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 2cgj_1_A DATA FIRST_RESID 2 DATA SEQUENCE TFRNCVAVDL GASSGRVMLA RYERECRSLT LREIHRFNNG LHSQNGYVTW DATA SEQUENCE DVDSLESAIR LGLNKVcAAG IAIDSIGIDT WGVDFVLLDQ QGQRVGLPVA DATA SEQUENCE YRDSRTNGLM AQAQQQLGKR DIYQRSGIQF LPFNTLYQLR ALTEQQPELI DATA SEQUENCE PHIAHALLMP DYFSYRLTGK MNWEYTNATT TQLVNINSDD WDESLLAWSG DATA SEQUENCE ANKAWFGRPT HPGNVIGHWI cPQGNEIPVV AVASHDTASA VIASPLNGSR DATA SEQUENCE AAYLSSGTWS LMGFESQTPF TNDTALAANI TNEGGAEGRY RVLKNIMGLW DATA SEQUENCE LLQRVLQERQ INDLPALIAA TQALPACRFI INPNDDRFIN PDEMCSEIQA DATA SEQUENCE ACREMAQPIP ESDAELARCI FDSLALLYAD VLHELAQLRG EDFSQLHIVG DATA SEQUENCE GGCQNTLLNQ LCADACGIRV IAGPVEASTL GNIGIQLMTL DELNNVDDFR DATA SEQUENCE QVVSTTANLT TFTPNPDSEI AHYVALIHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.661 174.700 -0.065 0.000 1.109 2 T CA 0.000 62.027 62.100 -0.122 0.000 1.349 2 T CB 0.000 68.865 68.868 -0.004 0.000 0.612 3 F N 3.272 123.235 119.950 0.022 0.000 2.518 3 F HA 0.710 5.237 4.527 -0.000 0.000 0.359 3 F C 0.243 176.081 175.800 0.064 0.000 1.118 3 F CA -1.018 57.001 58.000 0.033 0.000 1.287 3 F CB 0.457 39.466 39.000 0.015 0.000 1.132 3 F HN -0.268 nan 8.300 nan 0.000 0.587 4 R N 2.650 123.284 120.500 0.224 0.000 2.407 4 R HA 0.334 4.673 4.340 -0.000 0.000 0.303 4 R C -1.010 175.427 176.300 0.229 0.000 0.981 4 R CA -0.851 55.337 56.100 0.146 0.000 0.905 4 R CB 1.097 31.481 30.300 0.139 0.000 1.099 4 R HN 0.688 nan 8.270 nan 0.000 0.459 5 N N 1.902 120.700 118.700 0.163 0.000 2.501 5 N HA 0.219 4.959 4.740 -0.000 0.000 0.245 5 N C -0.877 174.697 175.510 0.106 0.000 0.974 5 N CA -0.160 52.991 53.050 0.168 0.000 0.941 5 N CB 1.276 39.873 38.487 0.182 0.000 1.122 5 N HN 0.414 nan 8.380 nan 0.000 0.507 6 C N 1.624 120.980 119.300 0.093 0.000 2.382 6 C HA 0.550 5.010 4.460 -0.000 0.000 0.327 6 C C 0.545 175.556 174.990 0.035 0.000 1.250 6 C CA -0.791 58.257 59.018 0.049 0.000 1.707 6 C CB 1.261 29.016 27.740 0.026 0.000 2.272 6 C HN 0.345 nan 8.230 nan 0.000 0.506 7 V N 3.011 122.932 119.914 0.011 0.000 2.370 7 V HA 0.662 4.782 4.120 -0.000 0.000 0.283 7 V C 0.428 176.503 176.094 -0.032 0.000 1.023 7 V CA -0.161 62.134 62.300 -0.008 0.000 0.857 7 V CB 1.312 33.119 31.823 -0.027 0.000 0.985 7 V HN 1.047 nan 8.190 nan 0.000 0.443 8 A N 4.983 127.788 122.820 -0.026 0.000 2.276 8 A HA 0.755 5.075 4.320 -0.000 0.000 0.316 8 A C -0.498 177.060 177.584 -0.043 0.000 1.229 8 A CA -0.463 51.551 52.037 -0.039 0.000 0.851 8 A CB 1.064 20.046 19.000 -0.030 0.000 1.165 8 A HN 0.667 nan 8.150 nan 0.000 0.513 9 V N 3.363 123.240 119.914 -0.060 0.000 2.333 9 V HA 0.278 4.398 4.120 -0.000 0.000 0.274 9 V C -0.580 175.479 176.094 -0.058 0.000 1.028 9 V CA -0.299 61.966 62.300 -0.058 0.000 0.851 9 V CB 1.059 32.825 31.823 -0.095 0.000 1.000 9 V HN 0.910 nan 8.190 nan 0.000 0.456 10 D N 5.435 125.802 120.400 -0.056 0.000 2.453 10 D HA 0.453 5.093 4.640 -0.000 0.000 0.238 10 D C -0.675 175.592 176.300 -0.055 0.000 1.088 10 D CA -0.242 53.728 54.000 -0.050 0.000 0.854 10 D CB 1.025 41.799 40.800 -0.044 0.000 1.076 10 D HN 0.406 nan 8.370 nan 0.000 0.533 11 L N 3.451 124.673 121.223 -0.001 0.000 2.280 11 L HA 0.712 5.052 4.340 -0.000 0.000 0.287 11 L C 1.041 178.073 176.870 0.271 0.000 1.023 11 L CA -0.900 53.996 54.840 0.093 0.000 0.819 11 L CB 1.784 43.925 42.059 0.136 0.000 1.212 11 L HN 0.380 nan 8.230 nan 0.000 0.420 12 G N 0.993 109.903 108.800 0.182 0.000 2.601 12 G HA2 0.536 4.496 3.960 -0.000 0.000 0.317 12 G HA3 0.536 4.496 3.960 -0.000 0.000 0.317 12 G C 0.669 175.575 174.900 0.009 0.000 1.246 12 G CA 0.070 45.291 45.100 0.201 0.000 1.012 12 G HN 0.668 nan 8.290 nan 0.000 0.494 13 A N -0.516 122.275 122.820 -0.048 0.000 1.969 13 A HA 0.049 4.369 4.320 -0.000 0.000 0.218 13 A C 2.388 180.009 177.584 0.062 0.000 1.169 13 A CA 2.416 54.363 52.037 -0.149 0.000 0.635 13 A CB -0.442 18.626 19.000 0.114 0.000 0.810 13 A HN 1.090 nan 8.150 nan 0.000 0.445 14 S N -2.132 113.618 115.700 0.083 0.000 2.517 14 S HA 0.368 4.838 4.470 -0.000 0.000 0.214 14 S C 0.508 175.132 174.600 0.039 0.000 0.991 14 S CA 0.501 58.754 58.200 0.088 0.000 0.906 14 S CB -0.082 63.175 63.200 0.096 0.000 0.789 14 S HN 0.984 nan 8.310 nan 0.000 0.513 15 S N -0.854 114.846 115.700 -0.001 0.000 2.565 15 S HA 0.619 5.089 4.470 -0.000 0.000 0.274 15 S C -0.884 173.597 174.600 -0.199 0.000 1.144 15 S CA -0.241 57.906 58.200 -0.089 0.000 0.849 15 S CB 0.954 64.095 63.200 -0.099 0.000 1.103 15 S HN 0.718 nan 8.310 nan 0.000 0.455 16 G N 1.940 110.421 108.800 -0.532 0.000 2.482 16 G HA2 0.795 4.755 3.960 -0.000 0.000 0.317 16 G HA3 0.795 4.755 3.960 -0.000 0.000 0.317 16 G C -1.141 173.013 174.900 -1.244 0.000 1.241 16 G CA -0.913 43.645 45.100 -0.903 0.000 0.967 16 G HN 0.940 nan 8.290 nan 0.000 0.482 17 R N 0.246 120.340 120.500 -0.678 0.000 2.651 17 R HA 0.622 4.962 4.340 -0.000 0.000 0.278 17 R C -2.069 174.179 176.300 -0.087 0.000 1.010 17 R CA -0.746 55.133 56.100 -0.369 0.000 0.896 17 R CB 1.908 32.080 30.300 -0.214 0.000 1.211 17 R HN 0.291 nan 8.270 nan 0.000 0.456 18 V N 4.597 124.550 119.914 0.064 0.000 2.357 18 V HA 0.467 4.587 4.120 -0.000 0.000 0.284 18 V C 0.044 