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 1s46_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 YLMPLFKCPE 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 PAVFFKSQAI 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 AGQIYQGLRH 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 0.000 174.638 174.600 0.063 0.000 1.055 1 S CA 0.000 58.222 58.200 0.036 0.000 1.107 1 S CB 0.000 63.214 63.200 0.023 0.000 0.593 2 P HA 0.445 nan 4.420 nan 0.000 0.274 2 P C -0.784 176.671 177.300 0.260 0.000 1.237 2 P CA -0.536 62.653 63.100 0.148 0.000 0.793 2 P CB 0.357 32.203 31.700 0.244 0.000 0.977 3 N N -1.676 117.137 118.700 0.189 0.000 2.502 3 N HA 0.184 4.925 4.740 0.001 0.000 0.280 3 N C 0.959 176.445 175.510 -0.040 0.000 1.223 3 N CA -0.762 52.396 53.050 0.181 0.000 0.966 3 N CB 0.570 39.125 38.487 0.113 0.000 1.203 3 N HN 0.272 nan 8.380 nan 0.000 0.565 4 S N -0.905 114.737 115.700 -0.096 0.000 2.368 4 S HA -0.225 4.246 4.470 0.001 0.000 0.225 4 S C 1.583 176.077 174.600 -0.177 0.000 1.030 4 S CA 1.227 59.234 58.200 -0.321 0.000 0.999 4 S CB -0.503 62.626 63.200 -0.119 0.000 0.844 4 S HN 0.638 nan 8.310 nan 0.000 0.459 5 Q N -1.169 118.604 119.800 -0.045 0.000 2.084 5 Q HA -0.166 4.175 4.340 0.001 0.000 0.202 5 Q C 1.949 177.976 176.000 0.045 0.000 0.978 5 Q CA 1.825 57.633 55.803 0.009 0.000 0.844 5 Q CB -0.285 28.474 28.738 0.036 0.000 0.898 5 Q HN 0.804 nan 8.270 nan 0.000 0.426 6 Y N 0.878 121.145 120.300 -0.054 0.000 2.114 6 Y HA -0.207 4.343 4.550 0.001 0.000 0.284 6 Y C 1.801 177.675 175.900 -0.043 0.000 1.143 6 Y CA 1.510 59.589 58.100 -0.036 0.000 1.135 6 Y CB -0.416 38.025 38.460 -0.030 0.000 0.980 6 Y HN 0.038 nan 8.280 nan 0.000 0.499 7 L N 0.136 121.218 121.223 -0.235 0.000 2.191 7 L HA -0.206 4.134 4.340 0.001 0.000 0.212 7 L C 2.365 179.137 176.870 -0.164 0.000 1.103 7 L CA 1.436 56.093 54.840 -0.306 0.000 0.769 7 L CB -0.493 41.383 42.059 -0.305 0.000 0.908 7 L HN 0.181 nan 8.230 nan 0.000 0.438 8 K N -0.370 119.988 120.400 -0.070 0.000 2.217 8 K HA -0.106 4.214 4.320 0.001 0.000 0.202 8 K C 2.128 178.798 176.600 0.117 0.000 1.051 8 K CA 1.731 58.108 56.287 0.150 0.000 0.952 8 K CB -0.089 32.534 32.500 0.204 0.000 0.736 8 K HN 0.453 nan 8.250 nan 0.000 0.453 9 T N -1.202 113.338 114.554 -0.025 0.000 2.985 9 T HA 0.027 4.377 4.350 0.001 0.000 0.266 9 T C 1.786 176.413 174.700 -0.121 0.000 1.076 9 T CA 0.283 62.344 62.100 -0.065 0.000 1.135 9 T CB 0.081 68.916 68.868 -0.055 0.000 0.890 9 T HN 0.022 nan 8.240 nan 0.000 0.480 10 R N 0.566 120.948 120.500 -0.196 0.000 2.153 10 R HA 0.309 4.650 4.340 0.001 0.000 0.218 10 R C 2.294 178.537 176.300 -0.094 0.000 1.072 10 R CA 0.554 56.538 56.100 -0.192 0.000 0.990 10 R CB -0.488 29.621 30.300 -0.319 0.000 0.889 10 R HN 0.470 nan 8.270 nan 0.000 0.452 11 I N 0.812 121.358 120.570 -0.040 0.000 2.353 11 I HA -0.197 3.974 4.170 0.001 0.000 0.248 11 I C 1.895 177.978 176.117 -0.058 0.000 1.119 11 I CA 1.029 62.343 61.300 0.023 0.000 1.417 11 I CB -0.078 38.026 38.000 0.173 0.000 1.078 11 I HN 0.023 nan 8.210 nan 0.000 0.421 12 L N 0.114 121.271 121.223 -0.111 0.000 2.552 12 L HA -0.074 4.267 4.340 0.001 0.000 0.227 12 L C 1.334 178.186 176.870 -0.031 0.000 1.146 12 L CA 0.336 55.124 54.840 -0.086 0.000 0.858 12 L CB -0.501 41.410 42.059 -0.247 0.000 0.969 12 L HN 0.175 nan 8.230 nan 0.000 0.451 13 D N 0.730 121.085 120.400 -0.076 0.000 2.350 13 D HA -0.108 4.533 4.640 0.001 0.000 0.216 13 D C 2.099 178.347 176.300 -0.087 0.000 0.968 13 D CA 0.933 54.895 54.000 -0.064 0.000 0.894 13 D CB 0.109 40.871 40.800 -0.062 0.000 0.909 13 D HN 0.536 nan 8.370 nan 0.000 0.520 14 I N -2.920 117.539 120.570 -0.185 0.000 2.928 14 I HA -0.035 4.136 4.170 0.001 0.000 0.266 14 I C 0.006 175.963 176.117 -0.266 0.000 1.234 14 I CA 0.278 61.421 61.300 -0.261 0.000 1.483 14 I CB -0.264 37.511 38.000 -0.375 0.000 1.097 14 I HN -0.278 nan 8.210 nan 0.000 0.455 15 Y N 2.698 122.978 120.300 -0.034 0.000 2.310 15 Y HA 0.402 4.952 4.550 0.001 0.000 0.326 15 Y C 1.186 177.060 175.900 -0.044 0.000 1.151 15 Y CA -1.359 56.717 58.100 -0.039 0.000 1.195 15 Y CB 0.831 39.249 38.460 -0.068 0.000 1.210 15 Y HN 0.025 nan 8.280 nan 0.000 0.483 16 T N -0.170 114.468 114.554 0.140 0.000 2.899 16 T HA 0.154 4.504 4.350 0.001 0.000 0.295 16 T C -1.956 172.768 174.700 0.040 0.000 1.033 16 T CA -1.750 60.388 62.100 0.062 0.000 1.084 16 T CB 1.160 70.055 68.868 0.045 0.000 0.979 16 T HN 0.358 nan 8.240 nan 0.000 0.532 17 P HA -0.156 nan 4.420 nan 0.000 0.218 17 P C 1.173 178.462 177.300 -0.018 0.000 1.150 17 P CA 1.183 64.279 63.100 -0.006 0.000 0.841 17 P CB 0.086 31.782 31.700 -0.005 0.000 0.784 18 E N -0.635 119.558 120.200 -0.011 0.000 2.046 18 E HA -0.185 4.166 4.350 0.001 0.000 0.190 18 E C 2.135 178.712 176.600 -0.039 0.000 0.982 18 E CA 1.219 57.607 56.400 -0.020 0.000 0.800 18 E CB -0.820 28.874 29.700 -0.008 0.000 0.756 18 E HN 0.511 nan 8.360 nan 0.000 0.449 19 Q N 0.186 119.965 119.800 -0.036 0.000 2.389 19 Q HA 0.036 4.377 4.340 0.001 0.000 0.204 19 Q C 2.110 177.991 176.000 -0.199 0.000 0.944 19 Q CA 0.552 56.303 55.803 -0.086 0.000 0.908 19 Q CB -0.030 28.686 28.738 -0.037 0.000 1.002 19 Q HN 0.071 nan 8.270 nan 0.000 0.493 20 R N 0.877 121.289 120.500 -0.146 0.000 2.092 20 R HA -0.054 4.287 4.340 0.001 0.000 0.231 20 R C 2.091 178.249 176.300 -0.237 0.000 1.119 20 R CA 1.263 57.234 56.100 -0.215 0.000 0.970 20 R CB -0.293 29.953 30.300 -0.090 0.000 0.864 20 R HN 0.355 nan 8.270 nan 0.000 0.440 21 A N -0.031 122.700 122.820 -0.148 0.000 2.015 21 A HA -0.021 4.299 4.320 0.001 0.000 0.219 21 A C 2.180 179.693 177.584 -0.119 0.000 1.163 21 A CA 1.480 53.447 52.037 -0.116 0.000 0.646 21 A CB -0.709 18.249 19.000 -0.070 0.000 0.806 21 A HN 0.567 nan 8.150 nan 0.000 0.448 22 G N -0.332 108.386 108.800 -0.136 0.000 2.408 22 G HA2 -0.002 3.958 3.960 0.001 0.000 0.215 22 G HA3 -0.002 3.958 3.960 0.001 0.000 0.215 22 G C 1.313 176.133 174.900 -0.133 0.000 1.156 22 G CA 0.974 46.007 45.100 -0.112 0.000 0.793 22 G HN 0.371 nan 8.290 nan 0.000 0.535 23 I N 0.957 121.376 120.570 -0.252 0.000 2.353 23 I HA -0.015 4.156 4.170 0.001 0.000 0.248 23 I C 2.506 178.460 176.117 -0.272 0.000 1.119 23 I CA 0.856 61.985 61.300 -0.286 0.000 1.417 23 I CB -0.168 37.479 38.000 -0.589 0.000 1.078 23 I HN 0.206 nan 8.210 nan 0.000 0.421 24 E N 0.230 120.232 120.200 -0.330 0.000 2.268 24 E HA -0.165 4.185 4.350 0.001 0.000 0.195 24 E C 1.445 178.067 176.600 0.037 0.000 0.995 24 E CA 0.631 56.905 56.400 -0.211 0.000 0.836 24 E CB 0.091 29.677 29.700 -0.191 0.000 0.763 24 E HN 0.325 nan 8.360 nan 0.000 0.491 25 K N 0.589 120.995 120.400 0.011 0.000 2.367 25 K HA 0.073 4.394 4.320 0.001 0.000 0.194 25 K C 0.854 177.503 176.600 0.082 0.000 1.027 25 K CA 0.090 56.406 56.287 0.048 0.000 1.075 25 K CB 0.645 33.154 32.500 0.015 0.000 0.845 25 K HN 0.027 nan 8.250 nan 0.000 0.529 26 S N 0.622 116.387 115.700 0.109 0.000 2.603 26 S HA 0.108 4.578 4.470 0.001 0.000 0.268 26 S C 1.219 175.940 174.600 0.201 0.000 1.317 26 S CA -0.419 57.868 58.200 0.147 0.000 1.012 26 S CB 1.803 65.104 63.200 0.168 0.000 0.926 26 S HN 0.060 nan 8.310 nan 0.000 0.539 27 E N 0.839 121.145 120.200 0.177 0.000 2.106 27 E HA -0.105 4.246 4.350 0.001 0.000 0.192 27 E C 1.114 177.877 176.600 0.272 0.000 0.984 27 E CA 1.530 58.038 56.400 0.180 0.000 0.806 27 E CB -0.378 29.399 29.700 0.129 0.000 0.750 27 E HN 0.738 nan 8.360 nan 0.000 0.458 28 D N -0.487 120.125 120.400 0.353 0.000 2.144 28 D HA -0.165 4.476 4.640 0.001 0.000 0.199 28 D C 1.464 178.203 176.300 0.731 0.000 0.984 28 D CA 0.830 55.168 54.000 0.564 0.000 0.834 28 D CB -0.459 40.635 40.800 0.489 0.000 0.955 28 D HN 0.394 nan 8.370 nan 0.000 0.465 29 W N 1.618 123.131 121.300 0.356 0.000 2.476 29 W HA -0.049 4.612 4.660 0.001 0.000 0.281 29 W C 2.162 178.747 176.519 0.110 0.000 1.230 29 W CA 0.446 57.836 57.345 0.075 0.000 1.287 29 W CB -0.035 29.312 29.460 -0.187 0.000 1.108 29 W HN -0.068 nan 8.180 nan 0.000 0.567 30 R N 0.392 120.974 120.500 0.137 0.000 2.120 30 R HA -0.187 4.154 4.340 0.001 0.000 0.234 30 R C 2.369 178.644 176.300 -0.042 0.000 1.123 30 R CA 1.645 57.757 56.100 0.020 0.000 0.975 30 R CB -0.189 30.165 30.300 0.090 0.000 0.866 30 R HN 0.092 nan 8.270 nan 0.000 0.446 31 Q N -0.689 119.140 119.800 0.049 0.000 2.096 31 Q HA -0.125 4.216 4.340 0.001 0.000 0.197 31 Q C 1.837 177.749 176.000 -0.146 0.000 0.964 31 Q CA 1.097 56.902 55.803 0.003 0.000 0.838 31 Q CB -0.315 28.509 28.738 0.142 0.000 0.906 31 Q HN 0.319 nan 8.270 nan 0.000 0.444 32 F N 1.413 121.177 119.950 -0.311 0.000 2.134 32 F HA -0.176 4.351 4.527 0.001 0.000 0.299 32 F C 2.588 178.069 175.800 -0.532 0.000 1.097 32 F CA 1.515 59.253 58.000 -0.437 0.000 1.264 32 F CB -0.190 38.663 39.000 -0.245 0.000 1.001 32 F HN -0.010 nan 8.300 nan 0.000 0.479 33 S N 0.054 115.360 115.700 -0.657 0.000 2.368 33 S HA -0.213 4.258 4.470 0.001 0.000 0.224 33 S C 2.360 176.710 174.600 -0.416 0.000 1.029 33 S CA 1.358 59.143 58.200 -0.691 0.000 0.988 33 S CB -0.454 62.313 63.200 -0.721 0.000 0.838 33 S HN 0.517 nan 8.310 nan 0.000 0.462 34 R N 0.303 120.620 120.500 -0.304 0.000 2.075 34 R HA 0.019 4.360 4.340 0.001 0.000 0.232 34 R C 2.435 178.609 176.300 -0.210 0.000 1.126 34 R CA 1.390 57.367 56.100 -0.204 0.000 0.963 34 R CB -0.189 30.029 30.300 -0.136 0.000 0.858 34 R HN 0.325 nan 8.270 nan 0.000 0.435 35 R N -0.496 119.857 120.500 -0.243 0.000 2.148 35 R HA 0.004 4.344 4.340 0.001 0.000 0.223 35 R C 2.326 178.509 176.300 -0.194 0.000 1.088 35 R CA 1.059 57.066 56.100 -0.155 0.000 0.985 35 R CB -0.060 30.125 30.300 -0.191 0.000 0.880 35 R HN 0.241 nan 8.270 nan 0.000 0.451 36 M N 0.622 119.984 119.600 -0.397 0.000 2.123 36 M HA -0.123 4.357 4.480 0.001 0.000 0.263 36 M C 1.192 177.410 176.300 -0.136 0.000 1.069 36 M CA 1.628 56.725 55.300 -0.338 0.000 1.133 36 M CB -0.536 31.742 32.600 -0.537 0.000 1.356 36 M HN 0.016 nan 8.290 nan 0.000 0.415 37 D N -0.299 119.998 120.400 -0.173 0.000 2.144 37 D HA -0.104 4.536 4.640 0.001 0.000 0.199 37 D C 1.888 178.120 176.300 -0.112 0.000 0.984 37 D CA 1.534 55.470 54.000 -0.107 0.000 0.834 37 D CB -0.242 40.486 40.800 -0.120 0.000 0.955 37 D HN 0.335 nan 8.370 nan 0.000 0.465 38 T N -0.341 114.094 114.554 -0.199 0.000 2.894 38 T HA -0.045 4.305 4.350 0.001 0.000 0.258 38 T C 1.439 175.878 174.700 -0.434 0.000 1.043 38 T CA 0.766 62.651 62.100 -0.358 0.000 1.141 38 T CB -0.017 68.527 68.868 -0.541 0.000 0.873 38 T HN 0.324 nan 8.240 nan 0.000 0.449 39 H N -0.860 118.166 119.070 -0.073 0.000 2.622 39 H HA 0.295 4.851 4.556 0.001 0.000 0.269 39 H C 1.660 176.962 175.328 -0.044 0.000 0.977 39 H CA -0.211 55.796 56.048 -0.068 0.000 1.179 39 H CB 0.010 29.721 29.762 -0.085 0.000 1.458 39 H HN 0.293 nan 8.280 nan 0.000 0.531 40 F N 3.236 123.166 119.950 -0.033 0.000 2.146 40 F HA 0.021 4.549 4.527 0.001 0.000 0.298 40 F C -0.924 174.859 175.800 -0.028 0.000 1.096 40 F CA 0.129 58.107 58.000 -0.036 0.000 1.275 40 F CB -0.807 38.156 39.000 -0.062 0.000 1.008 40 F HN 0.014 nan 8.300 nan 0.000 0.480 41 P HA -0.193 nan 4.420 nan 0.000 0.218 41 P C 1.192 178.320 177.300 -0.287 0.000 1.148 41 P CA 2.075 65.020 63.100 -0.259 0.000 0.822 41 P CB -0.081 31.559 31.700 -0.100 0.000 0.784 42 K N -1.146 119.130 120.400 -0.205 0.000 2.062 42 K HA -0.094 4.226 4.320 0.001 0.000 0.205 42 K C 1.930 178.403 176.600 -0.211 0.000 1.051 42 K CA 0.883 57.075 56.287 -0.159 0.000 0.941 42 K CB -0.781 31.678 32.500 -0.068 0.000 0.719 42 K HN 0.063 nan 8.250 nan 0.000 0.440 43 L N 0.969 122.031 121.223 -0.269 0.000 2.017 43 L HA -0.139 4.202 4.340 0.001 0.000 0.208 43 L C 2.296 178.937 176.870 -0.381 0.000 1.073 43 L CA 1.592 56.273 54.840 -0.265 0.000 0.745 43 L CB -0.383 41.569 42.059 -0.178 0.000 0.894 43 L HN 0.118 nan 8.230 nan 0.000 0.432 44 M N -0.177 119.032 119.600 -0.651 0.000 2.086 44 M HA -0.228 4.253 4.480 0.001 0.000 0.261 44 M C 2.138 178.260 176.300 -0.298 0.000 1.067 44 M CA 1.868 56.853 55.300 -0.526 0.000 1.116 44 M CB -1.004 31.172 32.600 -0.707 0.000 1.348 44 M HN 0.506 nan 8.290 nan 0.000 0.407 45 N N -0.491 118.044 118.700 -0.276 0.000 2.120 45 N HA -0.187 4.553 4.740 0.001 0.000 0.188 45 N C 1.373 176.764 175.510 -0.198 0.000 1.024 45 N CA 1.485 54.416 53.050 -0.198 0.000 0.852 45 N CB 0.027 38.412 38.487 -0.170 0.000 1.003 45 N HN 0.404 nan 8.380 nan 0.000 0.424 46 E N 0.997 121.068 120.200 -0.216 0.000 2.072 46 E HA -0.085 4.266 4.350 0.001 0.000 0.190 46 E C 2.228 178.648 176.600 -0.299 0.000 0.982 46 E CA 0.431 56.692 56.400 -0.231 0.000 0.803 46 E CB -0.296 29.285 29.700 -0.198 0.000 0.755 46 E HN 0.481 nan 8.360 nan 0.000 0.453 47 L N 0.730 121.775 121.223 -0.297 0.000 2.217 47 L HA -0.156 4.185 4.340 0.001 0.000 0.211 47 L C 2.160 178.921 176.870 -0.181 0.000 1.107 47 L CA 1.068 55.740 54.840 -0.280 0.000 0.783 47 L CB -0.232 41.696 42.059 -0.218 0.000 0.919 47 L HN 0.072 nan 8.230 nan 0.000 0.442 48 D N -0.432 119.867 120.400 -0.167 0.000 2.149 48 D HA -0.160 4.481 4.640 0.001 0.000 0.201 48 D C 2.259 178.466 176.300 -0.155 0.000 0.972 48 D CA 1.160 55.089 54.000 -0.119 0.000 0.835 48 D CB 0.248 40.984 40.800 -0.106 0.000 0.966 48 D HN 0.225 nan 8.370 nan 0.000 0.476 49 S N -0.987 114.587 115.700 -0.211 0.000 2.453 49 S HA -0.065 4.405 4.470 0.001 0.000 0.231 49 S C 1.856 176.263 174.600 -0.322 0.000 1.005 49 S CA 0.757 58.820 58.200 -0.228 0.000 0.949 49 S CB -0.041 63.024 63.200 -0.225 0.000 0.774 49 S HN 0.142 nan 8.310 nan 0.000 0.510 50 V N -0.214 119.427 119.914 -0.455 0.000 2.403 50 V HA 0.114 4.235 4.120 0.001 0.000 0.239 50 V C 1.950 177.710 176.094 -0.557 0.000 1.041 50 V CA 0.956 62.824 62.300 -0.720 0.000 1.051 50 V CB -0.817 30.350 31.823 -1.093 0.000 0.704 50 V HN 0.446 nan 8.190 nan 0.000 0.472 51 Y N 0.880 121.098 120.300 -0.137 0.000 2.476 51 Y HA 0.465 5.015 4.550 0.001 0.000 0.283 51 Y C 1.934 177.806 175.900 -0.047 0.000 1.109 51 Y CA 0.306 58.368 58.100 -0.063 0.000 1.246 51 Y CB -0.718 37.679 38.460 -0.104 0.000 1.068 51 Y HN 0.336 nan 8.280 nan 0.000 0.552 52 G N 1.114 109.939 108.800 0.041 0.000 2.574 52 G HA2 -0.374 3.587 3.960 0.001 0.000 0.301 52 G HA3 -0.374 3.587 3.960 0.001 0.000 0.301 52 G C 0.703 175.622 174.900 0.032 0.000 1.166 52 G CA 0.541 45.652 45.100 0.018 0.000 0.971 52 G HN 0.350 nan 8.290 nan 0.000 0.542 53 N N 2.434 121.155 118.700 0.036 0.000 2.327 53 N HA 0.075 4.815 4.740 0.001 0.000 0.231 53 N C 0.410 175.941 175.510 0.034 0.000 1.130 53 N CA -0.156 52.911 53.050 0.029 0.000 0.845 53 N CB -0.179 38.322 38.487 0.023 0.000 1.073 53 N HN 0.484 nan 8.380 nan 0.000 0.496 54 N N 1.879 120.605 118.700 0.043 0.000 2.454 54 N HA -0.081 4.660 4.740 0.001 0.000 0.260 54 N C 1.144 176.650 175.510 -0.006 0.000 1.218 54 N CA 0.242 53.307 53.050 0.025 0.000 0.904 54 N CB 1.090 39.584 38.487 0.011 0.000 1.065 54 N HN 0.273 nan 8.380 nan 0.000 0.462 55 E N 3.409 123.616 120.200 0.012 0.000 2.160 55 E HA -0.158 4.193 4.350 0.001 0.000 0.195 55 E C 1.340 177.944 176.600 0.008 0.000 0.991 55 E CA 1.744 58.158 56.400 0.023 0.000 0.810 55 E CB -0.245 29.485 29.700 0.049 0.000 0.742 55 E HN 0.540 nan 8.360 nan 0.000 0.466 56 A N 0.405 123.198 122.820 -0.045 0.000 2.169 56 A HA 0.143 4.464 4.320 0.001 0.000 0.212 56 A C 1.994 179.354 177.584 -0.373 0.000 1.153 56 A CA 0.586 52.529 52.037 -0.157 0.000 0.756 56 A CB -0.439 18.427 19.000 -0.225 0.000 0.813 56 A HN 0.282 nan 8.150 nan 0.000 0.471 57 L N -0.500 120.563 121.223 -0.267 0.000 1.994 57 L HA -0.137 4.204 4.340 0.001 0.000 0.208 57 L C 2.228 179.009 176.870 -0.148 0.000 1.071 57 L CA 2.162 56.852 54.840 -0.250 0.000 0.745 57 L CB -0.631 41.359 42.059 -0.114 0.000 0.892 57 L HN 0.364 nan 8.230 nan 0.000 0.431 58 L N -0.016 121.177 121.223 -0.051 0.000 2.017 58 L HA -0.066 4.275 4.340 0.001 0.000 0.208 58 L C -0.522 176.364 176.870 0.027 0.000 1.073 58 L CA 1.963 56.818 54.840 0.024 0.000 0.745 58 L CB -1.805 40.294 42.059 0.065 0.000 0.894 58 L HN 0.170 nan 8.230 nan 0.000 0.432 59 P HA -0.151 nan 4.420 nan 0.000 0.220 59 P C 1.932 179.273 177.300 0.068 0.000 1.148 59 P CA 1.196 64.359 63.100 0.105 0.000 0.803 59 P CB -0.196 31.634 31.700 0.218 0.000 0.782 60 M N -0.849 118.611 119.600 -0.234 0.000 2.156 60 M HA -0.076 4.404 4.480 0.001 0.000 0.264 60 M C 1.817 178.077 176.300 -0.067 0.000 1.067 60 M CA 1.675 56.732 55.300 -0.404 0.000 1.131 60 M CB -1.275 30.800 32.600 -0.874 0.000 1.368 60 M HN -0.079 nan 8.290 nan 0.000 0.416 61 L N 1.344 122.551 121.223 -0.026 0.000 2.046 61 L HA -0.160 4.181 4.340 0.001 0.000 0.208 61 L C 2.119 179.073 176.870 0.141 0.000 1.077 61 L CA 1.966 56.866 54.840 0.100 0.000 0.747 61 L CB -0.733 41.406 42.059 0.133 0.000 0.896 61 L HN 0.364 nan 8.230 nan 0.000 0.432 62 E N -0.968 119.299 120.200 0.112 0.000 2.106 62 E HA -0.279 4.072 4.350 0.001 0.000 0.192 62 E C 2.173 178.853 176.600 0.134 0.000 0.984 62 E CA 1.564 58.028 56.400 0.106 0.000 0.806 62 E CB -0.270 29.478 29.700 0.079 0.000 0.750 62 E HN 0.570 nan 8.360 nan 0.000 0.458 63 M N 0.782 120.474 119.600 0.155 0.000 2.175 63 M HA -0.137 4.343 4.480 0.001 0.000 0.264 63 M C 2.280 178.695 176.300 0.192 0.000 1.063 63 M CA 0.929 56.338 55.300 0.182 0.000 1.119 63 M CB 0.077 32.830 32.600 0.256 0.000 1.377 63 M HN 0.127 nan 8.290 nan 0.000 0.415 64 L N 0.723 122.065 121.223 0.199 0.000 2.056 64 L HA -0.118 4.222 4.340 0.001 0.000 0.207 64 L C 1.894 178.917 176.870 0.255 0.000 1.078 64 L CA 1.820 56.794 54.840 0.222 0.000 0.749 64 L CB -0.608 41.595 42.059 0.240 0.000 0.901 64 L HN 0.330 nan 8.230 nan 0.000 0.433 65 L N -0.663 120.718 121.223 0.262 0.000 2.156 65 L HA -0.078 4.263 4.340 0.001 0.000 0.208 65 L C 2.610 179.695 176.870 0.359 0.000 1.095 65 L CA 0.873 55.912 54.840 0.331 0.000 0.770 65 L CB -0.828 41.391 42.059 0.267 0.000 0.914 65 L HN 0.368 nan 8.230 nan 0.000 0.439 66 A N -0.477 122.500 122.820 0.262 0.000 1.929 66 A HA -0.240 4.080 4.320 0.001 0.000 0.216 66 A C 2.267 179.986 177.584 0.225 0.000 1.176 66 A CA 1.508 53.691 52.037 0.243 0.000 0.628 66 A CB -0.412 18.682 19.000 0.157 0.000 0.816 66 A HN 0.454 nan 8.150 nan 0.000 0.444 67 Q N -0.601 119.319 119.800 0.200 0.000 2.123 67 Q HA -0.039 4.302 4.340 0.001 0.000 0.199 67 Q C 2.114 178.223 176.000 0.181 0.000 0.966 67 Q CA 1.229 57.130 55.803 0.164 0.000 0.845 67 Q CB -0.296 28.543 28.738 0.167 0.000 0.907 67 Q HN 0.589 nan 8.270 nan 0.000 0.439 68 A N 0.899 123.879 122.820 0.266 0.000 1.972 68 A HA -0.188 4.133 4.320 0.001 0.000 0.219 68 A C 1.798 179.563 177.584 0.302 0.000 1.169 68 A CA 1.108 53.349 52.037 0.340 0.000 0.635 68 A CB -1.216 18.065 19.000 0.467 0.000 0.810 68 A HN 0.826 nan 8.150 nan 0.000 0.446 69 W N 0.344 121.615 121.300 -0.049 0.000 2.407 69 W HA -0.156 4.505 4.660 0.001 0.000 0.305 69 W C 1.783 178.236 176.519 -0.110 0.000 1.196 69 W CA 1.427 58.496 57.345 -0.459 0.000 1.311 69 W CB -0.192 29.016 29.460 -0.419 0.000 1.135 69 W HN 0.341 nan 8.180 nan 0.000 0.514 70 Q N 0.446 120.061 119.800 -0.309 0.000 2.135 70 Q HA -0.194 4.147 4.340 0.001 0.000 0.204 70 Q C 2.290 178.139 176.000 -0.253 0.000 0.981 70 Q CA 1.868 57.448 55.803 -0.372 0.000 0.856 70 Q CB -0.956 27.701 28.738 -0.135 0.000 0.902 70 Q HN 0.265 nan 8.270 nan 0.000 0.425 71 S N -0.342 115.309 115.700 -0.080 0.000 2.368 71 S HA -0.151 4.320 4.470 0.001 0.000 0.224 71 S C 1.826 176.417 174.600 -0.016 0.000 1.029 71 S CA 0.725 58.925 58.200 0.000 0.000 0.988 71 S CB -0.227 63.036 63.200 0.106 0.000 0.838 71 S HN 0.456 nan 8.310 nan 0.000 0.462 72 Y N 1.497 121.740 120.300 -0.094 0.000 2.314 72 Y HA 0.062 4.613 4.550 0.001 0.000 0.293 72 Y C 2.754 178.544 175.900 -0.183 0.000 1.129 72 Y CA 1.491 59.566 58.100 -0.042 0.000 1.201 72 Y CB -0.735 37.822 38.460 0.161 0.000 0.999 72 Y HN 0.339 nan 8.280 nan 0.000 0.541 73 S N -0.343 115.045 115.700 -0.520 0.000 2.368 73 S HA -0.215 4.256 4.470 0.001 0.000 0.224 73 S C 1.838 176.206 174.600 -0.387 0.000 1.029 73 S CA 1.663 59.482 58.200 -0.635 0.000 0.988 73 S CB -0.204 62.373 63.200 -1.038 0.000 0.838 73 S HN 0.678 nan 8.310 nan 0.000 0.462 74 Q N 0.309 119.926 119.800 -0.304 0.000 2.297 74 Q HA 0.084 4.424 4.340 0.001 0.000 0.204 74 Q C 0.958 176.856 176.000 -0.170 0.000 0.962 74 Q CA 0.221 55.911 55.803 -0.189 0.000 0.879 74 Q CB -0.010 28.654 28.738 -0.124 0.000 0.947 74 Q HN 0.395 nan 8.270 nan 0.000 0.462 75 R N 2.176 122.545 120.500 -0.218 0.000 2.585 75 R HA -0.056 4.285 4.340 0.001 0.000 0.275 75 R C -0.136 176.050 176.300 -0.191 0.000 1.018 75 R CA -0.134 55.848 56.100 -0.197 0.000 1.072 75 R CB 0.307 30.458 30.300 -0.248 0.000 0.953 75 R HN -0.001 nan 8.270 nan 0.000 0.419 76 N N 1.461 120.086 118.700 -0.124 0.000 2.454 76 N HA -0.057 4.684 4.740 0.001 0.000 0.254 76 N C 0.163 175.611 175.510 -0.103 0.000 1.228 76 N CA 0.464 53.457 53.050 -0.095 0.000 0.900 76 N CB 1.102 39.553 38.487 -0.060 0.000 1.089 76 N HN 0.525 nan 8.380 nan 0.000 0.449 77 S N 0.774 116.423 115.700 -0.086 0.000 2.447 77 S HA -0.132 4.339 4.470 0.001 0.000 0.233 77 S C 1.805 176.369 174.600 -0.061 0.000 1.006 77 S CA 1.128 59.285 58.200 -0.073 0.000 0.957 77 S CB -0.287 62.881 63.200 -0.053 0.000 0.773 77 S HN 0.797 nan 8.310 nan 0.000 0.507 78 S N 1.833 117.499 115.700 -0.057 0.000 2.406 78 S HA 0.101 4.572 4.470 0.001 0.000 0.228 78 S C 1.688 176.233 174.600 -0.091 0.000 1.020 78 S CA 0.556 58.718 58.200 -0.063 0.000 0.965 78 S CB -0.524 62.650 63.200 -0.044 0.000 0.798 78 S HN 0.444 nan 8.310 nan 0.000 0.488 79 L N 0.388 121.564 121.223 -0.078 0.000 2.270 79 L HA 0.172 4.513 4.340 0.001 0.000 0.210 79 L C 2.579 179.411 176.870 -0.064 0.000 1.104 79 L CA 0.820 55.609 54.840 -0.084 0.000 0.804 79 L CB -0.314 41.714 42.059 -0.051 0.000 0.937 79 L HN 0.248 nan 8.230 nan 0.000 0.450 80 K N -0.097 120.271 120.400 -0.054 0.000 2.288 80 K HA -0.104 4.216 4.320 0.001 0.000 0.201 80 K C 1.321 177.922 