115 4.642 4.527 0.001 0.000 0.300 551 F C 0.803 176.555 175.800 -0.080 0.000 1.103 551 F CA -0.604 57.316 58.000 -0.134 0.000 1.342 551 F CB 0.009 38.902 39.000 -0.178 0.000 1.098 551 F HN -0.147 nan 8.300 nan 0.000 0.586 552 D N 0.564 121.017 120.400 0.090 0.000 2.423 552 D HA 0.377 5.018 4.640 0.001 0.000 0.238 552 D C 0.711 177.026 176.300 0.025 0.000 1.142 552 D CA 1.695 55.726 54.000 0.052 0.000 0.884 552 D CB 0.692 41.513 40.800 0.036 0.000 1.199 552 D HN 0.396 nan 8.370 nan 0.000 0.438 553 G N 1.536 110.348 108.800 0.021 0.000 2.728 553 G HA2 0.085 4.045 3.960 0.001 0.000 0.294 553 G HA3 0.085 4.045 3.960 0.001 0.000 0.294 553 G C 0.516 175.431 174.900 0.026 0.000 1.342 553 G CA -0.028 45.077 45.100 0.009 0.000 0.866 553 G HN 0.851 nan 8.290 nan 0.000 0.534 554 G N -0.647 108.167 108.800 0.023 0.000 3.274 554 G HA2 0.426 4.386 3.960 0.001 0.000 0.250 554 G HA3 0.426 4.386 3.960 0.001 0.000 0.250 554 G C 0.647 175.634 174.900 0.144 0.000 1.024 554 G CA 0.101 45.246 45.100 0.075 0.000 0.840 554 G HN 0.537 nan 8.290 nan 0.000 0.522 555 R N 0.363 120.913 120.500 0.084 0.000 2.500 555 R HA 0.659 4.999 4.340 0.001 0.000 0.275 555 R C -0.444 175.905 176.300 0.082 0.000 1.051 555 R CA -0.355 55.805 56.100 0.101 0.000 1.088 555 R CB 1.476 31.794 30.300 0.029 0.000 1.063 555 R HN 0.310 nan 8.270 nan 0.000 0.511 556 L N -2.176 119.091 121.223 0.074 0.000 2.540 556 L HA 0.662 5.002 4.340 0.001 0.000 0.256 556 L C -1.179 175.674 176.870 -0.029 0.000 1.001 556 L CA -0.997 53.824 54.840 -0.031 0.000 0.843 556 L CB 1.786 43.719 42.059 -0.211 0.000 1.436 556 L HN 0.191 nan 8.230 nan 0.000 0.410 557 V N 0.537 120.440 119.914 -0.017 0.000 2.531 557 V HA 0.679 4.799 4.120 0.001 0.000 0.301 557 V C 0.300 176.414 176.094 0.032 0.000 1.034 557 V CA 0.099 62.393 62.300 -0.010 0.000 0.865 557 V CB 1.933 33.762 31.823 0.010 0.000 0.995 557 V HN 1.086 nan 8.190 nan 0.000 0.424 558 T N 1.564 116.111 114.554 -0.012 0.000 2.868 558 T HA 0.588 4.938 4.350 0.001 0.000 0.292 558 T C -0.711 174.114 174.700 0.209 0.000 1.028 558 T CA -0.182 61.964 62.100 0.076 0.000 1.059 558 T CB 1.040 69.820 68.868 -0.147 0.000 0.991 558 T HN 0.439 nan 8.240 nan 0.000 0.531 559 F N 1.654 121.689 119.950 0.142 0.000 2.507 559 F HA 0.440 4.968 4.527 0.001 0.000 0.325 559 F C -0.453 175.464 175.800 0.194 0.000 1.116 559 F CA -1.281 56.799 58.000 0.133 0.000 0.930 559 F CB 1.467 40.516 39.000 0.081 0.000 1.146 559 F HN 0.505 nan 8.300 nan 0.000 0.447 560 N N 3.945 122.353 118.700 -0.487 0.000 2.402 560 N HA 0.054 4.794 4.740 0.001 0.000 0.252 560 N C 1.035 176.280 175.510 -0.441 0.000 1.118 560 N CA 0.491 53.324 53.050 -0.363 0.000 0.945 560 N CB 1.401 39.704 38.487 -0.307 0.000 