176.170 176.094 0.054 0.000 1.018 18 V CA -0.475 61.880 62.300 0.091 0.000 0.841 18 V CB 1.413 33.337 31.823 0.169 0.000 0.991 18 V HN 0.696 nan 8.190 nan 0.000 0.437 19 M N 5.491 125.103 119.600 0.021 0.000 2.530 19 M HA 0.585 5.065 4.480 -0.000 0.000 0.307 19 M C -1.317 174.999 176.300 0.026 0.000 1.161 19 M CA -0.781 54.533 55.300 0.023 0.000 0.903 19 M CB 2.607 35.214 32.600 0.012 0.000 1.711 19 M HN 0.483 nan 8.290 nan 0.000 0.451 20 L N 2.171 123.417 121.223 0.039 0.000 2.322 20 L HA 0.895 5.235 4.340 -0.000 0.000 0.281 20 L C -0.977 175.930 176.870 0.060 0.000 1.014 20 L CA -0.046 54.823 54.840 0.049 0.000 0.815 20 L CB 1.553 43.645 42.059 0.056 0.000 1.247 20 L HN 0.842 nan 8.230 nan 0.000 0.421 21 A N 5.390 128.255 122.820 0.075 0.000 2.350 21 A HA 0.798 5.118 4.320 -0.000 0.000 0.324 21 A C -0.933 176.733 177.584 0.137 0.000 1.118 21 A CA -0.769 51.328 52.037 0.100 0.000 0.783 21 A CB 1.163 20.226 19.000 0.106 0.000 1.236 21 A HN 0.745 nan 8.150 nan 0.000 0.457 22 R N 1.558 122.147 120.500 0.149 0.000 2.437 22 R HA 0.597 4.937 4.340 -0.000 0.000 0.310 22 R C -2.190 174.257 176.300 0.246 0.000 0.955 22 R CA -0.327 55.883 56.100 0.184 0.000 0.851 22 R CB 1.243 31.591 30.300 0.081 0.000 1.161 22 R HN 0.823 nan 8.270 nan 0.000 0.446 23 Y N 2.605 122.994 120.300 0.147 0.000 2.513 23 Y HA 0.258 4.808 4.550 -0.000 0.000 0.340 23 Y C -1.665 174.330 175.900 0.158 0.000 1.055 23 Y CA -0.579 57.599 58.100 0.130 0.000 1.020 23 Y CB 1.860 40.394 38.460 0.123 0.000 1.301 23 Y HN 0.725 nan 8.280 nan 0.000 0.453 24 E N 4.446 124.364 120.200 -0.470 0.000 2.308 24 E HA 0.449 4.799 4.350 -0.000 0.000 0.275 24 E C -0.434 175.841 176.600 -0.543 0.000 0.890 24 E CA -1.021 55.213 56.400 -0.276 0.000 0.754 24 E CB 2.322 32.015 29.700 -0.013 0.000 1.207 24 E HN 0.704 nan 8.360 nan 0.000 0.426 25 R N 1.414 121.835 120.500 -0.132 0.000 2.094 25 R HA -0.188 4.151 4.340 -0.000 0.000 0.239 25 R C 1.427 177.692 176.300 -0.058 0.000 1.137 25 R CA 2.477 58.579 56.100 0.003 0.000 0.943 25 R CB -0.166 30.212 30.300 0.131 0.000 0.850 25 R HN 0.694 nan 8.270 nan 0.000 0.433 26 E N -0.520 119.656 120.200 -0.040 0.000 2.130 26 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 26 E C 1.990 178.557 176.600 -0.055 0.000 0.998 26 E CA 1.309 57.692 56.400 -0.028 0.000 0.806 26 E CB -0.185 29.508 29.700 -0.011 0.000 0.738 26 E HN 0.337 nan 8.360 nan 0.000 0.459 27 C N -0.485 118.751 119.300 -0.106 0.000 2.533 27 C HA 0.157 4.617 4.460 -0.000 0.000 0.272 27 C C 0.921 175.828 174.990 -0.138 0.000 1.371 27 C CA -0.203 58.748 59.018 -0.111 0.000 1.758 27 C CB -0.675 26.995 27.740 -0.117 0.000 1.972 27 C HN 0.397 nan 8.230 nan 0.000 0.522 28 R N 0.727 121.093 120.500 -0.224 0.000 3.758 28 R HA -0.146 4.194 4.340 -0.000 0.000 0.299 28 R C 0.121 176.335 176.300 -0.143 0.000 1.182 28 R CA 0.958 56.958 56.100 -0.167 0.000 0.809 28 R CB -2.273 28.016 30.300 -0.019 0.000 1.249 28 R HN 0.734 nan 8.270 nan 0.000 0.497 29 S N -0.246 115.299 115.700 -0.258 0.000 2.462 29 S HA 0.681 5.151 4.470 -0.000 0.000 0.294 29 S C 0.170 174.760 174.600 -0.017 0.000 1.144 29 S CA -0.948 57.187 58.200 -0.108 0.000 1.088 29 S CB 2.731 65.872 63.200 -0.099 0.000 1.009 29 S HN 0.282 nan 8.310 nan 0.000 0.484 30 L N 3.714 125.008 121.223 0.118 0.000 2.406 30 L HA 0.519 4.859 4.340 -0.000 0.000 0.270 30 L C -0.528 176.413 176.870 0.118 0.000 0.982 30 L CA -0.270 54.709 54.840 0.231 0.000 0.843 30 L CB 1.762 43.995 42.059 0.290 0.000 1.225 30 L HN 1.072 nan 8.230 nan 0.000 0.412 31 T N 2.599 117.215 114.554 0.103 0.000 2.797 31 T HA 0.579 4.929 4.350 -0.000 0.000 0.279 31 T C -0.490 174.251 174.700 0.069 0.000 0.991 31 T CA -0.673 61.462 62.100 0.060 0.000 0.979 31 T CB 1.738 70.621 68.868 0.025 0.000 0.943 31 T HN 0.416 nan 8.240 nan 0.000 0.444 32 L N 3.092 124.347 121.223 0.054 0.000 2.307 32 L HA 0.601 4.941 4.340 -0.000 0.000 0.284 32 L C 0.423 177.314 176.870 0.036 0.000 1.023 32 L CA -0.896 53.974 54.840 0.050 0.000 0.810 32 L CB 1.607 43.694 42.059 0.048 0.000 1.231 32 L HN 0.631 nan 8.230 nan 0.000 0.423 33 R N 2.415 122.938 120.500 0.037 0.000 2.534 33 R HA 0.295 4.635 4.340 -0.000 0.000 0.301 33 R C -0.883 175.437 176.300 0.033 0.000 0.961 33 R CA -0.715 55.405 56.100 0.032 0.000 0.871 33 R CB 2.462 32.783 30.300 0.035 0.000 1.170 33 R HN 0.522 nan 8.270 nan 0.000 0.446 34 E N 3.778 123.995 120.200 0.029 0.000 2.194 34 E HA 0.086 4.436 4.350 -0.000 0.000 0.284 34 E C 0.646 177.277 176.600 0.052 0.000 1.035 34 E CA -0.281 56.138 56.400 0.030 0.000 0.836 34 E CB 0.723 30.432 29.700 0.015 0.000 1.070 34 E HN 0.456 nan 8.360 nan 0.000 0.401 35 I N 2.708 123.322 120.570 0.073 0.000 2.556 35 I HA 0.013 4.183 4.170 -0.000 0.000 0.251 35 I C 0.525 176.755 176.117 0.187 0.000 1.105 35 I CA 0.759 62.121 61.300 0.104 0.000 1.436 35 I CB -0.484 37.570 38.000 0.090 0.000 1.139 35 I HN 0.550 nan 8.210 nan 0.000 0.438 36 H N 0.845 119.958 119.070 0.071 0.000 3.224 36 H HA 0.507 5.063 4.556 -0.000 0.000 0.331 36 H C -0.706 174.716 175.328 0.156 0.000 1.002 36 H CA -0.740 55.386 56.048 0.129 0.000 1.473 36 H CB 1.019 30.875 29.762 0.157 0.000 1.830 36 H HN -0.101 nan 8.280 nan 0.000 