176.600 0.001 0.000 1.048 80 K CA 0.817 57.103 56.287 -0.002 0.000 0.956 80 K CB 0.064 32.542 32.500 -0.036 0.000 0.746 80 K HN 0.213 nan 8.250 nan 0.000 0.461 81 D N 0.752 121.125 120.400 -0.044 0.000 2.194 81 D HA -0.039 4.601 4.640 0.001 0.000 0.204 81 D C 1.693 177.936 176.300 -0.096 0.000 0.964 81 D CA 0.873 54.839 54.000 -0.057 0.000 0.846 81 D CB 0.100 40.860 40.800 -0.066 0.000 0.962 81 D HN 0.185 nan 8.370 nan 0.000 0.490 82 I N 0.879 121.368 120.570 -0.136 0.000 2.617 82 I HA -0.151 4.020 4.170 0.001 0.000 0.256 82 I C 1.668 177.680 176.117 -0.174 0.000 1.167 82 I CA 0.635 61.807 61.300 -0.213 0.000 1.469 82 I CB 0.005 37.827 38.000 -0.296 0.000 1.098 82 I HN -0.192 nan 8.210 nan 0.000 0.436 83 D N 1.264 121.616 120.400 -0.079 0.000 2.097 83 D HA -0.134 4.507 4.640 0.001 0.000 0.195 83 D C 2.291 178.581 176.300 -0.017 0.000 0.989 83 D CA 1.300 55.291 54.000 -0.015 0.000 0.827 83 D CB -0.024 40.833 40.800 0.095 0.000 0.966 83 D HN 0.172 nan 8.370 nan 0.000 0.456 84 I N 1.218 121.781 120.570 -0.012 0.000 2.252 84 I HA -0.176 3.995 4.170 0.001 0.000 0.245 84 I C 2.471 178.563 176.117 -0.043 0.000 1.102 84 I CA 0.645 61.939 61.300 -0.011 0.000 1.385 84 I CB -1.217 36.783 38.000 0.000 0.000 1.064 84 I HN -0.122 nan 8.210 nan 0.000 0.414 85 A N 1.001 123.769 122.820 -0.087 0.000 1.877 85 A HA -0.200 4.121 4.320 0.001 0.000 0.216 85 A C 2.457 179.958 177.584 -0.138 0.000 1.186 85 A CA 1.485 53.450 52.037 -0.119 0.000 0.620 85 A CB -0.572 18.324 19.000 -0.173 0.000 0.822 85 A HN 0.343 nan 8.150 nan 0.000 0.443 86 R N -0.927 119.454 120.500 -0.198 0.000 2.193 86 R HA -0.024 4.317 4.340 0.001 0.000 0.213 86 R C 2.106 178.423 176.300 0.029 0.000 1.055 86 R CA 1.018 57.002 56.100 -0.193 0.000 0.995 86 R CB -0.146 29.897 30.300 -0.428 0.000 0.893 86 R HN 0.764 nan 8.270 nan 0.000 0.459 87 E N 0.805 121.016 120.200 0.018 0.000 2.150 87 E HA -0.107 4.244 4.350 0.001 0.000 0.193 87 E C 0.870 177.487 176.600 0.027 0.000 0.985 87 E CA 0.842 57.269 56.400 0.044 0.000 0.814 87 E CB 0.240 29.954 29.700 0.024 0.000 0.752 87 E HN 0.263 nan 8.360 nan 0.000 0.466 88 N N 0.433 119.139 118.700 0.009 0.000 2.203 88 N HA 0.000 4.741 4.740 0.001 0.000 0.207 88 N C -0.447 175.072 175.510 0.015 0.000 1.130 88 N CA 0.116 53.168 53.050 0.003 0.000 0.861 88 N CB 0.654 39.138 38.487 -0.004 0.000 1.005 88 N HN -0.006 nan 8.380 nan 0.000 0.507 89 N N 0.874 119.598 118.700 0.040 0.000 2.716 89 N HA 0.175 4.915 4.740 0.001 0.000 0.245 89 N C -2.170 173.469 175.510 0.216 0.000 1.495 89 N CA -1.356 51.748 53.050 0.090 0.000 0.759 89 N CB 1.177 39.700 38.487 0.059 0.000 1.261 89 N HN -0.108 nan 8.380 nan 0.000 0.515 90 P HA 0.075 nan 4.420 nan 0.000 0.229 90 P C -0.219 177.273 177.300 0.319 0.000 1.160 90 P CA 0.731 64.007 63.100 0.292 0.000 0.777 90 P CB 0.556 32.221 31.700 -0.058 0.000 0.814 91 D N -0.577 119.966 120.400 0.239 0.000 2.325 91 D HA -0.025 4.616 4.640 0.001 0.000 0.225 91 D C 1.685 178.050 176.300 0.110 0.000 1.096 91 D CA -0.076 54.025 54.000 0.168 0.000 0.844 91 D CB -0.801 40.100 40.800 0.169 0.000 0.925 91 D HN 0.387 nan 8.370 nan 0.000 0.513 92 W N 1.416 122.732 121.300 0.027 0.000 2.392 92 W HA -0.141 4.520 4.660 0.001 0.000 0.279 92 W C 1.335 177.850 176.519 -0.007 0.000 1.225 92 W CA 0.529 57.861 57.345 -0.022 0.000 1.233 92 W CB -1.035 28.365 29.460 -0.100 0.000 1.122 92 W HN 0.081 nan 8.180 nan 0.000 0.561 93 I N -0.824 119.265 120.570 -0.802 0.000 2.676 93 I HA -0.086 4.085 4.170 0.001 0.000 0.259 93 I C 2.140 178.072 176.117 -0.308 0.000 1.194 93 I CA 1.066 61.904 61.300 -0.770 0.000 1.473 93 I CB -0.840 36.737 38.000 -0.705 0.000 1.096 93 I HN -0.111 nan 8.210 nan 0.000 0.443 94 L N 0.784 121.908 121.223 -0.165 0.000 2.558 94 L HA 0.155 4.496 4.340 0.001 0.000 0.225 94 L C 1.375 178.232 176.870 -0.022 0.000 1.128 94 L CA -0.071 54.728 54.840 -0.068 0.000 0.868 94 L CB -0.050 41.991 42.059 -0.029 0.000 1.006 94 L HN 0.202 nan 8.230 nan 0.000 0.454 95 S N 0.991 116.684 115.700 -0.011 0.000 2.549 95 S HA -0.024 4.447 4.470 0.001 0.000 0.283 95 S C 1.473 176.086 174.600 0.022 0.000 1.320 95 S CA -0.564 57.654 58.200 0.030 0.000 1.058 95 S CB 0.434 63.676 63.200 0.070 0.000 0.882 95 S HN 0.442 nan 8.310 nan 0.000 0.498 96 N N 4.959 123.683 118.700 0.039 0.000 2.453 96 N HA -0.099 4.642 4.740 0.001 0.000 0.183 96 N C 0.904 176.419 175.510 0.008 0.000 1.041 96 N CA 0.693 53.763 53.050 0.033 0.000 0.900 96 N CB -0.145 38.389 38.487 0.078 0.000 0.961 96 N HN 0.613 nan 8.380 nan 0.000 0.443 97 K N -0.046 120.371 120.400 0.029 0.000 2.362 97 K HA 0.020 4.341 4.320 0.001 0.000 0.200 97 K C 0.271 176.893 176.600 0.036 0.000 1.046 97 K CA 0.523 56.830 56.287 0.033 0.000 0.952 97 K CB 0.098 32.631 32.500 0.055 0.000 0.753 97 K HN 0.285 nan 8.250 nan 0.000 0.466 98 Q N 1.253 121.070 119.800 0.029 0.000 2.294 98 Q HA 0.227 4.568 4.340 0.001 0.000 0.257 98 Q C -0.742 175.239 176.000 -0.032 0.000 0.955 98 Q CA 0.035 55.850 55.803 0.020 0.000 0.936 98 Q CB 1.718 30.454 28.738 -0.003 0.000 1.188 98 Q HN -0.131 nan 8.270 nan 0.000 0.420 99 V N 1.510 121.412 119.914 -0.020 0.000 2.623 99 V HA 0.658 4.779 4.120 0.001 0.000 0.304 99 V C 0.140 176.211 176.094 -0.039 0.000 1.054 99 V CA -0.832 61.444 62.300 -0.039 0.000 0.882 99 V CB 2.174 33.992 31.823 -0.009 0.000 1.002 99 V HN 0.846 nan 8.190 nan 0.000 0.424 100 G N 2.129 110.856 108.800 -0.122 0.000 2.489 100 G HA2 0.811 4.771 3.960 0.001 0.000 0.327 100 G HA3 0.811 4.771 3.960 0.001 0.000 0.327 100 G C -0.376 174.557 174.900 0.055 0.000 1.189 100 G CA -0.419 44.640 45.100 -0.069 0.000 0.962 100 G HN 1.106 nan 8.290 nan 0.000 0.486 101 G N -1.767 107.104 108.800 0.119 0.000 2.667 101 G HA2 0.646 4.606 3.960 0.001 0.000 0.298 101 G HA3 0.646 4.606 3.960 0.001 0.000 0.298 101 G C -1.690 173.224 174.900 0.023 0.000 1.377 101 G CA -0.487 44.634 45.100 0.035 0.000 0.964 101 G HN 1.293 nan 8.290 nan 0.000 0.493 102 V N 0.817 120.727 119.914 -0.005 0.000 2.709 102 V HA 0.825 4.945 4.120 0.001 0.000 0.308 102 V C -0.345 175.562 176.094 -0.313 0.000 1.062 102 V CA -0.344 61.896 62.300 -0.100 0.000 0.901 102 V CB 1.094 33.006 31.823 0.148 0.000 1.003 102 V HN 1.678 nan 8.190 nan 0.000 0.425 103 C N 3.675 122.724 119.300 -0.418 0.000 3.285 103 C HA 0.675 5.136 4.460 0.001 0.000 0.325 103 C C -1.332 173.495 174.990 -0.271 0.000 1.304 103 C CA -1.136 57.663 59.018 -0.366 0.000 1.319 103 C CB 0.864 28.254 27.740 -0.583 0.000 1.640 103 C HN 0.861 nan 8.230 nan 0.000 0.477 104 Y N 1.411 121.673 120.300 -0.064 0.000 2.327 104 Y HA 0.377 4.927 4.550 0.001 0.000 0.336 104 Y C 1.522 177.466 175.900 0.073 0.000 1.035 104 Y CA 0.067 58.169 58.100 0.003 0.000 1.165 104 Y CB 1.539 40.058 38.460 0.098 0.000 1.181 104 Y HN 0.612 nan 8.280 nan 0.000 0.494 105 V N 2.536 122.544 119.914 0.157 0.000 2.392 105 V HA -0.305 3.815 4.120 0.001 0.000 0.249 105 V C 1.866 178.055 176.094 0.158 0.000 1.059 105 V CA 2.315 64.697 62.300 0.137 0.000 1.051 105 V CB -0.363 31.488 31.823 0.046 0.000 0.658 105 V HN 0.898 nan 8.190 nan 0.000 0.455 106 D N 0.128 120.630 120.400 0.170 0.000 2.149 106 D HA -0.143 4.498 4.640 0.001 0.000 0.201 106 D C 1.988 178.371 176.300 0.138 0.000 0.972 106 D CA 1.210 55.285 54.000 0.125 0.000 0.835 106 D CB -0.313 40.550 40.800 0.105 0.000 0.966 106 D HN 0.446 nan 8.370 nan 0.000 0.476 107 L N -1.315 120.037 121.223 0.214 0.000 2.209 107 L HA 0.065 4.405 4.340 0.001 0.000 0.207 107 L C 2.410 179.443 176.870 0.271 0.000 1.094 107 L CA 0.485 55.455 54.840 0.216 0.000 0.790 107 L CB -0.325 41.868 42.059 0.223 0.000 0.932 107 L HN -0.086 nan 8.230 nan 0.000 0.447 108 F N 0.032 120.074 119.950 0.152 0.000 2.387 108 F HA 0.150 4.678 4.527 0.001 0.000 0.294 108 F C 1.839 177.611 175.800 -0.047 0.000 1.093 108 F CA 0.854 58.943 58.000 0.149 0.000 1.420 108 F CB 0.313 39.425 39.000 0.186 0.000 1.086 108 F HN -0.054 nan 8.300 nan 0.000 0.531 109 A N -1.616 121.247 122.820 0.071 0.000 2.701 109 A HA 0.564 4.884 4.320 0.001 0.000 0.241 109 A C 1.403 178.943 177.584 -0.073 0.000 1.231 109 A CA 0.608 52.583 52.037 -0.103 0.000 1.003 109 A CB -0.475 18.521 19.000 -0.006 0.000 1.281 109 A HN 0.663 nan 8.150 nan 0.000 0.600 110 G N 0.761 109.552 108.800 -0.014 0.000 3.909 110 G HA2 -0.264 3.696 3.960 0.001 0.000 0.218 110 G HA3 -0.264 3.696 3.960 0.001 0.000 0.218 110 G C 0.008 174.907 174.900 -0.003 0.000 1.404 110 G CA 1.122 46.212 45.100 -0.017 0.000 0.905 110 G HN 1.353 nan 8.290 nan 0.000 0.589 111 D N -0.855 119.537 120.400 -0.012 0.000 2.752 111 D HA 0.610 5.251 4.640 0.001 0.000 0.313 111 D C 1.189 177.483 176.300 -0.009 0.000 1.225 111 D CA -0.457 53.535 54.000 -0.012 0.000 0.976 111 D CB 0.110 40.895 40.800 -0.025 0.000 1.443 111 D HN 0.261 nan 8.370 nan 0.000 0.515 112 L N -0.512 120.699 121.223 -0.020 0.000 2.141 112 L HA -0.029 4.312 4.340 0.001 0.000 0.209 112 L C 2.112 178.972 176.870 -0.016 0.000 1.094 112 L CA 1.069 55.898 54.840 -0.019 0.000 0.763 112 L CB -0.337 41.697 42.059 -0.041 0.000 0.908 112 L HN 0.361 nan 8.230 nan 0.000 0.437 113 K N -0.275 120.110 120.400 -0.025 0.000 2.155 113 K HA -0.052 4.268 4.320 0.001 0.000 0.203 113 K C 2.095 178.674 176.600 -0.035 0.000 1.052 113 K CA 1.067 57.337 56.287 -0.028 0.000 0.948 113 K CB -0.260 32.221 32.500 -0.032 0.000 0.728 113 K HN 0.363 nan 8.250 nan 0.000 0.448 114 G N 1.145 109.920 108.800 -0.042 0.000 2.464 114 G HA2 -0.187 3.774 3.960 0.001 0.000 0.217 114 G HA3 -0.187 3.774 3.960 0.001 0.000 0.217 114 G C 1.394 176.261 174.900 -0.055 0.000 1.138 114 G CA 0.145 45.204 45.100 -0.068 0.000 0.793 114 G HN 0.128 nan 8.290 nan 0.000 0.539 115 L N 1.324 122.550 121.223 0.004 0.000 2.109 115 L HA 0.096 4.437 4.340 0.001 0.000 0.207 115 L C 2.797 179.708 176.870 0.068 0.000 1.086 115 L CA 2.110 56.997 54.840 0.080 0.000 0.760 115 L CB -0.277 41.853 42.059 0.118 0.000 0.910 115 L HN 0.384 nan 8.230 nan 0.000 0.437 116 K N -2.111 118.304 120.400 0.025 0.000 2.439 116 K HA -0.070 4.251 4.320 0.001 0.000 0.197 116 K C 0.852 177.440 176.600 -0.020 0.000 1.041 116 K CA 1.225 57.523 56.287 0.019 0.000 0.970 116 K CB -0.251 32.253 32.500 0.007 0.000 0.773 116 K HN 0.244 nan 8.250 nan 0.000 0.479 117 D N 1.101 121.468 120.400 -0.055 0.000 2.348 117 D HA 0.003 4.644 4.640 0.001 0.000 0.211 117 D C 1.157 177.372 176.300 -0.142 0.000 0.998 117 D CA 0.535 54.482 54.000 -0.088 0.000 0.873 117 D CB 0.330 41.070 40.800 -0.101 0.000 0.925 117 D HN 0.133 nan 8.370 nan 0.000 0.524 118 K N 0.432 120.719 120.400 -0.189 0.000 2.404 118 K HA 0.190 4.510 4.320 0.001 0.000 0.194 118 K C 1.901 178.121 176.600 -0.634 0.000 1.023 118 K CA -0.147 55.911 56.287 -0.382 0.000 1.094 118 K CB 0.621 32.903 32.500 -0.363 0.000 0.841 118 K HN 0.247 nan 8.250 nan 0.000 0.523 119 I N 1.522 121.937 120.570 -0.258 0.000 2.226 119 I HA -0.199 3.972 4.170 0.001 0.000 0.245 119 I C -0.882 175.209 176.117 -0.044 0.000 1.100 119 I CA 1.197 62.466 61.300 -0.052 0.000 1.374 119 I CB -1.065 36.994 38.000 0.098 0.000 1.057 119 I HN 0.004 nan 8.210 nan 0.000 0.413 120 P HA -0.201 nan 4.420 nan 0.000 0.220 120 P C 1.414 178.725 177.300 0.018 0.000 1.148 120 P CA 1.241 64.343 63.100 0.004 0.000 0.803 120 P CB -0.087 31.616 31.700 0.006 0.000 0.782 121 Y N -0.693 119.527 120.300 -0.135 0.000 2.263 121 Y HA -0.124 4.427 4.550 0.001 0.000 0.292 121 Y C 1.782 177.741 175.900 0.099 0.000 1.130 121 Y CA 1.266 59.327 58.100 -0.064 0.000 1.179 121 Y CB -0.899 37.465 38.460 -0.160 0.000 0.998 121 Y HN -0.180 nan 8.280 nan 0.000 0.532 122 F N 0.702 120.598 119.950 -0.090 0.000 2.293 122 F HA -0.159 4.368 4.527 0.001 0.000 0.300 122 F C 2.323 178.062 175.800 -0.101 0.000 1.086 122 F CA 1.226 59.151 58.000 -0.125 0.000 1.375 122 F CB -1.067 37.944 39.000 0.017 0.000 1.045 122 F HN 0.189 nan 8.300 nan 0.000 0.516 123 Q N -0.378 119.486 119.800 0.107 0.000 2.187 123 Q HA -0.143 4.197 4.340 0.001 0.000 0.199 123 Q C 2.168 178.190 176.000 0.038 0.000 0.957 123 Q CA 0.968 56.816 55.803 0.075 0.000 0.857 123 Q CB -0.188 28.593 28.738 0.071 0.000 0.929 123 Q HN 0.495 nan 8.270 nan 0.000 0.453 124 E N 0.701 120.904 120.200 0.004 0.000 2.106 124 E HA -0.180 4.170 4.350 0.001 0.000 0.192 124 E C 1.786 178.415 176.600 0.048 0.000 0.984 124 E CA 0.574 57.001 56.400 0.045 0.000 0.806 124 E CB 0.143 29.898 29.700 0.092 0.000 0.750 124 E HN 0.188 nan 8.360 nan 0.000 0.458 125 L N -0.109 121.069 121.223 -0.075 0.000 2.291 125 L HA 0.125 4.465 4.340 0.001 0.000 0.214 125 L C 1.263 178.124 176.870 -0.016 0.000 1.120 125 L CA 1.848 56.667 54.840 -0.034 0.000 0.799 125 L CB 0.113 42.105 42.059 -0.111 0.000 0.925 125 L HN 0.319 nan 8.230 nan 0.000 0.446 126 G N -0.630 108.175 108.800 0.009 0.000 2.140 126 G HA2 -0.210 3.750 3.960 0.001 0.000 0.211 126 G HA3 -0.210 3.750 3.960 0.001 0.000 0.211 126 G C 0.109 175.030 174.900 0.036 0.000 1.013 126 G CA 0.162 45.275 45.100 0.022 0.000 0.705 126 G HN 0.297 nan 8.290 nan 0.000 0.508 127 L N 0.646 121.903 121.223 0.056 0.000 2.397 127 L HA 0.531 4.872 4.340 0.001 0.000 0.271 127 L C 1.655 178.581 176.870 0.092 0.000 1.148 127 L CA 0.591 55.470 54.840 0.065 0.000 0.825 127 L CB 1.114 43.197 42.059 0.040 0.000 1.117 127 L HN 0.388 nan 8.230 nan 0.000 0.456 128 T N -1.796 112.828 114.554 0.117 0.000 3.111 128 T HA 0.168 4.519 4.350 0.001 0.000 0.284 128 T C -0.474 174.375 174.700 0.248 0.000 0.983 128 T CA -0.238 61.955 62.100 0.154 0.000 0.900 128 T CB -0.028 68.927 68.868 0.146 0.000 1.132 128 T HN 0.424 nan 8.240 nan 0.000 0.531 129 Y N 0.646 120.969 120.300 0.038 0.000 2.390 129 Y HA 0.640 5.190 4.550 0.001 0.000 0.324 129 Y C -2.464 173.417 175.900 -0.032 0.000 1.151 129 Y CA -2.105 56.020 58.100 0.042 0.000 1.053 129 Y CB 1.614 40.108 38.460 0.058 0.000 1.277 129 Y HN 0.200 nan 8.280 nan 0.000 0.432 130 L N 7.966 129.198 121.223 0.014 0.000 2.372 130 L HA 0.474 4.815 4.340 0.001 0.000 0.274 130 L C -2.160 174.666 176.870 -0.074 0.000 0.988 130 L CA -0.715 54.069 54.840 -0.094 0.000 0.833 130 L CB 1.030 42.920 42.059 -0.283 0.000 1.236 130 L HN 0.625 nan 8.230 nan 0.000 0.410 131 Y N 6.067 126.304 120.300 -0.106 0.000 2.367 131 Y HA 0.599 5.150 4.550 0.001 0.000 0.342 131 Y C -1.332 174.496 175.900 -0.121 0.000 0.979 131 Y CA -1.332 56.714 58.100 -0.090 0.000 1.161 131 Y CB 0.741 39.243 38.460 0.070 0.000 1.155 131 Y HN 0.518 nan 8.280 nan 0.000 0.503 132 L N 7.401 128.503 121.223 -0.202 0.000 2.295 132 L HA 0.343 4.684 4.340 0.001 0.000 0.285 132 L C 0.020 176.613 176.870 -0.462 0.000 1.035 132 L CA -0.855 53.783 54.840 -0.336 0.000 0.806 132 L CB 1.075 43.046 42.059 -0.147 0.000 1.214 132 L HN 0.545 nan 8.230 nan 0.000 0.426 133 M N 2.774 121.990 119.600 -0.640 0.000 2.207 133 M HA 0.209 4.689 4.480 0.001 0.000 0.311 133 M C -2.036 174.071 176.300 -0.321 0.000 1.127 133 M CA -2.199 52.713 55.300 -0.647 0.000 1.181 133 M CB -0.778 31.179 32.600 -1.070 0.000 1.409 133 M HN 0.181 nan 8.290 nan 0.000 0.461 134 P HA -0.097 nan 4.420 nan 0.000 0.252 134 P C 0.237 177.486 177.300 -0.086 0.000 1.136 134 P CA 0.719 63.707 63.100 -0.187 0.000 0.778 134 P CB -0.081 31.398 31.700 -0.368 0.000 0.722 135 L N 2.090 123.269 121.223 -0.074 0.000 2.463 135 L HA 0.152 4.493 4.340 0.001 0.000 0.219 135 L C 0.938 177.595 176.870 -0.355 0.000 1.088 135 L CA 0.113 54.807 54.840 -0.243 0.000 0.849 135 L CB -0.250 41.563 42.059 -0.411 0.000 1.012 135 L HN 0.233 nan 8.230 nan 0.000 0.468 136 F N 0.383 120.334 119.950 0.002 0.000 2.378 136 F HA 0.226 4.753 4.527 0.001 0.000 0.319 136 F C 1.034 176.806 175.800 -0.046 0.000 1.155 136 F CA -0.689 57.310 58.000 -0.003 0.000 1.157 136 F CB 0.343 39.360 39.000 0.028 0.000 1.252 136 F HN -0.244 nan 8.300 nan 0.000 0.550 137 K N 1.705 122.186 120.400 0.136 0.000 2.491 137 K HA 0.151 4.472 4.320 0.001 0.000 0.279 137 K C -1.033 175.551 176.600 -0.027 0.000 1.026 137 K CA 0.036 56.332 56.287 0.015 0.000 1.070 137 K CB -0.253 32.235 32.500 -0.020 0.000 0.887 137 K HN 0.779 nan 8.250 nan 0.000 0.481 138 C N 2.674 121.955 119.300 -0.032 0.000 2.994 138 C HA 0.646 5.107 4.460 0.001 0.000 0.304 138 C C -2.710 172.242 174.990 -0.062 0.000 1.273 138 C CA -2.477 56.520 59.018 -0.036 0.000 1.537 138 C CB 0.851 28.600 27.740 0.014 0.000 2.001 138 C HN 0.613 nan 8.230 nan 0.000 0.471 139 P HA 0.256 nan 4.420 nan 0.000 0.269 139 P C -0.432 176.799 177.300 -0.115 0.000 1.215 139 P CA 0.134 63.162 63.100 -0.120 0.000 0.780 139 P CB 0.436 32.035 31.700 -0.167 0.000 0.898 140 E N 0.742 120.876 120.200 -0.109 0.000 2.360 140 E HA 0.343 4.694 4.350 0.001 0.000 0.269 140 E C 0.852 177.379 176.600 -0.122 0.000 1.022 140 E CA 0.688 57.030 56.400 -0.097 0.000 0.887 140 E CB 0.001 29.651 29.700 -0.083 0.000 0.990 140 E HN 0.653 nan 8.360 nan 0.000 0.426 141 G N 4.269 113.003 108.800 -0.111 0.000 2.826 141 G HA2 -0.250 3.711 3.960 0.001 0.000 0.233 141 G HA3 -0.250 3.711 3.960 0.001 0.000 0.233 141 G C -0.832 173.990 174.900 -0.130 0.000 1.296 141 G CA -0.310 44.717 45.100 -0.122 0.000 1.001 141 G HN 0.544 nan 8.290 nan 0.000 0.576 142 K N 1.598 121.884 120.400 -0.191 0.000 2.316 142 K HA 0.498 4.819 4.320 0.001 0.000 0.289 142 K C 0.591 176.948 176.600 -0.404 0.000 1.070 142 K CA 0.576 56.749 56.287 -0.191 0.000 0.928 142 K CB 1.032 33.438 32.500 -0.158 0.000 1.039 142 K HN 0.789 nan 8.250 nan 0.000 0.480 143 S N 1.189 116.880 115.700 -0.014 0.000 2.960 143 S HA 0.018 4.488 4.470 0.001 0.000 0.256 143 S C -0.001 174.877 174.600 0.464 0.000 1.017 143 S CA -0.324 57.951 58.200 0.126 0.000 1.144 143 S CB 0.054 63.303 63.200 0.081 0.000 1.109 143 S HN 0.736 nan 8.310 nan 0.000 0.638 144 D N 1.726 122.468 120.400 0.570 0.000 2.746 144 D HA -0.118 4.522 4.640 0.001 0.000 0.236 144 D C 0.908 177.527 176.300 0.531 0.000 1.129 144 D CA 1.515 55.836 54.000 0.536 0.000 0.691 144 D CB -1.734 39.374 40.800 0.513 0.000 1.077 144 D HN 1.474 nan 8.370 nan 0.000 0.432 145 G N -0.835 108.305 108.800 0.566 0.000 2.273 145 G HA2 0.113 4.074 3.960 0.001 0.000 0.280 145 G HA3 0.113 4.074 3.960 0.001 0.000 0.280 145 G C 1.452 176.594 174.900 0.403 0.000 1.047 145 G CA 0.911 46.345 45.100 0.556 0.000 0.869 145 G HN 1.777 nan 8.290 nan 0.000 0.502 146 G N -2.202 106.776 108.800 0.297 0.000 2.175 146 G HA2 -0.298 3.663 3.960 0.001 0.000 0.244 146 G HA3 -0.298 3.663 3.960 0.001 0.000 0.244 146 G C 0.705 175.624 174.900 0.032 0.000 0.982 146 G CA 0.833 46.004 45.100 0.118 0.000 0.641 146 G HN 1.045 nan 8.290 nan 0.000 0.527 147 Y N 0.908 121.337 120.300 0.216 0.000 2.502 147 Y HA 0.513 5.064 4.550 0.001 0.000 0.295 147 Y C 1.782 177.823 175.900 0.236 0.000 1.193 147 Y CA 0.844 59.064 58.100 0.201 0.000 1.295 147 Y CB 0.540 39.123 38.460 0.205 0.000 1.059 147 Y HN 0.562 nan 8.280 nan 0.000 0.514 148 A N 0.525 123.545 122.820 0.334 0.000 2.786 148 A HA 0.537 4.858 4.320 0.001 0.000 0.346 148 A C -0.628 177.021 177.584 0.109 0.000 1.265 148 A CA -0.511 51.710 52.037 0.306 0.000 0.858 148 A CB -0.473 18.802 19.000 0.457 0.000 1.118 148 A HN 0.012 nan 8.150 nan 0.000 0.482 149 V N 1.974 121.885 119.914 -0.004 0.000 2.521 149 V HA 0.096 4.217 4.120 0.001 0.000 0.286 149 V C 1.189 177.190 176.094 -0.155 0.000 1.034 149 V CA 0.623 62.818 62.300 -0.174 0.000 1.045 149 V CB 1.093 32.627 31.823 -0.483 0.000 0.974 149 V HN 0.837 nan 8.190 nan 0.000 0.480 150 S N 2.338 117.933 115.700 -0.176 0.000 2.492 150 S HA 0.119 4.590 4.470 0.001 0.000 0.218 150 S C 0.678 174.943 174.600 -0.559 0.000 1.016 150 S CA 0.430 58.475 58.200 -0.259 0.000 0.916 150 S CB 0.372 63.444 63.200 -0.214 0.000 0.791 150 S HN 0.762 nan 8.310 nan 0.000 0.513 151 S N -0.291 115.152 115.700 -0.428 0.000 2.626 151 S HA 0.432 4.902 4.470 0.001 0.000 0.275 151 S C -0.801 173.651 174.600 -0.247 0.000 1.175 151 S CA -0.554 57.403 58.200 -0.405 0.000 0.982 151 S CB 0.366 63.415 63.200 -0.251 0.000 1.093 151 S HN 0.223 nan 8.310 nan 0.000 0.472 152 Y N 3.181 123.369 120.300 -0.188 0.000 2.546 152 Y HA 0.236 4.787 4.550 0.001 0.000 0.287 152 Y C 2.320 177.911 175.900 -0.515 0.000 1.158 152 Y CA 0.107 57.984 58.100 -0.373 0.000 1.307 152 Y CB 0.232 38.519 38.460 -0.288 0.000 1.036 152 Y HN 0.486 nan 8.280 nan 0.000 0.532 153 R N -0.418 119.997 120.500 -0.141 0.000 2.146 153 R HA 0.094 4.435 4.340 0.001 0.000 0.206 153 R C -0.478 175.982 176.300 0.267 0.000 1.049 153 R CA 0.464 56.468 56.100 -0.160 0.000 1.029 153 R CB -0.220 29.892 30.300 -0.314 0.000 0.949 153 R HN 0.195 nan 8.270 nan 0.000 0.471 154 D N 1.743 122.283 120.400 0.234 0.000 2.280 154 D HA 0.170 4.810 4.640 0.001 0.000 0.243 154 D C -0.028 176.440 176.300 0.281 0.000 1.129 154 D CA -0.298 53.830 54.000 0.215 0.000 0.848 154 D CB 2.381 43.218 40.800 0.063 0.000 1.107 154 D HN -0.292 nan 8.370 nan 0.000 0.471 155 V N 2.718 122.697 119.914 0.108 0.000 2.811 155 V HA -0.031 4.089 4.120 0.001 0.000 0.302 155 V C 0.960 177.007 176.094 -0.078 0.000 1.063 155 V CA -0.619 61.585 62.300 -0.159 0.000 1.088 155 V CB 0.957 32.630 31.823 -0.249 0.000 0.982 155 V HN 0.502 nan 8.190 nan 0.000 0.485 156 N N 6.535 125.172 118.700 -0.106 0.000 2.414 156 N HA 0.028 4.769 4.740 0.001 0.000 0.268 156 N C -1.060 174.417 175.510 -0.055 0.000 1.286 156 N CA -1.431 51.585 53.050 -0.058 0.000 0.896 156 N CB 0.947 39.403 38.487 -0.050 0.000 1.093 156 N HN 0.357 nan 8.380 nan 0.000 0.480 157 P HA -0.184 nan 4.420 nan 0.000 0.220 157 P C 0.583 177.863 177.300 -0.034 0.000 1.144 157 P CA 1.143 64.222 63.100 -0.035 0.000 0.800 157 P CB 0.106 31.788 31.700 -0.031 0.000 0.772 158 A N -0.723 122.078 122.820 -0.032 0.000 2.119 158 A HA -0.002 4.319 4.320 0.001 0.000 0.217 158 A C 2.265 179.833 177.584 -0.026 0.000 1.153 158 A CA 0.835 52.856 52.037 -0.026 0.000 0.692 158 A CB -1.061 17.926 19.000 -0.020 0.000 0.799 158 A HN 0.184 nan 8.150 nan 0.000 0.458 159 L N -2.427 118.775 121.223 -0.036 0.000 2.470 159 L HA 0.399 4.740 4.340 0.001 0.000 0.219 159 L C 1.302 178.142 176.870 -0.050 0.000 1.071 159 