1.147 560 N HN 0.807 nan 8.380 nan 0.000 0.495 561 T N -1.292 113.229 114.554 -0.055 0.000 3.067 561 T HA -0.042 4.308 4.350 0.001 0.000 0.261 561 T C 0.638 175.329 174.700 -0.015 0.000 1.110 561 T CA 0.148 62.314 62.100 0.110 0.000 1.113 561 T CB 0.058 69.029 68.868 0.171 0.000 0.917 561 T HN 0.484 nan 8.240 nan 0.000 0.499 562 N N 1.326 119.976 118.700 -0.084 0.000 2.800 562 N HA -0.175 4.566 4.740 0.001 0.000 0.250 562 N C -0.491 174.978 175.510 -0.068 0.000 1.078 562 N CA 1.080 54.081 53.050 -0.082 0.000 0.804 562 N CB -1.968 36.485 38.487 -0.057 0.000 1.135 562 N HN 0.815 nan 8.380 nan 0.000 0.565 563 N N 0.453 119.115 118.700 -0.062 0.000 2.504 563 N HA 0.152 4.893 4.740 0.001 0.000 0.280 563 N C 1.056 176.513 175.510 -0.087 0.000 1.052 563 N CA -0.654 52.364 53.050 -0.052 0.000 0.887 563 N CB 0.798 39.278 38.487 -0.012 0.000 1.323 563 N HN 0.123 nan 8.380 nan 0.000 0.509 564 K N 1.930 122.215 120.400 -0.192 0.000 2.442 564 K HA -0.157 4.164 4.320 0.001 0.000 0.199 564 K C 0.030 176.456 176.600 -0.290 0.000 1.044 564 K CA 1.420 57.538 56.287 -0.281 0.000 0.941 564 K CB -0.138 32.138 32.500 -0.374 0.000 0.759 564 K HN 0.684 nan 8.250 nan 0.000 0.472 565 H N -0.052 119.027 119.070 0.016 0.000 2.622 565 H HA 0.345 4.902 4.556 0.001 0.000 0.269 565 H C -0.119 175.284 175.328 0.125 0.000 0.977 565 H CA -0.326 55.758 56.048 0.061 0.000 1.179 565 H CB 0.537 30.328 29.762 0.048 0.000 1.458 565 H HN 0.053 nan 8.280 nan 0.000 0.531 566 I N 1.452 122.133 120.570 0.184 0.000 2.389 566 I HA 0.180 4.350 4.170 0.001 0.000 0.288 566 I C -0.802 175.460 176.117 0.242 0.000 0.999 566 I CA -1.051 60.376 61.300 0.213 0.000 1.129 566 I CB 1.952 40.009 38.000 0.094 0.000 1.288 566 I HN 0.013 nan 8.210 nan 0.000 0.444 567 I N 5.146 125.925 120.570 0.349 0.000 2.532 567 I HA 0.704 4.874 4.170 0.001 0.000 0.292 567 I C 0.317 176.694 176.117 0.433 0.000 1.014 567 I CA 0.309 61.826 61.300 0.361 0.000 1.340 567 I CB 1.410 39.642 38.000 0.386 0.000 1.422 567 I HN 0.622 nan 8.210 nan 0.000 0.528 568 G N 6.288 115.354 108.800 0.443 0.000 2.731 568 G HA2 0.625 4.585 3.960 0.001 0.000 0.298 568 G HA3 0.625 4.585 3.960 0.001 0.000 0.298 568 G C -1.994 173.079 174.900 0.287 0.000 1.424 568 G CA -0.470 44.836 45.100 0.343 0.000 1.029 568 G HN 0.704 nan 8.290 nan 0.000 0.518 569 Y N -0.512 119.804 120.300 0.027 0.000 2.624 569 Y HA 0.788 5.338 4.550 0.001 0.000 0.334 569 Y C -1.184 174.626 175.900 -0.150 0.000 1.155 569 Y CA -1.835 56.246 58.100 -0.031 0.000 1.046 569 Y CB 1.294 39.707 38.460 -0.079 0.000 1.316 569 Y HN 0.495 nan 8.280 nan 0.000 0.457 570 I N 3.082 123.682 120.570 0.049 0.000 2.509 570 I HA 0.541 4.711 4.170 0.001 0.000 0.293 570 I C -0.794 175.292 