0.485 37 R N 4.589 124.974 120.500 -0.191 0.000 2.346 37 R HA 0.544 4.884 4.340 -0.000 0.000 0.311 37 R C -1.535 174.588 176.300 -0.294 0.000 0.983 37 R CA -0.498 55.446 56.100 -0.261 0.000 0.880 37 R CB 0.146 30.354 30.300 -0.152 0.000 1.100 37 R HN 0.416 nan 8.270 nan 0.000 0.453 38 F N 0.528 120.315 119.950 -0.272 0.000 2.645 38 F HA 0.561 5.088 4.527 -0.000 0.000 0.310 38 F C -0.795 174.971 175.800 -0.058 0.000 1.102 38 F CA -1.372 56.513 58.000 -0.191 0.000 0.952 38 F CB 1.205 40.088 39.000 -0.194 0.000 1.326 38 F HN 0.251 nan 8.300 nan 0.000 0.456 39 N N 2.034 120.850 118.700 0.194 0.000 2.529 39 N HA 0.238 4.978 4.740 -0.000 0.000 0.278 39 N C -1.359 174.293 175.510 0.236 0.000 1.146 39 N CA -0.230 52.901 53.050 0.135 0.000 0.980 39 N CB 1.277 39.834 38.487 0.116 0.000 1.124 39 N HN 0.829 nan 8.380 nan 0.000 0.458 40 N N 0.025 118.823 118.700 0.164 0.000 2.229 40 N HA 0.645 5.385 4.740 -0.000 0.000 0.298 40 N C -1.068 174.563 175.510 0.203 0.000 1.114 40 N CA -0.562 52.628 53.050 0.234 0.000 0.776 40 N CB 2.082 40.677 38.487 0.180 0.000 1.501 40 N HN 0.586 nan 8.380 nan 0.000 0.474 41 G N 1.121 110.088 108.800 0.278 0.000 2.495 41 G HA2 0.296 4.256 3.960 -0.000 0.000 0.294 41 G HA3 0.296 4.256 3.960 -0.000 0.000 0.294 41 G C -1.637 173.267 174.900 0.007 0.000 1.397 41 G CA -0.737 44.443 45.100 0.133 0.000 0.790 41 G HN 0.440 nan 8.290 nan 0.000 0.486 42 L N 1.771 122.866 121.223 -0.214 0.000 2.319 42 L HA 0.374 4.714 4.340 -0.000 0.000 0.280 42 L C -0.111 176.557 176.870 -0.337 0.000 1.099 42 L CA -0.569 54.041 54.840 -0.383 0.000 0.828 42 L CB 0.639 42.471 42.059 -0.378 0.000 1.150 42 L HN 0.422 nan 8.230 nan 0.000 0.442 43 H N 2.121 121.094 119.070 -0.162 0.000 2.476 43 H HA 0.227 4.783 4.556 -0.000 0.000 0.328 43 H C -0.445 174.830 175.328 -0.087 0.000 1.073 43 H CA -0.597 55.406 56.048 -0.075 0.000 1.229 43 H CB 1.843 31.595 29.762 -0.016 0.000 1.432 43 H HN 0.512 nan 8.280 nan 0.000 0.477 44 S N 3.481 119.197 115.700 0.028 0.000 2.430 44 S HA 0.043 4.513 4.470 -0.000 0.000 0.282 44 S C 0.406 175.036 174.600 0.050 0.000 1.186 44 S CA -0.180 58.028 58.200 0.013 0.000 1.060 44 S CB 0.301 63.495 63.200 -0.010 0.000 0.966 44 S HN 0.540 nan 8.310 nan 0.000 0.501 45 Q N 3.347 123.183 119.800 0.061 0.000 2.320 45 Q HA 0.234 4.574 4.340 -0.000 0.000 0.268 45 Q C -0.914 175.148 176.000 0.102 0.000 1.023 45 Q CA -0.602 55.241 55.803 0.067 0.000 0.744 45 Q CB 0.374 29.141 28.738 0.048 0.000 1.246 45 Q HN 0.658 nan 8.270 nan 0.000 0.462 46 N N 3.114 121.864 118.700 0.083 0.000 2.714 46 N HA -0.229 4.511 4.740 -0.000 0.000 0.253 46 N C 0.489 176.098 175.510 0.164 0.000 1.024 46 N CA 1.464 54.578 53.050 0.107 0.000 0.726 46 N CB -1.555 36.993 38.487 0.102 0.000 0.908 46 N HN 1.106 nan 8.380 nan 0.000 0.542 47 G N -2.295 106.542 108.800 0.062 0.000 2.184 47 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.264 47 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.264 47 G C -0.224 174.545 174.900 -0.218 0.000 0.975 47 G CA 0.823 45.883 45.100 -0.067 0.000 0.642 47 G HN 0.540 nan 8.290 nan 0.000 0.536 48 Y N -1.329 118.951 120.300 -0.032 0.000 2.562 48 Y HA 0.616 5.166 4.550 -0.000 0.000 0.343 48 Y C 0.356 176.207 175.900 -0.081 0.000 1.025 48 Y CA -1.083 56.987 58.100 -0.050 0.000 1.082 48 Y CB 2.226 40.657 38.460 -0.047 0.000 1.264 48 Y HN 0.060 nan 8.280 nan 0.000 0.478 49 V N 2.472 122.409 119.914 0.038 0.000 2.350 49 V HA 0.493 4.613 4.120 -0.000 0.000 0.276 49 V C -0.080 175.889 176.094 -0.209 0.000 1.028 49 V CA -0.398 61.834 62.300 -0.114 0.000 0.860 49 V CB 0.689 32.397 31.823 -0.192 0.000 0.990 49 V HN 0.924 nan 8.190 nan 0.000 0.453 50 T N 0.856 115.267 114.554 -0.238 0.000 2.831 50 T HA 0.682 5.031 4.350 -0.000 0.000 0.287 50 T C -1.135 173.361 174.700 -0.339 0.000 1.070 50 T CA -0.869 61.069 62.100 -0.269 0.000 1.010 50 T CB 1.623 70.449 68.868 -0.069 0.000 1.264 50 T HN 0.405 nan 8.240 nan 0.000 0.532 51 W N 0.457 121.809 121.300 0.087 0.000 2.520 51 W HA 0.470 5.130 4.660 -0.000 0.000 0.323 51 W C -0.238 176.346 176.519 0.109 0.000 1.062 51 W CA -0.686 56.753 57.345 0.158 0.000 1.215 51 W CB 1.175 30.797 29.460 0.269 0.000 1.340 51 W HN 0.607 nan 8.180 nan 0.000 0.516 52 D N 2.626 123.224 120.400 0.329 0.000 2.470 52 D HA 0.018 4.658 4.640 -0.000 0.000 0.226 52 D C 1.171 177.630 176.300 0.264 0.000 1.196 52 D CA -0.010 54.056 54.000 0.110 0.000 0.979 52 D CB 0.789 41.473 40.800 -0.193 0.000 1.059 52 D HN 0.286 nan 8.370 nan 0.000 0.515 53 V N 0.830 120.925 119.914 0.301 0.000 2.667 53 V HA -0.103 4.017 4.120 -0.000 0.000 0.252 53 V C 1.426 177.767 176.094 0.411 0.000 1.065 53 V CA 1.087 63.652 62.300 0.442 0.000 1.083 53 V CB -0.152 31.849 31.823 0.296 0.000 0.692 53 V HN 0.187 nan 8.190 nan 0.000 0.468 54 D N 1.082 121.624 120.400 0.236 0.000 2.149 54 D HA -0.071 4.569 4.640 -0.000 0.000 0.201 54 D C 2.454 178.824 176.300 0.116 0.000 0.972 54 D CA 1.805 55.907 54.000 0.170 0.000 0.835 54 D CB -0.148 40.711 40.800 0.099 0.000 0.966 54 D HN 0.524 nan 8.370 nan 0.000 0.476 55 S N 0.440 116.194 115.700 0.091 0.000 2.383 55 S HA -0.029 4.441 4.470 -0.000 0.000 0.227 55 S C 2.209 176.795 174.600 -0.022 