L CA 0.521 55.336 54.840 -0.041 0.000 0.850 159 L CB -0.032 41.992 42.059 -0.059 0.000 1.040 159 L HN 0.554 nan 8.230 nan 0.000 0.475 160 G N -0.134 108.633 108.800 -0.054 0.000 2.302 160 G HA2 0.045 4.005 3.960 0.001 0.000 0.264 160 G HA3 0.045 4.005 3.960 0.001 0.000 0.264 160 G C -0.671 174.200 174.900 -0.049 0.000 1.335 160 G CA -0.178 44.893 45.100 -0.048 0.000 0.982 160 G HN 0.042 nan 8.290 nan 0.000 0.473 161 T N -1.957 112.575 114.554 -0.037 0.000 2.922 161 T HA 0.599 4.950 4.350 0.001 0.000 0.281 161 T C 1.393 176.084 174.700 -0.016 0.000 1.005 161 T CA 0.239 62.329 62.100 -0.018 0.000 0.982 161 T CB 1.704 70.572 68.868 -0.001 0.000 1.158 161 T HN 1.204 nan 8.240 nan 0.000 0.566 162 I N 0.941 121.533 120.570 0.035 0.000 2.546 162 I HA 0.184 4.354 4.170 0.001 0.000 0.255 162 I C 2.239 178.383 176.117 0.045 0.000 1.163 162 I CA 1.423 62.772 61.300 0.082 0.000 1.457 162 I CB -0.881 37.246 38.000 0.211 0.000 1.092 162 I HN 0.887 nan 8.210 nan 0.000 0.434 163 G N -0.477 108.340 108.800 0.029 0.000 2.421 163 G HA2 -0.182 3.779 3.960 0.001 0.000 0.217 163 G HA3 -0.182 3.779 3.960 0.001 0.000 0.217 163 G C 1.429 176.324 174.900 -0.009 0.000 1.143 163 G CA 0.632 45.739 45.100 0.012 0.000 0.784 163 G HN 0.345 nan 8.290 nan 0.000 0.541 164 D N 0.086 120.476 120.400 -0.017 0.000 2.178 164 D HA -0.071 4.570 4.640 0.001 0.000 0.202 164 D C 2.356 178.631 176.300 -0.041 0.000 0.974 164 D CA 0.517 54.499 54.000 -0.029 0.000 0.841 164 D CB 0.114 40.893 40.800 -0.035 0.000 0.953 164 D HN 0.233 nan 8.370 nan 0.000 0.478 165 L N 1.338 122.531 121.223 -0.050 0.000 2.109 165 L HA -0.050 4.290 4.340 0.001 0.000 0.207 165 L C 2.191 179.026 176.870 -0.058 0.000 1.086 165 L CA 1.414 56.215 54.840 -0.066 0.000 0.760 165 L CB -0.272 41.734 42.059 -0.088 0.000 0.910 165 L HN -0.185 nan 8.230 nan 0.000 0.437 166 R N -0.468 120.005 120.500 -0.044 0.000 2.115 166 R HA -0.135 4.206 4.340 0.001 0.000 0.230 166 R C 2.069 178.337 176.300 -0.053 0.000 1.111 166 R CA 1.556 57.625 56.100 -0.051 0.000 0.976 166 R CB -0.205 30.074 30.300 -0.035 0.000 0.870 166 R HN 0.534 nan 8.270 nan 0.000 0.445 167 E N -0.050 120.125 120.200 -0.041 0.000 2.107 167 E HA -0.117 4.234 4.350 0.001 0.000 0.191 167 E C 2.009 178.583 176.600 -0.043 0.000 0.982 167 E CA 1.025 57.404 56.400 -0.035 0.000 0.809 167 E CB 0.135 29.820 29.700 -0.025 0.000 0.756 167 E HN 0.076 nan 8.360 nan 0.000 0.459 168 V N 1.441 121.325 119.914 -0.049 0.000 2.307 168 V HA -0.241 3.880 4.120 0.001 0.000 0.245 168 V C 2.224 178.264 176.094 -0.090 0.000 1.045 168 V CA 1.460 63.733 62.300 -0.046 0.000 1.024 168 V CB -0.336 31.465 31.823 -0.037 0.000 0.651 168 V HN 0.263 nan 8.190 nan 0.000 0.449 169 I N 0.512 120.999 120.570 -0.139 0.000 2.286 169 I HA -0.234 3.936 4.170 0.001 0.000 0.248 169 I C 2.612 178.491 176.117 -0.396 0.000 1.115 169 I CA 1.512 62.643 61.300 -0.280 0.000 1.392 169 I CB -0.536 37.313 38.000 -0.251 0.000 1.065 169 I HN 0.294 nan 8.210 nan 0.000 0.418 170 A N 0.571 123.277 122.820 -0.190 0.000 1.929 170 A HA -0.036 4.285 4.320 0.001 0.000 0.216 170 A C 2.492 180.056 177.584 -0.033 0.000 1.176 170 A CA 1.539 53.528 52.037 -0.080 0.000 0.628 170 A CB -0.616 18.370 19.000 -0.023 0.000 0.816 170 A HN 0.415 nan 8.150 nan 0.000 0.444 171 A N -0.549 122.246 122.820 -0.041 0.000 2.014 171 A HA 0.138 4.458 4.320 0.001 0.000 0.218 171 A C 2.082 179.674 177.584 0.014 0.000 1.163 171 A CA 1.082 53.118 52.037 -0.003 0.000 0.652 171 A CB -0.414 18.586 19.000 0.001 0.000 0.808 171 A HN 0.452 nan 8.150 nan 0.000 0.449 172 L N -1.722 119.483 121.223 -0.030 0.000 2.072 172 L HA -0.132 4.208 4.340 0.001 0.000 0.205 172 L C 2.445 179.353 176.870 0.064 0.000 1.079 172 L CA 1.287 56.127 54.840 0.000 0.000 0.752 172 L CB -0.615 41.401 42.059 -0.072 0.000 0.906 172 L HN 0.530 nan 8.230 nan 0.000 0.436 173 H N -1.059 118.009 119.070 -0.003 0.000 2.423 173 H HA -0.167 4.390 4.556 0.001 0.000 0.297 173 H C 2.099 177.419 175.328 -0.013 0.000 1.075 173 H CA 0.865 56.900 56.048 -0.022 0.000 1.342 173 H CB 0.359 30.097 29.762 -0.040 0.000 1.395 173 H HN 0.283 nan 8.280 nan 0.000 0.530 174 E N 0.906 121.179 120.200 0.122 0.000 2.208 174 E HA -0.072 4.279 4.350 0.001 0.000 0.193 174 E C 1.865 178.501 176.600 0.059 0.000 0.988 174 E CA 0.622 57.062 56.400 0.067 0.000 0.828 174 E CB 0.098 29.826 29.700 0.047 0.000 0.763 174 E HN 0.448 nan 8.360 nan 0.000 0.478 175 A N -0.129 122.734 122.820 0.072 0.000 2.251 175 A HA 0.262 4.583 4.320 0.001 0.000 0.209 175 A C 1.466 179.096 177.584 0.077 0.000 1.187 175 A CA 0.883 52.964 52.037 0.073 0.000 0.823 175 A CB -0.133 18.921 19.000 0.089 0.000 0.846 175 A HN 0.320 nan 8.150 nan 0.000 0.486 176 G N -0.642 108.204 108.800 0.077 0.000 2.160 176 G HA2 -0.211 3.750 3.960 0.001 0.000 0.244 176 G HA3 -0.211 3.750 3.960 0.001 0.000 0.244 176 G C -0.076 174.879 174.900 0.092 0.000 1.022 176 G CA 0.387 45.527 45.100 0.068 0.000 0.741 176 G HN 0.500 nan 8.290 nan 0.000 0.508 177 I N 0.922 121.561 120.570 0.115 0.000 2.433 177 I HA 0.406 4.577 4.170 0.001 0.000 0.292 177 I C 0.459 176.660 176.117 0.139 0.000 1.001 177 I CA -0.762 60.610 61.300 0.120 0.000 1.119 177 I CB 2.001 40.061 38.000 0.101 0.000 1.289 177 I HN 0.050 nan 8.210 nan 0.000 0.438 178 S N 4.184 119.963 115.700 0.132 0.000 2.545 178 S HA 0.531 5.002 4.470 0.001 0.000 0.275 178 S C 0.139 174.725 174.600 -0.023 0.000 1.299 178 S CA -0.649 57.613 58.200 0.104 0.000 1.048 178 S CB 1.307 64.587 63.200 0.134 0.000 0.938 178 S HN 0.684 nan 8.310 nan 0.000 0.496 179 A N 3.336 126.138 122.820 -0.030 0.000 2.276 179 A HA 0.613 4.934 4.320 0.001 0.000 0.300 179 A C -0.518 177.002 177.584 -0.107 0.000 1.235 179 A CA -0.530 51.447 52.037 -0.099 0.000 0.867 179 A CB 0.153 19.072 19.000 -0.135 0.000 1.137 179 A HN 0.620 nan 8.150 nan 0.000 0.527 180 V N 4.082 123.912 119.914 -0.140 0.000 2.487 180 V HA 0.633 4.754 4.120 0.001 0.000 0.298 180 V C 0.070 176.232 176.094 0.112 0.000 1.028 180 V CA -0.383 61.847 62.300 -0.116 0.000 0.860 180 V CB 1.191 32.772 31.823 -0.404 0.000 0.991 180 V HN 1.100 nan 8.190 nan 0.000 0.427 181 V N 0.320 120.313 119.914 0.131 0.000 3.167 181 V HA 0.706 4.826 4.120 0.001 0.000 0.310 181 V C -0.782 175.446 176.094 0.224 0.000 1.207 181 V CA -0.917 61.530 62.300 0.245 0.000 1.059 181 V CB 2.356 34.304 31.823 0.209 0.000 1.079 181 V HN 0.673 nan 8.190 nan 0.000 0.446 182 D N 0.894 121.466 120.400 0.287 0.000 2.304 182 D HA 0.370 5.011 4.640 0.001 0.000 0.247 182 D C -1.433 175.031 176.300 0.273 0.000 1.089 182 D CA 0.251 54.402 54.000 0.251 0.000 0.910 182 D CB 1.870 42.811 40.800 0.235 0.000 1.199 182 D HN 0.582 nan 8.370 nan 0.000 0.426 183 F N 3.156 123.124 119.950 0.029 0.000 2.451 183 F HA 0.349 4.877 4.527 0.001 0.000 0.367 183 F C -0.372 175.484 175.800 0.094 0.000 1.100 183 F CA -0.917 57.047 58.000 -0.059 0.000 1.171 183 F CB 0.034 38.832 39.000 -0.336 0.000 1.405 183 F HN 0.172 nan 8.300 nan 0.000 0.482 184 I N 7.514 128.068 120.570 -0.027 0.000 2.357 184 I HA -0.004 4.167 4.170 0.001 0.000 0.300 184 I C 0.426 176.463 176.117 -0.133 0.000 1.159 184 I CA 0.100 61.400 61.300 0.001 0.000 1.339 184 I CB -0.239 37.798 38.000 0.060 0.000 1.458 184 I HN 0.542 nan 8.210 nan 0.000 0.577 185 F N 3.636 123.286 119.950 -0.500 0.000 2.724 185 F HA 0.241 4.769 4.527 0.001 0.000 0.306 185 F C 1.481 177.318 175.800 0.063 0.000 1.100 185 F CA -0.176 57.576 58.000 -0.413 0.000 1.255 185 F CB -0.752 37.761 39.000 -0.812 0.000 1.072 185 F HN 0.371 nan 8.300 nan 0.000 0.589 186 N N 0.343 118.847 118.700 -0.327 0.000 2.354 186 N HA -0.102 4.639 4.740 0.001 0.000 0.179 186 N C -0.300 175.391 175.510 0.303 0.000 1.021 186 N CA 0.888 53.921 53.050 -0.029 0.000 0.887 186 N CB 0.007 38.593 38.487 0.165 0.000 0.974 186 N HN 0.556 nan 8.380 nan 0.000 0.437 187 H N -1.901 117.292 119.070 0.204 0.000 3.037 187 H HA 0.348 4.905 4.556 0.001 0.000 0.355 187 H C -0.958 174.529 175.328 0.266 0.000 1.263 187 H CA -0.665 55.560 56.048 0.296 0.000 1.129 187 H CB 1.206 31.160 29.762 0.321 0.000 1.861 187 H HN -0.013 nan 8.280 nan 0.000 0.546 188 T N -1.940 112.826 114.554 0.353 0.000 2.864 188 T HA 0.447 4.798 4.350 0.001 0.000 0.289 188 T C 0.116 174.904 174.700 0.148 0.000 1.082 188 T CA -0.736 61.435 62.100 0.117 0.000 1.009 188 T CB 1.913 70.729 68.868 -0.087 0.000 1.234 188 T HN 0.664 nan 8.240 nan 0.000 0.526 189 S N 0.325 116.042 115.700 0.027 0.000 2.600 189 S HA 0.164 4.635 4.470 0.001 0.000 0.265 189 S C 1.399 175.816 174.600 -0.305 0.000 1.325 189 S CA -0.219 57.972 58.200 -0.015 0.000 1.002 189 S CB -0.011 63.175 63.200 -0.023 0.000 0.921 189 S HN 0.854 nan 8.310 nan 0.000 0.554 190 N N 1.681 120.088 118.700 -0.489 0.000 2.515 190 N HA -0.025 4.716 4.740 0.001 0.000 0.185 190 N C 0.597 175.714 175.510 -0.655 0.000 1.109 190 N CA 0.635 53.041 53.050 -1.074 0.000 0.903 190 N CB -0.293 37.620 38.487 -0.958 0.000 0.969 190 N HN 0.748 nan 8.380 nan 0.000 0.450 191 E N -0.814 119.172 120.200 -0.358 0.000 2.476 191 E HA 0.013 4.364 4.350 0.001 0.000 0.196 191 E C -0.528 175.932 176.600 -0.234 0.000 1.029 191 E CA -0.268 55.978 56.400 -0.256 0.000 0.896 191 E CB 0.074 29.660 29.700 -0.190 0.000 1.012 191 E HN 0.514 nan 8.360 nan 0.000 0.475 192 H N 0.987 119.856 119.070 -0.335 0.000 2.629 192 H HA 0.022 4.578 4.556 0.001 0.000 0.357 192 H C 1.352 176.502 175.328 -0.296 0.000 1.121 192 H CA 0.347 56.194 56.048 -0.335 0.000 1.406 192 H CB 0.951 30.499 29.762 -0.357 0.000 1.456 192 H HN -0.038 nan 8.280 nan 0.000 0.579 193 E N 3.197 123.196 120.200 -0.336 0.000 2.097 193 E HA -0.222 4.128 4.350 0.001 0.000 0.196 193 E C 1.026 177.565 176.600 -0.101 0.000 1.000 193 E CA 1.523 57.805 56.400 -0.197 0.000 0.804 193 E CB 0.019 29.586 29.700 -0.222 0.000 0.740 193 E HN 0.732 nan 8.360 nan 0.000 0.454 194 W N 0.128 121.333 121.300 -0.159 0.000 2.363 194 W HA -0.010 4.650 4.660 0.001 0.000 0.296 194 W C 2.393 178.901 176.519 -0.018 0.000 1.212 194 W CA 0.762 57.836 57.345 -0.452 0.000 1.260 194 W CB -1.288 28.127 29.460 -0.076 0.000 1.131 194 W HN 0.171 nan 8.180 nan 0.000 0.530 195 A N 0.447 123.393 122.820 0.211 0.000 1.873 195 A HA -0.226 4.094 4.320 0.001 0.000 0.215 195 A C 2.011 179.550 177.584 -0.074 0.000 1.186 195 A CA 1.795 53.732 52.037 -0.166 0.000 0.616 195 A CB -0.903 17.665 19.000 -0.720 0.000 0.823 195 A HN 0.377 nan 8.150 nan 0.000 0.442 196 Q N -0.693 119.033 119.800 -0.123 0.000 2.084 196 Q HA -0.151 4.190 4.340 0.001 0.000 0.202 196 Q C 2.331 178.346 176.000 0.024 0.000 0.978 196 Q CA 1.529 57.295 55.803 -0.062 0.000 0.844 196 Q CB -0.181 28.498 28.738 -0.099 0.000 0.898 196 Q HN 0.602 nan 8.270 nan 0.000 0.426 197 R N -0.212 120.289 120.500 0.002 0.000 2.090 197 R HA -0.074 4.266 4.340 0.001 0.000 0.228 197 R C 2.518 178.913 176.300 0.159 0.000 1.110 197 R CA 1.079 57.207 56.100 0.047 0.000 0.973 197 R CB -0.493 29.780 30.300 -0.045 0.000 0.869 197 R HN 0.303 nan 8.270 nan 0.000 0.440 198 C N 0.416 119.858 119.300 0.237 0.000 2.446 198 C HA 0.031 4.492 4.460 0.001 0.000 0.277 198 C C 2.835 177.986 174.990 0.268 0.000 1.275 198 C CA 1.036 60.256 59.018 0.337 0.000 1.727 198 C CB -0.781 27.304 27.740 0.575 0.000 2.010 198 C HN 0.563 nan 8.230 nan 0.000 0.486 199 A N -0.073 122.914 122.820 0.278 0.000 1.968 199 A HA 0.263 4.583 4.320 0.001 0.000 0.217 199 A C 2.324 179.998 177.584 0.149 0.000 1.169 199 A CA 1.679 53.854 52.037 0.229 0.000 0.638 199 A CB -0.853 18.352 19.000 0.341 0.000 0.812 199 A HN 0.809 nan 8.150 nan 0.000 0.446 200 A N -1.730 121.167 122.820 0.128 0.000 2.167 200 A HA 0.383 4.703 4.320 0.001 0.000 0.214 200 A C 1.788 179.422 177.584 0.083 0.000 1.151 200 A CA 1.362 53.452 52.037 0.089 0.000 0.735 200 A CB -0.757 18.284 19.000 0.068 0.000 0.802 200 A HN 1.844 nan 8.150 nan 0.000 0.467 201 G N -0.576 108.285 108.800 0.102 0.000 2.134 201 G HA2 -0.197 3.764 3.960 0.001 0.000 0.209 201 G HA3 -0.197 3.764 3.960 0.001 0.000 0.209 201 G C -0.199 174.749 174.900 0.081 0.000 0.993 201 G CA 0.171 45.323 45.100 0.087 0.000 0.669 201 G HN 0.539 nan 8.290 nan 0.000 0.519 202 D N 1.101 121.562 120.400 0.102 0.000 2.401 202 D HA 0.249 4.889 4.640 0.001 0.000 0.254 202 D C 0.077 176.418 176.300 0.069 0.000 1.192 202 D CA -1.206 52.851 54.000 0.095 0.000 0.885 202 D CB 1.364 42.257 40.800 0.154 0.000 1.147 202 D HN 0.208 nan 8.370 nan 0.000 0.478 203 P HA -0.154 nan 4.420 nan 0.000 0.225 203 P C 1.502 178.733 177.300 -0.115 0.000 1.148 203 P CA 0.259 63.343 63.100 -0.027 0.000 0.779 203 P CB 0.451 32.131 31.700 -0.034 0.000 0.780 204 L N -1.521 119.591 121.223 -0.185 0.000 2.240 204 L HA 0.133 4.473 4.340 0.001 0.000 0.211 204 L C 1.433 177.833 176.870 -0.784 0.000 1.106 204 L CA 1.494 56.055 54.840 -0.465 0.000 0.793 204 L CB -0.866 40.909 42.059 -0.474 0.000 0.927 204 L HN -0.232 nan 8.230 nan 0.000 0.446 205 F N -0.705 119.110 119.950 -0.225 0.000 2.850 205 F HA 0.266 4.793 4.527 0.001 0.000 0.306 205 F C 0.422 176.231 175.800 0.014 0.000 1.162 205 F CA -0.964 56.828 58.000 -0.347 0.000 1.327 205 F CB -0.106 38.648 39.000 -0.410 0.000 0.953 205 F HN -0.024 nan 8.300 nan 0.000 0.507 206 D N 0.221 120.702 120.400 0.134 0.000 2.389 206 D HA 0.072 4.713 4.640 0.001 0.000 0.247 206 D C 0.738 177.174 176.300 0.227 0.000 1.128 206 D CA 0.597 54.697 54.000 0.166 0.000 0.884 206 D CB 0.402 41.251 40.800 0.082 0.000 1.194 206 D HN 0.118 nan 8.370 nan 0.000 0.441 207 N N 2.214 121.016 118.700 0.169 0.000 2.725 207 N HA -0.248 4.493 4.740 0.001 0.000 0.249 207 N C -0.260 175.255 175.510 0.009 0.000 1.103 207 N CA 0.333 53.418 53.050 0.058 0.000 0.707 207 N CB -1.291 37.205 38.487 0.015 0.000 1.043 207 N HN 0.384 nan 8.380 nan 0.000 0.553 208 F N -1.018 118.895 119.950 -0.061 0.000 2.664 208 F HA 0.266 4.794 4.527 0.001 0.000 0.296 208 F C 0.525 175.954 175.800 -0.619 0.000 1.125 208 F CA 0.732 58.590 58.000 -0.236 0.000 1.444 208 F CB 0.171 39.162 39.000 -0.015 0.000 1.114 208 F HN 0.133 nan 8.300 nan 0.000 0.576 209 Y N -3.183 117.167 120.300 0.083 0.000 2.705 209 Y HA 0.387 4.937 4.550 0.001 0.000 0.332 209 Y C -1.191 174.579 175.900 -0.217 0.000 1.157 209 Y CA -1.762 56.342 58.100 0.008 0.000 1.091 209 Y CB 0.577 39.193 38.460 0.261 0.000 1.301 209 Y HN -0.333 nan 8.280 nan 0.000 0.488 210 Y N 1.907 122.322 120.300 0.192 0.000 2.700 210 Y HA 0.508 5.059 4.550 0.001 0.000 0.333 210 Y C -0.557 175.210 175.900 -0.223 0.000 1.036 210 Y CA -0.410 57.689 58.100 -0.002 0.000 1.287 210 Y CB 0.163 38.824 38.460 0.335 0.000 1.132 210 Y HN 0.161 nan 8.280 nan 0.000 0.510 211 I N 4.042 124.431 120.570 -0.301 0.000 2.377 211 I HA 0.398 4.569 4.170 0.001 0.000 0.293 211 I C -0.849 174.967 176.117 -0.502 0.000 0.987 211 I CA -0.643 60.489 61.300 -0.280 0.000 1.185 211 I CB 1.064 38.991 38.000 -0.122 0.000 1.341 211 I HN 0.270 nan 8.210 nan 0.000 0.455 212 F N 6.409 126.466 119.950 0.179 0.000 2.546 212 F HA 0.453 4.980 4.527 0.001 0.000 0.320 212 F C -1.532 174.354 175.800 0.143 0.000 1.076 212 F CA -1.951 56.138 58.000 0.148 0.000 0.928 212 F CB 1.110 40.171 39.000 0.102 0.000 1.189 212 F HN 0.297 nan 8.300 nan 0.000 0.465 213 P HA -0.041 nan 4.420 nan 0.000 0.220 213 P C -0.577 176.864 177.300 0.234 0.000 1.152 213 P CA 1.364 64.586 63.100 0.202 0.000 0.812 213 P CB 0.334 32.118 31.700 0.141 0.000 0.792 214 D N -2.866 117.658 120.400 0.206 0.000 3.158 214 D HA 0.240 4.881 4.640 0.001 0.000 0.314 214 D C 0.831 177.022 176.300 -0.180 0.000 1.308 214 D CA -0.707 53.365 54.000 0.121 0.000 1.001 214 D CB 0.066 40.888 40.800 0.038 0.000 1.389 214 D HN -0.410 nan 8.370 nan 0.000 0.595 215 R N -0.354 119.923 120.500 -0.371 0.000 2.310 215 R HA 0.223 4.564 4.340 0.001 0.000 0.202 215 R C 1.774 177.779 176.300 -0.492 0.000 0.933 215 R CA 0.089 55.802 56.100 -0.645 0.000 1.054 215 R CB -0.542 29.375 30.300 -0.637 0.000 0.985 215 R HN 0.485 nan 8.270 nan 0.000 0.489 216 R N 0.456 120.758 120.500 -0.331 0.000 2.082 216 R HA -0.083 4.257 4.340 0.001 0.000 0.234 216 R C 1.958 178.025 176.300 -0.389 0.000 1.136 216 R CA 1.789 57.717 56.100 -0.287 0.000 0.935 216 R CB -0.060 30.135 30.300 -0.176 0.000 0.842 216 R HN 0.092 nan 8.270 nan 0.000 0.430 217 M N -0.585 118.734 119.600 -0.467 0.000 2.156 217 M HA -0.038 4.443 4.480 0.001 0.000 0.264 217 M C -0.860 174.932 176.300 -0.848 0.000 1.067 217 M CA 1.304 56.211 55.300 -0.655 0.000 1.131 217 M CB -0.630 31.562 32.600 -0.680 0.000 1.368 217 M HN 0.094 nan 8.290 nan 0.000 0.416 218 P HA -0.149 nan 4.420 nan 0.000 0.216 218 P C 0.565 177.350 177.300 -0.858 0.000 1.150 218 P CA 1.303 63.456 63.100 -1.577 0.000 0.837 218 P CB -0.076 30.614 31.700 -1.682 0.000 0.786 219 D N -1.200 118.827 120.400 -0.622 0.000 2.144 219 D HA -0.127 4.513 4.640 0.001 0.000 0.200 219 D C 2.051 178.173 176.300 -0.298 0.000 0.978 219 D CA 1.066 54.829 54.000 -0.395 0.000 0.833 219 D CB -0.490 40.107 40.800 -0.339 0.000 0.961 219 D HN 0.290 nan 8.370 nan 0.000 0.470 220 Q N -0.826 118.763 119.800 -0.352 0.000 2.119 220 Q HA -0.132 4.208 4.340 0.001 0.000 0.201 220 Q C 1.811 177.664 176.000 -0.245 0.000 0.972 220 Q CA 0.841 56.459 55.803 -0.309 0.000 0.847 220 Q CB -0.043 28.462 28.738 -0.389 0.000 0.903 220 Q HN 0.390 nan 8.270 nan 0.000 0.433 221 Y N 1.034 121.181 120.300 -0.254 0.000 2.220 221 Y HA -0.143 4.407 4.550 0.001 0.000 0.291 221 Y C 1.825 177.682 175.900 -0.071 0.000 1.129 221 Y CA 0.939 58.959 58.100 -0.134 0.000 1.161 221 Y CB -0.053 38.299 38.460 -0.180 0.000 0.997 221 Y HN 0.075 nan 8.280 nan 0.000 0.522 222 D N -0.276 120.161 120.400 0.062 0.000 2.354 222 D HA -0.122 4.519 4.640 0.001 0.000 0.216 222 D C 1.927 178.226 176.300 -0.001 0.000 0.970 222 D CA 0.772 54.787 54.000 0.025 0.000 0.905 222 D CB -0.165 40.617 40.800 -0.031 0.000 0.903 222 D HN 0.343 nan 8.370 nan 0.000 0.508 223 R N -0.547 119.943 120.500 -0.016 0.000 2.148 223 R HA -0.043 4.298 4.340 0.001 0.000 0.227 223 R C 1.646 177.950 176.300 0.007 0.000 1.103 223 R CA 1.535 57.622 56.100 -0.021 0.000 0.983 223 R CB -0.038 30.237 30.300 -0.041 0.000 0.874 223 R HN 0.244 nan 8.270 nan 0.000 0.451 224 T N -2.812 111.766 114.554 0.041 0.000 3.043 224 T HA 0.309 4.659 4.350 0.001 0.000 0.272 224 T C 0.494 175.239 174.700 0.076 0.000 0.990 224 T CA -0.345 61.790 62.100 0.057 0.000 0.897 224 T CB 0.284 69.196 68.868 0.074 0.000 1.111 224 T HN -0.085 nan 8.240 nan 0.000 0.529 225 L N 2.352 123.621 121.223 0.076 0.000 2.305 225 L HA 0.498 4.838 4.340 0.001 0.000 0.281 225 L C 0.611 177.500 176.870 0.032 0.000 1.085 225 L CA -0.947 53.938 54.840 0.074 0.000 0.813 225 L CB 1.068 43.160 42.059 0.055 0.000 1.157 225 L HN 0.153 nan 8.230 nan 0.000 0.436 226 R N 2.589 123.113 120.500 0.041 0.000 2.441 226 R HA 0.197 4.537 4.340 0.001 0.000 0.284 226 R C -0.554 175.712 176.300 -0.055 0.000 1.070 226 R CA -0.460 55.647 56.100 0.010 0.000 1.047 226 R CB 0.742 31.070 30.300 0.047 0.000 1.016 226 R HN 0.557 nan 8.270 nan 0.000 0.477 227 E N 4.838 124.986 120.200 -0.086 0.000 2.130 227 E HA 0.085 4.436 4.350 0.001 0.000 0.284 227 E C 0.548 177.023 176.600 -0.208 0.000 1.018 227 E CA -0.529 55.776 56.400 -0.158 0.000 0.817 227 E CB 1.119 30.740 29.700 -0.132 0.000 1.078 227 E HN 0.521 nan 8.360 nan 0.000 0.396 228 I N 1.972 122.324 120.570 -0.362 0.000 2.429 228 I HA -0.046 4.125 4.170 0.001 0.000 0.247 228 I C 0.668 176.540 176.117 -0.407 0.000 1.099 228 I CA 0.983 61.991 61.300 -0.487 0.000 1.422 228 I CB -0.194 37.268 38.000 -0.897 0.000 1.112 228 I HN 0.421 nan 8.210 nan 0.000 0.430 229 F N 3.022 122.820 119.950 -0.253 0.000 2.449 229 F HA 0.386 4.914 4.527 0.001 0.000 0.344 229 F C -1.516 174.078 175.800 -0.343 0.000 1.180 229 F CA -3.277 54.561 58.000 -0.270 0.000 1.209 229 F CB -0.046 38.847 39.000 -0.178 0.000 1.440 229 F HN -0.049 nan 8.300 nan 0.000 0.526 230 P HA -0.117 nan 4.420 nan 0.000 0.225 230 P C 0.654 177.890 177.300 -0.106 0.000 1.148 230 P CA 1.163 64.174 63.100 -0.148 0.000 0.779 230 P CB 0.542 32.164 31.700 -0.130 0.000 0.780 231 D N -0.521 119.827 120.400 -0.086 0.000 2.224 231 D HA -0.096 4.545 4.640 0.001 0.000 0.205 231 D C 2.201 178.496 176.300 -0.008 0.000 0.965 231 D CA 0.942 54.917 54.000 -0.041 0.000 0.852 231 D CB -0.151 40.620 40.800 -0.048 0.000 0.947 231 D HN 0.182 nan 8.370 nan 0.000 0.494 232 Q N -0.029 119.753 119.800 -0.030 0.000 2.089 232 Q HA 0.017 4.358 4.340 0.001 0.000 0.195 232 Q C 0.437 176.502 176.000 0.109 0.000 0.963 232 Q CA 1.106 56.932 55.803 0.038 0.000 0.834 232 Q CB 0.050 28.825 28.738 0.062 0.000 0.906 232 Q HN 0.582 nan 8.270 nan 0.000 0.452 233 H N -2.972 116.140 119.070 0.070 0.000 3.068 233 H HA 0.467 5.024 4.556 0.001 0.000 0.342 233 H C -2.953 172.404 175.328 0.048 0.000 1.284 233 H CA -1.997 54.095 56.048 0.074 0.000 1.181 233 H CB 0.610 30.429 29.762 0.094 0.000 1.898 233 H HN -0.233 nan 8.280 nan 0.000 0.540 234 P HA 0.353 nan 4.420 nan 0.000 0.278 234 P C 0.810 178.219 177.300 0.182 0.000 1.238 234 P CA 1.162 64.323 63.100 0.103 0.000 0.794 234 P CB 1.250 32.997 31.700 0.078 0.000 0.955 235 G N 2.223 111.064 108.800 0.068 0.000 2.552 235 G HA2 -0.155 3.806 3.960 0.001 0.000 0.265 235 G HA3 -0.155 3.806 3.960 0.001 0.000 0.265 235 G C 0.480 175.408 174.900 0.048 0.000 1.234 235 G CA -0.017 45.116 45.100 0.055 0.000 0.944 235 G HN 0.816 nan 8.290 nan 0.000 0.568 236 G N -1.219 107.500 108.800 -0.134 0.000 3.993 236 G HA2 0.598 4.559 3.960 0.001 0.000 0.294 236 G HA3 0.598 4.559 3.960 0.001 0.000 0.294 236 G C -0.319 173.961 174.900 -1.034 0.000 1.043 236 G CA -0.038 44.778 45.100 -0.473 0.000 0.839 236 G HN 0.538 nan 8.290 nan 0.000 0.516 237 F N 0.127 119.931 119.950 -0.243 0.000 2.576 237 F HA 0.713 5.241 4.527 0.001 0.000 0.313 237 F C 0.174 175.926 175.800 -0.080 0.000 1.078 237 F CA -0.845 57.054 58.000 -0.168 0.000 0.921 237 F CB 2.567 41.520 39.000 -0.079 0.000 1.232 237 F HN -0.118 nan 8.300 nan 0.000 0.459 238 S N 0.711 116.491 115.700 0.133 