176.117 -0.052 0.000 1.020 570 I CA -1.186 60.061 61.300 -0.089 0.000 1.088 570 I CB 1.773 39.719 38.000 -0.091 0.000 1.267 570 I HN 0.507 nan 8.210 nan 0.000 0.430 571 R N 4.979 125.391 120.500 -0.147 0.000 2.387 571 R HA 0.365 4.705 4.340 0.001 0.000 0.314 571 R C 0.049 176.247 176.300 -0.169 0.000 0.958 571 R CA -0.729 55.276 56.100 -0.158 0.000 0.846 571 R CB 0.902 31.039 30.300 -0.271 0.000 1.147 571 R HN 0.652 nan 8.270 nan 0.000 0.447 572 N N 1.779 120.414 118.700 -0.109 0.000 2.678 572 N HA -0.286 4.454 4.740 0.001 0.000 0.249 572 N C -0.222 175.236 175.510 -0.088 0.000 1.119 572 N CA 1.120 54.116 53.050 -0.090 0.000 0.718 572 N CB -0.671 37.755 38.487 -0.101 0.000 1.060 572 N HN 0.800 nan 8.380 nan 0.000 0.552 573 N N -1.850 116.799 118.700 -0.085 0.000 2.708 573 N HA -0.278 4.462 4.740 0.001 0.000 0.249 573 N C 0.428 175.882 175.510 -0.093 0.000 1.097 573 N CA 1.339 54.345 53.050 -0.073 0.000 0.710 573 N CB -0.956 37.505 38.487 -0.044 0.000 1.032 573 N HN 0.676 nan 8.380 nan 0.000 0.551 574 A N -1.791 120.947 122.820 -0.135 0.000 2.480 574 A HA 0.335 4.656 4.320 0.001 0.000 0.191 574 A C -0.296 177.169 177.584 -0.199 0.000 1.503 574 A CA -0.101 51.851 52.037 -0.141 0.000 1.110 574 A CB 0.652 19.578 19.000 -0.124 0.000 1.401 574 A HN 0.217 nan 8.150 nan 0.000 0.533 575 L N 1.547 122.603 121.223 -0.278 0.000 2.372 575 L HA 0.625 4.965 4.340 0.001 0.000 0.274 575 L C -1.847 174.794 176.870 -0.381 0.000 0.988 575 L CA -0.641 53.979 54.840 -0.367 0.000 0.833 575 L CB 1.460 43.142 42.059 -0.629 0.000 1.236 575 L HN 0.243 nan 8.230 nan 0.000 0.410 576 L N 5.430 126.420 121.223 -0.390 0.000 2.265 576 L HA 0.745 5.086 4.340 0.001 0.000 0.289 576 L C -0.283 176.205 176.870 -0.637 0.000 1.033 576 L CA -0.070 54.430 54.840 -0.567 0.000 0.814 576 L CB 1.325 42.991 42.059 -0.656 0.000 1.203 576 L HN 0.713 nan 8.230 nan 0.000 0.423 577 A N 4.856 127.220 122.820 -0.760 0.000 2.304 577 A HA 0.786 5.107 4.320 0.001 0.000 0.323 577 A C -1.286 175.912 177.584 -0.642 0.000 1.195 577 A CA -0.325 51.350 52.037 -0.603 0.000 0.826 577 A CB 0.331 18.853 19.000 -0.796 0.000 1.184 577 A HN 0.557 nan 8.150 nan 0.000 0.496 578 F N 0.841 120.736 119.950 -0.092 0.000 2.520 578 F HA 0.679 5.207 4.527 0.001 0.000 0.322 578 F C 0.679 176.507 175.800 0.047 0.000 1.103 578 F CA -0.897 57.089 58.000 -0.023 0.000 0.926 578 F CB 2.728 41.722 39.000 -0.010 0.000 1.154 578 F HN 0.695 nan 8.300 nan 0.000 0.453 579 G N 1.756 110.759 108.800 0.339 0.000 2.723 579 G HA2 0.346 4.307 3.960 0.001 0.000 0.295 579 G HA3 0.346 4.307 3.960 0.001 0.000 0.295 579 G C -1.678 173.370 174.900 0.247 0.000 1.464 579 G CA -0.719 44.526 45.100 0.243 0.000 1.012 579 G HN 0.474 nan 8.290 nan 