0.000 1.026 55 S CA 0.408 58.628 58.200 0.033 0.000 0.981 55 S CB -0.081 63.144 63.200 0.042 0.000 0.818 55 S HN 0.219 nan 8.310 nan 0.000 0.472 56 L N 1.195 122.456 121.223 0.063 0.000 2.027 56 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 56 L C 2.707 179.450 176.870 -0.213 0.000 1.074 56 L CA 1.399 56.206 54.840 -0.054 0.000 0.745 56 L CB -0.508 41.621 42.059 0.118 0.000 0.898 56 L HN 0.352 nan 8.230 nan 0.000 0.433 57 E N 0.314 120.525 120.200 0.018 0.000 2.058 57 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 57 E C 2.281 178.830 176.600 -0.084 0.000 0.997 57 E CA 1.755 58.166 56.400 0.018 0.000 0.801 57 E CB 0.053 29.900 29.700 0.245 0.000 0.746 57 E HN 0.524 nan 8.360 nan 0.000 0.450 58 S N 0.495 116.155 115.700 -0.067 0.000 2.370 58 S HA -0.142 4.328 4.470 -0.000 0.000 0.226 58 S C 2.217 176.701 174.600 -0.194 0.000 1.033 58 S CA 1.128 59.271 58.200 -0.095 0.000 1.011 58 S CB -0.404 62.761 63.200 -0.058 0.000 0.852 58 S HN 0.386 nan 8.310 nan 0.000 0.457 59 A N 1.807 124.429 122.820 -0.330 0.000 1.933 59 A HA 0.119 4.439 4.320 -0.000 0.000 0.218 59 A C 2.228 179.543 177.584 -0.448 0.000 1.175 59 A CA 1.372 53.077 52.037 -0.554 0.000 0.628 59 A CB -0.794 17.403 19.000 -1.338 0.000 0.814 59 A HN 0.586 nan 8.150 nan 0.000 0.444 60 I N -0.884 119.459 120.570 -0.378 0.000 2.179 60 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 60 I C 2.778 178.756 176.117 -0.231 0.000 1.088 60 I CA 1.330 62.493 61.300 -0.227 0.000 1.357 60 I CB -0.335 37.499 38.000 -0.276 0.000 1.051 60 I HN 0.272 nan 8.210 nan 0.000 0.409 61 R N 0.477 120.854 120.500 -0.206 0.000 2.091 61 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 61 R C 2.393 178.624 176.300 -0.114 0.000 1.136 61 R CA 1.392 57.411 56.100 -0.135 0.000 0.959 61 R CB -0.645 29.642 30.300 -0.023 0.000 0.856 61 R HN 0.364 nan 8.270 nan 0.000 0.437 62 L N 0.355 121.473 121.223 -0.175 0.000 1.978 62 L HA -0.198 4.142 4.340 -0.000 0.000 0.218 62 L C 2.337 179.059 176.870 -0.245 0.000 1.075 62 L CA 2.025 56.719 54.840 -0.242 0.000 0.767 62 L CB -0.853 40.950 42.059 -0.427 0.000 0.890 62 L HN 0.324 nan 8.230 nan 0.000 0.434 63 G N -0.281 108.369 108.800 -0.250 0.000 2.446 63 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 63 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 63 G C 1.519 176.376 174.900 -0.072 0.000 1.168 63 G CA 1.144 46.189 45.100 -0.091 0.000 0.771 63 G HN 0.415 nan 8.290 nan 0.000 0.551 64 L N 0.096 121.228 121.223 -0.151 0.000 2.046 64 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 64 L C 2.606 179.508 176.870 0.053 0.000 1.077 64 L CA 1.211 55.931 54.840 -0.200 0.000 0.747 64 L CB -0.506 41.115 42.059 -0.731 0.000 0.896 64 L HN 0.255 nan 8.230 nan 0.000 0.432 65 N N -0.499 118.265 118.700 0.106 0.000 2.309 65 N HA -0.142 4.598 4.740 -0.000 0.000 0.182 65 N C 1.720 177.279 175.510 0.082 0.000 1.018 65 N CA 0.424 53.575 53.050 0.168 0.000 0.876 65 N CB 0.131 38.691 38.487 0.122 0.000 0.972 65 N HN 0.232 nan 8.380 nan 0.000 0.434 66 K N 0.639 121.056 120.400 0.029 0.000 2.097 66 K HA -0.037 4.283 4.320 -0.000 0.000 0.205 66 K C 1.907 178.536 176.600 0.049 0.000 1.050 66 K CA 0.778 57.079 56.287 0.023 0.000 0.938 66 K CB -0.128 32.372 32.500 0.001 0.000 0.718 66 K HN 0.113 nan 8.250 nan 0.000 0.442 67 V N 0.708 120.660 119.914 0.063 0.000 2.453 67 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 67 V C 2.539 178.691 176.094 0.097 0.000 1.048 67 V CA 1.300 63.646 62.300 0.077 0.000 1.049 67 V CB -0.685 31.183 31.823 0.074 0.000 0.672 67 V HN 0.264 nan 8.190 nan 0.000 0.457 68 c N 0.902 119.580 118.600 0.131 0.000 2.453 68 c HA -0.006 4.564 4.570 -0.000 0.000 0.277 68 c C 3.109 177.242 174.090 0.072 0.000 1.262 68 c CA 0.765 57.166 56.329 0.120 0.000 1.718 68 c CB -1.342 41.259 42.510 0.153 0.000 2.031 68 c HN 0.597 nan 8.230 nan 0.000 0.480 69 A N 0.396 123.254 122.820 0.063 0.000 2.066 69 A HA 0.236 4.555 4.320 -0.000 0.000 0.218 69 A C 2.248 179.855 177.584 0.039 0.000 1.157 69 A CA 1.536 53.598 52.037 0.041 0.000 0.670 69 A CB -0.576 18.443 19.000 0.033 0.000 0.804 69 A HN 0.574 nan 8.150 nan 0.000 0.453 70 A N -1.150 121.698 122.820 0.047 0.000 2.121 70 A HA 0.353 4.673 4.320 -0.000 0.000 0.218 70 A C 1.796 179.408 177.584 0.048 0.000 1.154 70 A CA 1.274 53.339 52.037 0.046 0.000 0.679 70 A CB -1.000 18.031 19.000 0.052 0.000 0.795 70 A HN 1.906 nan 8.150 nan 0.000 0.458 71 G N -0.867 107.963 108.800 0.050 0.000 2.256 71 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.272 71 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.272 71 G C -0.134 174.804 174.900 0.063 0.000 1.076 71 G CA 0.285 45.414 45.100 0.049 0.000 0.882 71 G HN 0.479 nan 8.290 nan 0.000 0.497 72 I N 0.669 121.284 120.570 0.076 0.000 2.359 72 I HA 0.568 4.737 4.170 -0.000 0.000 0.294 72 I C 0.937 177.106 176.117 0.087 0.000 0.987 72 I CA -0.707 60.650 61.300 0.095 0.000 1.225 72 I CB 1.883 39.946 38.000 0.105 0.000 1.366 72 I HN 0.331 nan 8.210 nan 0.000 0.466 73 A N 8.184 131.052 122.820 0.080 0.000 2.410 73 A HA 0.460 4.780 4.320 -0.000 0.000 0.292 73 A C -0.099 177.522 177.584 0.061 0.000 1.232 73 A CA -0.162 51.904 52.037 0.049 