0.000 2.570 238 S HA 0.433 4.904 4.470 0.001 0.000 0.286 238 S C -1.264 173.176 174.600 -0.267 0.000 1.099 238 S CA -0.847 57.322 58.200 -0.053 0.000 0.913 238 S CB 2.194 65.297 63.200 -0.161 0.000 1.085 238 S HN 0.630 nan 8.310 nan 0.000 0.480 239 Q N 1.805 121.183 119.800 -0.704 0.000 2.230 239 Q HA 0.599 4.940 4.340 0.001 0.000 0.253 239 Q C -1.077 174.656 176.000 -0.445 0.000 0.919 239 Q CA -0.588 54.590 55.803 -1.041 0.000 0.908 239 Q CB 0.670 28.513 28.738 -1.493 0.000 1.245 239 Q HN 0.598 nan 8.270 nan 0.000 0.437 240 L N 2.136 123.146 121.223 -0.356 0.000 2.448 240 L HA 0.261 4.601 4.340 0.001 0.000 0.258 240 L C 0.904 177.705 176.870 -0.115 0.000 1.104 240 L CA -0.523 54.241 54.840 -0.126 0.000 0.800 240 L CB 0.524 42.547 42.059 -0.060 0.000 1.241 240 L HN 0.759 nan 8.230 nan 0.000 0.472 241 E N 0.342 120.522 120.200 -0.032 0.000 2.268 241 E HA -0.195 4.156 4.350 0.001 0.000 0.195 241 E C 1.051 177.637 176.600 -0.024 0.000 0.995 241 E CA 1.136 57.521 56.400 -0.024 0.000 0.836 241 E CB -0.008 29.695 29.700 0.005 0.000 0.763 241 E HN 0.697 nan 8.360 nan 0.000 0.491 242 D N -1.797 118.592 120.400 -0.019 0.000 2.349 242 D HA 0.063 4.703 4.640 0.001 0.000 0.215 242 D C 1.309 177.601 176.300 -0.013 0.000 1.016 242 D CA 0.776 54.773 54.000 -0.005 0.000 0.870 242 D CB 0.287 41.096 40.800 0.016 0.000 0.917 242 D HN 0.170 nan 8.370 nan 0.000 0.524 243 G N -0.241 108.523 108.800 -0.061 0.000 2.218 243 G HA2 -0.257 3.703 3.960 0.001 0.000 0.216 243 G HA3 -0.257 3.703 3.960 0.001 0.000 0.216 243 G C 0.345 175.205 174.900 -0.066 0.000 0.994 243 G CA -0.257 44.810 45.100 -0.056 0.000 0.637 243 G HN 0.397 nan 8.290 nan 0.000 0.505 244 R N -0.850 119.610 120.500 -0.067 0.000 2.615 244 R HA 0.501 4.842 4.340 0.001 0.000 0.270 244 R C -0.571 175.641 176.300 -0.146 0.000 1.081 244 R CA -0.159 55.948 56.100 0.012 0.000 1.154 244 R CB 0.509 30.826 30.300 0.029 0.000 1.063 244 R HN 0.217 nan 8.270 nan 0.000 0.519 245 W N 0.835 122.166 121.300 0.052 0.000 2.573 245 W HA 0.501 5.162 4.660 0.001 0.000 0.326 245 W C -0.575 176.023 176.519 0.133 0.000 1.049 245 W CA -0.473 56.919 57.345 0.078 0.000 1.220 245 W CB 1.547 31.046 29.460 0.065 0.000 1.373 245 W HN 0.144 nan 8.180 nan 0.000 0.507 246 V N 3.963 124.008 119.914 0.219 0.000 2.823 246 V HA 0.479 4.599 4.120 0.001 0.000 0.312 246 V C -1.125 175.110 176.094 0.235 0.000 1.072 246 V CA -1.050 61.285 62.300 0.058 0.000 0.937 246 V CB 1.717 33.114 31.823 -0.711 0.000 1.013 246 V HN 0.599 nan 8.190 nan 0.000 0.430 247 W N 5.293 126.681 121.300 0.147 0.000 2.446 247 W HA 0.416 5.077 4.660 0.001 0.000 0.316 247 W C -0.089 176.329 176.519 -0.168 0.000 1.376 247 W CA 0.263 57.507 57.345 -0.168 0.000 1.300 247 W CB 0.823 30.224 29.460 -0.098 0.000 1.351 247 W HN 0.757 nan 8.180 nan 0.000 0.530 248 T N 1.670 116.211 114.554 -0.020 0.000 3.133 248 T HA 0.144 4.495 4.350 0.001 0.000 0.368 248 T C 0.702 175.369 174.700 -0.055 0.000 1.190 248 T CA -0.511 61.605 62.100 0.026 0.000 1.282 248 T CB 0.922 69.744 68.868 -0.077 0.000 1.042 248 T HN 0.245 nan 8.240 nan 0.000 0.536 249 T N 2.225 116.714 114.554 -0.109 0.000 2.833 249 T HA 0.092 4.443 4.350 0.001 0.000 0.269 249 T C 0.415 174.604 174.700 -0.853 0.000 1.054 249 T CA 1.414 63.178 62.100 -0.560 0.000 1.135 249 T CB -0.294 67.965 68.868 -1.016 0.000 0.869 249 T HN 0.565 nan 8.240 nan 0.000 0.466 250 F N 0.468 120.262 119.950 -0.261 0.000 2.812 250 F HA 0.383 4.910 4.527 0.001 0.000 0.156 250 F C 1.072 176.964 175.800 0.154 0.000 1.267 250 F CA -1.156 56.704 58.000 -0.234 0.000 0.923 250 F CB -0.427 38.370 39.000 -0.338 0.000 2.108 250 F HN -0.182 nan 8.300 nan 0.000 0.583 251 N N -0.581 118.304 118.700 0.308 0.000 2.424 251 N HA 0.119 4.860 4.740 0.001 0.000 0.257 251 N C 0.652 176.102 175.510 -0.099 0.000 1.250 251 N CA 0.147 53.163 53.050 -0.057 0.000 0.946 251 N CB 0.855 38.815 38.487 -0.878 0.000 1.175 251 N HN 0.203 nan 8.380 nan 0.000 0.477 252 S N -0.112 115.549 115.700 -0.064 0.000 2.419 252 S HA -0.136 4.334 4.470 0.001 0.000 0.233 252 S C 1.191 175.917 174.600 0.210 0.000 1.016 252 S CA 1.088 59.330 58.200 0.069 0.000 0.974 252 S CB -0.448 62.842 63.200 0.151 0.000 0.786 252 S HN 0.611 nan 8.310 nan 0.000 0.492 253 F N 0.888 120.988 119.950 0.249 0.000 2.797 253 F HA 0.400 4.928 4.527 0.001 0.000 0.302 253 F C 0.461 176.356 175.800 0.159 0.000 1.130 253 F CA -0.530 57.568 58.000 0.163 0.000 1.387 253 F CB -0.546 38.508 39.000 0.090 0.000 1.107 253 F HN -0.002 nan 8.300 nan 0.000 0.577 254 Q N 1.214 121.142 119.800 0.213 0.000 2.425 254 Q HA 0.175 4.516 4.340 0.001 0.000 0.254 254 Q C -1.488 174.807 176.000 0.491 0.000 1.032 254 Q CA -0.632 55.366 55.803 0.326 0.000 0.798 254 Q CB 0.778 29.657 28.738 0.235 0.000 1.210 254 Q HN 0.219 nan 8.270 nan 0.000 0.491 255 W N 1.955 123.397 121.300 0.236 0.000 2.338 255 W HA 0.224 4.885 4.660 0.001 0.000 0.307 255 W C -0.206 176.606 176.519 0.488 0.000 1.167 255 W CA -1.315 56.192 57.345 0.269 0.000 1.208 255 W CB 0.472 29.948 29.460 0.027 0.000 1.228 255 W HN 0.464 nan 8.180 nan 0.000 0.499 256 D N 2.544 123.334 120.400 0.651 0.000 2.417 256 D HA 0.140 4.780 4.640 0.001 0.000 0.250 256 D C 0.193 176.806 176.300 0.521 0.000 1.166 256 D CA 0.177 54.485 54.000 0.513 0.000 0.881 256 D CB 0.614 41.553 40.800 0.233 0.000 1.164 256 D HN 0.042 nan 8.370 nan 0.000 0.467 257 L N 2.826 124.233 121.223 0.307 0.000 2.426 257 L HA 0.088 4.429 4.340 0.001 0.000 0.271 257 L C 0.905 177.664 176.870 -0.186 0.000 1.169 257 L CA -0.174 54.603 54.840 -0.104 0.000 0.836 257 L CB 0.384 42.363 42.059 -0.132 0.000 1.112 257 L HN 0.334 nan 8.230 nan 0.000 0.465 258 N N 2.057 120.424 118.700 -0.555 0.000 2.602 258 N HA 0.061 4.801 4.740 0.001 0.000 0.238 258 N C 0.176 175.423 175.510 -0.438 0.000 1.084 258 N CA -0.003 52.638 53.050 -0.681 0.000 0.952 258 N CB 0.237 38.158 38.487 -0.944 0.000 1.244 258 N HN 0.368 nan 8.380 nan 0.000 0.512 259 Y N 0.435 120.715 120.300 -0.033 0.000 2.632 259 Y HA -0.084 4.466 4.550 0.001 0.000 0.301 259 Y C 2.245 178.369 175.900 0.373 0.000 1.172 259 Y CA 0.411 58.636 58.100 0.207 0.000 1.328 259 Y CB 0.109 38.794 38.460 0.377 0.000 1.016 259 Y HN 0.541 nan 8.280 nan 0.000 0.529 260 S N -1.120 114.692 115.700 0.186 0.000 2.527 260 S HA -0.036 4.435 4.470 0.001 0.000 0.222 260 S C 0.607 175.366 174.600 0.266 0.000 0.985 260 S CA -0.089 58.257 58.200 0.245 0.000 0.921 260 S CB -0.238 62.908 63.200 -0.090 0.000 0.772 260 S HN 0.281 nan 8.310 nan 0.000 0.529 261 N N 2.353 121.083 118.700 0.050 0.000 2.422 261 N HA 0.417 5.158 4.740 0.001 0.000 0.266 261 N C -2.357 173.014 175.510 -0.232 0.000 1.007 261 N CA -2.443 50.549 53.050 -0.097 0.000 0.941 261 N CB 1.716 40.088 38.487 -0.192 0.000 1.115 261 N HN -0.109 nan 8.380 nan 0.000 0.492 262 P HA -0.032 nan 4.420 nan 0.000 0.219 262 P C 0.550 177.503 177.300 -0.578 0.000 1.146 262 P CA 1.208 63.727 63.100 -0.969 0.000 0.808 262 P CB 0.027 30.986 31.700 -1.235 0.000 0.779 263 W N -1.299 119.850 121.300 -0.250 0.000 2.465 263 W HA -0.055 4.606 4.660 0.001 0.000 0.268 263 W C 1.914 178.227 176.519 -0.344 0.000 1.242 263 W CA 0.150 57.376 57.345 -0.200 0.000 1.248 263 W CB -0.995 28.399 29.460 -0.110 0.000 1.118 263 W HN -0.232 nan 8.180 nan 0.000 0.587 264 V N -0.233 119.419 119.914 -0.436 0.000 2.488 264 V HA -0.262 3.858 4.120 0.001 0.000 0.246 264 V C 1.826 177.798 176.094 -0.205 0.000 1.046 264 V CA 1.453 63.335 62.300 -0.697 0.000 1.053 264 V CB -0.923 30.304 31.823 -0.993 0.000 0.679 264 V HN 0.147 nan 8.190 nan 0.000 0.458 265 F N 1.106 121.006 119.950 -0.083 0.000 2.102 265 F HA -0.130 4.398 4.527 0.001 0.000 0.298 265 F C 2.631 178.524 175.800 0.155 0.000 1.105 265 F CA 1.795 59.894 58.000 0.164 0.000 1.239 265 F CB -0.282 38.784 39.000 0.110 0.000 0.991 265 F HN -0.096 nan 8.300 nan 0.000 0.474 266 R N 0.964 121.541 120.500 0.127 0.000 2.083 266 R HA -0.163 4.178 4.340 0.001 0.000 0.237 266 R C 2.323 178.697 176.300 0.123 0.000 1.137 266 R CA 1.552 57.727 56.100 0.125 0.000 0.951 266 R CB -1.182 29.243 30.300 0.207 0.000 0.851 266 R HN 0.418 nan 8.270 nan 0.000 0.434 267 A N 0.764 123.654 122.820 0.117 0.000 1.883 267 A HA -0.171 4.150 4.320 0.001 0.000 0.217 267 A C 2.188 179.923 177.584 0.251 0.000 1.186 267 A CA 1.740 53.849 52.037 0.120 0.000 0.624 267 A CB -0.354 18.581 19.000 -0.109 0.000 0.822 267 A HN 0.229 nan 8.150 nan 0.000 0.444 268 M N -0.713 119.043 119.600 0.260 0.000 2.349 268 M HA 0.066 4.547 4.480 0.001 0.000 0.266 268 M C 2.362 178.926 176.300 0.440 0.000 1.076 268 M CA 1.170 56.709 55.300 0.399 0.000 1.126 268 M CB -1.445 31.488 32.600 0.555 0.000 1.392 268 M HN 0.479 nan 8.290 nan 0.000 0.440 269 A N -0.060 122.925 122.820 0.274 0.000 2.014 269 A HA 0.126 4.447 4.320 0.001 0.000 0.218 269 A C 2.367 180.050 177.584 0.164 0.000 1.163 269 A CA 1.579 53.727 52.037 0.186 0.000 0.652 269 A CB -1.136 17.788 19.000 -0.128 0.000 0.808 269 A HN 0.490 nan 8.150 nan 0.000 0.449 270 G N -0.521 108.389 108.800 0.184 0.000 2.421 270 G HA2 -0.100 3.861 3.960 0.001 0.000 0.217 270 G HA3 -0.100 3.861 3.960 0.001 0.000 0.217 270 G C 1.315 176.340 174.900 0.208 0.000 1.143 270 G CA 0.753 45.969 45.100 0.193 0.000 0.784 270 G HN 0.439 nan 8.290 nan 0.000 0.541 271 E N -0.035 120.293 120.200 0.214 0.000 2.208 271 E HA -0.005 4.345 4.350 0.001 0.000 0.193 271 E C 2.257 178.967 176.600 0.184 0.000 0.988 271 E CA 0.331 56.836 56.400 0.175 0.000 0.828 271 E CB -0.274 29.415 29.700 -0.018 0.000 0.763 271 E HN 0.506 nan 8.360 nan 0.000 0.478 272 M N 0.162 119.796 119.600 0.058 0.000 2.200 272 M HA -0.075 4.406 4.480 0.001 0.000 0.265 272 M C 1.986 178.247 176.300 -0.065 0.000 1.066 272 M CA 1.031 56.160 55.300 -0.285 0.000 1.127 272 M CB 0.068 32.350 32.600 -0.529 0.000 1.379 272 M HN 0.048 nan 8.290 nan 0.000 0.420 273 L N -0.615 120.648 121.223 0.067 0.000 2.141 273 L HA -0.181 4.159 4.340 0.001 0.000 0.209 273 L C 2.324 179.271 176.870 0.129 0.000 1.094 273 L CA 0.922 55.827 54.840 0.108 0.000 0.763 273 L CB -0.638 41.512 42.059 0.151 0.000 0.908 273 L HN 0.324 nan 8.230 nan 0.000 0.437 274 F N 0.548 120.517 119.950 0.032 0.000 2.113 274 F HA -0.178 4.350 4.527 0.001 0.000 0.297 274 F C 2.123 177.945 175.800 0.037 0.000 1.103 274 F CA 1.468 59.492 58.000 0.040 0.000 1.248 274 F CB -0.161 38.865 39.000 0.044 0.000 0.999 274 F HN -0.143 nan 8.300 nan 0.000 0.475 275 L N -0.105 121.112 121.223 -0.010 0.000 2.141 275 L HA -0.156 4.185 4.340 0.001 0.000 0.209 275 L C 2.756 179.571 176.870 -0.091 0.000 1.094 275 L CA 1.022 55.815 54.840 -0.078 0.000 0.763 275 L CB -1.094 40.981 42.059 0.027 0.000 0.908 275 L HN 0.271 nan 8.230 nan 0.000 0.437 276 A N 0.150 122.935 122.820 -0.059 0.000 1.898 276 A HA -0.189 4.131 4.320 0.001 0.000 0.216 276 A C 1.902 179.461 177.584 -0.042 0.000 1.181 276 A CA 1.783 53.805 52.037 -0.026 0.000 0.620 276 A CB -0.479 18.529 19.000 0.013 0.000 0.819 276 A HN 0.396 nan 8.150 nan 0.000 0.442 277 N N -0.202 118.451 118.700 -0.079 0.000 2.515 277 N HA 0.071 4.812 4.740 0.001 0.000 0.185 277 N C 1.226 176.652 175.510 -0.140 0.000 1.109 277 N CA 0.441 53.435 53.050 -0.094 0.000 0.903 277 N CB -0.223 38.217 38.487 -0.078 0.000 0.969 277 N HN 0.506 nan 8.380 nan 0.000 0.450 278 L N -1.253 119.854 121.223 -0.193 0.000 2.418 278 L HA 0.136 4.476 4.340 0.001 0.000 0.218 278 L C 1.172 177.993 176.870 -0.083 0.000 1.125 278 L CA 0.613 55.346 54.840 -0.178 0.000 0.835 278 L CB -0.060 41.872 42.059 -0.211 0.000 0.953 278 L HN 0.264 nan 8.230 nan 0.000 0.454 279 G N -0.396 108.381 108.800 -0.038 0.000 2.159 279 G HA2 -0.203 3.758 3.960 0.001 0.000 0.170 279 G HA3 -0.203 3.758 3.960 0.001 0.000 0.170 279 G C 0.132 175.074 174.900 0.070 0.000 1.007 279 G CA -0.237 44.895 45.100 0.054 0.000 0.672 279 G HN 0.012 nan 8.290 nan 0.000 0.507 280 V N 1.011 120.934 119.914 0.015 0.000 2.599 280 V HA 0.224 4.345 4.120 0.001 0.000 0.300 280 V C 1.396 177.517 176.094 0.045 0.000 1.034 280 V CA 1.383 63.698 62.300 0.024 0.000 1.115 280 V CB 1.109 32.946 31.823 0.024 0.000 0.934 280 V HN 0.396 nan 8.190 nan 0.000 0.485 281 D N 3.463 123.892 120.400 0.049 0.000 2.201 281 D HA 0.236 4.877 4.640 0.001 0.000 0.209 281 D C 0.195 176.558 176.300 0.105 0.000 0.961 281 D CA 0.826 54.849 54.000 0.039 0.000 0.861 281 D CB 0.326 41.137 40.800 0.019 0.000 0.997 281 D HN 0.491 nan 8.370 nan 0.000 0.486 282 I N 1.047 121.667 120.570 0.083 0.000 2.533 282 I HA 0.277 4.448 4.170 0.001 0.000 0.290 282 I C -1.125 175.041 176.117 0.082 0.000 1.056 282 I CA -0.702 60.679 61.300 0.135 0.000 1.057 282 I CB 2.608 40.674 38.000 0.110 0.000 1.240 282 I HN -0.185 nan 8.210 nan 0.000 0.423 283 L N 5.694 127.008 121.223 0.150 0.000 2.296 283 L HA 0.507 4.848 4.340 0.001 0.000 0.286 283 L C 0.200 177.091 176.870 0.036 0.000 1.023 283 L CA -0.577 54.305 54.840 0.069 0.000 0.812 283 L CB 1.522 43.564 42.059 -0.028 0.000 1.223 283 L HN 0.528 nan 8.230 nan 0.000 0.421 284 R N 4.515 125.019 120.500 0.006 0.000 2.242 284 R HA 0.332 4.673 4.340 0.001 0.000 0.334 284 R C -0.580 175.746 176.300 0.043 0.000 1.071 284 R CA -0.304 55.795 56.100 -0.000 0.000 0.922 284 R CB 0.476 30.711 30.300 -0.108 0.000 1.023 284 R HN 0.601 nan 8.270 nan 0.000 0.458 285 M N 4.216 123.813 119.600 -0.005 0.000 2.664 285 M HA 0.109 4.590 4.480 0.001 0.000 0.332 285 M C -0.484 175.928 176.300 0.188 0.000 1.354 285 M CA -0.345 54.936 55.300 -0.032 0.000 1.399 285 M CB 0.483 32.926 32.600 -0.261 0.000 1.224 285 M HN 0.421 nan 8.290 nan 0.000 0.479 286 D N 2.314 122.877 120.400 0.271 0.000 2.255 286 D HA 0.425 5.066 4.640 0.001 0.000 0.249 286 D C 0.520 176.998 176.300 0.295 0.000 1.078 286 D CA 0.485 54.622 54.000 0.228 0.000 0.896 286 D CB 1.193 42.111 40.800 0.196 0.000 1.194 286 D HN 0.759 nan 8.370 nan 0.000 0.429 287 A N 2.443 125.415 122.820 0.255 0.000 2.869 287 A HA -0.181 4.140 4.320 0.001 0.000 0.280 287 A C 1.497 179.193 177.584 0.186 0.000 1.458 287 A CA 1.016 53.304 52.037 0.418 0.000 0.776 287 A CB -2.348 17.008 19.000 0.593 0.000 1.028 287 A HN 0.861 nan 8.150 nan 0.000 0.547 288 V N -3.354 116.581 119.914 0.035 0.000 2.626 288 V HA 0.047 4.168 4.120 0.001 0.000 0.252 288 V C 2.465 178.463 176.094 -0.159 0.000 1.067 288 V CA 2.313 64.589 62.300 -0.040 0.000 1.081 288 V CB -1.407 30.277 31.823 -0.231 0.000 0.686 288 V HN 1.768 nan 8.190 nan 0.000 0.468 289 A N 0.212 122.834 122.820 -0.330 0.000 2.015 289 A HA 0.077 4.397 4.320 0.001 0.000 0.219 289 A C 1.780 179.075 177.584 -0.482 0.000 1.163 289 A CA 1.536 53.316 52.037 -0.427 0.000 0.646 289 A CB -0.702 17.849 19.000 -0.747 0.000 0.806 289 A HN 0.607 nan 8.150 nan 0.000 0.448 290 F N -0.096 119.827 119.950 -0.044 0.000 2.727 290 F HA 0.198 4.726 4.527 0.001 0.000 0.302 290 F C 1.634 177.358 175.800 -0.126 0.000 1.097 290 F CA -0.018 57.924 58.000 -0.097 0.000 1.330 290 F CB -0.345 38.585 39.000 -0.118 0.000 1.084 290 F HN 0.292 nan 8.300 nan 0.000 0.578 291 I N -2.842 117.738 120.570 0.016 0.000 3.334 291 I HA -0.075 4.096 4.170 0.001 0.000 0.282 291 I C 0.272 176.509 176.117 0.200 0.000 1.313 291 I CA 0.696 61.993 61.300 -0.006 0.000 1.396 291 I CB -0.037 37.766 38.000 -0.328 0.000 1.054 291 I HN 0.169 nan 8.210 nan 0.000 0.495 292 W N 2.836 124.094 121.300 -0.071 0.000 2.957 292 W HA 0.424 5.084 4.660 0.001 0.000 0.336 292 W C -1.241 175.205 176.519 -0.122 0.000 1.087 292 W CA -0.830 56.488 57.345 -0.045 0.000 1.235 292 W CB 2.012 31.455 29.460 -0.029 0.000 1.399 292 W HN -0.179 nan 8.180 nan 0.000 0.480 293 K N 3.872 123.888 120.400 -0.641 0.000 2.259 293 K HA 0.514 4.834 4.320 0.001 0.000 0.249 293 K C -0.953 175.484 176.600 -0.271 0.000 0.942 293 K CA -1.046 54.930 56.287 -0.518 0.000 0.816 293 K CB 2.428 34.308 32.500 -1.033 0.000 1.155 293 K HN 0.423 nan 8.250 nan 0.000 0.428 294 Q N 1.583 121.436 119.800 0.089 0.000 2.327 294 Q HA 0.303 4.643 4.340 0.001 0.000 0.265 294 Q C -1.528 174.676 176.000 0.338 0.000 0.993 294 Q CA -0.494 55.449 55.803 0.233 0.000 0.885 294 Q CB 1.593 30.480 28.738 0.247 0.000 1.379 294 Q HN 0.591 nan 8.270 nan 0.000 0.408 295 M N 3.359 123.151 119.600 0.319 0.000 2.252 295 M HA 0.408 4.889 4.480 0.001 0.000 0.348 295 M C 1.142 177.496 176.300 0.089 0.000 1.334 295 M CA 2.371 57.748 55.300 0.127 0.000 1.071 295 M CB -0.032 32.500 32.600 -0.114 0.000 1.763 295 M HN 0.985 nan 8.290 nan 0.000 0.452 296 G N 2.254 111.097 108.800 0.072 0.000 2.217 296 G HA2 -0.236 3.724 3.960 0.001 0.000 0.246 296 G HA3 -0.236 3.724 3.960 0.001 0.000 0.246 296 G C 0.246 175.193 174.900 0.079 0.000 0.990 296 G CA 0.490 45.620 45.100 0.050 0.000 0.627 296 G HN 1.146 nan 8.290 nan 0.000 0.522 297 T N -1.731 112.898 114.554 0.125 0.000 2.948 297 T HA 0.668 5.019 4.350 0.001 0.000 0.285 297 T C 1.630 176.413 174.700 0.138 0.000 1.019 297 T CA 0.874 63.044 62.100 0.117 0.000 1.013 297 T CB 1.539 70.482 68.868 0.126 0.000 1.117 297 T HN 1.109 nan 8.240 nan 0.000 0.533 298 S N -1.041 114.723 115.700 0.107 0.000 2.555 298 S HA 0.009 4.479 4.470 0.001 0.000 0.230 298 S C 1.271 175.952 174.600 0.136 0.000 0.978 298 S CA 0.164 58.429 58.200 0.109 0.000 0.934 298 S CB -1.567 61.674 63.200 0.069 0.000 0.766 298 S HN 1.093 nan 8.310 nan 0.000 0.533 299 C N 1.261 120.644 119.300 0.138 0.000 4.356 299 C HA -0.117 4.344 4.460 0.001 0.000 0.296 299 C C 0.144 175.164 174.990 0.049 0.000 1.424 299 C CA 0.531 59.614 59.018 0.108 0.000 2.000 299 C CB -2.799 25.020 27.740 0.133 0.000 1.262 299 C HN 0.741 nan 8.230 nan 0.000 0.789 300 E N -0.038 120.169 120.200 0.011 0.000 2.293 300 E HA 0.374 4.724 4.350 0.001 0.000 0.270 300 E C 0.156 176.738 176.600 -0.030 0.000 0.879 300 E CA -0.795 55.533 56.400 -0.120 0.000 0.756 300 E CB 1.016 30.616 29.700 -0.167 0.000 1.208 300 E HN 0.336 nan 8.360 nan 0.000 0.428 301 N N 1.292 119.978 118.700 -0.023 0.000 2.708 301 N HA -0.218 4.523 4.740 0.001 0.000 0.249 301 N C -0.391 175.175 175.510 0.093 0.000 1.097 301 N CA 0.780 53.873 53.050 0.072 0.000 0.710 301 N CB -1.429 37.136 38.487 0.130 0.000 1.032 301 N HN 0.493 nan 8.380 nan 0.000 0.551 302 L N 0.269 121.542 121.223 0.082 0.000 2.439 302 L HA 0.086 4.427 4.340 0.001 0.000 0.269 302 L C -0.586 176.323 176.870 0.065 0.000 1.179 302 L CA -1.366 53.534 54.840 0.100 0.000 0.828 302 L CB 0.285 42.469 42.059 0.209 0.000 1.106 302 L HN -0.178 nan 8.230 nan 0.000 0.467 303 P HA -0.235 nan 4.420 nan 0.000 0.216 303 P C 1.009 178.205 177.300 -0.173 0.000 1.154 303 P CA 1.357 64.419 63.100 -0.062 0.000 0.865 303 P CB 0.195 31.820 31.700 -0.126 0.000 0.789 304 Q N -1.216 118.328 119.800 -0.427 0.000 2.291 304 Q HA -0.018 4.323 4.340 0.001 0.000 0.205 304 Q C 2.137 177.875 176.000 -0.437 0.000 0.970 304 Q CA 1.440 56.814 55.803 -0.715 0.000 0.876 304 Q CB -0.899 26.822 28.738 -1.694 0.000 0.935 304 Q HN 0.212 nan 8.270 nan 0.000 0.455 305 A N 0.300 123.002 122.820 -0.196 0.000 1.898 305 A HA -0.196 4.124 4.320 0.001 0.000 0.216 305 A C 1.673 179.228 177.584 -0.049 0.000 1.181 305 A CA 1.289 53.295 52.037 -0.052 0.000 0.620 305 A CB -0.582 18.405 19.000 -0.022 0.000 0.819 305 A HN 0.389 nan 8.150 nan 0.000 0.442 306 H N -0.524 118.524 119.070 -0.037 0.000 2.389 306 H HA -0.006 4.551 4.556 0.001 0.000 0.299 306 H C 2.510 177.812 175.328 -0.043 0.000 1.081 306 H CA 1.374 57.395 56.048 -0.045 0.000 1.345 306 H CB -0.278 29.378 29.762 -0.177 0.000 1.393 306 H HN 0.537 nan 8.280 nan 0.000 0.520 307 A N 0.975 123.787 122.820 -0.013 0.000 1.969 307 A HA -0.064 4.257 4.320 0.001 0.000 0.218 307 A C 2.597 180.114 177.584 -0.113 0.000 1.169 307 A CA 0.716 52.686 52.037 -0.111 0.000 0.635 307 A CB -0.656 18.201 19.000 -0.238 0.000 0.810 307 A HN 0.239 nan 8.150 nan 0.000 0.445 308 L N -0.284 120.887 121.223 -0.086 0.000 2.156 308 L HA -0.103 4.238 4.340 0.001 0.000 0.208 308 L C 2.174 179.208 176.870 0.273 0.000 1.095 308 L CA 0.442 55.273 54.840 -0.015 0.000 0.770 308 L CB -0.283 41.796 42.059 0.034 0.000 0.914 308 L HN 0.299 nan 8.230 nan 0.000 0.439 309 I N -0.264 120.507 120.570 0.335 0.000 2.315 309 I HA -0.204 3.966 4.170 0.001 0.000 0.248 309 I C 2.543 178.906 176.117 0.409 0.000 1.117 309 I CA 1.378 62.951 61.300 0.455 0.000 1.404 309 I CB -1.077 37.131 38.000 0.345 0.000 1.071 309 I HN 0.280 nan 8.210 nan 0.000 0.419 310 R N 0.729 121.368 120.500 0.233 0.000 2.148 310 R HA -0.032 4.309 4.340 0.001 0.000 0.227 310 R C 2.286 178.663 176.300 0.128 0.000 1.103 310 R CA 1.235 57.423 56.100 0.146 0.000 0.983 310 R CB -0.182 30.145 30.300 0.045 0.000 0.874 310 R HN 0.340 nan 8.270 nan 0.000 0.451 311 A N 0.482 123.368 122.820 0.110 0.000 1.898 311 A HA -0.082 4.239 4.320 0.001 0.000 0.214 311 A C 1.730 179.512 177.584 0.329 0.000 1.183 311 A CA 0.817 52.893 52.037 0.065 0.000 0.622 311 A CB -0.397 18.456 19.000 -0.246 0.000 0.824 311 A HN 0.139 nan 8.150 nan 0.000 0.444 312 F N 0.864 121.097 119.950 0.471 0.000 2.171 312 F HA -0.151 4.376 4.527 0.001 0.000 0.300 312 F C 2.354 178.379 175.800 0.374 0.000 1.090 312 F CA 1.297 59.538 58.000 0.401 0.000 1.293 312 F CB -0.412 38.739 39.000 0.251 0.000 1.013 312 F HN 0.328 nan 8.300 nan 0.000 0.486 313 N N 0.771 119.796 118.700 0.541 0.000 2.120 313 N HA -0.172 4.569 4.740 0.001 0.000 0.188 313 N C 1.947 177.446 175.510 -0.019 0.000 1.024 313 N CA 1.427 54.545 53.050 0.113 0.000 0.852 313 N CB -0.206 38.303 38.487 0.038 0.000 1.003 313 N HN 0.259 nan 8.380 nan 0.000 0.424 314 A N 0.636 123.489 122.820 0.055 0.000 1.969 314 A HA -0.036 4.285 4.320 0.001 0.000 0.218 314 A C 2.513 180.119 177.584 0.036 0.000 1.169 314 A CA 1.227 53.266 52.037 0.003 0.000 0.635 314 A CB -0.638 18.378 19.000 0.027 0.000 0.810 314 A HN 0.187 nan 8.150 nan 0.000 0.445 315 V N -0.140 119.862 119.914 0.146 0.000 2.490 315 V HA -0.259 3.862 4.120 0.001 0.000 0.250 315 V C 2.594 178.755 176.094 0.111 0.000 1.061 315 V CA 1.842 64.249 62.300 0.179 0.000 1.064 315 V CB -0.648 31.333 31.823 0.264 0.000 0.670 315 V HN 0.503 