0.000 0.522 580 N N 1.840 120.584 118.700 0.074 0.000 2.420 580 N HA 0.310 5.051 4.740 0.001 0.000 0.249 580 N C -0.106 175.367 175.510 -0.062 0.000 1.033 580 N CA -0.950 52.129 53.050 0.047 0.000 0.944 580 N CB 0.565 39.016 38.487 -0.059 0.000 1.113 580 N HN 0.258 nan 8.380 nan 0.000 0.502 581 F N 0.845 120.805 119.950 0.018 0.000 2.692 581 F HA 0.244 4.771 4.527 0.001 0.000 0.303 581 F C 1.363 177.075 175.800 -0.147 0.000 1.114 581 F CA -0.136 57.897 58.000 0.055 0.000 1.361 581 F CB 0.046 39.132 39.000 0.144 0.000 1.063 581 F HN 0.320 nan 8.300 nan 0.000 0.550 582 S N 0.634 116.166 115.700 -0.280 0.000 2.565 582 S HA 0.156 4.627 4.470 0.001 0.000 0.290 582 S C 1.106 175.105 174.600 -1.002 0.000 1.150 582 S CA -0.668 57.241 58.200 -0.484 0.000 1.058 582 S CB 0.809 63.741 63.200 -0.446 0.000 1.032 582 S HN 0.423 nan 8.310 nan 0.000 0.510 583 E N 2.668 122.292 120.200 -0.960 0.000 2.494 583 E HA 0.013 4.364 4.350 0.001 0.000 0.193 583 E C -0.898 175.167 176.600 -0.892 0.000 1.074 583 E CA 0.236 55.949 56.400 -1.145 0.000 0.867 583 E CB -0.184 28.998 29.700 -0.863 0.000 0.924 583 E HN 0.632 nan 8.360 nan 0.000 0.502 584 Y N 0.289 120.378 120.300 -0.353 0.000 2.562 584 Y HA 0.459 5.010 4.550 0.001 0.000 0.343 584 Y C -2.302 173.478 175.900 -0.201 0.000 1.025 584 Y CA -3.280 54.697 58.100 -0.204 0.000 1.082 584 Y CB 1.006 39.366 38.460 -0.166 0.000 1.264 584 Y HN -0.181 nan 8.280 nan 0.000 0.478 585 P HA 0.108 nan 4.420 nan 0.000 0.268 585 P C -0.929 176.360 177.300 -0.020 0.000 1.205 585 P CA 0.033 63.128 63.100 -0.009 0.000 0.771 585 P CB 0.553 32.257 31.700 0.006 0.000 0.858 586 Q N 1.036 120.814 119.800 -0.037 0.000 2.359 586 Q HA 0.464 4.804 4.340 0.001 0.000 0.274 586 Q C -0.741 175.234 176.000 -0.040 0.000 1.074 586 Q CA -0.342 55.450 55.803 -0.019 0.000 0.810 586 Q CB 2.263 31.004 28.738 0.004 0.000 1.342 586 Q HN 0.293 nan 8.270 nan 0.000 0.427 587 T N 0.594 115.126 114.554 -0.036 0.000 2.888 587 T HA 0.578 4.928 4.350 0.001 0.000 0.284 587 T C -0.353 174.293 174.700 -0.090 0.000 1.017 587 T CA -0.489 61.572 62.100 -0.066 0.000 1.022 587 T CB 1.484 70.325 68.868 -0.045 0.000 1.013 587 T HN 0.226 nan 8.240 nan 0.000 0.465 588 V N 3.743 123.571 119.914 -0.143 0.000 2.357 588 V HA 0.391 4.511 4.120 0.001 0.000 0.284 588 V C 0.913 176.961 176.094 -0.077 0.000 1.018 588 V CA -0.945 61.261 62.300 -0.156 0.000 0.841 588 V CB 1.308 32.911 31.823 -0.367 0.000 0.991 588 V HN 1.144 nan 8.190 nan 0.000 0.437 589 T N 2.516 117.057 114.554 -0.021 0.000 2.856 589 T HA 0.382 4.732 4.350 0.001 0.000 0.306 589 T C 1.449 176.166 174.700 0.028 0.000 1.062 589 T CA 0.180 62.286 62.100 0.009 0.000 1.083 589 T CB 1.423 70.314 68.868 0.038 0.000 0.984 