0.000 0.893 73 A CB -0.594 18.406 19.000 -0.000 0.000 1.131 73 A HN 0.641 nan 8.150 nan 0.000 0.530 74 I N 2.851 123.466 120.570 0.076 0.000 2.312 74 I HA 0.123 4.293 4.170 -0.000 0.000 0.291 74 I C 0.250 176.410 176.117 0.071 0.000 1.031 74 I CA -0.332 61.020 61.300 0.086 0.000 1.293 74 I CB 1.142 39.212 38.000 0.117 0.000 1.403 74 I HN 0.662 nan 8.210 nan 0.000 0.484 75 D N 3.885 124.318 120.400 0.055 0.000 2.289 75 D HA -0.011 4.629 4.640 -0.000 0.000 0.207 75 D C 0.476 176.802 176.300 0.043 0.000 0.966 75 D CA 0.907 54.931 54.000 0.041 0.000 0.868 75 D CB 0.512 41.330 40.800 0.029 0.000 0.943 75 D HN 0.667 nan 8.370 nan 0.000 0.514 76 S N -0.576 115.149 115.700 0.042 0.000 2.578 76 S HA 0.559 5.029 4.470 -0.000 0.000 0.272 76 S C -1.086 173.521 174.600 0.012 0.000 1.145 76 S CA -0.939 57.274 58.200 0.022 0.000 0.835 76 S CB 1.587 64.785 63.200 -0.005 0.000 1.104 76 S HN -0.007 nan 8.310 nan 0.000 0.458 77 I N 0.492 121.056 120.570 -0.009 0.000 2.689 77 I HA 0.813 4.983 4.170 -0.000 0.000 0.299 77 I C 0.267 176.348 176.117 -0.061 0.000 1.059 77 I CA -0.616 60.657 61.300 -0.045 0.000 1.055 77 I CB 2.529 40.483 38.000 -0.076 0.000 1.243 77 I HN 1.044 nan 8.210 nan 0.000 0.425 78 G N 5.230 113.987 108.800 -0.071 0.000 2.719 78 G HA2 0.759 4.718 3.960 -0.000 0.000 0.298 78 G HA3 0.759 4.718 3.960 -0.000 0.000 0.298 78 G C -1.451 173.406 174.900 -0.072 0.000 1.411 78 G CA -0.407 44.651 45.100 -0.070 0.000 0.991 78 G HN 0.426 nan 8.290 nan 0.000 0.509 79 I N 2.138 122.671 120.570 -0.062 0.000 2.436 79 I HA 0.356 4.526 4.170 -0.000 0.000 0.289 79 I C -0.930 175.160 176.117 -0.046 0.000 1.010 79 I CA -0.824 60.442 61.300 -0.056 0.000 1.098 79 I CB 2.162 40.139 38.000 -0.038 0.000 1.266 79 I HN 0.605 nan 8.210 nan 0.000 0.434 80 D N 4.371 124.741 120.400 -0.050 0.000 2.457 80 D HA 0.602 5.242 4.640 -0.000 0.000 0.240 80 D C -0.747 175.520 176.300 -0.054 0.000 1.041 80 D CA -0.265 53.708 54.000 -0.046 0.000 0.861 80 D CB 2.902 43.675 40.800 -0.046 0.000 1.394 80 D HN 0.549 nan 8.370 nan 0.000 0.473 81 T N -2.084 112.423 114.554 -0.078 0.000 2.696 81 T HA 0.555 4.905 4.350 -0.000 0.000 0.291 81 T C -0.740 173.952 174.700 -0.013 0.000 1.095 81 T CA -1.174 60.843 62.100 -0.139 0.000 1.026 81 T CB 0.452 68.974 68.868 -0.578 0.000 1.390 81 T HN 0.624 nan 8.240 nan 0.000 0.513 82 W N 0.788 122.120 121.300 0.053 0.000 2.170 82 W HA 0.592 5.252 4.660 -0.000 0.000 0.342 82 W C 0.521 177.138 176.519 0.164 0.000 1.294 82 W CA -0.283 57.132 57.345 0.116 0.000 1.246 82 W CB -0.378 29.159 29.460 0.127 0.000 1.156 82 W HN 0.958 nan 8.180 nan 0.000 0.572 83 G N 0.870 109.863 108.800 0.322 0.000 2.588 83 G HA2 0.319 4.279 3.960 -0.000 0.000 0.278 83 G HA3 0.319 4.279 3.960 -0.000 0.000 0.278 83 G C 0.502 175.471 174.900 0.114 0.000 1.307 83 G CA 0.181 45.296 45.100 0.025 0.000 1.016 83 G HN 1.336 nan 8.290 nan 0.000 0.503 84 V N -1.152 118.800 119.914 0.063 0.000 0.481 84 V HA -0.258 3.862 4.120 -0.000 0.000 0.092 84 V C 0.974 177.302 176.094 0.389 0.000 2.400 84 V CA 2.392 64.828 62.300 0.227 0.000 3.646 84 V CB -1.724 30.285 31.823 0.310 0.000 0.927 84 V HN 0.797 nan 8.190 nan 0.000 0.973 85 D N 0.588 121.239 120.400 0.419 0.000 2.360 85 D HA 0.593 5.233 4.640 -0.000 0.000 0.242 85 D C -0.329 176.169 176.300 0.331 0.000 1.184 85 D CA 0.738 55.002 54.000 0.440 0.000 0.930 85 D CB 0.804 42.008 40.800 0.674 0.000 1.161 85 D HN 0.582 nan 8.370 nan 0.000 0.447 86 F N -2.288 117.757 119.950 0.158 0.000 2.686 86 F HA 0.673 5.200 4.527 -0.000 0.000 0.311 86 F C -1.575 174.195 175.800 -0.050 0.000 1.128 86 F CA -1.139 56.891 58.000 0.050 0.000 0.946 86 F CB 0.942 40.012 39.000 0.116 0.000 1.336 86 F HN 0.047 nan 8.300 nan 0.000 0.457 87 V N 2.570 122.495 119.914 0.018 0.000 2.638 87 V HA 0.510 4.630 4.120 -0.000 0.000 0.306 87 V C -0.514 175.537 176.094 -0.071 0.000 1.052 87 V CA -0.790 61.372 62.300 -0.229 0.000 0.885 87 V CB 1.880 33.227 31.823 -0.793 0.000 0.999 87 V HN 0.751 nan 8.190 nan 0.000 0.424 88 L N 5.499 126.670 121.223 -0.087 0.000 2.325 88 L HA 0.670 5.010 4.340 -0.000 0.000 0.279 88 L C -0.629 176.144 176.870 -0.162 0.000 1.054 88 L CA -0.277 54.477 54.840 -0.143 0.000 0.804 88 L CB 1.070 43.026 42.059 -0.172 0.000 1.200 88 L HN 0.379 nan 8.230 nan 0.000 0.436 89 L N 1.331 122.451 121.223 -0.172 0.000 2.370 89 L HA 0.494 4.834 4.340 -0.000 0.000 0.266 89 L C -0.565 176.241 176.870 -0.107 0.000 1.002 89 L CA -1.014 53.768 54.840 -0.097 0.000 0.818 89 L CB 2.049 44.068 42.059 -0.068 0.000 1.325 89 L HN 0.616 nan 8.230 nan 0.000 0.418 90 D N -0.186 120.187 120.400 -0.045 0.000 2.453 90 D HA 0.042 4.682 4.640 -0.000 0.000 0.282 90 D C 0.828 177.141 176.300 0.021 0.000 1.222 90 D CA -0.335 53.648 54.000 -0.027 0.000 1.079 90 D CB 0.247 41.054 40.800 0.011 0.000 1.128 90 D HN 0.648 nan 8.370 nan 0.000 0.568 91 Q N -1.851 117.966 119.800 0.028 0.000 2.224 91 Q HA -0.135 4.205 4.340 -0.000 0.000 0.203 91 Q C 1.413 177.462 176.000 0.082 0.000 0.970 91 Q CA 1.103 56.939 55.803 0.056 0.000 0.865 91 Q CB -0.212 28.547 28.738 0.036 0.000 0.922 91 Q HN 0.300 nan 8.270 nan 0.000 0.445 92 Q N -0.525 119.318 119.800 0.072 0.000 2.384 92 Q HA 