nan 8.190 nan 0.000 0.461 316 M N -0.756 118.878 119.600 0.057 0.000 2.236 316 M HA 0.006 4.486 4.480 0.001 0.000 0.266 316 M C 2.250 178.486 176.300 -0.107 0.000 1.070 316 M CA 1.312 56.600 55.300 -0.021 0.000 1.137 316 M CB -0.984 31.547 32.600 -0.116 0.000 1.378 316 M HN 0.249 nan 8.290 nan 0.000 0.426 317 R N 0.178 120.542 120.500 -0.226 0.000 2.189 317 R HA 0.051 4.392 4.340 0.001 0.000 0.223 317 R C 1.943 178.050 176.300 -0.321 0.000 1.092 317 R CA 0.986 56.827 56.100 -0.432 0.000 0.989 317 R CB -0.587 29.158 30.300 -0.925 0.000 0.876 317 R HN 0.435 nan 8.270 nan 0.000 0.457 318 I N -0.638 119.831 120.570 -0.169 0.000 2.512 318 I HA -0.013 4.158 4.170 0.001 0.000 0.247 318 I C 1.956 178.018 176.117 -0.091 0.000 1.094 318 I CA 0.901 62.102 61.300 -0.165 0.000 1.427 318 I CB -0.102 37.815 38.000 -0.139 0.000 1.149 318 I HN -0.026 nan 8.210 nan 0.000 0.438 319 A N 0.161 123.039 122.820 0.097 0.000 2.303 319 A HA 0.686 5.007 4.320 0.001 0.000 0.217 319 A C 0.998 178.763 177.584 0.302 0.000 1.205 319 A CA 0.610 52.810 52.037 0.273 0.000 0.875 319 A CB 0.163 19.389 19.000 0.376 0.000 0.910 319 A HN 0.319 nan 8.150 nan 0.000 0.501 320 A N -0.429 122.487 122.820 0.161 0.000 3.208 320 A HA 0.551 4.872 4.320 0.001 0.000 0.252 320 A C -2.179 175.444 177.584 0.064 0.000 1.225 320 A CA -0.365 51.762 52.037 0.150 0.000 0.980 320 A CB -0.085 18.987 19.000 0.119 0.000 1.414 320 A HN 0.014 nan 8.150 nan 0.000 0.721 321 P HA -0.205 nan 4.420 nan 0.000 0.219 321 P C 1.687 179.041 177.300 0.092 0.000 1.144 321 P CA 2.018 65.128 63.100 0.017 0.000 0.806 321 P CB 0.318 32.021 31.700 0.005 0.000 0.771 322 A N -1.124 121.721 122.820 0.041 0.000 2.066 322 A HA -0.016 4.305 4.320 0.001 0.000 0.218 322 A C 1.008 178.625 177.584 0.055 0.000 1.157 322 A CA 0.585 52.597 52.037 -0.042 0.000 0.670 322 A CB -0.876 18.048 19.000 -0.127 0.000 0.804 322 A HN 0.031 nan 8.150 nan 0.000 0.453 323 V N 2.016 121.999 119.914 0.116 0.000 2.397 323 V HA 0.217 4.338 4.120 0.001 0.000 0.262 323 V C -0.336 175.884 176.094 0.210 0.000 1.047 323 V CA -0.009 62.376 62.300 0.141 0.000 1.003 323 V CB -0.723 31.139 31.823 0.064 0.000 1.037 323 V HN 0.282 nan 8.190 nan 0.000 0.480 324 F N 4.416 124.344 119.950 -0.037 0.000 2.450 324 F HA 0.716 5.244 4.527 0.001 0.000 0.328 324 F C 0.030 175.849 175.800 0.032 0.000 1.068 324 F CA -1.436 56.509 58.000 -0.092 0.000 1.007 324 F CB 1.320 40.398 39.000 0.130 0.000 1.251 324 F HN 0.230 nan 8.300 nan 0.000 0.492 325 F N 0.580 120.588 119.950 0.097 0.000 2.492 325 F HA 0.468 4.996 4.527 0.001 0.000 0.327 325 F C -0.103 175.715 175.800 0.030 0.000 1.079 325 F CA -1.728 56.281 58.000 0.014 0.000 0.967 325 F CB 1.652 40.623 39.000 -0.047 0.000 1.169 325 F HN 0.175 nan 8.300 nan 0.000 0.472 326 K N 1.487 122.020 120.400 0.223 0.000 2.483 326 K HA 0.426 4.747 4.320 0.001 0.000 0.256 326 K C -0.588 176.088 176.600 0.127 0.000 0.961 326 K CA -0.236 56.121 56.287 0.118 0.000 0.873 326 K CB 1.323 33.845 32.500 0.037 0.000 1.107 326 K HN 0.632 nan 8.250 nan 0.000 0.432 327 S N 3.173 118.960 115.700 0.145 0.000 2.523 327 S HA 0.080 4.551 4.470 0.001 0.000 0.275 327 S C -0.620 174.117 174.600 0.227 0.000 1.281 327 S CA -0.366 57.911 58.200 0.129 0.000 1.050 327 S CB 0.874 64.145 63.200 0.119 0.000 0.937 327 S HN 0.650 nan 8.310 nan 0.000 0.492 328 Q N 3.856 123.732 119.800 0.127 0.000 2.454 328 Q HA 0.635 4.975 4.340 0.001 0.000 0.255 328 Q C -1.099 174.881 176.000 -0.033 0.000 1.034 328 Q CA -0.418 55.428 55.803 0.071 0.000 0.736 328 Q CB 0.983 29.697 28.738 -0.039 0.000 1.210 328 Q HN 0.677 nan 8.270 nan 0.000 0.500 329 A N 5.456 128.263 122.820 -0.021 0.000 2.483 329 A HA 0.498 4.819 4.320 0.001 0.000 0.308 329 A C -0.847 176.763 177.584 0.042 0.000 1.291 329 A CA -0.615 51.375 52.037 -0.079 0.000 0.774 329 A CB 0.460 19.327 19.000 -0.222 0.000 1.134 329 A HN 0.687 nan 8.150 nan 0.000 0.471 330 I N 4.588 125.179 120.570 0.034 0.000 2.191 330 I HA 0.218 4.388 4.170 0.001 0.000 0.289 330 I C 0.394 176.545 176.117 0.056 0.000 1.141 330 I CA 0.262 61.591 61.300 0.049 0.000 1.430 330 I CB -0.995 37.017 38.000 0.021 0.000 1.497 330 I HN 0.439 nan 8.210 nan 0.000 0.636 331 V N 0.510 120.472 119.914 0.080 0.000 3.105 331 V HA 0.513 4.633 4.120 0.001 0.000 0.311 331 V C 0.439 176.614 176.094 0.134 0.000 1.282 331 V CA -1.075 61.284 62.300 0.099 0.000 1.065 331 V CB 1.787 33.672 31.823 0.104 0.000 1.136 331 V HN 0.451 nan 8.190 nan 0.000 0.469 332 H N 1.473 120.583 119.070 0.068 0.000 3.001 332 H HA 0.170 4.726 4.556 0.001 0.000 0.334 332 H C -1.964 173.430 175.328 0.111 0.000 1.034 332 H CA -0.475 55.615 56.048 0.071 0.000 1.420 332 H CB 1.797 31.593 29.762 0.056 0.000 1.405 332 H HN 0.394 nan 8.280 nan 0.000 0.593 333 P HA -0.183 nan 4.420 nan 0.000 0.217 333 P C 0.957 178.415 177.300 0.263 0.000 1.151 333 P CA 1.483 64.663 63.100 0.134 0.000 0.849 333 P CB 0.336 32.055 31.700 0.031 0.000 0.787 334 D N -1.522 119.118 120.400 0.399 0.000 2.178 334 D HA -0.136 4.505 4.640 0.001 0.000 0.201 334 D C 1.947 178.357 176.300 0.183 0.000 0.980 334 D CA 1.028 55.186 54.000 0.263 0.000 0.842 334 D CB -0.272 40.652 40.800 0.206 0.000 0.948 334 D HN 0.247 nan 8.370 nan 0.000 0.472 335 Q N -0.117 119.823 119.800 0.234 0.000 2.339 335 Q HA 0.055 4.396 4.340 0.001 0.000 0.205 335 Q C 2.471 178.662 176.000 0.319 0.000 0.925 335 Q CA 0.156 56.084 55.803 0.208 0.000 0.898 335 Q CB -0.208 28.659 28.738 0.216 0.000 1.013 335 Q HN 0.207 nan 8.270 nan 0.000 0.504 336 V N 0.716 120.838 119.914 0.347 0.000 2.295 336 V HA -0.174 3.947 4.120 0.001 0.000 0.246 336 V C 2.313 178.652 176.094 0.408 0.000 1.049 336 V CA 1.625 64.179 62.300 0.424 0.000 1.024 336 V CB -0.705 31.352 31.823 0.390 0.000 0.648 336 V HN 0.153 nan 8.190 nan 0.000 0.447 337 V N -0.395 119.696 119.914 0.294 0.000 2.759 337 V HA -0.258 3.862 4.120 0.001 0.000 0.256 337 V C 2.344 178.454 176.094 0.028 0.000 1.080 337 V CA 1.923 64.298 62.300 0.124 0.000 1.101 337 V CB -0.323 31.575 31.823 0.125 0.000 0.698 337 V HN 0.652 nan 8.190 nan 0.000 0.477 338 Q N -1.485 118.326 119.800 0.018 0.000 2.369 338 Q HA -0.135 4.205 4.340 0.001 0.000 0.206 338 Q C 1.674 177.591 176.000 -0.139 0.000 0.963 338 Q CA 1.434 57.145 55.803 -0.154 0.000 0.894 338 Q CB -0.052 28.496 28.738 -0.317 0.000 0.965 338 Q HN 0.801 nan 8.270 nan 0.000 0.475 339 Y N -0.125 120.278 120.300 0.171 0.000 2.517 339 Y HA 0.101 4.652 4.550 0.001 0.000 0.281 339 Y C 0.683 176.627 175.900 0.072 0.000 1.125 339 Y CA 0.098 58.305 58.100 0.179 0.000 1.283 339 Y CB 0.522 39.069 38.460 0.144 0.000 1.042 339 Y HN -0.017 nan 8.280 nan 0.000 0.547 340 I N 0.804 121.434 120.570 0.101 0.000 2.312 340 I HA 0.505 4.676 4.170 0.001 0.000 0.291 340 I C 0.547 176.615 176.117 -0.081 0.000 1.031 340 I CA -0.091 61.186 61.300 -0.038 0.000 1.293 340 I CB 0.514 38.384 38.000 -0.217 0.000 1.403 340 I HN 0.103 nan 8.210 nan 0.000 0.484 341 G N 4.000 112.762 108.800 -0.064 0.000 2.616 341 G HA2 0.135 4.096 3.960 0.001 0.000 0.294 341 G HA3 0.135 4.096 3.960 0.001 0.000 0.294 341 G C -0.313 174.537 174.900 -0.085 0.000 1.489 341 G CA -0.492 44.561 45.100 -0.077 0.000 0.836 341 G HN 0.551 nan 8.290 nan 0.000 0.527 342 Q N -0.477 119.272 119.800 -0.085 0.000 2.181 342 Q HA -0.122 4.219 4.340 0.001 0.000 0.205 342 Q C 0.879 176.784 176.000 -0.158 0.000 0.980 342 Q CA 1.895 57.627 55.803 -0.118 0.000 0.862 342 Q CB 0.120 28.838 28.738 -0.033 0.000 0.905 342 Q HN 0.515 nan 8.270 nan 0.000 0.429 343 D N -0.478 119.866 120.400 -0.093 0.000 2.328 343 D HA 0.041 4.682 4.640 0.001 0.000 0.221 343 D C 0.506 176.790 176.300 -0.027 0.000 1.072 343 D CA 0.265 54.220 54.000 -0.075 0.000 0.850 343 D CB 0.530 41.303 40.800 -0.045 0.000 0.922 343 D HN 0.396 nan 8.370 nan 0.000 0.516 344 E N -1.044 119.153 120.200 -0.005 0.000 3.722 344 E HA 0.210 4.561 4.350 0.001 0.000 0.276 344 E C -0.566 176.137 176.600 0.172 0.000 0.942 344 E CA -0.343 56.126 56.400 0.115 0.000 1.088 344 E CB 0.981 30.754 29.700 0.122 0.000 2.828 344 E HN -0.087 nan 8.360 nan 0.000 0.539 345 C N 2.255 121.657 119.300 0.169 0.000 2.271 345 C HA 0.301 4.762 4.460 0.001 0.000 0.323 345 C C 0.862 175.868 174.990 0.025 0.000 1.245 345 C CA -0.541 58.590 59.018 0.188 0.000 1.548 345 C CB 0.537 28.415 27.740 0.229 0.000 2.214 345 C HN 0.607 nan 8.230 nan 0.000 0.477 346 Q N 2.038 121.790 119.800 -0.080 0.000 2.170 346 Q HA -0.010 4.331 4.340 0.001 0.000 0.203 346 Q C 0.613 176.572 176.000 -0.069 0.000 0.976 346 Q CA 1.241 56.959 55.803 -0.141 0.000 0.858 346 Q CB -0.029 28.518 28.738 -0.319 0.000 0.907 346 Q HN 0.901 nan 8.270 nan 0.000 0.433 347 I N -4.492 116.074 120.570 -0.007 0.000 3.002 347 I HA 0.873 5.044 4.170 0.001 0.000 0.310 347 I C -0.146 175.978 176.117 0.011 0.000 1.087 347 I CA -1.410 59.871 61.300 -0.032 0.000 1.017 347 I CB 2.371 40.349 38.000 -0.036 0.000 1.226 347 I HN -0.092 nan 8.210 nan 0.000 0.443 348 G N 1.572 110.385 108.800 0.022 0.000 2.732 348 G HA2 0.497 4.457 3.960 0.001 0.000 0.296 348 G HA3 0.497 4.457 3.960 0.001 0.000 0.296 348 G C -1.834 173.224 174.900 0.264 0.000 1.448 348 G CA -0.657 44.526 45.100 0.139 0.000 0.911 348 G HN 0.552 nan 8.290 nan 0.000 0.528 349 Y N 0.638 121.060 120.300 0.203 0.000 2.550 349 Y HA 0.181 4.732 4.550 0.001 0.000 0.343 349 Y C 1.084 177.218 175.900 0.390 0.000 1.245 349 Y CA 0.547 58.763 58.100 0.193 0.000 1.462 349 Y CB 0.915 39.368 38.460 -0.011 0.000 1.340 349 Y HN 0.451 nan 8.280 nan 0.000 0.604 350 N N 4.455 123.463 118.700 0.513 0.000 3.044 350 N HA 0.208 4.949 4.740 0.001 0.000 0.254 350 N C -2.141 173.446 175.510 0.128 0.000 1.253 350 N CA -2.331 50.736 53.050 0.029 0.000 0.944 350 N CB 0.591 38.855 38.487 -0.371 0.000 1.217 350 N HN 0.296 nan 8.380 nan 0.000 0.498 351 P HA -0.138 nan 4.420 nan 0.000 0.221 351 P C 1.538 178.817 177.300 -0.036 0.000 1.150 351 P CA 0.352 63.513 63.100 0.102 0.000 0.800 351 P CB 0.730 32.512 31.700 0.137 0.000 0.787 352 L N 0.496 121.681 121.223 -0.064 0.000 1.994 352 L HA -0.137 4.204 4.340 0.001 0.000 0.208 352 L C 2.806 179.621 176.870 -0.091 0.000 1.071 352 L CA 1.975 56.783 54.840 -0.053 0.000 0.745 352 L CB -1.582 40.431 42.059 -0.078 0.000 0.892 352 L HN -0.105 nan 8.230 nan 0.000 0.431 353 Q N -1.244 118.435 119.800 -0.201 0.000 2.084 353 Q HA -0.244 4.097 4.340 0.001 0.000 0.202 353 Q C 2.273 178.165 176.000 -0.180 0.000 0.978 353 Q CA 1.985 57.671 55.803 -0.194 0.000 0.844 353 Q CB -0.216 28.373 28.738 -0.250 0.000 0.898 353 Q HN 0.558 nan 8.270 nan 0.000 0.426 354 M N 0.353 119.801 119.600 -0.253 0.000 2.065 354 M HA -0.174 4.307 4.480 0.001 0.000 0.259 354 M C 2.011 178.255 176.300 -0.094 0.000 1.069 354 M CA 2.207 57.304 55.300 -0.339 0.000 1.110 354 M CB -0.869 31.257 32.600 -0.789 0.000 1.328 354 M HN 0.283 nan 8.290 nan 0.000 0.405 355 A N 0.331 123.136 122.820 -0.025 0.000 1.933 355 A HA -0.108 4.212 4.320 0.001 0.000 0.218 355 A C 2.156 179.934 177.584 0.322 0.000 1.175 355 A CA 1.287 53.424 52.037 0.167 0.000 0.628 355 A CB -0.880 18.213 19.000 0.155 0.000 0.814 355 A HN 0.619 nan 8.150 nan 0.000 0.444 356 L N -0.664 120.646 121.223 0.145 0.000 2.395 356 L HA -0.016 4.325 4.340 0.001 0.000 0.218 356 L C 2.275 179.140 176.870 -0.008 0.000 1.130 356 L CA 0.229 55.113 54.840 0.074 0.000 0.826 356 L CB -0.302 41.753 42.059 -0.006 0.000 0.941 356 L HN 0.382 nan 8.230 nan 0.000 0.451 357 L N -1.661 119.535 121.223 -0.045 0.000 2.072 357 L HA -0.161 4.179 4.340 0.001 0.000 0.205 357 L C 2.244 179.078 176.870 -0.060 0.000 1.079 357 L CA 1.564 56.326 54.840 -0.129 0.000 0.752 357 L CB -0.285 41.596 42.059 -0.297 0.000 0.906 357 L HN 0.351 nan 8.230 nan 0.000 0.436 358 W N -0.043 121.340 121.300 0.138 0.000 2.418 358 W HA -0.136 4.524 4.660 0.001 0.000 0.292 358 W C 2.466 179.182 176.519 0.329 0.000 1.213 358 W CA 0.978 58.454 57.345 0.218 0.000 1.283 358 W CB -0.367 29.081 29.460 -0.019 0.000 1.119 358 W HN 0.229 nan 8.180 nan 0.000 0.542 359 N N -0.190 118.753 118.700 0.406 0.000 2.120 359 N HA -0.172 4.569 4.740 0.001 0.000 0.188 359 N C 1.478 177.047 175.510 0.099 0.000 1.024 359 N CA 2.498 55.648 53.050 0.166 0.000 0.852 359 N CB -0.462 38.072 38.487 0.078 0.000 1.003 359 N HN -0.130 nan 8.380 nan 0.000 0.424 360 T N 0.149 114.716 114.554 0.021 0.000 2.915 360 T HA -0.051 4.300 4.350 0.001 0.000 0.269 360 T C 1.619 176.402 174.700 0.138 0.000 1.071 360 T CA 0.571 62.596 62.100 -0.124 0.000 1.132 360 T CB -0.207 68.278 68.868 -0.639 0.000 0.878 360 T HN 0.126 nan 8.240 nan 0.000 0.479 361 L N 0.776 122.221 121.223 0.371 0.000 2.217 361 L HA 0.242 4.582 4.340 0.001 0.000 0.211 361 L C 2.468 179.633 176.870 0.492 0.000 1.107 361 L CA 1.017 56.217 54.840 0.601 0.000 0.783 361 L CB -0.673 41.791 42.059 0.674 0.000 0.919 361 L HN 0.219 nan 8.230 nan 0.000 0.442 362 A N -1.470 121.433 122.820 0.137 0.000 1.878 362 A HA -0.115 4.206 4.320 0.001 0.000 0.213 362 A C 2.291 179.680 177.584 -0.326 0.000 1.192 362 A CA 1.631 53.288 52.037 -0.633 0.000 0.619 362 A CB -0.988 17.392 19.000 -1.033 0.000 0.837 362 A HN 0.476 nan 8.150 nan 0.000 0.446 363 T N -4.863 109.655 114.554 -0.060 0.000 3.043 363 T HA 0.099 4.450 4.350 0.001 0.000 0.263 363 T C 1.037 175.781 174.700 0.074 0.000 1.094 363 T CA 0.970 63.066 62.100 -0.006 0.000 1.127 363 T CB -0.061 68.812 68.868 0.008 0.000 0.905 363 T HN 0.388 nan 8.240 nan 0.000 0.490 364 R N 0.588 121.179 120.500 0.152 0.000 3.922 364 R HA -0.117 4.224 4.340 0.001 0.000 0.447 364 R C -0.659 175.806 176.300 0.275 0.000 1.035 364 R CA 1.342 57.606 56.100 0.274 0.000 1.289 364 R CB -2.222 28.248 30.300 0.283 0.000 1.906 364 R HN 0.679 nan 8.270 nan 0.000 0.540 365 E N -0.071 120.172 120.200 0.072 0.000 2.158 365 E HA 0.284 4.634 4.350 0.001 0.000 0.271 365 E C 0.836 177.369 176.600 -0.111 0.000 0.911 365 E CA 0.122 56.487 56.400 -0.057 0.000 0.767 365 E CB 1.695 31.334 29.700 -0.102 0.000 1.120 365 E HN 0.104 nan 8.360 nan 0.000 0.405 366 V N 0.722 120.563 119.914 -0.122 0.000 3.573 366 V HA -0.137 3.984 4.120 0.001 0.000 0.270 366 V C 1.319 177.367 176.094 -0.077 0.000 1.221 366 V CA 0.744 62.959 62.300 -0.142 0.000 1.163 366 V CB -1.002 30.782 31.823 -0.066 0.000 0.847 366 V HN 0.574 nan 8.190 nan 0.000 0.468 367 N N 2.391 121.040 118.700 -0.086 0.000 2.049 367 N HA -0.282 4.458 4.740 0.001 0.000 0.198 367 N C 1.542 177.050 175.510 -0.004 0.000 1.030 367 N CA 2.617 55.638 53.050 -0.048 0.000 0.870 367 N CB -1.059 37.377 38.487 -0.085 0.000 1.045 367 N HN 0.540 nan 8.380 nan 0.000 0.434 368 L N -1.170 120.010 121.223 -0.072 0.000 2.109 368 L HA 0.009 4.350 4.340 0.001 0.000 0.207 368 L C 2.399 179.245 176.870 -0.040 0.000 1.086 368 L CA 0.562 55.355 54.840 -0.078 0.000 0.760 368 L CB -0.380 41.564 42.059 -0.192 0.000 0.910 368 L HN 0.171 nan 8.230 nan 0.000 0.437 369 L N -0.608 120.575 121.223 -0.068 0.000 2.056 369 L HA -0.243 4.098 4.340 0.001 0.000 0.207 369 L C 2.530 179.386 176.870 -0.023 0.000 1.078 369 L CA 1.871 56.666 54.840 -0.076 0.000 0.749 369 L CB -0.609 41.353 42.059 -0.162 0.000 0.901 369 L HN 0.246 nan 8.230 nan 0.000 0.433 370 H N -0.839 118.198 119.070 -0.056 0.000 2.319 370 H HA -0.218 4.339 4.556 0.001 0.000 0.299 370 H C 2.326 177.642 175.328 -0.019 0.000 1.092 370 H CA 2.311 58.343 56.048 -0.025 0.000 1.302 370 H CB -0.012 29.745 29.762 -0.009 0.000 1.373 370 H HN 0.540 nan 8.280 nan 0.000 0.497 371 Q N -0.283 119.573 119.800 0.094 0.000 2.096 371 Q HA -0.178 4.162 4.340 0.001 0.000 0.204 371 Q C 2.369 178.436 176.000 0.111 0.000 0.982 371 Q CA 1.497 57.397 55.803 0.160 0.000 0.850 371 Q CB -0.271 28.593 28.738 0.210 0.000 0.901 371 Q HN 0.614 nan 8.270 nan 0.000 0.422 372 A N 0.546 123.390 122.820 0.039 0.000 1.898 372 A HA -0.120 4.201 4.320 0.001 0.000 0.216 372 A C 1.992 179.561 177.584 -0.025 0.000 1.181 372 A CA 1.060 53.112 52.037 0.025 0.000 0.620 372 A CB -0.581 18.411 19.000 -0.014 0.000 0.819 372 A HN 0.441 nan 8.150 nan 0.000 0.442 373 L N -0.664 120.484 121.223 -0.126 0.000 2.291 373 L HA -0.090 4.251 4.340 0.001 0.000 0.214 373 L C 2.470 179.208 176.870 -0.219 0.000 1.120 373 L CA 1.430 56.152 54.840 -0.197 0.000 0.799 373 L CB -0.597 41.280 42.059 -0.304 0.000 0.925 373 L HN 0.356 nan 8.230 nan 0.000 0.446 374 T N -1.732 112.614 114.554 -0.347 0.000 2.894 374 T HA -0.069 4.282 4.350 0.001 0.000 0.258 374 T C 1.386 175.783 174.700 -0.505 0.000 1.043 374 T CA 1.121 62.896 62.100 -0.542 0.000 1.141 374 T CB -0.101 68.215 68.868 -0.921 0.000 0.873 374 T HN 0.209 nan 8.240 nan 0.000 0.449 375 Y N 0.547 120.833 120.300 -0.024 0.000 2.498 375 Y HA 0.398 4.949 4.550 0.001 0.000 0.259 375 Y C 2.004 177.935 175.900 0.052 0.000 1.086 375 Y CA -0.139 57.965 58.100 0.007 0.000 1.287 375 Y CB 0.298 38.749 38.460 -0.014 0.000 1.146 375 Y HN -0.050 nan 8.280 nan 0.000 0.523 376 R N -1.463 119.160 120.500 0.205 0.000 2.596 376 R HA 0.128 4.468 4.340 0.001 0.000 0.369 376 R C 0.620 177.107 176.300 0.312 0.000 1.042 376 R CA 0.084 56.323 56.100 0.231 0.000 1.120 376 R CB 0.094 30.513 30.300 0.197 0.000 1.353 376 R HN 0.274 nan 8.270 nan 0.000 0.564 377 H N 0.448 119.624 119.070 0.176 0.000 2.388 377 H HA 0.193 4.749 4.556 0.001 0.000 0.304 377 H C 0.228 175.788 175.328 0.387 0.000 1.049 377 H CA 0.616 56.832 56.048 0.281 0.000 1.371 377 H CB 0.424 30.218 29.762 0.052 0.000 1.436 377 H HN -0.076 nan 8.280 nan 0.000 0.544 378 N N 1.590 120.407 118.700 0.195 0.000 2.454 378 N HA 0.068 4.809 4.740 0.001 0.000 0.260 378 N C -0.728 174.761 175.510 -0.035 0.000 1.218 378 N CA 0.407 53.493 53.050 0.060 0.000 0.904 378 N CB 0.644 39.166 38.487 0.057 0.000 1.065 378 N HN 0.306 nan 8.380 nan 0.000 0.462 379 L N 2.808 123.939 121.223 -0.153 0.000 2.303 379 L HA 0.577 4.918 4.340 0.001 0.000 0.266 379 L C -1.856 174.901 176.870 -0.188 0.000 1.011 379 L CA -1.961 52.728 54.840 -0.253 0.000 0.818 379 L CB 1.508 43.282 42.059 -0.476 0.000 1.326 379 L HN 0.277 nan 8.230 nan 0.000 0.435 380 P HA 0.080 nan 4.420 nan 0.000 0.271 380 P C -0.874 176.313 177.300 -0.188 0.000 1.244 380 P CA -0.453 62.552 63.100 -0.159 0.000 0.793 380 P CB 0.396 32.010 31.700 -0.143 0.000 0.984 381 E N 0.559 120.624 120.200 -0.225 0.000 2.415 381 E HA -0.049 4.301 4.350 0.001 0.000 0.262 381 E C -0.040 176.341 176.600 -0.364 0.000 1.038 381 E CA 0.170 56.340 56.400 -0.385 0.000 0.921 381 E CB -0.070 29.287 29.700 -0.572 0.000 0.950 381 E HN 0.520 nan 8.360 nan 0.000 0.438 382 H N -1.177 117.860 119.070 -0.055 0.000 2.936 382 H HA -0.154 4.403 4.556 0.001 0.000 0.276 382 H C -0.195 175.085 175.328 -0.080 0.000 1.216 382 H CA 1.265 57.287 56.048 -0.043 0.000 1.132 382 H CB -2.491 27.256 29.762 -0.025 0.000 1.303 382 H HN 0.609 nan 8.280 nan 0.000 0.370 383 T N -2.680 111.836 114.554 -0.063 0.000 2.896 383 T HA 0.927 5.277 4.350 0.001 0.000 0.297 383 T C -0.148 174.443 174.700 -0.182 0.000 1.108 383 T CA -0.307 61.713 62.100 -0.133 0.000 1.004 383 T CB 3.403 72.152 68.868 -0.197 0.000 1.159 383 T HN 0.727 nan 8.240 nan 0.000 0.499 384 A N 0.599 123.296 122.820 -0.206 0.000 2.587 384 A HA 0.734 5.055 4.320 0.001 0.000 0.293 384 A C -1.802 175.672 177.584 -0.183 0.000 1.087 384 A CA -1.268 50.653 52.037 -0.193 0.000 0.692 384 A CB 1.022 19.947 19.000 -0.126 0.000 1.291 384 A HN 0.863 nan 8.150 nan 0.000 0.407 385 W N 0.187 121.416 121.300 -0.119 0.000 2.375 385 W HA 0.533 5.194 4.660 0.001 0.000 0.336 385 W C -0.261 176.196 176.519 -0.103 0.000 1.160 385 W CA -0.533 56.757 57.345 -0.093 0.000 1.266 385 W CB 1.713 31.117 29.460 -0.093 0.000 1.195 385 W HN 0.397 nan 8.180 nan 0.000 0.599 386 V N 4.441 124.478 119.914 0.206 0.000 2.277 386 V HA 0.153 4.274 4.120 0.001 0.000 0.269 386 V C -0.285 175.881 176.094 0.120 0.000 1.036 386 V CA -0.988 61.287 62.300 -0.041 0.000 0.821 386 V CB -0.130 31.445 31.823 -0.413 0.000 1.052 386 V HN 0.418 nan 8.190 nan 0.000 0.462 387 N N 5.291 124.077 118.700 0.144 0.000 2.472 387 N HA 0.467 5.208 4.740 0.001 0.000 0.277 387 N C -0.687 174.996 175.510 0.289 0.000 1.081 387 N CA -0.055 53.110 53.050 0.193 0.000 0.973 387 N CB 1.458 40.003 38.487 0.097 0.000 1.105 387 N HN 0.771 nan 8.380 nan 0.000 0.470 388 Y N -2.536 117.785 120.300 0.034 0.000 2.644 388 Y HA 0.573 5.124 4.550 0.001 0.000 0.338 388 Y C -0.074 175.801 175.900 -0.042 0.000 1.119 388 Y CA -1.106 57.027 58.100 0.055 0.000 1.060 388 Y CB 0.610 39.184 38.460 0.190 0.000 1.294 388 Y HN 0.022 nan 8.280 nan 0.000 0.472 389 V N 0.119 119.962 119.914 -0.119 0.000 2.806 389 V HA 0.376 4.496 4.120 0.001 0.000 0.239 389 V C 0.284 176.410 176.094 0.053 0.000 1.113 389 V CA 0.440 62.580 62.300 -0.265 0.000 1.137 389 V CB 0.191 31.599 31.823 -0.693 0.000 0.865 389 V HN 0.696 nan 8.190 nan 0.000 0.482 390 R N -0.085 120.522 120.500 0.179 0.000 2.799 390 R HA 0.707 5.047 4.340 0.001 0.000 0.270 390 R C -0.641 175.747 176.300 0.147 0.000 1.010 390 R CA 0.126 56.288 56.100 0.102 0.000 0.916 390 R CB 2.136 32.446 30.300 0.015 0.000 1.228 390 R HN 0.446 nan 8.270 nan 0.000 0.469 391 S N -0.739 114.846 115.700 -0.190 0.000 2.840 391 S HA 0.313 4.783 4.470 0.001 0.000 0.307 391 S C 0.800 175.048 174.600 -0.586 0.000 1.180 391 S CA -0.617 57.471 58.200 -0.186 0.000 0.846 391 S CB 0.950 64.144 63.200 -0.010 0.000 1.233 391 S HN 0.787 nan 8.310 nan 0.000 0.548 392 H N -0.248 118.712 119.070 -0.184 0.000 2.547 392 H HA 0.274 4.830 4.556 0.001 0.000 0.272 392 H C -0.558 174.809 175.328 0.064 0.000 0.989 392 H CA 0.402 56.484 56.048 0.056 0.000 1.214 392 H CB -0.478 29.454 29.762 0.283 0.000 1.389 392 H HN 0.424 nan 8.280 nan 0.000 0.577 393 D N 2.214 122.239 120.400 -0.626 0.000 2.388 393 D HA 0.056 4.697 4.640 0.001 0.000 0.254 393 D C 0.413 176.468 176.300 -0.410 0.000 1.111 393 D CA -0.416 53.297 54.000 -0.479 0.000 0.993 393 D CB 1.296 41.756 40.800 -0.566 0.000 1.118 393 D HN 0.385 nan 8.370 nan 0.000 0.502 394 D N -0.244 119.970 120.400 -0.311 0.000 2.371 394 D HA 0.109 4.750 4.640 