589 T HN 0.784 nan 8.240 nan 0.000 0.542 590 A N 0.572 123.403 122.820 0.019 0.000 1.933 590 A HA -0.112 4.209 4.320 0.001 0.000 0.218 590 A C 2.166 179.764 177.584 0.024 0.000 1.175 590 A CA 2.144 54.179 52.037 -0.003 0.000 0.628 590 A CB -1.518 17.470 19.000 -0.020 0.000 0.814 590 A HN 1.128 nan 8.150 nan 0.000 0.444 591 H N -0.310 118.753 119.070 -0.012 0.000 2.352 591 H HA -0.101 4.456 4.556 0.001 0.000 0.299 591 H C 2.102 177.443 175.328 0.022 0.000 1.097 591 H CA 2.349 58.397 56.048 -0.000 0.000 1.311 591 H CB -0.149 29.609 29.762 -0.007 0.000 1.377 591 H HN 0.401 nan 8.280 nan 0.000 0.504 592 T N 0.207 114.850 114.554 0.149 0.000 2.867 592 T HA -0.053 4.298 4.350 0.001 0.000 0.268 592 T C 1.631 176.452 174.700 0.200 0.000 1.057 592 T CA 1.202 63.388 62.100 0.144 0.000 1.136 592 T CB -0.054 68.902 68.868 0.147 0.000 0.874 592 T HN 0.269 nan 8.240 nan 0.000 0.466 593 L N 0.875 122.180 121.223 0.138 0.000 2.611 593 L HA 0.183 4.524 4.340 0.001 0.000 0.229 593 L C 2.305 179.194 176.870 0.030 0.000 1.137 593 L CA 0.088 55.005 54.840 0.128 0.000 0.901 593 L CB -0.393 41.702 42.059 0.061 0.000 1.098 593 L HN 0.222 nan 8.230 nan 0.000 0.456 594 Q N 0.651 120.438 119.800 -0.022 0.000 2.197 594 Q HA -0.212 4.129 4.340 0.001 0.000 0.207 594 Q C 2.262 178.262 176.000 -0.001 0.000 0.984 594 Q CA 1.755 57.523 55.803 -0.058 0.000 0.869 594 Q CB -0.152 28.508 28.738 -0.129 0.000 0.906 594 Q HN 0.618 nan 8.270 nan 0.000 0.426 595 A N -0.340 122.505 122.820 0.041 0.000 2.169 595 A HA 0.043 4.363 4.320 0.001 0.000 0.212 595 A C 0.818 178.440 177.584 0.064 0.000 1.153 595 A CA 0.173 52.247 52.037 0.061 0.000 0.756 595 A CB 0.125 19.173 19.000 0.080 0.000 0.813 595 A HN 0.139 nan 8.150 nan 0.000 0.471 596 M N 0.172 119.802 119.600 0.049 0.000 2.247 596 M HA 0.303 4.784 4.480 0.001 0.000 0.326 596 M C -2.400 173.932 176.300 0.053 0.000 1.134 596 M CA -2.631 52.683 55.300 0.023 0.000 1.136 596 M CB -0.689 31.902 32.600 -0.015 0.000 1.454 596 M HN -0.131 nan 8.290 nan 0.000 0.467 597 P HA 0.048 nan 4.420 nan 0.000 0.269 597 P C 0.452 177.851 177.300 0.164 0.000 1.215 597 P CA -0.073 63.104 63.100 0.127 0.000 0.780 597 P CB 0.337 32.084 31.700 0.079 0.000 0.898 598 F N 0.423 120.379 119.950 0.010 0.000 2.161 598 F HA -0.117 4.410 4.527 0.001 0.000 0.300 598 F C 1.378 177.188 175.800 0.017 0.000 1.089 598 F CA 1.785 59.793 58.000 0.014 0.000 1.282 598 F CB -0.028 38.979 39.000 0.012 0.000 1.010 598 F HN 0.123 nan 8.300 nan 0.000 0.485 599 K N -0.561 119.950 120.400 0.185 0.000 2.395 599 K HA 0.777 5.098 4.320 0.001 0.000 0.247 599 K C -1.090 175.561 176.600 0.085 0.000 0.973 599 K CA -0.704 55.650 56.287 0.112 0.000 0.828 599 K CB 2.142 34.712 32.500 0.118 