0.185 4.524 4.340 -0.000 0.000 0.207 92 Q C 1.041 177.107 176.000 0.110 0.000 0.904 92 Q CA 0.943 56.794 55.803 0.079 0.000 0.933 92 Q CB 1.528 30.301 28.738 0.059 0.000 1.077 92 Q HN 0.650 nan 8.270 nan 0.000 0.522 93 G N 0.930 109.800 108.800 0.116 0.000 2.211 93 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.201 93 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.201 93 G C 0.174 175.173 174.900 0.165 0.000 0.997 93 G CA 0.052 45.263 45.100 0.185 0.000 0.652 93 G HN 0.315 nan 8.290 nan 0.000 0.500 94 Q N 1.030 120.887 119.800 0.095 0.000 2.352 94 Q HA 0.444 4.784 4.340 -0.000 0.000 0.260 94 Q C 0.727 176.750 176.000 0.038 0.000 0.976 94 Q CA -0.437 55.407 55.803 0.068 0.000 0.881 94 Q CB 0.396 29.154 28.738 0.034 0.000 1.235 94 Q HN 0.441 nan 8.270 nan 0.000 0.419 95 R N 1.495 122.015 120.500 0.034 0.000 2.623 95 R HA 0.127 4.467 4.340 -0.000 0.000 0.271 95 R C -0.825 175.432 176.300 -0.072 0.000 1.043 95 R CA -0.073 56.009 56.100 -0.030 0.000 1.083 95 R CB 0.554 30.825 30.300 -0.047 0.000 0.974 95 R HN 0.373 nan 8.270 nan 0.000 0.436 96 V N 2.876 122.725 119.914 -0.108 0.000 2.409 96 V HA 0.486 4.606 4.120 -0.000 0.000 0.291 96 V C 0.754 176.769 176.094 -0.132 0.000 1.020 96 V CA 0.044 62.268 62.300 -0.126 0.000 0.848 96 V CB 1.056 32.797 31.823 -0.136 0.000 0.990 96 V HN 1.120 nan 8.190 nan 0.000 0.430 97 G N 4.439 113.159 108.800 -0.133 0.000 2.698 97 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.233 97 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.233 97 G C -0.734 174.076 174.900 -0.150 0.000 1.352 97 G CA -0.330 44.686 45.100 -0.141 0.000 0.879 97 G HN 0.728 nan 8.290 nan 0.000 0.567 98 L N 1.081 122.192 121.223 -0.187 0.000 2.343 98 L HA 0.496 4.836 4.340 -0.000 0.000 0.275 98 L C -1.785 174.978 176.870 -0.179 0.000 1.056 98 L CA -1.898 52.836 54.840 -0.178 0.000 0.804 98 L CB 1.920 43.846 42.059 -0.221 0.000 1.203 98 L HN 0.372 nan 8.230 nan 0.000 0.440 99 P HA 0.124 nan 4.420 nan 0.000 0.252 99 P C -0.591 176.693 177.300 -0.027 0.000 1.727 99 P CA -0.233 62.814 63.100 -0.089 0.000 1.134 99 P CB 0.132 31.833 31.700 0.001 0.000 1.876 100 V N 2.451 122.283 119.914 -0.136 0.000 2.637 100 V HA 0.354 4.474 4.120 -0.000 0.000 0.296 100 V C 1.067 177.131 176.094 -0.051 0.000 1.046 100 V CA -0.544 61.688 62.300 -0.113 0.000 1.066 100 V CB 0.468 32.233 31.823 -0.097 0.000 0.968 100 V HN 0.489 nan 8.190 nan 0.000 0.483 101 A N 3.924 126.599 122.820 -0.241 0.000 2.304 101 A HA 0.485 4.805 4.320 -0.000 0.000 0.271 101 A C 0.654 178.201 177.584 -0.063 0.000 1.091 101 A CA -0.291 51.547 52.037 -0.332 0.000 0.812 101 A CB 0.096 18.388 19.000 -1.181 0.000 1.056 101 A HN 1.033 nan 8.150 nan 0.000 0.489 102 Y N -0.325 120.055 120.300 0.133 0.000 2.497 102 Y HA -0.019 4.531 4.550 -0.000 0.000 0.292 102 Y C 1.659 177.507 175.900 -0.087 0.000 1.137 102 Y CA 1.005 59.159 58.100 0.090 0.000 1.285 102 Y CB -0.181 38.307 38.460 0.047 0.000 0.991 102 Y HN 0.525 nan 8.280 nan 0.000 0.556 103 R N 1.278 121.454 120.500 -0.540 0.000 2.323 103 R HA 0.013 4.352 4.340 -0.000 0.000 0.198 103 R C -0.497 175.698 176.300 -0.175 0.000 0.988 103 R CA 0.444 56.299 56.100 -0.409 0.000 1.041 103 R CB -0.694 29.221 30.300 -0.641 0.000 0.926 103 R HN 0.458 nan 8.270 nan 0.000 0.476 104 D N 0.112 120.459 120.400 -0.090 0.000 2.304 104 D HA 0.002 4.641 4.640 -0.000 0.000 0.247 104 D C 0.863 177.201 176.300 0.064 0.000 1.089 104 D CA 0.004 53.999 54.000 -0.009 0.000 0.910 104 D CB 1.111 41.945 40.800 0.056 0.000 1.199 104 D HN -0.017 nan 8.370 nan 0.000 0.426 105 S N 2.605 118.324 115.700 0.031 0.000 2.593 105 S HA -0.082 4.388 4.470 -0.000 0.000 0.217 105 S C 1.652 176.295 174.600 0.072 0.000 0.966 105 S CA -0.118 58.112 58.200 0.050 0.000 0.914 105 S CB -0.283 62.921 63.200 0.007 0.000 0.776 105 S HN 0.634 nan 8.310 nan 0.000 0.523 106 R N 1.876 122.434 120.500 0.097 0.000 2.200 106 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 106 R C 1.711 178.113 176.300 0.169 0.000 1.127 106 R CA 1.833 58.015 56.100 0.137 0.000 0.989 106 R CB -1.590 28.853 30.300 0.238 0.000 0.869 106 R HN 0.556 nan 8.270 nan 0.000 0.459 107 T N -2.481 112.193 114.554 0.200 0.000 3.081 107 T HA 0.068 4.418 4.350 -0.000 0.000 0.250 107 T C 0.347 175.148 174.700 0.168 0.000 1.100 107 T CA -0.365 61.874 62.100 0.233 0.000 1.038 107 T CB -0.450 68.609 68.868 0.318 0.000 0.962 107 T HN 0.283 nan 8.240 nan 0.000 0.516 108 N N 1.886 120.662 118.700 0.127 0.000 2.386 108 N HA 0.314 5.054 4.740 -0.000 0.000 0.273 108 N C 1.229 176.781 175.510 0.069 0.000 1.331 108 N CA 0.616 53.718 53.050 0.087 0.000 0.891 108 N CB 0.067 38.593 38.487 0.064 0.000 1.139 108 N HN 0.561 nan 8.380 nan 0.000 0.487 109 G N 1.721 110.548 108.800 0.045 0.000 2.254 109 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.225 109 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.225 109 G C 0.845 175.774 174.900 0.048 0.000 1.003 109 G CA -0.148 44.972 45.100 0.034 0.000 0.622 109 G HN 0.471 nan 8.290 nan 0.000 0.507 110 L N 0.310 121.588 121.223 0.091 0.000 2.141 110 L HA 0.139 4.479 4.340 -0.000 0.000 0.209 110 L C 2.904 179.826 176.870 0.088 0.000 1.094 110 L CA 1.746 