0.001 0.000 0.242 394 D C 0.190 176.270 176.300 -0.366 0.000 1.218 394 D CA -0.170 53.657 54.000 -0.289 0.000 0.945 394 D CB 1.068 41.800 40.800 -0.114 0.000 1.137 394 D HN 0.249 nan 8.370 nan 0.000 0.464 395 I N 0.118 120.397 120.570 -0.484 0.000 2.315 395 I HA 0.333 4.504 4.170 0.001 0.000 0.291 395 I C 0.845 176.488 176.117 -0.789 0.000 1.006 395 I CA -0.522 60.361 61.300 -0.695 0.000 1.265 395 I CB 1.534 38.915 38.000 -1.032 0.000 1.387 395 I HN 0.383 nan 8.210 nan 0.000 0.475 396 G N 4.940 113.352 108.800 -0.647 0.000 2.415 396 G HA2 0.408 4.368 3.960 0.001 0.000 0.327 396 G HA3 0.408 4.368 3.960 0.001 0.000 0.327 396 G C -1.184 173.366 174.900 -0.583 0.000 1.182 396 G CA -0.531 44.247 45.100 -0.536 0.000 0.924 396 G HN 0.685 nan 8.290 nan 0.000 0.470 397 W N 2.256 123.553 121.300 -0.005 0.000 1.496 397 W HA 0.276 4.937 4.660 0.001 0.000 0.422 397 W C 1.304 177.753 176.519 -0.116 0.000 0.638 397 W CA -0.714 56.661 57.345 0.052 0.000 2.105 397 W CB 0.173 29.716 29.460 0.139 0.000 1.639 397 W HN 0.552 nan 8.180 nan 0.000 0.304 398 T N -1.237 113.340 114.554 0.039 0.000 3.624 398 T HA 0.130 4.481 4.350 0.001 0.000 0.231 398 T C -0.005 174.688 174.700 -0.011 0.000 0.865 398 T CA -0.603 61.471 62.100 -0.043 0.000 0.926 398 T CB -1.510 67.348 68.868 -0.017 0.000 1.189 398 T HN 0.164 nan 8.240 nan 0.000 0.640 399 F N -0.156 119.833 119.950 0.065 0.000 2.380 399 F HA 0.811 5.339 4.527 0.001 0.000 0.321 399 F C 0.309 176.065 175.800 -0.072 0.000 1.103 399 F CA -2.203 55.804 58.000 0.012 0.000 1.067 399 F CB 0.373 39.420 39.000 0.079 0.000 1.265 399 F HN 0.171 nan 8.300 nan 0.000 0.517 400 A N 1.637 124.506 122.820 0.081 0.000 2.362 400 A HA 0.249 4.569 4.320 0.001 0.000 0.276 400 A C 0.705 178.406 177.584 0.195 0.000 1.153 400 A CA -0.519 51.468 52.037 -0.084 0.000 0.813 400 A CB -0.123 18.810 19.000 -0.111 0.000 1.081 400 A HN 0.849 nan 8.150 nan 0.000 0.507 401 D N 1.874 122.364 120.400 0.151 0.000 2.178 401 D HA -0.115 4.525 4.640 0.001 0.000 0.201 401 D C 1.516 177.935 176.300 0.198 0.000 0.980 401 D CA 1.719 55.841 54.000 0.204 0.000 0.842 401 D CB 0.109 41.001 40.800 0.153 0.000 0.948 401 D HN 0.767 nan 8.370 nan 0.000 0.472 402 E N 0.408 120.720 120.200 0.188 0.000 2.107 402 E HA -0.099 4.252 4.350 0.001 0.000 0.191 402 E C 1.534 178.216 176.600 0.137 0.000 0.982 402 E CA 0.857 57.347 56.400 0.150 0.000 0.809 402 E CB -0.025 29.758 29.700 0.138 0.000 0.756 402 E HN 0.207 nan 8.360 nan 0.000 0.459 403 D N 0.158 120.640 120.400 0.137 0.000 2.123 403 D HA -0.053 4.587 4.640 0.001 0.000 0.200 403 D C 1.820 178.204 176.300 0.140 0.000 0.976 403 D CA 1.414 55.479 54.000 0.109 0.000 0.831 403 D CB -0.310 40.553 40.800 0.105 0.000 0.974 403 D HN 0.200 nan 8.370 nan 0.000 0.469 404 A N 0.796 123.712 122.820 0.161 0.000 1.930 404 A HA 0.044 4.365 4.320 0.001 0.000 0.217 404 A C 2.246 179.878 177.584 0.080 0.000 1.175 404 A CA 1.809 53.901 52.037 0.092 0.000 0.627 404 A CB -0.614 18.492 19.000 0.176 0.000 0.815 404 A HN 0.213 nan 8.150 nan 0.000 0.443 405 A N -1.819 121.076 122.820 0.124 0.000 1.969 405 A HA -0.102 4.218 4.320 0.001 0.000 0.218 405 A C 2.049 179.691 177.584 0.097 0.000 1.169 405 A CA 1.495 53.592 52.037 0.099 0.000 0.635 405 A CB -0.699 18.367 19.000 0.111 0.000 0.810 405 A HN 0.648 nan 8.150 nan 0.000 0.445 406 Y N 0.027 120.328 120.300 0.001 0.000 2.421 406 Y HA 0.041 4.592 4.550 0.001 0.000 0.292 406 Y C 1.554 177.442 175.900 -0.020 0.000 1.136 406 Y CA 1.291 59.383 58.100 -0.013 0.000 1.255 406 Y CB 0.018 38.465 38.460 -0.023 0.000 0.991 406 Y HN 0.221 nan 8.280 nan 0.000 0.552 407 L N -1.149 120.102 121.223 0.047 0.000 2.607 407 L HA 0.275 4.616 4.340 0.001 0.000 0.228 407 L C 1.434 178.255 176.870 -0.081 0.000 1.123 407 L CA 0.535 55.356 54.840 -0.032 0.000 0.890 407 L CB -0.276 41.774 42.059 -0.015 0.000 1.103 407 L HN 0.321 nan 8.230 nan 0.000 0.468 408 G N 1.400 110.159 108.800 -0.069 0.000 2.160 408 G HA2 -0.269 3.692 3.960 0.001 0.000 0.244 408 G HA3 -0.269 3.692 3.960 0.001 0.000 0.244 408 G C -0.022 174.837 174.900 -0.067 0.000 1.022 408 G CA -0.122 44.938 45.100 -0.067 0.000 0.741 408 G HN 0.309 nan 8.290 nan 0.000 0.508 409 I N 0.925 121.452 120.570 -0.071 0.000 2.378 409 I HA 0.436 4.607 4.170 0.001 0.000 0.291 409 I C 0.596 176.712 176.117 -0.001 0.000 0.992 409 I CA -0.717 60.517 61.300 -0.110 0.000 1.154 409 I CB 2.006 39.829 38.000 -0.295 0.000 1.315 409 I HN 0.129 nan 8.210 nan 0.000 0.448 410 S N 4.181 119.909 115.700 0.047 0.000 2.448 410 S HA 0.262 4.732 4.470 0.001 0.000 0.279 410 S C 1.308 176.044 174.600 0.226 0.000 1.195 410 S CA -0.166 58.113 58.200 0.132 0.000 1.051 410 S CB 1.003 64.283 63.200 0.134 0.000 0.948 410 S HN 0.851 nan 8.310 nan 0.000 0.493 411 G N 4.075 113.042 108.800 0.279 0.000 2.476 411 G HA2 -0.254 3.707 3.960 0.001 0.000 0.218 411 G HA3 -0.254 3.707 3.960 0.001 0.000 0.218 411 G C 1.084 176.177 174.900 0.322 0.000 1.164 411 G CA 1.106 46.431 45.100 0.376 0.000 0.768 411 G HN 0.836 nan 8.290 nan 0.000 0.560 412 Y N 1.855 122.254 120.300 0.165 0.000 2.114 412 Y HA -0.122 4.428 4.550 0.001 0.000 0.284 412 Y C 2.546 178.545 175.900 0.165 0.000 1.143 412 Y CA 2.118 60.301 58.100 0.139 0.000 1.135 412 Y CB -0.080 38.441 38.460 0.102 0.000 0.980 412 Y HN 0.199 nan 8.280 nan 0.000 0.499 413 D N -1.435 119.101 120.400 0.228 0.000 2.178 413 D HA -0.186 4.454 4.640 0.001 0.000 0.201 413 D C 1.872 178.259 176.300 0.144 0.000 0.980 413 D CA 1.687 55.781 54.000 0.156 0.000 0.842 413 D CB -0.478 40.438 40.800 0.192 0.000 0.948 413 D HN 0.476 nan 8.370 nan 0.000 0.472 414 H N 0.976 120.105 119.070 0.098 0.000 2.395 414 H HA 0.117 4.674 4.556 0.001 0.000 0.299 414 H C 1.916 177.290 175.328 0.076 0.000 1.070 414 H CA 1.217 57.334 56.048 0.115 0.000 1.356 414 H CB 0.232 30.081 29.762 0.145 0.000 1.401 414 H HN -0.047 nan 8.280 nan 0.000 0.524 415 R N -0.419 120.139 120.500 0.096 0.000 2.148 415 R HA -0.113 4.227 4.340 0.001 0.000 0.223 415 R C 2.147 178.343 176.300 -0.173 0.000 1.088 415 R CA 1.148 57.203 56.100 -0.076 0.000 0.985 415 R CB 0.018 30.338 30.300 0.033 0.000 0.880 415 R HN 0.337 nan 8.270 nan 0.000 0.451 416 Q N 0.412 120.110 119.800 -0.170 0.000 2.079 416 Q HA -0.164 4.177 4.340 0.001 0.000 0.200 416 Q C 1.667 177.611 176.000 -0.093 0.000 0.974 416 Q CA 1.533 57.253 55.803 -0.138 0.000 0.840 416 Q CB -0.249 28.408 28.738 -0.134 0.000 0.898 416 Q HN 0.299 nan 8.270 nan 0.000 0.430 417 F N 0.084 119.890 119.950 -0.239 0.000 2.084 417 F HA -0.098 4.430 4.527 0.001 0.000 0.296 417 F C 1.524 177.087 175.800 -0.394 0.000 1.111 417 F CA 1.400 59.198 58.000 -0.338 0.000 1.224 417 F CB -0.455 38.290 39.000 -0.426 0.000 0.991 417 F HN 0.114 nan 8.300 nan 0.000 0.471 418 L N 0.415 121.100 121.223 -0.897 0.000 2.042 418 L HA -0.282 4.059 4.340 0.001 0.000 0.210 418 L C 2.117 178.703 176.870 -0.472 0.000 1.076 418 L CA 2.092 56.322 54.840 -1.017 0.000 0.749 418 L CB -1.014 40.160 42.059 -1.476 0.000 0.893 418 L HN 0.266 nan 8.230 nan 0.000 0.432 419 N N -0.570 117.972 118.700 -0.263 0.000 2.142 419 N HA -0.127 4.614 4.740 0.001 0.000 0.186 419 N C 1.932 177.443 175.510 0.002 0.000 1.023 419 N CA 0.824 53.919 53.050 0.075 0.000 0.852 419 N CB 0.018 38.583 38.487 0.130 0.000 0.998 419 N HN 0.222 nan 8.380 nan 0.000 0.424 420 R N -0.299 120.132 120.500 -0.114 0.000 2.092 420 R HA -0.073 4.267 4.340 0.001 0.000 0.231 420 R C 1.786 178.005 176.300 -0.136 0.000 1.119 420 R CA 0.886 56.939 56.100 -0.078 0.000 0.970 420 R CB -0.362 29.933 30.300 -0.007 0.000 0.864 420 R HN 0.249 nan 8.270 nan 0.000 0.440 421 F N 0.535 120.159 119.950 -0.543 0.000 2.075 421 F HA -0.151 4.376 4.527 0.001 0.000 0.297 421 F C 1.590 177.040 175.800 -0.583 0.000 1.113 421 F CA 1.518 59.090 58.000 -0.713 0.000 1.218 421 F CB -0.200 37.977 39.000 -1.371 0.000 0.984 421 F HN -0.144 nan 8.300 nan 0.000 0.472 422 F N -0.324 119.574 119.950 -0.087 0.000 2.699 422 F HA -0.029 4.498 4.527 0.001 0.000 0.298 422 F C 1.770 177.527 175.800 -0.072 0.000 1.154 422 F CA 0.751 58.726 58.000 -0.042 0.000 1.457 422 F CB -0.260 38.805 39.000 0.109 0.000 1.106 422 F HN -0.028 nan 8.300 nan 0.000 0.585 423 V N -3.196 116.737 119.914 0.032 0.000 3.214 423 V HA 0.318 4.439 4.120 0.001 0.000 0.330 423 V C 0.568 176.639 176.094 -0.039 0.000 1.403 423 V CA -0.128 62.188 62.300 0.027 0.000 1.143 423 V CB -0.729 31.127 31.823 0.054 0.000 1.098 423 V HN 0.387 nan 8.190 nan 0.000 0.463 424 N N 1.994 120.611 118.700 -0.139 0.000 2.756 424 N HA -0.186 4.555 4.740 0.001 0.000 0.248 424 N C 0.269 175.720 175.510 -0.098 0.000 1.062 424 N CA 0.793 53.745 53.050 -0.164 0.000 0.696 424 N CB -0.695 37.732 38.487 -0.099 0.000 0.946 424 N HN 0.595 nan 8.380 nan 0.000 0.548 425 R N 0.187 120.642 120.500 -0.075 0.000 2.748 425 R HA 0.329 4.670 4.340 0.001 0.000 0.395 425 R C -0.730 175.618 176.300 0.080 0.000 1.128 425 R CA -0.148 55.945 56.100 -0.011 0.000 1.042 425 R CB -0.427 29.870 30.300 -0.005 0.000 1.392 425 R HN 0.297 nan 8.270 nan 0.000 0.582 426 F N -0.036 119.823 119.950 -0.152 0.000 2.608 426 F HA 0.236 4.764 4.527 0.001 0.000 0.309 426 F C -0.662 175.076 175.800 -0.104 0.000 1.103 426 F CA -1.671 56.279 58.000 -0.083 0.000 0.954 426 F CB 1.717 40.691 39.000 -0.043 0.000 1.267 426 F HN -0.033 nan 8.300 nan 0.000 0.444 427 D N 3.041 123.089 120.400 -0.587 0.000 2.450 427 D HA 0.394 5.035 4.640 0.001 0.000 0.247 427 D C 1.066 177.270 176.300 -0.160 0.000 1.162 427 D CA 2.039 55.822 54.000 -0.362 0.000 0.879 427 D CB 0.774 41.330 40.800 -0.406 0.000 1.163 427 D HN 1.038 nan 8.370 nan 0.000 0.472 428 G N 2.667 111.429 108.800 -0.064 0.000 2.162 428 G HA2 -0.297 3.663 3.960 0.001 0.000 0.260 428 G HA3 -0.297 3.663 3.960 0.001 0.000 0.260 428 G C 0.466 175.379 174.900 0.023 0.000 0.976 428 G CA 0.401 45.522 45.100 0.035 0.000 0.655 428 G HN 0.755 nan 8.290 nan 0.000 0.533 429 S N -0.045 115.541 115.700 -0.190 0.000 2.533 429 S HA 0.472 4.943 4.470 0.001 0.000 0.282 429 S C 1.425 175.776 174.600 -0.415 0.000 1.304 429 S CA 0.329 58.109 58.200 -0.701 0.000 1.063 429 S CB 0.024 62.568 63.200 -1.094 0.000 0.881 429 S HN 0.989 nan 8.310 nan 0.000 0.493 430 F N 2.928 122.729 119.950 -0.249 0.000 2.754 430 F HA 0.537 5.065 4.527 0.001 0.000 0.297 430 F C 0.842 176.605 175.800 -0.061 0.000 1.122 430 F CA -0.465 57.501 58.000 -0.057 0.000 1.400 430 F CB -0.820 38.231 39.000 0.085 0.000 1.117 430 F HN 0.525 nan 8.300 nan 0.000 0.587 431 A N 1.689 124.328 122.820 -0.302 0.000 2.401 431 A HA 0.602 4.923 4.320 0.001 0.000 0.259 431 A C 0.497 178.050 177.584 -0.052 0.000 1.103 431 A CA -0.632 51.359 52.037 -0.076 0.000 0.789 431 A CB 0.328 19.192 19.000 -0.227 0.000 1.035 431 A HN 0.317 nan 8.150 nan 0.000 0.491 432 R N 2.338 122.882 120.500 0.073 0.000 2.886 432 R HA 0.263 4.604 4.340 0.001 0.000 0.306 432 R C 0.352 176.703 176.300 0.085 0.000 1.300 432 R CA 0.075 56.212 56.100 0.063 0.000 1.441 432 R CB 0.619 30.968 30.300 0.083 0.000 1.328 432 R HN 0.817 nan 8.270 nan 0.000 0.629 433 G N -0.151 108.698 108.800 0.083 0.000 2.531 433 G HA2 0.538 4.498 3.960 0.001 0.000 0.313 433 G HA3 0.538 4.498 3.960 0.001 0.000 0.313 433 G C -0.313 174.637 174.900 0.084 0.000 1.238 433 G CA -0.365 44.782 45.100 0.079 0.000 0.994 433 G HN 0.078 nan 8.290 nan 0.000 0.493 434 V N -2.519 117.442 119.914 0.077 0.000 2.823 434 V HA 0.696 4.816 4.120 0.001 0.000 0.312 434 V C -2.741 173.418 176.094 0.110 0.000 1.072 434 V CA -2.650 59.715 62.300 0.109 0.000 0.937 434 V CB 1.948 33.865 31.823 0.157 0.000 1.013 434 V HN 0.526 nan 8.190 nan 0.000 0.430 435 P HA 0.401 nan 4.420 nan 0.000 0.272 435 P C -1.303 176.144 177.300 0.246 0.000 1.230 435 P CA 0.111 63.310 63.100 0.165 0.000 0.788 435 P CB 0.248 32.025 31.700 0.129 0.000 0.949 436 F N 1.776 121.761 119.950 0.058 0.000 2.573 436 F HA 0.234 4.762 4.527 0.001 0.000 0.316 436 F C -0.543 175.313 175.800 0.093 0.000 1.148 436 F CA -0.378 57.647 58.000 0.042 0.000 0.940 436 F CB 1.238 40.226 39.000 -0.020 0.000 1.214 436 F HN 0.244 nan 8.300 nan 0.000 0.448 437 Q N 4.138 123.618 119.800 -0.532 0.000 2.453 437 Q HA -0.301 4.040 4.340 0.001 0.000 0.330 437 Q C -1.202 174.749 176.000 -0.081 0.000 1.417 437 Q CA 0.693 56.257 55.803 -0.398 0.000 0.902 437 Q CB -2.048 26.355 28.738 -0.559 0.000 1.154 437 Q HN 0.698 nan 8.270 nan 0.000 0.395 438 Y N 1.508 121.762 120.300 -0.076 0.000 2.496 438 Y HA 0.241 4.791 4.550 0.001 0.000 0.334 438 Y C 0.240 176.131 175.900 -0.014 0.000 1.080 438 Y CA -0.675 57.419 58.100 -0.010 0.000 1.355 438 Y CB 0.522 38.996 38.460 0.024 0.000 1.193 438 Y HN 0.167 nan 8.280 nan 0.000 0.523 439 N N 9.098 127.484 118.700 -0.524 0.000 2.501 439 N HA 0.264 5.004 4.740 0.001 0.000 0.245 439 N C -2.100 172.990 175.510 -0.700 0.000 0.974 439 N CA -2.384 50.394 53.050 -0.455 0.000 0.941 439 N CB 1.500 39.855 38.487 -0.219 0.000 1.122 439 N HN 0.421 nan 8.380 nan 0.000 0.507 440 P HA -0.079 nan 4.420 nan 0.000 0.223 440 P C 1.053 178.249 177.300 -0.172 0.000 1.151 440 P CA 0.684 63.527 63.100 -0.428 0.000 0.787 440 P CB 0.571 32.165 31.700 -0.176 0.000 0.788 441 S N -0.472 115.139 115.700 -0.148 0.000 2.436 441 S HA -0.041 4.429 4.470 0.001 0.000 0.228 441 S C 1.745 176.317 174.600 -0.047 0.000 1.014 441 S CA 1.816 59.972 58.200 -0.074 0.000 0.950 441 S CB -0.651 62.509 63.200 -0.066 0.000 0.784 441 S HN 0.377 nan 8.310 nan 0.000 0.504 442 T N -4.251 110.271 114.554 -0.054 0.000 2.964 442 T HA 0.463 4.813 4.350 0.001 0.000 0.249 442 T C 1.541 176.325 174.700 0.141 0.000 1.000 442 T CA 0.938 63.052 62.100 0.023 0.000 0.992 442 T CB 0.157 69.036 68.868 0.019 0.000 1.087 442 T HN 0.797 nan 8.240 nan 0.000 0.489 443 G N 1.478 110.321 108.800 0.071 0.000 2.175 443 G HA2 -0.211 3.750 3.960 0.001 0.000 0.244 443 G HA3 -0.211 3.750 3.960 0.001 0.000 0.244 443 G C -0.244 174.767 174.900 0.185 0.000 0.982 443 G CA 0.094 45.330 45.100 0.227 0.000 0.641 443 G HN 0.820 nan 8.290 nan 0.000 0.527 444 D N -0.328 120.131 120.400 0.099 0.000 2.345 444 D HA 0.585 5.226 4.640 0.001 0.000 0.247 444 D C 0.217 176.599 176.300 0.137 0.000 1.108 444 D CA 0.535 54.597 54.000 0.102 0.000 0.894 444 D CB 0.990 41.827 40.800 0.061 0.000 1.203 444 D HN 0.518 nan 8.370 nan 0.000 0.430 445 C N 3.123 122.538 119.300 0.190 0.000 3.171 445 C HA 0.681 5.142 4.460 0.001 0.000 0.336 445 C C -1.208 173.900 174.990 0.198 0.000 1.198 445 C CA -0.625 58.529 59.018 0.226 0.000 1.319 445 C CB 0.855 28.790 27.740 0.326 0.000 1.682 445 C HN 0.808 nan 8.230 nan 0.000 0.497 446 R N 1.901 122.496 120.500 0.158 0.000 2.873 446 R HA 0.863 5.204 4.340 0.001 0.000 0.264 446 R C -1.285 175.089 176.300 0.123 0.000 1.026 446 R CA -0.521 55.632 56.100 0.087 0.000 1.002 446 R CB 1.779 32.152 30.300 0.121 0.000 1.174 446 R HN 0.526 nan 8.270 nan 0.000 0.488 447 V N 0.876 120.768 119.914 -0.037 0.000 2.459 447 V HA 0.474 4.595 4.120 0.001 0.000 0.295 447 V C -0.438 175.580 176.094 -0.126 0.000 1.029 447 V CA -0.643 61.639 62.300 -0.032 0.000 0.874 447 V CB 1.859 33.660 31.823 -0.036 0.000 0.985 447 V HN 0.718 nan 8.190 nan 0.000 0.438 448 S N 2.093 117.764 115.700 -0.048 0.000 2.578 448 S HA 0.956 5.427 4.470 0.001 0.000 0.301 448 S C 0.169 174.769 174.600 -0.000 0.000 1.091 448 S CA -0.051 58.141 58.200 -0.014 0.000 1.032 448 S CB 1.768 64.865 63.200 -0.171 0.000 1.064 448 S HN 1.501 nan 8.310 nan 0.000 0.508 449 G N 1.374 110.248 108.800 0.124 0.000 2.351 449 G HA2 0.268 4.228 3.960 0.001 0.000 0.472 449 G HA3 0.268 4.228 3.960 0.001 0.000 0.472 449 G C -0.453 174.416 174.900 -0.053 0.000 1.570 449 G CA -0.496 44.618 45.100 0.024 0.000 0.921 449 G HN 0.860 nan 8.290 nan 0.000 0.674 450 T N -0.352 114.243 114.554 0.069 0.000 2.748 450 T HA 0.583 4.934 4.350 0.001 0.000 0.304 450 T C 1.986 176.752 174.700 0.110 0.000 1.041 450 T CA 0.842 63.009 62.100 0.111 0.000 1.033 450 T CB 1.373 70.377 68.868 0.227 0.000 0.995 450 T HN 2.062 nan 8.240 nan 0.000 0.536 451 A N 0.942 123.908 122.820 0.243 0.000 1.940 451 A HA 0.146 4.466 4.320 0.001 0.000 0.219 451 A C 2.659 180.487 177.584 0.406 0.000 1.176 451 A CA 1.869 54.169 52.037 0.439 0.000 0.631 451 A CB -1.557 17.753 19.000 0.516 0.000 0.814 451 A HN 1.229 nan 8.150 nan 0.000 0.446 452 A N -0.335 122.660 122.820 0.292 0.000 1.930 452 A HA 0.221 4.542 4.320 0.001 0.000 0.217 452 A C 2.455 180.169 177.584 0.216 0.000 1.175 452 A CA 1.887 54.062 52.037 0.231 0.000 0.627 452 A CB -0.860 18.248 19.000 0.180 0.000 0.815 452 A HN 1.023 nan 8.150 nan 0.000 0.443 453 A N -0.471 122.467 122.820 0.196 0.000 1.968 453 A HA 0.106 4.427 4.320 0.001 0.000 0.217 453 A C 1.991 179.700 177.584 0.209 0.000 1.169 453 A CA 1.250 53.390 52.037 0.172 0.000 0.638 453 A CB -0.448 18.634 19.000 0.137 0.000 0.812 453 A HN 0.451 nan 8.150 nan 0.000 0.446 454 L N -0.099 121.265 121.223 0.236 0.000 2.492 454 L HA -0.021 4.320 4.340 0.001 0.000 0.223 454 L C 2.051 179.327 176.870 0.677 0.000 1.132 454 L CA 0.682 55.731 54.840 0.348 0.000 0.850 454 L CB 0.081 42.131 42.059 -0.015 0.000 0.966 454 L HN 0.408 nan 8.230 nan 0.000 0.454 455 V N -4.412 115.841 119.914 0.565 0.000 3.644 455 V HA 0.502 4.623 4.120 0.001 0.000 0.267 455 V C 1.264 177.535 176.094 0.294 0.000 1.277 455 V CA 0.538 63.119 62.300 0.468 0.000 1.096 455 V CB 0.188 32.155 31.823 0.241 0.000 0.828 455 V HN 0.381 nan 8.190 nan 0.000 0.446 456 G N 0.579 109.564 108.800 0.307 0.000 2.154 456 G HA2 -0.212 3.749 3.960 0.001 0.000 0.186 456 G HA3 -0.212 3.749 3.960 0.001 0.000 0.186 456 G C 0.297 175.277 174.900 0.134 0.000 1.000 456 G CA 0.236 45.469 45.100 0.222 0.000 0.664 456 G HN 0.491 nan 8.290 nan 0.000 0.513 457 L N 0.913 122.211 121.223 0.126 0.000 2.275 457 L HA 0.498 4.839 4.340 0.001 0.000 0.215 457 L C 2.825 179.745 176.870 0.083 0.000 1.119 457 L CA 2.742 57.636 54.840 0.090 0.000 0.790 457 L CB -0.445 41.668 42.059 0.091 0.000 0.919 457 L HN 0.579 nan 8.230 nan 0.000 0.443 458 A N -0.588 122.291 122.820 0.098 0.000 1.933 458 A HA -0.181 4.139 4.320 0.001 0.000 0.218 458 A C 1.961 179.586 177.584 0.069 0.000 1.175 458 A CA 1.560 53.648 52.037 0.085 0.000 0.628 458 A CB -0.434 18.623 19.000 0.096 0.000 0.814 458 A HN 0.636 nan 8.150 nan 0.000 0.444 459 Q N -0.913 118.930 119.800 0.072 0.000 2.220 459 Q HA 0.064 4.405 4.340 0.001 0.000 0.205 459 Q C -1.024 175.006 176.000 0.049 0.000 0.865 459 Q CA 0.614 56.452 55.803 0.058 0.000 0.960 459 Q CB -0.260 28.515 28.738 0.063 0.000 1.097 459 Q HN 0.568 nan 8.270 nan 0.000 0.493 460 D N 1.924 122.352 120.400 0.047 0.000 2.716 460 D HA -0.144 4.496 4.640 0.001 0.000 0.239 460 D C -0.809 175.504 176.300 0.022 0.000 1.125 460 D CA 0.992 55.011 54.000 0.031 0.000 0.681 460 D CB -0.944 39.868 40.800 0.020 0.000 1.070 460 D HN 0.498 nan 8.370 nan 0.000 0.432 461 D N 1.080 121.502 120.400 0.036 0.000 2.434 461 D HA 0.018 4.659 4.640 0.001 0.000 0.252 461 D C -0.751 175.536 176.300 -0.022 0.000 1.185 461 D CA -1.161 52.856 54.000 0.028 0.000 0.886 461 D CB 1.150 41.990 40.800 0.066 0.000 1.148 461 D HN 0.100 nan 8.370 nan 0.000 0.483 462 P HA -0.137 nan 4.420 nan 0.000 0.228 462 P C 0.664 177.851 177.300 -0.188 0.000 1.151 462 P CA 0.944 63.949 63.100 -0.158 0.000 0.770 462 P CB 0.267 31.831 31.700 -0.226 0.000 0.786 463 H N -0.995 118.055 119.070 -0.033 0.000 2.592 463 H HA 0.318 4.875 4.556 0.001 0.000 0.265 463 H C 2.052 177.260 175.328 -0.200 0.000 0.955 463 H CA 0.544 56.556 56.048 -0.060 0.000 1.175 463 H CB -0.185 29.573 29.762 -0.008 0.000 1.433 463 H HN 0.080 nan 8.280 nan 0.000 0.537 464 A N 0.892 123.682 122.820 -0.050 0.000 1.892 464 A HA -0.169 4.152 4.320 0.001 0.000 0.218 464 A C 2.642 180.189 177.584 -0.062 0.000 1.188 464 A CA 1.954 53.947 52.037 -0.075 0.000 0.631 464 A CB -0.918 18.083 19.000 0.001 0.000 0.822 464 A HN 0.195 nan 8.150 nan 0.000 0.447 465 V N 0.529 120.424 119.914 -0.031 0.000 2.343 465 V HA -0.235 3.886 4.120 0.001 0.000 0.247 465 V C 2.112 178.183 176.094 -0.039 0.000 1.051 465 V CA 2.303 64.593 62.300 -0.016 0.000 1.036 465 V CB -0.768 31.051 31.823 -0.007 0.000 0.654 465 V HN 0.522 nan 8.190 nan 0.000 0.451 466 D N -0.374 119.993 120.400 -0.054 0.000 2.178 466 D HA -0.104 4.537 4.640 0.001 0.000 0.202 466 D C 2.398 178.593 176.300 -0.174 0.000 0.974 466 D CA 0.893 54.858 54.000 -0.058 0.000 0.841 466 D CB -0.173 40.656 40.800 0.049 0.000 0.953 466 D HN 0.403 nan 8.370 nan 0.000 0.478 467 R N 0.164 120.458 120.500 -0.344 0.000 2.075 467 R HA 0.009 4.350 4.340 0.001 0.000 0.232 467 R C 2.503 178.665 176.300 -0.229 0.000 1.126 467 R CA 0.627 56.435 56.100 -0.485 0.000 0.963 467 R CB -0.157 29.783 30.300 -0.600 0.000 0.858 467 R HN 0.211 nan 8.270 nan 0.000 0.435 468 I N 0.924 121.444 120.570 -0.083 0.000 2.226 468 I HA -0.274 3.896 4.170 0.001 0.000 0.245 468 I C 2.047 178.230 176.117 0.109 0.000 1.100 468 I CA 1.440 62.781 61.300 0.067 0.000 1.374 468 I CB -0.160 37.925 38.000 0.142 0.000 1.057 468 I HN 0.081 nan 8.210 nan 0.000 0.413 469 K N 0.259 120.675 120.400 0.026 0.000 2.147 469 K HA -0.185 4.136 4.320 0.001 0.000 0.205 469 K C 2.010 178.602 176.600 -0.014 0.000 1.049 469 K CA 1.154 57.450 56.287 0.014 0.000 0.936 469 K CB -0.171 32.305 32.500 -0.040 0.000 0.722 469 K HN 0.159 nan 8.250 nan 0.000 0.446 470 L N 0.957 122.126 121.223 -0.089 0.000 2.044 470 L HA -0.078 4.262 4.340 0.001 0.000 0.205 470 L C 1.748 178.551 176.870 -0.112 0.000 1.075 470 L CA 1.454 56.202 54.840 -0.154 0.000 0.747 470 L CB -0.257 41.609 42.059 -0.322 0.000 0.903 470 L HN 0.076 nan 8.230 nan 0.000 0.435 471 L N -1.677 119.454 121.223 -0.154 0.000 2.046 471 L HA -0.237 4.103 4.340 0.001 0.000 0.208 471 L C 2.456 179.233 176.870 -0.156 0.000 1.077 471 L CA 1.386 56.104 54.840 -0.202 0.000 0.747 471 L CB -0.797 40.999 42.059 -0.439 0.000 0.896 471 L HN 0.247 nan 8.230 nan 0.000 0.432 472 Y N 0.268 120.558 120.300 -0.017 0.000 2.293 472 Y HA -0.228 4.323 4.550 0.001 0.000 0.291 472 Y C 