0.000 1.272 599 K HN -0.148 nan 8.250 nan 0.000 0.439 600 A N 1.126 123.989 122.820 0.072 0.000 2.555 600 A HA 0.288 4.609 4.320 0.001 0.000 0.297 600 A C -1.550 176.093 177.584 0.098 0.000 1.060 600 A CA -0.714 51.368 52.037 0.075 0.000 0.710 600 A CB 0.982 20.003 19.000 0.035 0.000 1.282 600 A HN 0.757 nan 8.150 nan 0.000 0.399 601 H N 1.705 120.798 119.070 0.039 0.000 2.646 601 H HA 0.334 4.891 4.556 0.001 0.000 0.325 601 H C -1.151 174.219 175.328 0.071 0.000 1.075 601 H CA 0.522 56.602 56.048 0.053 0.000 1.421 601 H CB 1.216 31.012 29.762 0.057 0.000 1.461 601 H HN 0.717 nan 8.280 nan 0.000 0.525 602 D N 4.824 124.998 120.400 -0.376 0.000 2.347 602 D HA 0.075 4.715 4.640 0.001 0.000 0.235 602 D C 0.981 177.174 176.300 -0.178 0.000 1.149 602 D CA -0.452 53.451 54.000 -0.161 0.000 0.850 602 D CB 0.618 41.347 40.800 -0.118 0.000 1.061 602 D HN 0.578 nan 8.370 nan 0.000 0.487 603 L N 3.790 125.125 121.223 0.188 0.000 2.275 603 L HA -0.091 4.250 4.340 0.001 0.000 0.215 603 L C 1.811 178.841 176.870 0.267 0.000 1.119 603 L CA 0.240 55.288 54.840 0.347 0.000 0.790 603 L CB -0.274 42.093 42.059 0.512 0.000 0.919 603 L HN 0.593 nan 8.230 nan 0.000 0.443 604 I N 0.200 120.825 120.570 0.092 0.000 2.162 604 I HA -0.111 4.060 4.170 0.001 0.000 0.238 604 I C 2.466 178.589 176.117 0.010 0.000 1.076 604 I CA 1.880 63.169 61.300 -0.017 0.000 1.353 604 I CB -1.576 36.273 38.000 -0.251 0.000 1.063 604 I HN 0.211 nan 8.210 nan 0.000 0.408 605 G N -0.828 107.939 108.800 -0.055 0.000 2.777 605 G HA2 0.196 4.157 3.960 0.001 0.000 0.211 605 G HA3 0.196 4.157 3.960 0.001 0.000 0.211 605 G C 1.325 176.179 174.900 -0.077 0.000 1.149 605 G CA 0.612 45.664 45.100 -0.080 0.000 0.785 605 G HN 0.618 nan 8.290 nan 0.000 0.536 606 G N -0.345 108.402 108.800 -0.088 0.000 2.143 606 G HA2 -0.256 3.704 3.960 0.001 0.000 0.248 606 G HA3 -0.256 3.704 3.960 0.001 0.000 0.248 606 G C 0.261 175.076 174.900 -0.142 0.000 0.991 606 G CA 0.630 45.690 45.100 -0.066 0.000 0.689 606 G HN 0.627 nan 8.290 nan 0.000 0.522 607 K N -0.206 120.051 120.400 -0.239 0.000 2.295 607 K HA 0.620 4.940 4.320 0.001 0.000 0.239 607 K C -0.138 176.359 176.600 -0.171 0.000 0.991 607 K CA -0.654 55.551 56.287 -0.136 0.000 0.845 607 K CB 1.373 33.832 32.500 -0.069 0.000 1.197 607 K HN 0.046 nan 8.250 nan 0.000 0.441 608 T N 1.441 115.977 114.554 -0.031 0.000 2.780 608 T HA 0.243 4.594 4.350 0.001 0.000 0.294 608 T C -0.292 174.411 174.700 0.004 0.000 0.949 608 T CA -0.564 61.547 62.100 0.017 0.000 1.074 608 T CB 0.609 69.520 68.868 0.072 0.000 0.910 608 T HN 0.136 nan 8.240 nan 0.000 0.501 609 V N 3.252 123.170 119.914 0.007 0.000 2.513 609 V HA 0.379 4.499 4.120 0.001 0.000 0.299 609 V C 0.315 