56.715 54.840 0.214 0.000 0.763 110 L CB -0.381 41.883 42.059 0.342 0.000 0.908 110 L HN 0.485 nan 8.230 nan 0.000 0.437 111 M N -0.164 119.245 119.600 -0.319 0.000 2.117 111 M HA -0.200 4.280 4.480 -0.000 0.000 0.262 111 M C 2.386 178.487 176.300 -0.332 0.000 1.065 111 M CA 1.983 56.833 55.300 -0.750 0.000 1.114 111 M CB -0.073 32.047 32.600 -0.800 0.000 1.361 111 M HN 0.264 nan 8.290 nan 0.000 0.408 112 A N -0.257 122.450 122.820 -0.189 0.000 1.933 112 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 112 A C 2.003 179.545 177.584 -0.069 0.000 1.175 112 A CA 1.920 53.879 52.037 -0.130 0.000 0.628 112 A CB -0.917 18.036 19.000 -0.078 0.000 0.814 112 A HN 0.725 nan 8.150 nan 0.000 0.444 113 Q N -0.664 119.152 119.800 0.025 0.000 2.084 113 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 113 Q C 2.227 178.279 176.000 0.088 0.000 0.978 113 Q CA 1.498 57.385 55.803 0.141 0.000 0.844 113 Q CB -0.306 28.620 28.738 0.312 0.000 0.898 113 Q HN 0.634 nan 8.270 nan 0.000 0.426 114 A N 0.541 123.289 122.820 -0.120 0.000 1.873 114 A HA -0.224 4.096 4.320 -0.000 0.000 0.215 114 A C 1.905 179.278 177.584 -0.351 0.000 1.186 114 A CA 1.519 53.167 52.037 -0.648 0.000 0.616 114 A CB -0.529 17.967 19.000 -0.841 0.000 0.823 114 A HN 0.495 nan 8.150 nan 0.000 0.442 115 Q N -0.769 118.892 119.800 -0.233 0.000 2.170 115 Q HA -0.222 4.118 4.340 -0.000 0.000 0.203 115 Q C 2.223 178.135 176.000 -0.146 0.000 0.976 115 Q CA 1.660 57.332 55.803 -0.217 0.000 0.858 115 Q CB -0.155 28.383 28.738 -0.334 0.000 0.907 115 Q HN 0.780 nan 8.270 nan 0.000 0.433 116 Q N -0.007 119.730 119.800 -0.105 0.000 2.096 116 Q HA -0.112 4.227 4.340 -0.000 0.000 0.197 116 Q C 2.003 177.990 176.000 -0.021 0.000 0.964 116 Q CA 0.963 56.737 55.803 -0.048 0.000 0.838 116 Q CB 0.212 28.942 28.738 -0.013 0.000 0.906 116 Q HN 0.382 nan 8.270 nan 0.000 0.444 117 Q N -0.232 119.560 119.800 -0.012 0.000 2.123 117 Q HA 0.002 4.342 4.340 -0.000 0.000 0.196 117 Q C 1.823 177.813 176.000 -0.016 0.000 0.958 117 Q CA 0.840 56.667 55.803 0.041 0.000 0.841 117 Q CB 0.355 29.215 28.738 0.204 0.000 0.915 117 Q HN 0.340 nan 8.270 nan 0.000 0.455 118 L N -1.423 119.727 121.223 -0.122 0.000 2.515 118 L HA 0.312 4.652 4.340 -0.000 0.000 0.223 118 L C 0.600 177.436 176.870 -0.055 0.000 1.079 118 L CA 0.195 54.974 54.840 -0.102 0.000 0.857 118 L CB 0.481 42.418 42.059 -0.203 0.000 1.050 118 L HN 0.193 nan 8.230 nan 0.000 0.476 119 G N 1.332 110.094 108.800 -0.064 0.000 3.209 119 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.686 119 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.686 119 G C 0.153 175.046 174.900 -0.011 0.000 1.065 119 G CA -0.004 45.075 45.100 -0.036 0.000 0.812 119 G HN 0.097 nan 8.290 nan 0.000 0.573 120 K N 1.121 121.486 120.400 -0.059 0.000 2.009 120 K HA -0.115 4.205 4.320 -0.000 0.000 0.210 120 K C 2.684 179.382 176.600 0.164 0.000 1.049 120 K CA 1.589 57.833 56.287 -0.072 0.000 0.929 120 K CB -0.158 32.195 32.500 -0.244 0.000 0.714 120 K HN 0.469 nan 8.250 nan 0.000 0.440 121 R N 0.846 121.405 120.500 0.098 0.000 2.096 121 R HA -0.177 4.162 4.340 -0.000 0.000 0.240 121 R C 2.037 178.437 176.300 0.168 0.000 1.139 121 R CA 2.115 58.301 56.100 0.145 0.000 0.952 121 R CB -0.680 29.666 30.300 0.077 0.000 0.854 121 R HN 0.439 nan 8.270 nan 0.000 0.436 122 D N 0.145 120.610 120.400 0.108 0.000 2.084 122 D HA -0.112 4.528 4.640 -0.000 0.000 0.194 122 D C 2.000 178.351 176.300 0.086 0.000 0.990 122 D CA 1.283 55.328 54.000 0.074 0.000 0.826 122 D CB -0.099 40.721 40.800 0.034 0.000 0.971 122 D HN 0.163 nan 8.370 nan 0.000 0.453 123 I N -0.432 120.216 120.570 0.131 0.000 2.208 123 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 123 I C 2.043 178.208 176.117 0.080 0.000 1.097 123 I CA 1.035 62.403 61.300 0.113 0.000 1.363 123 I CB -0.437 37.700 38.000 0.227 0.000 1.051 123 I HN 0.147 nan 8.210 nan 0.000 0.413 124 Y N 1.586 121.924 120.300 0.064 0.000 2.242 124 Y HA -0.222 4.328 4.550 -0.000 0.000 0.291 124 Y C 2.632 178.510 175.900 -0.038 0.000 1.137 124 Y CA 1.400 59.480 58.100 -0.034 0.000 1.181 124 Y CB -0.117 38.411 38.460 0.112 0.000 0.989 124 Y HN 0.146 nan 8.280 nan 0.000 0.527 125 Q N 0.216 120.023 119.800 0.013 0.000 2.167 125 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 125 Q C 2.268 178.193 176.000 -0.125 0.000 0.970 125 Q CA 1.500 57.262 55.803 -0.069 0.000 0.855 125 Q CB -0.331 28.410 28.738 0.006 0.000 0.911 125 Q HN 0.518 nan 8.270 nan 0.000 0.438 126 R N -0.036 120.405 120.500 -0.098 0.000 2.075 126 R HA -0.016 4.324 4.340 -0.000 0.000 0.226 126 R C 2.398 178.610 176.300 -0.146 0.000 1.114 126 R CA 1.537 57.578 56.100 -0.099 0.000 0.972 126 R CB -0.040 30.222 30.300 -0.064 0.000 0.869 126 R HN 0.318 nan 8.270 nan 0.000 0.437 127 S N -1.358 114.223 115.700 -0.198 0.000 2.502 127 S HA 0.129 4.599 4.470 -0.000 0.000 0.228 127 S C 1.552 175.971 174.600 -0.301 0.000 1.061 127 S CA 0.387 58.454 58.200 -0.222 0.000 0.935 127 S CB 0.647 63.715 63.200 -0.219 0.000 0.809 127 S HN 0.432 nan 8.310 nan 0.000 0.510 128 G N 1.699 110.196 108.800 -0.506 0.000 2.203 128 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.263 128 