3.065 179.034 175.900 0.115 0.000 1.137 472 Y CA 1.386 59.514 58.100 0.047 0.000 1.202 472 Y CB -0.404 38.084 38.460 0.045 0.000 0.990 472 Y HN 0.290 nan 8.280 nan 0.000 0.537 473 S N -0.371 115.488 115.700 0.265 0.000 2.382 473 S HA -0.154 4.317 4.470 0.001 0.000 0.228 473 S C 1.878 176.777 174.600 0.499 0.000 1.027 473 S CA 1.329 59.773 58.200 0.405 0.000 0.991 473 S CB -0.615 62.732 63.200 0.244 0.000 0.823 473 S HN 0.302 nan 8.310 nan 0.000 0.469 474 I N 2.675 123.440 120.570 0.325 0.000 2.286 474 I HA 0.025 4.196 4.170 0.001 0.000 0.245 474 I C 3.030 179.227 176.117 0.134 0.000 1.104 474 I CA 1.157 62.622 61.300 0.276 0.000 1.397 474 I CB -1.959 36.163 38.000 0.204 0.000 1.072 474 I HN 0.445 nan 8.210 nan 0.000 0.417 475 A N 0.697 123.575 122.820 0.096 0.000 1.969 475 A HA -0.073 4.247 4.320 0.001 0.000 0.218 475 A C 2.328 179.990 177.584 0.130 0.000 1.169 475 A CA 1.078 53.157 52.037 0.070 0.000 0.635 475 A CB -0.625 18.387 19.000 0.020 0.000 0.810 475 A HN 0.403 nan 8.150 nan 0.000 0.445 476 L N -0.178 121.166 121.223 0.201 0.000 2.446 476 L HA -0.015 4.326 4.340 0.001 0.000 0.219 476 L C 2.253 179.178 176.870 0.091 0.000 1.116 476 L CA 1.206 56.148 54.840 0.169 0.000 0.844 476 L CB 0.140 42.348 42.059 0.249 0.000 0.970 476 L HN 0.540 nan 8.230 nan 0.000 0.457 477 S N -3.447 112.343 115.700 0.150 0.000 2.632 477 S HA -0.015 4.456 4.470 0.001 0.000 0.237 477 S C 1.701 176.392 174.600 0.152 0.000 1.037 477 S CA 0.280 58.551 58.200 0.118 0.000 1.009 477 S CB -0.161 62.983 63.200 -0.093 0.000 0.974 477 S HN 0.346 nan 8.310 nan 0.000 0.544 478 T N -0.613 113.949 114.554 0.013 0.000 2.915 478 T HA 0.423 4.774 4.350 0.001 0.000 0.269 478 T C 1.261 175.933 174.700 -0.048 0.000 1.071 478 T CA 0.668 62.608 62.100 -0.266 0.000 1.132 478 T CB -0.781 67.801 68.868 -0.477 0.000 0.878 478 T HN 1.513 nan 8.240 nan 0.000 0.479 479 G N -0.562 108.313 108.800 0.125 0.000 3.400 479 G HA2 0.505 4.466 3.960 0.001 0.000 0.679 479 G HA3 0.505 4.466 3.960 0.001 0.000 0.679 479 G C -0.116 174.929 174.900 0.242 0.000 1.239 479 G CA -0.635 44.590 45.100 0.207 0.000 1.049 479 G HN 1.563 nan 8.290 nan 0.000 0.539 480 G N -0.312 108.565 108.800 0.129 0.000 2.359 480 G HA2 0.458 4.419 3.960 0.001 0.000 0.303 480 G HA3 0.458 4.419 3.960 0.001 0.000 0.303 480 G C -0.935 173.976 174.900 0.018 0.000 1.293 480 G CA -0.318 44.838 45.100 0.093 0.000 0.964 480 G HN 1.653 nan 8.290 nan 0.000 0.531 481 L N 2.673 123.867 121.223 -0.048 0.000 2.261 481 L HA 0.487 4.827 4.340 0.001 0.000 0.289 481 L C -1.665 175.127 176.870 -0.132 0.000 1.059 481 L CA -1.924 52.827 54.840 -0.149 0.000 0.816 481 L CB 1.428 43.315 42.059 -0.287 0.000 1.191 481 L HN 0.384 nan 8.230 nan 0.000 0.431 482 P HA 0.113 nan 4.420 nan 0.000 0.280 482 P C -1.161 176.124 177.300 -0.024 0.000 1.244 482 P CA -0.507 62.598 63.100 0.008 0.000 0.784 482 P CB 1.773 33.517 31.700 0.073 0.000 0.913 483 L N 5.261 126.533 121.223 0.083 0.000 2.318 483 L HA 0.429 4.770 4.340 0.001 0.000 0.277 483 L C -0.409 176.662 176.870 0.335 0.000 1.008 483 L CA -0.745 54.173 54.840 0.129 0.000 0.846 483 L CB 0.507 42.619 42.059 0.089 0.000 1.220 483 L HN 0.246 nan 8.230 nan 0.000 0.423 484 I N 4.578 125.339 120.570 0.319 0.000 2.395 484 I HA 0.116 4.287 4.170 0.001 0.000 0.289 484 I C -0.750 175.607 176.117 0.399 0.000 1.023 484 I CA -0.582 60.970 61.300 0.420 0.000 1.350 484 I CB 0.670 38.782 38.000 0.186 0.000 1.409 484 I HN 0.519 nan 8.210 nan 0.000 0.507 485 Y N 7.447 127.974 120.300 0.378 0.000 2.539 485 Y HA 0.312 4.863 4.550 0.001 0.000 0.352 485 Y C 0.007 176.071 175.900 0.272 0.000 1.004 485 Y CA -0.562 57.720 58.100 0.304 0.000 1.278 485 Y CB 0.207 38.866 38.460 0.333 0.000 1.136 485 Y HN 0.374 nan 8.280 nan 0.000 0.528 486 L N 6.838 127.993 121.223 -0.113 0.000 2.584 486 L HA 0.114 4.455 4.340 0.001 0.000 0.272 486 L C 1.227 178.183 176.870 0.143 0.000 1.195 486 L CA 1.358 56.201 54.840 0.004 0.000 0.920 486 L CB -0.168 41.715 42.059 -0.293 0.000 1.173 486 L HN 1.062 nan 8.230 nan 0.000 0.489 487 G N 1.763 110.795 108.800 0.386 0.000 2.545 487 G HA2 -0.218 3.743 3.960 0.001 0.000 0.195 487 G HA3 -0.218 3.743 3.960 0.001 0.000 0.195 487 G C 0.649 175.684 174.900 0.224 0.000 1.009 487 G CA 0.003 45.318 45.100 0.357 0.000 0.703 487 G HN 0.578 nan 8.290 nan 0.000 0.479 488 D N 1.463 122.026 120.400 0.272 0.000 2.219 488 D HA 0.006 4.647 4.640 0.001 0.000 0.205 488 D C 2.412 178.781 176.300 0.115 0.000 0.970 488 D CA 1.276 55.436 54.000 0.267 0.000 0.851 488 D CB -0.065 40.995 40.800 0.433 0.000 0.943 488 D HN 0.703 nan 8.370 nan 0.000 0.488 489 E N 0.966 121.212 120.200 0.077 0.000 2.478 489 E HA -0.094 4.256 4.350 0.001 0.000 0.198 489 E C 1.345 177.976 176.600 0.053 0.000 1.046 489 E CA 0.659 57.091 56.400 0.054 0.000 0.870 489 E CB -0.011 29.798 29.700 0.182 0.000 0.818 489 E HN 0.303 nan 8.360 nan 0.000 0.527 490 V N -4.023 115.844 119.914 -0.079 0.000 3.330 490 V HA 0.510 4.631 4.120 0.001 0.000 0.309 490 V C 1.015 177.048 176.094 -0.102 0.000 1.481 490 V CA -0.055 62.125 62.300 -0.200 0.000 1.068 490 V CB 0.033 31.474 31.823 -0.636 0.000 0.935 490 V HN 0.167 nan 8.190 nan 0.000 0.453 491 G N 1.465 110.265 108.800 -0.001 0.000 2.298 491 G HA2 -0.233 3.728 3.960 0.001 0.000 0.287 491 G HA3 -0.233 3.728 3.960 0.001 0.000 0.287 491 G C 0.058 174.996 174.900 0.064 0.000 1.075 491 G CA 0.432 45.566 45.100 0.057 0.000 0.960 491 G HN 0.709 nan 8.290 nan 0.000 0.502 492 T N 0.935 115.539 114.554 0.083 0.000 2.888 492 T HA 0.448 4.798 4.350 0.001 0.000 0.301 492 T C 1.420 176.211 174.700 0.152 0.000 1.001 492 T CA 0.030 62.193 62.100 0.106 0.000 1.147 492 T CB 1.244 70.198 68.868 0.144 0.000 0.931 492 T HN 0.414 nan 8.240 nan 0.000 0.541 493 L N 2.462 123.763 121.223 0.129 0.000 2.567 493 L HA 0.386 4.727 4.340 0.001 0.000 0.238 493 L C 1.042 178.009 176.870 0.161 0.000 1.168 493 L CA -1.316 53.608 54.840 0.140 0.000 0.817 493 L CB 0.218 42.344 42.059 0.112 0.000 1.409 493 L HN 0.498 nan 8.230 nan 0.000 0.502 494 N N 0.352 119.146 118.700 0.157 0.000 2.415 494 N HA -0.005 4.736 4.740 0.001 0.000 0.248 494 N C -0.580 175.042 175.510 0.187 0.000 1.271 494 N CA -0.123 53.028 53.050 0.170 0.000 0.913 494 N CB 0.205 38.791 38.487 0.164 0.000 1.129 494 N HN 0.448 nan 8.380 nan 0.000 0.444 495 D N 0.620 121.151 120.400 0.218 0.000 2.325 495 D HA 0.021 4.662 4.640 0.001 0.000 0.251 495 D C 0.000 176.498 176.300 0.330 0.000 1.196 495 D CA -0.180 53.968 54.000 0.247 0.000 0.866 495 D CB 0.578 41.541 40.800 0.272 0.000 1.101 495 D HN 0.320 nan 8.370 nan 0.000 0.476 496 D N 2.314 122.844 120.400 0.215 0.000 2.183 496 D HA -0.100 4.540 4.640 0.001 0.000 0.203 496 D C 0.225 176.572 176.300 0.078 0.000 0.969 496 D CA 0.829 54.929 54.000 0.166 0.000 0.842 496 D CB 0.399 41.256 40.800 0.095 0.000 0.957 496 D HN 0.547 nan 8.370 nan 0.000 0.484 497 D N 0.739 121.178 120.400 0.064 0.000 2.561 497 D HA 0.001 4.642 4.640 0.001 0.000 0.232 497 D C 1.679 177.953 176.300 -0.044 0.000 1.198 497 D CA -0.250 53.729 54.000 -0.035 0.000 0.826 497 D CB -0.204 40.583 40.800 -0.021 0.000 0.992 497 D HN 0.502 nan 8.370 nan 0.000 0.490 498 W N 1.161 122.468 121.300 0.011 0.000 2.443 498 W HA -0.129 4.531 4.660 0.001 0.000 0.296 498 W C 1.514 178.029 176.519 -0.006 0.000 1.202 498 W CA 0.708 58.055 57.345 0.003 0.000 1.312 498 W CB -1.093 28.413 29.460 0.077 0.000 1.120 498 W HN -0.047 nan 8.180 nan 0.000 0.536 499 S N 0.912 115.780 115.700 -1.386 0.000 2.442 499 S HA -0.168 4.302 4.470 0.001 0.000 0.236 499 S C 1.148 175.424 174.600 -0.539 0.000 1.007 499 S CA 0.896 58.312 58.200 -1.307 0.000 0.965 499 S CB -0.730 61.645 63.200 -1.375 0.000 0.773 499 S HN 0.461 nan 8.310 nan 0.000 0.504 500 Q N 1.550 121.126 119.800 -0.374 0.000 2.824 500 Q HA 0.415 4.756 4.340 0.001 0.000 0.371 500 Q C -1.310 174.597 176.000 -0.154 0.000 1.071 500 Q CA -0.187 55.487 55.803 -0.214 0.000 1.064 500 Q CB 0.404 29.038 28.738 -0.172 0.000 1.332 500 Q HN 0.316 nan 8.270 nan 0.000 0.445 501 D N -0.125 120.190 120.400 -0.142 0.000 2.548 501 D HA -0.005 4.636 4.640 0.001 0.000 0.214 501 D C 0.757 177.001 176.300 -0.093 0.000 1.345 501 D CA -0.059 53.872 54.000 -0.115 0.000 0.945 501 D CB 1.369 42.091 40.800 -0.130 0.000 1.499 501 D HN 0.254 nan 8.370 nan 0.000 0.579 502 S N 3.138 118.793 115.700 -0.076 0.000 2.420 502 S HA -0.182 4.289 4.470 0.001 0.000 0.237 502 S C 1.188 175.767 174.600 -0.035 0.000 1.023 502 S CA 0.885 59.056 58.200 -0.048 0.000 0.991 502 S CB 0.007 63.181 63.200 -0.043 0.000 0.792 502 S HN 0.462 nan 8.310 nan 0.000 0.488 503 N N 1.116 119.770 118.700 -0.076 0.000 2.373 503 N HA 0.188 4.929 4.740 0.001 0.000 0.181 503 N C 1.130 176.586 175.510 -0.091 0.000 1.082 503 N CA 0.544 53.545 53.050 -0.081 0.000 0.885 503 N CB 0.143 38.548 38.487 -0.137 0.000 0.977 503 N HN 0.612 nan 8.380 nan 0.000 0.462 504 K N -0.435 119.901 120.400 -0.106 0.000 2.435 504 K HA 0.133 4.454 4.320 0.001 0.000 0.199 504 K C 1.727 178.509 176.600 0.302 0.000 1.153 504 K CA 0.156 56.407 56.287 -0.060 0.000 0.974 504 K CB 0.457 32.763 32.500 -0.323 0.000 0.997 504 K HN 0.014 nan 8.250 nan 0.000 0.547 505 S N 2.230 118.038 115.700 0.180 0.000 2.420 505 S HA -0.180 4.291 4.470 0.001 0.000 0.237 505 S C 1.436 176.238 174.600 0.337 0.000 1.023 505 S CA 1.785 60.094 58.200 0.181 0.000 0.991 505 S CB -0.403 62.794 63.200 -0.005 0.000 0.792 505 S HN 0.345 nan 8.310 nan 0.000 0.488 506 D N 0.173 120.748 120.400 0.291 0.000 2.339 506 D HA 0.150 4.791 4.640 0.001 0.000 0.217 506 D C -0.254 176.230 176.300 0.307 0.000 1.050 506 D CA -0.100 54.056 54.000 0.261 0.000 0.856 506 D CB -0.207 40.697 40.800 0.174 0.000 0.922 506 D HN 0.344 nan 8.370 nan 0.000 0.518 507 D N 0.444 121.091 120.400 0.412 0.000 2.402 507 D HA 0.061 4.702 4.640 0.001 0.000 0.252 507 D C 0.764 177.144 176.300 0.134 0.000 1.294 507 D CA -0.358 53.859 54.000 0.362 0.000 0.948 507 D CB 1.660 42.660 40.800 0.332 0.000 1.202 507 D HN -0.077 nan 8.370 nan 0.000 0.561 508 S N 3.172 118.832 115.700 -0.066 0.000 2.603 508 S HA -0.044 4.427 4.470 0.001 0.000 0.229 508 S C 1.503 175.500 174.600 -1.006 0.000 0.972 508 S CA 0.208 57.918 58.200 -0.817 0.000 0.935 508 S CB -0.039 62.953 63.200 -0.347 0.000 0.769 508 S HN 0.434 nan 8.310 nan 0.000 0.536 509 R N -0.444 119.458 120.500 -0.997 0.000 2.237 509 R HA 0.040 4.380 4.340 0.001 0.000 0.219 509 R C 1.062 176.626 176.300 -1.226 0.000 1.080 509 R CA 1.264 56.593 56.100 -1.285 0.000 0.995 509 R CB -0.267 29.364 30.300 -1.115 0.000 0.875 509 R HN 0.593 nan 8.270 nan 0.000 0.462 510 W N 0.160 121.032 121.300 -0.712 0.000 2.825 510 W HA 0.056 4.717 4.660 0.001 0.000 0.243 510 W C 2.135 178.389 176.519 -0.442 0.000 1.293 510 W CA 0.448 57.543 57.345 -0.418 0.000 1.403 510 W CB 0.073 29.465 29.460 -0.113 0.000 1.134 510 W HN 0.135 nan 8.180 nan 0.000 0.666 511 A N 0.185 122.593 122.820 -0.687 0.000 1.930 511 A HA -0.190 4.130 4.320 0.001 0.000 0.217 511 A C 1.605 179.104 177.584 -0.142 0.000 1.175 511 A CA 1.581 53.311 52.037 -0.511 0.000 0.627 511 A CB -1.137 17.436 19.000 -0.711 0.000 0.815 511 A HN 0.589 nan 8.150 nan 0.000 0.443 512 H N -2.003 116.977 119.070 -0.150 0.000 2.537 512 H HA 0.405 4.961 4.556 0.001 0.000 0.295 512 H C -0.210 175.193 175.328 0.126 0.000 1.054 512 H CA -0.227 55.803 56.048 -0.029 0.000 1.156 512 H CB -0.091 29.584 29.762 -0.145 0.000 1.468 512 H HN 0.350 nan 8.280 nan 0.000 0.551 513 R N 2.230 122.822 120.500 0.153 0.000 2.835 513 R HA 0.260 4.600 4.340 0.001 0.000 0.290 513 R C -2.698 173.750 176.300 0.247 0.000 1.410 513 R CA -1.471 54.770 56.100 0.235 0.000 1.590 513 R CB 1.076 31.332 30.300 -0.073 0.000 1.288 513 R HN 0.350 nan 8.270 nan 0.000 0.637 514 P HA 0.206 nan 4.420 nan 0.000 0.278 514 P C -0.441 176.997 177.300 0.229 0.000 1.266 514 P CA -0.536 62.703 63.100 0.231 0.000 0.807 514 P CB 1.128 32.959 31.700 0.218 0.000 1.094 515 R N -0.692 119.920 120.500 0.187 0.000 2.652 515 R HA 0.180 4.520 4.340 0.001 0.000 0.271 515 R C 0.098 176.518 176.300 0.199 0.000 1.129 515 R CA -0.487 55.723 56.100 0.184 0.000 1.200 515 R CB -0.162 30.215 30.300 0.128 0.000 1.146 515 R HN 0.475 nan 8.270 nan 0.000 0.581 516 Y N 1.697 121.999 120.300 0.004 0.000 2.677 516 Y HA -0.106 4.445 4.550 0.001 0.000 0.335 516 Y C 0.191 176.071 175.900 -0.034 0.000 1.162 516 Y CA 0.295 58.314 58.100 -0.135 0.000 1.483 516 Y CB 0.110 38.292 38.460 -0.463 0.000 1.209 516 Y HN 0.354 nan 8.280 nan 0.000 0.528 517 N N 6.379 124.986 118.700 -0.155 0.000 2.439 517 N HA -0.017 4.724 4.740 0.001 0.000 0.243 517 N C 0.629 176.046 175.510 -0.155 0.000 1.088 517 N CA 0.039 53.043 53.050 -0.078 0.000 0.940 517 N CB 0.600 39.067 38.487 -0.032 0.000 1.180 517 N HN 0.803 nan 8.380 nan 0.000 0.505 518 E N 2.541 122.721 120.200 -0.033 0.000 2.085 518 E HA -0.181 4.170 4.350 0.001 0.000 0.194 518 E C 1.442 178.040 176.600 -0.004 0.000 0.994 518 E CA 1.051 57.469 56.400 0.029 0.000 0.801 518 E CB -0.100 29.645 29.700 0.076 0.000 0.743 518 E HN 0.709 nan 8.360 nan 0.000 0.453 519 A N 1.101 123.912 122.820 -0.016 0.000 1.902 519 A HA -0.121 4.200 4.320 0.001 0.000 0.217 519 A C 2.360 179.913 177.584 -0.053 0.000 1.181 519 A CA 1.042 53.065 52.037 -0.024 0.000 0.623 519 A CB -0.598 18.392 19.000 -0.016 0.000 0.818 519 A HN 0.167 nan 8.150 nan 0.000 0.443 520 L N -2.585 118.584 121.223 -0.089 0.000 2.179 520 L HA -0.104 4.237 4.340 0.001 0.000 0.208 520 L C 2.374 179.092 176.870 -0.254 0.000 1.096 520 L CA 0.952 55.695 54.840 -0.161 0.000 0.779 520 L CB -0.444 41.498 42.059 -0.195 0.000 0.922 520 L HN 0.452 nan 8.230 nan 0.000 0.443 521 Y N -0.271 119.866 120.300 -0.272 0.000 2.439 521 Y HA -0.071 4.480 4.550 0.001 0.000 0.292 521 Y C 2.473 178.238 175.900 -0.226 0.000 1.130 521 Y CA 0.822 58.727 58.100 -0.325 0.000 1.254 521 Y CB -0.099 38.043 38.460 -0.530 0.000 1.000 521 Y HN 0.110 nan 8.280 nan 0.000 0.554 522 A N -0.753 122.051 122.820 -0.026 0.000 2.208 522 A HA -0.053 4.268 4.320 0.001 0.000 0.209 522 A C 1.680 179.236 177.584 -0.048 0.000 1.161 522 A CA 0.648 52.667 52.037 -0.030 0.000 0.782 522 A CB -0.180 18.810 19.000 -0.016 0.000 0.816 522 A HN 0.474 nan 8.150 nan 0.000 0.477 523 Q N -0.744 119.013 119.800 -0.072 0.000 2.247 523 Q HA 0.038 4.379 4.340 0.001 0.000 0.211 523 Q C 1.731 177.688 176.000 -0.071 0.000 0.861 523 Q CA 0.130 55.896 55.803 -0.061 0.000 0.949 523 Q CB 0.251 28.955 28.738 -0.057 0.000 1.115 523 Q HN 0.830 nan 8.270 nan 0.000 0.507 524 R N 0.277 120.700 120.500 -0.129 0.000 2.193 524 R HA -0.055 4.285 4.340 0.001 0.000 0.229 524 R C 0.811 177.084 176.300 -0.044 0.000 1.110 524 R CA 1.296 57.294 56.100 -0.170 0.000 0.988 524 R CB -0.052 29.954 30.300 -0.491 0.000 0.871 524 R HN 0.086 nan 8.270 nan 0.000 0.458 525 N N 0.490 119.175 118.700 -0.025 0.000 2.236 525 N HA -0.011 4.730 4.740 0.001 0.000 0.196 525 N C -0.865 174.667 175.510 0.036 0.000 1.114 525 N CA 0.099 53.173 53.050 0.040 0.000 0.859 525 N CB 0.471 38.976 38.487 0.030 0.000 0.982 525 N HN 0.216 nan 8.380 nan 0.000 0.493 526 D N 1.729 122.140 120.400 0.019 0.000 2.412 526 D HA 0.164 4.805 4.640 0.001 0.000 0.224 526 D C -1.650 174.661 176.300 0.018 0.000 1.093 526 D CA -2.125 51.883 54.000 0.013 0.000 0.850 526 D CB 1.749 42.549 40.800 -0.000 0.000 1.046 526 D HN 0.028 nan 8.370 nan 0.000 0.507 527 P HA -0.010 nan 4.420 nan 0.000 0.242 527 P C 0.515 177.819 177.300 0.006 0.000 1.197 527 P CA 0.272 63.381 63.100 0.015 0.000 0.765 527 P CB 0.490 32.197 31.700 0.010 0.000 0.936 528 S N -0.954 114.748 115.700 0.004 0.000 2.503 528 S HA 0.039 4.510 4.470 0.001 0.000 0.215 528 S C 1.156 175.755 174.600 -0.002 0.000 1.003 528 S CA 0.250 58.449 58.200 -0.001 0.000 0.910 528 S CB -0.250 62.950 63.200 -0.001 0.000 0.790 528 S HN 0.393 nan 8.310 nan 0.000 0.514 529 T N -0.672 113.881 114.554 -0.002 0.000 2.934 529 T HA 0.742 5.093 4.350 0.001 0.000 0.283 529 T C 1.264 175.963 174.700 -0.003 0.000 1.005 529 T CA -0.263 61.834 62.100 -0.005 0.000 1.041 529 T CB 1.603 70.464 68.868 -0.012 0.000 1.042 529 T HN -0.020 nan 8.240 nan 0.000 0.505 530 A N 1.197 124.015 122.820 -0.004 0.000 1.933 530 A HA 0.231 4.552 4.320 0.001 0.000 0.218 530 A C 2.555 180.140 177.584 0.001 0.000 1.175 530 A CA 1.594 53.631 52.037 0.001 0.000 0.628 530 A CB -1.437 17.565 19.000 0.004 0.000 0.814 530 A HN 1.217 nan 8.150 nan 0.000 0.444 531 A N -0.532 122.278 122.820 -0.016 0.000 1.930 531 A HA 0.151 4.472 4.320 0.001 0.000 0.217 531 A C 2.349 179.938 177.584 0.009 0.000 1.175 531 A CA 1.826 53.841 52.037 -0.036 0.000 0.627 531 A CB -1.193 17.751 19.000 -0.093 0.000 0.815 531 A HN 0.682 nan 8.150 nan 0.000 0.443 532 G N -1.131 107.680 108.800 0.018 0.000 2.421 532 G HA2 -0.121 3.840 3.960 0.001 0.000 0.217 532 G HA3 -0.121 3.840 3.960 0.001 0.000 0.217 532 G C 1.579 176.527 174.900 0.079 0.000 1.143 532 G CA 0.854 45.992 45.100 0.063 0.000 0.784 532 G HN 0.606 nan 8.290 nan 0.000 0.541 533 Q N -0.320 119.503 119.800 0.039 0.000 2.119 533 Q HA 0.070 4.410 4.340 0.001 0.000 0.201 533 Q C 2.489 178.501 176.000 0.021 0.000 0.972 533 Q CA 0.859 56.675 55.803 0.022 0.000 0.847 533 Q CB -0.115 28.627 28.738 0.006 0.000 0.903 533 Q HN 0.525 nan 8.270 nan 0.000 0.433 534 I N -0.796 119.794 120.570 0.032 0.000 2.233 534 I HA -0.247 3.924 4.170 0.001 0.000 0.243 534 I C 2.090 178.223 176.117 0.026 0.000 1.093 534 I CA 0.926 62.240 61.300 0.023 0.000 1.380 534 I CB -0.237 37.781 38.000 0.030 0.000 1.067 534 I HN 0.192 nan 8.210 nan 0.000 0.413 535 Y N 1.901 122.183 120.300 -0.030 0.000 2.089 535 Y HA -0.303 4.248 4.550 0.001 0.000 0.282 535 Y C 2.660 178.569 175.900 0.014 0.000 1.139 535 Y CA 1.788 59.886 58.100 -0.003 0.000 1.123 535 Y CB -0.372 38.097 38.460 0.015 0.000 0.980 535 Y HN 0.135 nan 8.280 nan 0.000 0.493 536 Q N -0.690 119.126 119.800 0.028 0.000 2.226 536 Q HA -0.118 4.223 4.340 0.001 0.000 0.204 536 Q C 2.414 178.372 176.000 -0.068 0.000 0.975 536 Q CA 1.078 56.861 55.803 -0.033 0.000 0.866 536 Q CB -0.438 28.332 28.738 0.053 0.000 0.915 536 Q HN 0.672 nan 8.270 nan 0.000 0.440 537 G N 0.558 109.323 108.800 -0.059 0.000 2.394 537 G HA2 -0.195 3.766 3.960 0.001 0.000 0.214 537 G HA3 -0.195 3.766 3.960 0.001 0.000 0.214 537 G C 1.289 176.141 174.900 -0.080 0.000 1.176 537 G CA 0.364 45.431 45.100 -0.054 0.000 0.786 537 G HN 0.129 nan 8.290 nan 0.000 0.533 538 L N 0.046 121.187 121.223 -0.135 0.000 2.109 538 L HA 0.201 4.542 4.340 0.001 0.000 0.207 538 L C 2.721 179.472 176.870 -0.197 0.000 1.086 538 L CA 1.027 55.765 54.840 -0.170 0.000 0.760 538 L CB -0.390 41.527 42.059 -0.236 0.000 0.910 538 L HN 0.098 nan 8.230 nan 0.000 0.437 539 R N -1.179 119.139 120.500 -0.304 0.000 2.096 539 R HA -0.214 4.127 4.340 0.001 0.000 0.235 539 R C 2.395 178.630 176.300 -0.109 0.000 1.127 539 R CA 1.480 57.400 56.100 -0.299 0.000 0.968 539 R CB -0.528 29.464 30.300 -0.513 0.000 0.861 539 R HN 0.461 nan 8.270 nan 0.000 0.440 540 H N -0.375 118.602 119.070 -0.154 0.000 2.357 540 H HA 0.014 4.571 4.556 0.001 0.000 0.301 540 H C 1.713 176.995 175.328 -0.075 0.000 1.082 540 H CA 2.355 58.344 56.048 -0.097 0.000 1.342 540 H CB -0.066 29.634 29.762 -0.103 0.000 1.389 540 H HN 0.173 nan 8.280 nan 0.000 0.511 541 M N -0.704 118.773 119.600 -0.207 0.000 2.229 541 M HA -0.082 4.399 4.480 0.001 0.000 0.264 541 M C 2.192 178.467 176.300 -0.042 0.000 1.063 541 M CA 1.317 56.520 55.300 -0.161 0.000 1.114 541 M CB -0.065 32.468 32.600 -0.112 0.000 1.387 541 M HN 0.288 nan 8.290 nan 0.000 0.420 542 I N 0.090 120.614 120.570 -0.078 0.000 2.286 542 I HA -0.205 3.965 4.170 0.001 0.000 0.245 542 I C 2.723 178.783 176.117 -0.094 0.000 1.104 542 I CA 1.058 62.313 61.300 -0.075 0.000 1.397 542 I CB -0.481 37.475 38.000 -0.073 0.000 1.072 542 I HN 0.217 nan 8.210 nan 0.000 0.417 543 A N 0.367 123.131 122.820 -0.092 0.000 1.902 543 A HA -0.150 4.171 4.320 0.001 0.000 0.217 543 A C 2.422 179.953 177.584 -0.088 0.000 1.181 543 A CA 1.732 53.730 52.037 -0.064 0.000 0.623 543 A CB -0.922 18.067 19.000 -0.019 0.000 0.818 543 A HN 0.236 nan 8.150 nan 0.000 0.443 544 V N 0.058 119.878 119.914 -0.156 0.000 2.358 544 V HA -0.226 3.895 4.120 0.001 0.000 0.246 544 V C 2.657 178.569 176.094 -0.303 0.000 1.047 544 V CA 2.160 64.377 62.300 -0.139 0.000 1.035 544 V CB -0.790 30.981 31.823 -0.087 0.000 0.658 544 V HN 0.668 nan 8.190 nan 0.000 0.452 545 R N -0.017 120.192 120.500 -0.486 0.000 2.083 545 R HA -0.214 4.127 4.340 0.001 0.000 0.237 545 R C 2.320 178.452 176.300 -0.281 0.000 1.137 545 R CA 2.030 57.692 56.100 -0.729 0.000 0.951 545 R CB -0.207 29.790 30.300 -0.506 0.000 0.851 545 R HN 0.598 nan 8.270 nan 0.000 0.434 546 Q N -0.310 119.403 119.800 -0.146 0.000 2.172 546 Q HA -0.082 4.259 4.340 0.001 0.000 0.200 546 Q C 2.092 178.089 176.000 -0.006 0.000 0.964 546 Q CA 1.775 57.549 55.803 -0.049 0.000 0.855 546 Q CB 0.192 28.913 28.738 -0.028 0.000 0.918 546 Q HN 0.463 nan 8.270 nan 0.000 0.444 547 S N -0.096 115.602 115.700 -0.003 0.000 2.456 547 S HA 0.011 4.482 4.470 0.001 0.000 0.224 547 S C 0.876 175.519 174.600 0.072 0.000 1.035 547 S CA -0.210 58.011 58.200 0.036 0.000 0.940 547 S CB 0.056 63.279 63.200 0.038 0.000 0.799 547 S HN 0.120 nan 8.310 nan 0.000 0.508 548 N N 3.278 122.043 118.700 0.109 0.000 2.414 548 N HA 0.296 5.036 4.740 0.001 0.000 0.256 548 N C -2.044 173.606 175.510 0.233 0.000 1.029 548 N CA -1.864 51.308 53.050 0.203 0.000 0.948 548 N CB 1.738 40.439 38.487 0.357 0.000 1.102 548 N HN 0.124 nan 8.380 nan 0.000 0.496 549 P HA -0.034 nan 4.420 nan 0.000 0.234 549 P C 0.551 177.878 177.300 0.045 0.000 1.167 549 P CA 0.637 63.790 63.100 0.088 0.000 0.763 549 P CB 0.406 32.135 31.700 0.049 0.000 0.835 550 R N -1.282 119.214 120.500 -0.006 0.000 2.280 550 R HA 0.059 4.399 4.340 0.001 0.000 0.207 550 R C 1.300 177.372 176.300 -0.380 0.000 1.043 550 R CA 0.798 56.765 56.100 -0.223 0.000 1.006 550 R CB -0.496 29.585 