176.420 176.094 0.018 0.000 1.035 609 V CA -0.863 61.441 62.300 0.008 0.000 0.889 609 V CB 1.998 33.826 31.823 0.008 0.000 0.988 609 V HN 0.913 nan 8.190 nan 0.000 0.440 610 S N 4.655 120.359 115.700 0.007 0.000 2.489 610 S HA 0.458 4.928 4.470 0.001 0.000 0.277 610 S C 0.665 175.238 174.600 -0.044 0.000 1.230 610 S CA -0.467 57.728 58.200 -0.008 0.000 1.053 610 S CB 0.673 63.867 63.200 -0.009 0.000 0.955 610 S HN 0.595 nan 8.310 nan 0.000 0.488 611 L N 3.013 124.188 121.223 -0.080 0.000 2.728 611 L HA 0.168 4.509 4.340 0.001 0.000 0.238 611 L C 1.270 178.010 176.870 -0.217 0.000 1.143 611 L CA -0.051 54.729 54.840 -0.099 0.000 0.937 611 L CB -0.183 41.844 42.059 -0.053 0.000 1.225 611 L HN 0.605 nan 8.230 nan 0.000 0.507 612 N N 0.734 119.222 118.700 -0.354 0.000 2.327 612 N HA 0.015 4.756 4.740 0.001 0.000 0.231 612 N C -0.080 175.277 175.510 -0.256 0.000 1.130 612 N CA -0.196 52.540 53.050 -0.522 0.000 0.845 612 N CB 0.426 38.240 38.487 -1.122 0.000 1.073 612 N HN 0.537 nan 8.380 nan 0.000 0.496 613 Q N -1.710 117.999 119.800 -0.151 0.000 2.630 613 Q HA 0.350 4.690 4.340 0.001 0.000 0.295 613 Q C -1.895 174.070 176.000 -0.059 0.000 0.944 613 Q CA -0.926 54.828 55.803 -0.082 0.000 0.766 613 Q CB 0.292 28.994 28.738 -0.060 0.000 1.471 613 Q HN -0.230 nan 8.270 nan 0.000 0.416 614 D N 1.059 121.435 120.400 -0.039 0.000 2.488 614 D HA 0.193 4.834 4.640 0.001 0.000 0.238 614 D C -0.936 175.335 176.300 -0.048 0.000 1.138 614 D CA 0.223 54.200 54.000 -0.038 0.000 0.873 614 D CB 0.617 41.400 40.800 -0.029 0.000 1.183 614 D HN 0.397 nan 8.370 nan 0.000 0.458 615 L N 2.588 123.771 121.223 -0.066 0.000 2.294 615 L HA 0.333 4.673 4.340 0.001 0.000 0.283 615 L C -0.566 176.250 176.870 -0.091 0.000 1.015 615 L CA -0.179 54.616 54.840 -0.076 0.000 0.831 615 L CB 1.418 43.418 42.059 -0.100 0.000 1.217 615 L HN 0.171 nan 8.230 nan 0.000 0.420 616 T N 6.432 120.949 114.554 -0.062 0.000 2.758 616 T HA 0.544 4.895 4.350 0.001 0.000 0.285 616 T C -0.128 174.541 174.700 -0.051 0.000 0.981 616 T CA -0.280 61.786 62.100 -0.057 0.000 0.965 616 T CB 0.687 69.533 68.868 -0.037 0.000 0.927 616 T HN 0.417 nan 8.240 nan 0.000 0.448 617 L N 3.486 124.673 121.223 -0.060 0.000 2.309 617 L HA 0.413 4.754 4.340 0.001 0.000 0.282 617 L C 0.694 177.537 176.870 -0.046 0.000 1.036 617 L CA -1.190 53.621 54.840 -0.048 0.000 0.806 617 L CB 1.107 43.136 42.059 -0.051 0.000 1.220 617 L HN 0.406 nan 8.230 nan 0.000 0.429 618 Q N 2.453 122.232 119.800 -0.035 0.000 2.471 618 Q HA 0.242 4.583 4.340 0.001 0.000 0.223 618 Q C -2.202 173.757 176.000 -0.069 0.000 1.045 618 Q CA -1.858 53.927 55.803 -0.029 0.000 0.956 618 Q CB -0.051 28.684 28.738 -0.005 0.000 1.249 618 Q HN 0.284 nan 