30.300 -0.364 0.000 0.885 550 R HN 0.269 nan 8.270 nan 0.000 0.467 551 F N -0.089 119.797 119.950 -0.106 0.000 2.695 551 F HA 0.128 4.656 4.527 0.001 0.000 0.303 551 F C 0.664 176.421 175.800 -0.072 0.000 1.091 551 F CA -0.702 57.221 58.000 -0.128 0.000 1.300 551 F CB 0.124 39.019 39.000 -0.175 0.000 1.071 551 F HN -0.148 nan 8.300 nan 0.000 0.578 552 D N 0.614 121.072 120.400 0.098 0.000 2.443 552 D HA 0.397 5.038 4.640 0.001 0.000 0.239 552 D C 0.637 176.959 176.300 0.035 0.000 1.136 552 D CA 1.657 55.694 54.000 0.062 0.000 0.879 552 D CB 0.671 41.498 40.800 0.046 0.000 1.195 552 D HN 0.397 nan 8.370 nan 0.000 0.443 553 G N 1.613 110.433 108.800 0.034 0.000 2.757 553 G HA2 0.089 4.050 3.960 0.001 0.000 0.638 553 G HA3 0.089 4.050 3.960 0.001 0.000 0.638 553 G C 0.544 175.469 174.900 0.041 0.000 1.344 553 G CA -0.111 45.003 45.100 0.023 0.000 0.855 553 G HN 0.837 nan 8.290 nan 0.000 0.537 554 G N -0.558 108.264 108.800 0.037 0.000 3.192 554 G HA2 0.413 4.373 3.960 0.001 0.000 0.239 554 G HA3 0.413 4.373 3.960 0.001 0.000 0.239 554 G C 0.662 175.653 174.900 0.152 0.000 1.084 554 G CA 0.086 45.238 45.100 0.085 0.000 0.784 554 G HN 0.558 nan 8.290 nan 0.000 0.540 555 R N 0.428 120.985 120.500 0.095 0.000 2.459 555 R HA 0.629 4.970 4.340 0.001 0.000 0.281 555 R C -0.464 175.889 176.300 0.089 0.000 1.050 555 R CA -0.376 55.786 56.100 0.104 0.000 1.055 555 R CB 1.472 31.793 30.300 0.034 0.000 1.045 555 R HN 0.291 nan 8.270 nan 0.000 0.495 556 L N -1.974 119.300 121.223 0.085 0.000 2.479 556 L HA 0.710 5.051 4.340 0.001 0.000 0.255 556 L C -1.111 175.754 176.870 -0.008 0.000 1.026 556 L CA -1.028 53.812 54.840 -0.000 0.000 0.842 556 L CB 1.857 43.841 42.059 -0.125 0.000 1.444 556 L HN 0.192 nan 8.230 nan 0.000 0.409 557 V N 0.482 120.392 119.914 -0.006 0.000 2.577 557 V HA 0.642 4.763 4.120 0.001 0.000 0.303 557 V C 0.118 176.233 176.094 0.035 0.000 1.042 557 V CA 0.067 62.365 62.300 -0.003 0.000 0.872 557 V CB 2.049 33.879 31.823 0.012 0.000 0.998 557 V HN 1.075 nan 8.190 nan 0.000 0.423 558 T N 1.658 116.209 114.554 -0.004 0.000 2.899 558 T HA 0.590 4.941 4.350 0.001 0.000 0.295 558 T C -0.707 174.124 174.700 0.219 0.000 1.033 558 T CA -0.202 61.938 62.100 0.067 0.000 1.084 558 T CB 1.034 69.800 68.868 -0.170 0.000 0.979 558 T HN 0.395 nan 8.240 nan 0.000 0.532 559 F N 1.938 121.972 119.950 0.140 0.000 2.467 559 F HA 0.418 4.946 4.527 0.001 0.000 0.336 559 F C -0.389 175.548 175.800 0.229 0.000 1.123 559 F CA -1.463 56.622 58.000 0.142 0.000 0.964 559 F CB 1.356 40.397 39.000 0.068 0.000 1.136 559 F HN 0.504 nan 8.300 nan 0.000 0.447 560 N N 4.004 122.449 118.700 -0.426 0.000 2.399 560 N HA 0.039 4.780 4.740 0.001 0.000 0.259 560 N C 1.102 176.288 175.510 -0.541 0.000 1.160 560 N CA 0.509 53.337 53.050 -0.369 0.000 0.946 560 N CB 1.303 39.616 38.487 -0.290 0.000 1.156 560 N HN 0.789 nan 8.380 nan 0.000 0.489 561 T N -1.337 113.110 114.554 -0.178 0.000 3.043 561 T HA -0.048 4.303 4.350 0.001 0.000 0.263 561 T C 0.610 175.269 174.700 -0.070 0.000 1.094 561 T CA 0.128 62.224 62.100 -0.007 0.000 1.127 561 T CB 0.044 68.997 68.868 0.143 0.000 0.905 561 T HN 0.490 nan 8.240 nan 0.000 0.490 562 N N 1.935 120.563 118.700 -0.119 0.000 2.741 562 N HA -0.144 4.597 4.740 0.001 0.000 0.250 562 N C -0.772 174.693 175.510 -0.075 0.000 1.115 562 N CA 0.940 53.930 53.050 -0.100 0.000 0.724 562 N CB -1.662 36.780 38.487 -0.076 0.000 1.090 562 N HN 0.621 nan 8.380 nan 0.000 0.558 563 N N 0.754 119.413 118.700 -0.070 0.000 2.519 563 N HA 0.103 4.844 4.740 0.001 0.000 0.286 563 N C 0.973 176.435 175.510 -0.080 0.000 1.079 563 N CA -0.454 52.568 53.050 -0.047 0.000 0.878 563 N CB 1.056 39.540 38.487 -0.005 0.000 1.375 563 N HN 0.183 nan 8.380 nan 0.000 0.514 564 K N 2.138 122.428 120.400 -0.183 0.000 2.442 564 K HA -0.103 4.217 4.320 0.001 0.000 0.199 564 K C 0.183 176.608 176.600 -0.292 0.000 1.044 564 K CA 1.179 57.297 56.287 -0.281 0.000 0.941 564 K CB -0.025 32.252 32.500 -0.373 0.000 0.759 564 K HN 0.509 nan 8.250 nan 0.000 0.472 565 H N 0.141 119.226 119.070 0.024 0.000 2.595 565 H HA 0.290 4.847 4.556 0.001 0.000 0.265 565 H C 0.387 175.804 175.328 0.147 0.000 0.953 565 H CA 0.039 56.132 56.048 0.074 0.000 1.197 565 H CB 0.473 30.268 29.762 0.056 0.000 1.438 565 H HN 0.124 nan 8.280 nan 0.000 0.531 566 I N 1.729 122.425 120.570 0.209 0.000 2.354 566 I HA 0.150 4.321 4.170 0.001 0.000 0.292 566 I C -0.299 175.983 176.117 0.276 0.000 0.989 566 I CA -0.934 60.510 61.300 0.239 0.000 1.188 566 I CB 2.196 40.264 38.000 0.114 0.000 1.342 566 I HN -0.130 nan 8.210 nan 0.000 0.457 567 I N 4.893 125.705 120.570 0.404 0.000 2.499 567 I HA 0.705 4.876 4.170 0.001 0.000 0.296 567 I C 0.250 176.665 176.117 0.498 0.000 0.992 567 I CA 0.190 61.743 61.300 0.422 0.000 1.297 567 I CB 1.492 39.775 38.000 0.472 0.000 1.410 567 I HN 0.609 nan 8.210 nan 0.000 0.507 568 G N 6.336 115.433 108.800 0.495 0.000 2.740 568 G HA2 0.609 4.570 3.960 0.001 0.000 0.296 568 G HA3 0.609 4.570 3.960 0.001 0.000 0.296 568 G C -2.039 173.084 174.900 0.371 0.000 1.439 568 G CA -0.453 44.898 45.100 0.419 0.000 1.066 568 G HN 0.679 nan 8.290 nan 0.000 0.527 569 Y N -0.192 120.134 120.300 0.044 0.000 2.581 569 Y HA 0.775 5.326 4.550 0.001 0.000 0.337 569 Y C -1.059 174.751 175.900 -0.151 0.000 1.108 569 Y CA -1.898 56.183 58.100 -0.032 0.000 1.033 569 Y CB 1.293 39.708 38.460 -0.074 0.000 1.318 569 Y HN 0.476 nan 8.280 nan 0.000 0.459 570 I N 3.894 124.473 120.570 0.016 0.000 2.404 570 I HA 0.539 4.710 4.170 0.001 0.000 0.293 570 I C -0.623 175.450 176.117 -0.074 0.000 0.992 570 I CA -1.116 60.111 61.300 -0.121 0.000 1.149 570 I CB 1.490 39.415 38.000 -0.125 0.000 1.315 570 I HN 0.495 nan 8.210 nan 0.000 0.446 571 R N 5.161 125.560 120.500 -0.168 0.000 2.338 571 R HA 0.347 4.687 4.340 0.001 0.000 0.317 571 R C 0.160 176.346 176.300 -0.189 0.000 0.968 571 R CA -0.688 55.309 56.100 -0.172 0.000 0.849 571 R CB 0.863 30.986 30.300 -0.295 0.000 1.128 571 R HN 0.654 nan 8.270 nan 0.000 0.448 572 N N 1.827 120.455 118.700 -0.120 0.000 2.693 572 N HA -0.297 4.444 4.740 0.001 0.000 0.249 572 N C -0.141 175.311 175.510 -0.097 0.000 1.119 572 N CA 1.176 54.167 53.050 -0.099 0.000 0.717 572 N CB -0.605 37.818 38.487 -0.107 0.000 1.071 572 N HN 0.800 nan 8.380 nan 0.000 0.555 573 N N -2.070 116.571 118.700 -0.099 0.000 2.708 573 N HA -0.276 4.465 4.740 0.001 0.000 0.251 573 N C 0.431 175.875 175.510 -0.111 0.000 1.123 573 N CA 1.445 54.441 53.050 -0.091 0.000 0.739 573 N CB -1.004 37.450 38.487 -0.057 0.000 1.113 573 N HN 0.668 nan 8.380 nan 0.000 0.561 574 A N -1.666 121.064 122.820 -0.151 0.000 2.474 574 A HA 0.374 4.695 4.320 0.001 0.000 0.221 574 A C -0.163 177.290 177.584 -0.220 0.000 1.298 574 A CA -0.097 51.845 52.037 -0.158 0.000 1.008 574 A CB 0.695 19.616 19.000 -0.132 0.000 1.217 574 A HN 0.193 nan 8.150 nan 0.000 0.553 575 L N 1.555 122.597 121.223 -0.302 0.000 2.406 575 L HA 0.559 4.899 4.340 0.001 0.000 0.270 575 L C -1.838 174.785 176.870 -0.412 0.000 0.982 575 L CA -0.578 54.024 54.840 -0.397 0.000 0.843 575 L CB 1.490 43.153 42.059 -0.661 0.000 1.225 575 L HN 0.246 nan 8.230 nan 0.000 0.412 576 L N 5.333 126.309 121.223 -0.412 0.000 2.255 576 L HA 0.678 5.019 4.340 0.001 0.000 0.289 576 L C -0.125 176.369 176.870 -0.626 0.000 1.046 576 L CA -0.034 54.463 54.840 -0.572 0.000 0.816 576 L CB 1.270 42.939 42.059 -0.650 0.000 1.197 576 L HN 0.690 nan 8.230 nan 0.000 0.427 577 A N 4.924 127.296 122.820 -0.746 0.000 2.292 577 A HA 0.760 5.080 4.320 0.001 0.000 0.319 577 A C -1.217 176.005 177.584 -0.604 0.000 1.206 577 A CA -0.326 51.337 52.037 -0.623 0.000 0.835 577 A CB 0.268 18.714 19.000 -0.923 0.000 1.164 577 A HN 0.552 nan 8.150 nan 0.000 0.505 578 F N 0.864 120.780 119.950 -0.056 0.000 2.520 578 F HA 0.687 5.215 4.527 0.001 0.000 0.322 578 F C 0.680 176.522 175.800 0.071 0.000 1.103 578 F CA -0.949 57.065 58.000 0.023 0.000 0.926 578 F CB 2.736 41.757 39.000 0.035 0.000 1.154 578 F HN 0.689 nan 8.300 nan 0.000 0.453 579 G N 2.116 111.134 108.800 0.363 0.000 2.753 579 G HA2 0.277 4.237 3.960 0.001 0.000 0.282 579 G HA3 0.277 4.237 3.960 0.001 0.000 0.282 579 G C -1.624 173.406 174.900 0.217 0.000 1.512 579 G CA -0.700 44.535 45.100 0.225 0.000 1.076 579 G HN 0.450 nan 8.290 nan 0.000 0.545 580 N N 1.805 120.540 118.700 0.059 0.000 2.411 580 N HA 0.264 5.005 4.740 0.001 0.000 0.259 580 N C -0.097 175.391 175.510 -0.036 0.000 1.103 580 N CA -0.812 52.263 53.050 0.042 0.000 0.954 580 N CB 0.490 38.939 38.487 -0.063 0.000 1.085 580 N HN 0.301 nan 8.380 nan 0.000 0.485 581 F N 0.809 120.797 119.950 0.063 0.000 2.639 581 F HA 0.237 4.764 4.527 0.001 0.000 0.300 581 F C 1.272 177.045 175.800 -0.044 0.000 1.109 581 F CA -0.246 57.830 58.000 0.127 0.000 1.335 581 F CB 0.310 39.417 39.000 0.179 0.000 1.014 581 F HN 0.310 nan 8.300 nan 0.000 0.537 582 S N 0.394 115.954 115.700 -0.234 0.000 2.638 582 S HA 0.186 4.657 4.470 0.001 0.000 0.298 582 S C 1.000 174.974 174.600 -1.043 0.000 1.111 582 S CA -0.654 57.271 58.200 -0.458 0.000 1.027 582 S CB 0.923 63.877 63.200 -0.409 0.000 1.064 582 S HN 0.406 nan 8.310 nan 0.000 0.525 583 E N 1.906 121.515 120.200 -0.986 0.000 2.465 583 E HA 0.046 4.397 4.350 0.001 0.000 0.191 583 E C -0.905 175.168 176.600 -0.879 0.000 1.053 583 E CA 0.166 55.855 56.400 -1.185 0.000 0.869 583 E CB -0.134 28.979 29.700 -0.980 0.000 0.977 583 E HN 0.611 nan 8.360 nan 0.000 0.483 584 Y N 0.390 120.479 120.300 -0.351 0.000 2.562 584 Y HA 0.472 5.023 4.550 0.001 0.000 0.343 584 Y C -2.349 173.429 175.900 -0.204 0.000 1.025 584 Y CA -3.325 54.651 58.100 -0.206 0.000 1.082 584 Y CB 1.002 39.357 38.460 -0.175 0.000 1.264 584 Y HN -0.192 nan 8.280 nan 0.000 0.478 585 P HA 0.141 nan 4.420 nan 0.000 0.271 585 P C -0.890 176.392 177.300 -0.030 0.000 1.220 585 P CA -0.056 63.032 63.100 -0.019 0.000 0.768 585 P CB 0.594 32.293 31.700 -0.003 0.000 0.848 586 Q N 1.542 121.312 119.800 -0.049 0.000 2.377 586 Q HA 0.515 4.856 4.340 0.001 0.000 0.271 586 Q C -0.500 175.471 176.000 -0.048 0.000 1.077 586 Q CA -0.330 55.453 55.803 -0.033 0.000 0.820 586 Q CB 2.077 30.809 28.738 -0.010 0.000 1.347 586 Q HN 0.297 nan 8.270 nan 0.000 0.444 587 T N 0.483 115.012 114.554 -0.041 0.000 2.829 587 T HA 0.517 4.868 4.350 0.001 0.000 0.280 587 T C -0.327 174.320 174.700 -0.088 0.000 0.999 587 T CA -0.526 61.534 62.100 -0.067 0.000 0.983 587 T CB 1.428 70.269 68.868 -0.045 0.000 0.968 587 T HN 0.229 nan 8.240 nan 0.000 0.446 588 V N 3.978 123.806 119.914 -0.143 0.000 2.328 588 V HA 0.351 4.471 4.120 0.001 0.000 0.278 588 V C 1.074 177.126 176.094 -0.070 0.000 1.021 588 V CA -0.989 61.220 62.300 -0.152 0.000 0.838 588 V CB 0.776 32.379 31.823 -0.367 0.000 0.999 588 V HN 1.147 nan 8.190 nan 0.000 0.447 589 T N 2.517 117.061 114.554 -0.017 0.000 2.795 589 T HA 0.293 4.643 4.350 0.001 0.000 0.314 589 T C 1.493 176.217 174.700 0.040 0.000 1.069 589 T CA 0.252 62.361 62.100 0.015 0.000 1.071 589 T CB 1.194 70.086 68.868 0.040 0.000 0.988 589 T HN 0.773 nan 8.240 nan 0.000 0.543 590 A N 0.246 123.086 122.820 0.033 0.000 1.972 590 A HA -0.120 4.201 4.320 0.001 0.000 0.219 590 A C 2.321 179.930 177.584 0.041 0.000 1.169 590 A CA 1.584 53.630 52.037 0.015 0.000 0.635 590 A CB -1.266 17.730 19.000 -0.007 0.000 0.810 590 A HN 1.076 nan 8.150 nan 0.000 0.446 591 H N -0.017 119.059 119.070 0.009 0.000 2.353 591 H HA -0.091 4.466 4.556 0.001 0.000 0.300 591 H C 1.866 177.222 175.328 0.046 0.000 1.090 591 H CA 2.000 58.060 56.048 0.021 0.000 1.327 591 H CB -0.057 29.710 29.762 0.007 0.000 1.383 591 H HN 0.438 nan 8.280 nan 0.000 0.508 592 T N 1.011 115.663 114.554 0.164 0.000 2.915 592 T HA -0.024 4.326 4.350 0.001 0.000 0.269 592 T C 2.007 176.856 174.700 0.249 0.000 1.071 592 T CA 0.659 62.855 62.100 0.160 0.000 1.132 592 T CB -0.025 68.921 68.868 0.129 0.000 0.878 592 T HN 0.235 nan 8.240 nan 0.000 0.479 593 L N 0.875 122.212 121.223 0.191 0.000 2.611 593 L HA 0.189 4.530 4.340 0.001 0.000 0.229 593 L C 2.328 179.253 176.870 0.090 0.000 1.137 593 L CA 0.093 55.046 54.840 0.188 0.000 0.901 593 L CB -0.357 41.775 42.059 0.123 0.000 1.098 593 L HN 0.226 nan 8.230 nan 0.000 0.456 594 Q N 0.543 120.365 119.800 0.037 0.000 2.152 594 Q HA -0.216 4.124 4.340 0.001 0.000 0.206 594 Q C 2.332 178.364 176.000 0.053 0.000 0.985 594 Q CA 1.811 57.617 55.803 0.004 0.000 0.863 594 Q CB -0.137 28.549 28.738 -0.088 0.000 0.904 594 Q HN 0.624 nan 8.270 nan 0.000 0.422 595 A N -0.243 122.624 122.820 0.078 0.000 2.119 595 A HA 0.003 4.324 4.320 0.001 0.000 0.216 595 A C 0.862 178.484 177.584 0.064 0.000 1.152 595 A CA 0.342 52.426 52.037 0.079 0.000 0.708 595 A CB 0.081 19.143 19.000 0.104 0.000 0.805 595 A HN 0.158 nan 8.150 nan 0.000 0.460 596 M N 0.961 120.594 119.600 0.055 0.000 2.255 596 M HA 0.285 4.765 4.480 0.001 0.000 0.336 596 M C -2.289 174.054 176.300 0.072 0.000 1.135 596 M CA -2.659 52.652 55.300 0.018 0.000 1.145 596 M CB -0.189 32.397 32.600 -0.024 0.000 1.473 596 M HN 0.026 nan 8.290 nan 0.000 0.462 597 P HA 0.057 nan 4.420 nan 0.000 0.272 597 P C 0.572 177.997 177.300 0.210 0.000 1.230 597 P CA -0.197 62.986 63.100 0.138 0.000 0.788 597 P CB 0.525 32.273 31.700 0.080 0.000 0.949 598 F N 0.642 120.596 119.950 0.007 0.000 2.120 598 F HA -0.132 4.396 4.527 0.001 0.000 0.300 598 F C 1.525 177.337 175.800 0.020 0.000 1.095 598 F CA 1.796 59.804 58.000 0.014 0.000 1.249 598 F CB -0.267 38.740 39.000 0.012 0.000 0.995 598 F HN 0.247 nan 8.300 nan 0.000 0.480 599 K N -0.994 119.523 120.400 0.195 0.000 2.371 599 K HA 0.714 5.035 4.320 0.001 0.000 0.251 599 K C -1.170 175.486 176.600 0.094 0.000 0.934 599 K CA -0.714 55.644 56.287 0.117 0.000 0.798 599 K CB 2.379 34.951 32.500 0.119 0.000 1.204 599 K HN -0.093 nan 8.250 nan 0.000 0.427 600 A N 1.704 124.574 122.820 0.084 0.000 2.455 600 A HA 0.336 4.657 4.320 0.001 0.000 0.300 600 A C -1.715 175.941 177.584 0.121 0.000 1.040 600 A CA -0.663 51.424 52.037 0.084 0.000 0.697 600 A CB 0.907 19.930 19.000 0.040 0.000 1.265 600 A HN 0.831 nan 8.150 nan 0.000 0.407 601 H N 1.229 120.323 119.070 0.040 0.000 2.690 601 H HA 0.457 5.014 4.556 0.001 0.000 0.314 601 H C -0.659 174.713 175.328 0.073 0.000 1.069 601 H CA 0.272 56.352 56.048 0.055 0.000 1.436 601 H CB 0.898 30.694 29.762 0.055 0.000 1.462 601 H HN 0.591 nan 8.280 nan 0.000 0.511 602 D N 4.173 124.370 120.400 -0.338 0.000 2.280 602 D HA 0.060 4.701 4.640 0.001 0.000 0.243 602 D C 0.664 176.713 176.300 -0.420 0.000 1.129 602 D CA -0.286 53.567 54.000 -0.245 0.000 0.848 602 D CB 0.768 41.516 40.800 -0.088 0.000 1.107 602 D HN 0.664 nan 8.370 nan 0.000 0.471 603 L N 3.880 125.008 121.223 -0.158 0.000 2.395 603 L HA -0.030 4.311 4.340 0.001 0.000 0.218 603 L C 1.686 178.617 176.870 0.102 0.000 1.130 603 L CA 0.133 54.979 54.840 0.010 0.000 0.826 603 L CB -0.147 42.072 42.059 0.266 0.000 0.941 603 L HN 0.572 nan 8.230 nan 0.000 0.451 604 I N -0.115 120.445 120.570 -0.017 0.000 2.270 604 I HA -0.031 4.140 4.170 0.001 0.000 0.239 604 I C 2.495 178.614 176.117 0.002 0.000 1.080 604 I CA 1.651 62.916 61.300 -0.059 0.000 1.383 604 I CB -1.590 36.238 38.000 -0.287 0.000 1.097 604 I HN 0.172 nan 8.210 nan 0.000 0.420 605 G N -0.664 108.109 108.800 -0.046 0.000 2.494 605 G HA2 0.179 4.139 3.960 0.001 0.000 0.216 605 G HA3 0.179 4.139 3.960 0.001 0.000 0.216 605 G C 1.405 176.291 174.900 -0.023 0.000 1.140 605 G CA 0.826 45.899 45.100 -0.046 0.000 0.801 605 G HN 0.602 nan 8.290 nan 0.000 0.536 606 G N -0.557 108.236 108.800 -0.013 0.000 2.175 606 G HA2 -0.237 3.724 3.960 0.001 0.000 0.244 606 G HA3 -0.237 3.724 3.960 0.001 0.000 0.244 606 G C 0.535 175.521 174.900 0.144 0.000 0.982 606 G CA 0.379 45.526 45.100 0.079 0.000 0.641 606 G HN 0.466 nan 8.290 nan 0.000 0.527 607 K N 0.960 121.400 120.400 0.067 0.000 2.098 607 K HA 0.547 4.868 4.320 0.001 0.000 0.257 607 K C 0.073 176.754 176.600 0.134 0.000 0.999 607 K CA -0.133 56.210 56.287 0.093 0.000 0.924 607 K CB 0.842 33.370 32.500 0.046 0.000 1.028 607 K HN 0.117 nan 8.250 nan 0.000 0.466 608 T N 1.440 116.079 114.554 0.140 0.000 2.728 608 T HA 0.259 4.610 4.350 0.001 0.000 0.296 608 T C 0.073 174.824 174.700 0.084 0.000 0.940 608 T CA -0.609 61.577 62.100 0.143 0.000 1.013 608 T CB 0.536 69.476 68.868 0.120 0.000 0.912 608 T HN 0.122 nan 8.240 nan 0.000 0.484 609 V N 3.414 123.372 119.914 0.073 0.000 2.481 609 V HA 0.347 4.467 4.120 0.001 0.000 0.286 609 V C 0.506 176.624 176.094 0.039 0.000 1.042 609 V CA -0.780 61.549 62.300 0.048 0.000 0.928 609 V CB 1.736 33.587 31.823 0.046 0.000 0.986 609 V HN 0.878 nan 8.190 nan 0.000 0.462 610 S N 4.780 120.488 115.700 0.013 0.000 2.465 610 S HA 0.447 4.918 4.470 0.001 0.000 0.279 610 S C 0.704 175.272 174.600 -0.054 0.000 1.201 610 S CA -0.480 57.706 58.200 -0.024 0.000 1.053 610 S CB 0.642 63.816 63.200 -0.044 0.000 0.953 610 S HN 0.594 nan 8.310 nan 0.000 0.488 611 L N 3.233 124.410 121.223 -0.078 0.000 2.667 611 L HA 0.147 4.487 4.340 0.001 0.000 0.232 611 L C 1.668 178.435 176.870 -0.172 0.000 1.138 611 L CA -0.072 54.725 54.840 -0.071 0.000 0.921 611 L CB -0.236 41.819 42.059 -0.006 0.000 1.180 611 L HN 0.614 nan 8.230 nan 0.000 0.487 612 N N 0.434 118.920 118.700 -0.356 0.000 2.336 612 N HA -0.058 4.683 4.740 0.001 0.000 0.189 612 N C 0.281 175.616 175.510 -0.292 0.000 1.113 612 N CA -0.086 52.640 53.050 -0.539 0.000 0.858 612 N CB 0.386 38.077 38.487 -1.327 0.000 0.970 612 N HN 0.547 nan 8.380 nan 0.000 0.471 613 Q N -0.674 119.017 119.800 -0.181 0.000 2.587 613 Q HA 0.401 4.741 4.340 0.001 0.000 0.293 613 Q C -1.651 174.310 176.000 -0.065 0.000 1.083 613 Q CA -0.919 54.822 55.803 -0.103 0.000 0.792 613 Q CB 0.610 29.296 28.738 -0.087 0.000 1.484 613 Q HN -0.247 nan 8.270 nan 0.000 0.446 614 D N 1.252 121.626 120.400 -0.044 0.000 2.487 614 D HA 0.148 4.789 4.640 0.001 0.000 0.243 614 D C -0.971 175.302 176.300 -0.046 0.000 1.154 614 D CA 0.128 54.106 54.000 -0.037 0.000 0.876 614 D CB 0.547 41.330 40.800 -0.029 0.000 1.161 614 D HN 0.352 nan 8.370 nan 0.000 0.478 615 L N 3.240 124.428 121.223 -0.060 0.000 2.262 615 L HA 0.310 4.651 4.340 0.001 0.000 0.288 615 L C -0.465 176.350 176.870 -0.090 0.000 1.035 615 L CA -0.190 54.606 54.840 -0.073 0.000 0.820 615 L CB 0.997 42.999 42.059 -0.094 0.000 1.204 615 L HN 0.179 nan 8.230 nan 0.000 0.424 616 T N 6.615 121.132 114.554 -0.062 0.000 2.753 616 T HA 0.466 4.817 4.350 0.001 0.000 0.297 616 T C 0.075 174.742 174.700 -0.055 0.000 0.981 616 T CA -0.312 61.754 62.100 -0.057 0.000 0.956 616 T CB 0.361 69.207 68.868 -0.038 0.000 0.936 616 T HN 0.406 nan 8.240 nan 0.000 0.463 617 L N 3.555 124.737 121.223 -0.068 0.000 2.292 617 L HA 0.353 4.693 4.340 0.001 0.000 0.284 617 L C 0.828 177.667 176.870 -0.052 0.000 1.065 617 L CA -1.060 53.746 54.840 -0.057 0.000 0.806 617 L CB 0.865 42.885 42.059 -0.065 0.000 1.175 617 L HN 0.413 nan 8.230 nan 0.000 0.431 618 Q N 2.903 122.680 119.800 -0.039 0.000 2.443 618 Q HA 0.239 4.579 4.340 0.001 0.000 0.232 618 Q C -2.168 173.790 176.000 -0.070 0.000 1.026 618 Q CA -1.826 53.956 55.803 -0.034 0.000 0.924 618 Q CB 0.252 28.984 28.738 -0.011 0.000 1.256 618 Q HN 0.284 nan 8.270 nan 0.000 0.519 619 P HA -0.106 nan 4.420 nan 0.000 0.256 619 P C -0.982 176.238 177.300 -0.132 0.000 1.173 619 P CA 0.720 63.681 63.100 -0.231 0.000 0.768 619 P CB -0.219 31.419 31.700 -0.103 0.000 0.758 620 Y N -0.250 119.964 120.300 -0.144 0.000 4.177 620 Y HA -0.263 4.287 4.550 0.001 0.000 0.227 620 Y C 0.923 176.732 175.900 -0.152 0.000 1.154 620 Y CA 0.587 58.576 58.100 -0.185 0.000 1.887 620 Y CB -2.551 35.787 38.460 -0.203 0.000 1.594 620 Y HN 0.451 nan 8.280 nan 0.000 0.668 621 Q N 0.701 120.490 119.800 -0.019 0.000 2.327 621 Q HA 0.531 4.872 4.340 0.001 0.000 0.254 621 Q C -0.481 175.501 176.000 -0.030 0.000 0.952 621 Q CA -0.350 55.437 55.803 -0.026 0.000 0.884 621 Q CB 0.994 29.718 28.738 -0.025 0.000 1.224 621 Q HN 0.189 nan 8.270 nan 0.000 0.422 622 V N 4.925 124.801 119.914 -0.063 0.000 2.513 622 V HA 0.503 4.624 4.120 0.001 0.000 0.299 622 V C -0.221 175.817 176.094 -0.094 0.000 1.035 622 V CA -0.606 61.650 62.300 -0.074 0.000 0.889 622 V CB 1.706 33.415 31.823 -0.191 0.000 0.988 622 V HN 0.868 nan 8.190 nan 0.000 0.440 623 M N 4.194 123.809 119.600 0.024 0.000 2.263 623 M HA 0.439 4.919 4.480 0.001 0.000 0.295 623 M C -1.900 174.521 176.300 0.203 0.000 1.028 623 M CA -0.249 55.092 55.300 0.067 0.000 0.921 623 M CB 2.549 35.250 32.600 0.169 0.000 1.601 623 M HN 0.614 nan 8.290 nan 0.000 0.440 624 W N 5.750 127.027 121.300 -0.039 0.000 2.394 624 W HA 0.488 5.149 4.660 0.001 0.000 0.312 624 W C -1.256 175.197 176.519 -0.109 0.000 0.981 624 W CA -1.013 56.288 57.345 -0.073 0.000 1.519 624 W CB 0.254 29.751 29.460 0.063 0.000 1.304 624 W HN 0.460 nan 8.180 nan 0.000 0.412 625 L N 2.749 123.984 121.223 0.019 0.000 2.290 625 L HA 0.280 4.621 4.340 0.001 0.000 0.284 625 L C 0.867 177.686 176.870 -0.085 0.000 1.078 625 L CA -0.358 54.457 54.840 -0.042 0.000 0.815 625 L CB 0.905 42.919 42.059 -0.076 0.000 1.162 625 L HN 0.154 nan 8.230 nan 0.000 0.435 626 E N 4.312 124.498 120.200 -0.022 0.000 1.996 626 E HA 0.101 4.452 4.350 0.001 0.000 0.280 626 E C 0.741 177.321 176.600 -0.032 0.000 1.092 626 E CA -0.110 56.275 56.400 -0.026 0.000 0.862 626 E CB 0.703 30.439 29.700 0.061 0.000 1.066 626 E HN 0.582 nan 8.360 nan 0.000 0.396 627 I N -0.542 119.976 120.570 -0.087 0.000 3.883 627 I HA 0.440 4.610 4.170 0.001 0.000 0.326 627 I C 0.560 176.645 176.117 -0.055 0.000 1.283 627 I CA -0.251 61.004 61.300 -0.075 0.000 1.161 627 I CB 0.409 38.333 38.000 -0.128 0.000 1.012 627 I HN 0.255 nan 8.210 nan 0.000 0.421 628 A N 0.000 122.788 122.820 -0.054 0.000 2.254 628 A HA 0.000 4.321 4.320 0.001 0.000 0.244 628 A CA 0.000 52.013 52.037 -0.040 0.000 0.836 628 A CB 0.000 18.970 19.000 -0.050 0.000 0.831 628 A HN 0.000 nan 8.150 nan 0.000 0.486