8.270 nan 0.000 0.549 619 P HA -0.104 nan 4.420 nan 0.000 0.261 619 P C -0.806 176.385 177.300 -0.181 0.000 1.183 619 P CA 0.622 63.561 63.100 -0.269 0.000 0.761 619 P CB -0.057 31.517 31.700 -0.209 0.000 0.785 620 Y N -0.802 119.397 120.300 -0.167 0.000 4.705 620 Y HA -0.286 4.264 4.550 0.001 0.000 0.226 620 Y C 1.031 176.835 175.900 -0.159 0.000 1.039 620 Y CA 0.893 58.871 58.100 -0.204 0.000 1.968 620 Y CB -2.538 35.791 38.460 -0.217 0.000 1.614 620 Y HN 0.442 nan 8.280 nan 0.000 0.619 621 Q N 0.742 120.528 119.800 -0.023 0.000 2.392 621 Q HA 0.486 4.827 4.340 0.001 0.000 0.262 621 Q C -0.560 175.422 176.000 -0.029 0.000 1.003 621 Q CA -0.123 55.665 55.803 -0.025 0.000 0.888 621 Q CB 0.885 29.608 28.738 -0.025 0.000 1.260 621 Q HN 0.169 nan 8.270 nan 0.000 0.435 622 V N 4.888 124.768 119.914 -0.056 0.000 2.604 622 V HA 0.506 4.627 4.120 0.001 0.000 0.305 622 V C -0.270 175.774 176.094 -0.084 0.000 1.043 622 V CA -0.705 61.560 62.300 -0.058 0.000 0.888 622 V CB 1.797 33.536 31.823 -0.139 0.000 0.995 622 V HN 0.885 nan 8.190 nan 0.000 0.429 623 M N 3.735 123.350 119.600 0.025 0.000 2.395 623 M HA 0.485 4.966 4.480 0.001 0.000 0.307 623 M C -1.851 174.572 176.300 0.204 0.000 1.091 623 M CA -0.293 55.041 55.300 0.057 0.000 0.919 623 M CB 2.828 35.511 32.600 0.138 0.000 1.662 623 M HN 0.590 nan 8.290 nan 0.000 0.440 624 W N 5.059 126.355 121.300 -0.006 0.000 2.443 624 W HA 0.506 5.166 4.660 0.001 0.000 0.303 624 W C -1.370 175.124 176.519 -0.042 0.000 0.991 624 W CA -0.997 56.333 57.345 -0.025 0.000 1.522 624 W CB 0.421 29.959 29.460 0.130 0.000 1.315 624 W HN 0.464 nan 8.180 nan 0.000 0.419 625 L N 2.932 124.189 121.223 0.056 0.000 2.276 625 L HA 0.322 4.662 4.340 0.001 0.000 0.286 625 L C 0.819 177.665 176.870 -0.040 0.000 1.061 625 L CA -0.478 54.362 54.840 0.000 0.000 0.807 625 L CB 0.919 42.935 42.059 -0.071 0.000 1.177 625 L HN 0.162 nan 8.230 nan 0.000 0.429 626 E N 4.490 124.711 120.200 0.035 0.000 2.070 626 E HA 0.105 4.456 4.350 0.001 0.000 0.282 626 E C 0.690 177.279 176.600 -0.018 0.000 1.104 626 E CA -0.084 56.317 56.400 0.000 0.000 0.876 626 E CB 0.808 30.545 29.700 0.062 0.000 1.055 626 E HN 0.603 nan 8.360 nan 0.000 0.401 627 I N -0.599 119.929 120.570 -0.069 0.000 3.928 627 I HA 0.497 4.668 4.170 0.001 0.000 0.335 627 I C 0.434 176.526 176.117 -0.042 0.000 1.325 627 I CA -0.327 60.939 61.300 -0.057 0.000 1.107 627 I CB 0.443 38.383 38.000 -0.100 0.000 1.014 627 I HN 0.281 nan 8.210 nan 0.000 0.400 628 A N 0.000 122.794 122.820 -0.044 0.000 2.254 628 A HA 0.000 4.321 4.320 0.001 0.000 0.244 628 A CA 0.000 52.016 52.037 -0.035 0.000 0.836 628 A CB 0.000 18.974 19.000 -0.044 0.000 0.831 628 A HN 0.000 nan 8.150 nan 0.000 0.486