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.263 128 G C -0.064 174.564 174.900 -0.452 0.000 1.012 128 G CA 0.509 45.188 45.100 -0.701 0.000 0.749 128 G HN 0.514 nan 8.290 nan 0.000 0.512 129 I N 0.825 121.192 120.570 -0.339 0.000 2.412 129 I HA 0.269 4.438 4.170 -0.000 0.000 0.296 129 I C 1.075 177.121 176.117 -0.119 0.000 0.987 129 I CA -1.187 60.004 61.300 -0.182 0.000 1.180 129 I CB 1.421 39.295 38.000 -0.209 0.000 1.340 129 I HN 0.545 nan 8.210 nan 0.000 0.455 130 Q N 4.559 124.343 119.800 -0.028 0.000 2.386 130 Q HA 0.091 4.431 4.340 -0.000 0.000 0.282 130 Q C -1.396 174.510 176.000 -0.156 0.000 1.050 130 Q CA 0.312 56.103 55.803 -0.020 0.000 0.918 130 Q CB 0.210 28.961 28.738 0.020 0.000 1.266 130 Q HN 0.343 nan 8.270 nan 0.000 0.423 131 F N 2.351 122.324 119.950 0.039 0.000 2.438 131 F HA 0.304 4.831 4.527 -0.000 0.000 0.360 131 F C -0.204 175.565 175.800 -0.052 0.000 1.118 131 F CA -0.313 57.703 58.000 0.026 0.000 1.164 131 F CB 0.443 39.440 39.000 -0.006 0.000 1.131 131 F HN 0.331 nan 8.300 nan 0.000 0.527 132 L N 6.426 127.660 121.223 0.019 0.000 2.362 132 L HA 0.379 4.719 4.340 -0.000 0.000 0.275 132 L C -1.525 175.223 176.870 -0.202 0.000 0.998 132 L CA -1.911 52.768 54.840 -0.268 0.000 0.820 132 L CB 2.309 43.893 42.059 -0.791 0.000 1.270 132 L HN 0.274 nan 8.230 nan 0.000 0.415 133 P HA -0.159 nan 4.420 nan 0.000 0.225 133 P C 0.729 178.153 177.300 0.207 0.000 1.148 133 P CA 1.192 64.285 63.100 -0.011 0.000 0.779 133 P CB -0.049 31.708 31.700 0.096 0.000 0.780 134 F N -2.746 117.393 119.950 0.314 0.000 2.639 134 F HA 0.435 4.961 4.527 -0.000 0.000 0.302 134 F C 0.247 176.261 175.800 0.357 0.000 1.097 134 F CA -1.708 56.502 58.000 0.351 0.000 1.294 134 F CB -1.433 37.782 39.000 0.358 0.000 1.027 134 F HN -0.341 nan 8.300 nan 0.000 0.550 135 N N 1.422 120.268 118.700 0.243 0.000 2.395 135 N HA -0.023 4.717 4.740 -0.000 0.000 0.246 135 N C 1.362 176.984 175.510 0.188 0.000 1.246 135 N CA 0.669 53.807 53.050 0.147 0.000 0.879 135 N CB 0.991 39.468 38.487 -0.017 0.000 1.098 135 N HN 0.152 nan 8.380 nan 0.000 0.444 136 T N 1.162 115.809 114.554 0.155 0.000 2.778 136 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 136 T C 1.904 176.630 174.700 0.043 0.000 1.050 136 T CA 0.736 62.951 62.100 0.191 0.000 1.137 136 T CB -0.141 68.809 68.868 0.136 0.000 0.860 136 T HN 0.407 nan 8.240 nan 0.000 0.468 137 L N 0.721 121.848 121.223 -0.161 0.000 2.043 137 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 137 L C 1.822 178.644 176.870 -0.080 0.000 1.075 137 L CA 1.817 56.504 54.840 -0.254 0.000 0.752 137 L CB -0.755 40.962 42.059 -0.570 0.000 0.891 137 L HN 0.341 nan 8.230 nan 0.000 0.432 138 Y N -1.470 119.017 120.300 0.312 0.000 2.503 138 Y HA 0.118 4.668 4.550 -0.000 0.000 0.278 138 Y C 2.543 178.632 175.900 0.315 0.000 1.111 138 Y CA 0.315 58.635 58.100 0.366 0.000 1.270 138 Y CB -0.690 37.959 38.460 0.315 0.000 1.063 138 Y HN 0.256 nan 8.280 nan 0.000 0.548 139 Q N 0.195 120.250 119.800 0.425 0.000 2.119 139 Q HA -0.094 4.246 4.340 -0.000 0.000 0.201 139 Q C 1.987 178.233 176.000 0.410 0.000 0.972 139 Q CA 1.251 57.328 55.803 0.458 0.000 0.847 139 Q CB -0.160 28.951 28.738 0.623 0.000 0.903 139 Q HN 0.508 nan 8.270 nan 0.000 0.433 140 L N -0.011 121.382 121.223 0.283 0.000 2.217 140 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 140 L C 2.479 179.434 176.870 0.143 0.000 1.107 140 L CA 0.541 55.493 54.840 0.187 0.000 0.783 140 L CB -0.163 41.930 42.059 0.057 0.000 0.919 140 L HN 0.088 nan 8.230 nan 0.000 0.442 141 R N 0.848 121.424 120.500 0.126 0.000 2.066 141 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 141 R C 2.290 178.616 176.300 0.044 0.000 1.131 141 R CA 1.676 57.762 56.100 -0.023 0.000 0.955 141 R CB -0.599 29.632 30.300 -0.115 0.000 0.851 141 R HN 0.259 nan 8.270 nan 0.000 0.432 142 A N 0.649 123.564 122.820 0.158 0.000 1.892 142 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 142 A C 2.140 179.817 177.584 0.154 0.000 1.188 142 A CA 1.762 53.901 52.037 0.170 0.000 0.631 142 A CB -0.832 18.309 19.000 0.235 0.000 0.822 142 A HN 0.407 nan 8.150 nan 0.000 0.447 143 L N 0.143 121.475 121.223 0.182 0.000 2.027 143 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 143 L C 2.809 179.752 176.870 0.121 0.000 1.074 143 L CA 2.846 57.784 54.840 0.163 0.000 0.745 143 L CB -0.737 41.458 42.059 0.226 0.000 0.898 143 L HN 0.569 nan 8.230 nan 0.000 0.433 144 T N -3.968 110.650 114.554 0.107 0.000 2.915 144 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 144 T C 1.680 176.396 174.700 0.026 0.000 1.071 144 T CA 1.346 63.488 62.100 0.069 0.000 1.132 144 T CB -0.409 68.478 68.868 0.031 0.000 0.878 144 T HN 0.470 nan 8.240 nan 0.000 0.479 145 E N 0.999 121.206 120.200 0.013 0.000 2.086 145 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 145 E C 2.480 179.101 176.600 0.035 0.000 0.975 145 E CA 0.797 57.198 56.400 0.001 0.000 0.813 145 E CB -0.013 29.675 29.700 -0.020 0.000 0.768 145 E HN 0.630 nan 8.360 nan 0.000 0.457 146 Q N -0.022 119.817 119.800 0.065 0.000 2.250 146 Q HA -0.002 4.338 4.340 -0.000 0.000 0.200 146 Q C 0.220 176.267 176.000 0.079 0.000 0.941 146 Q CA 0.607 56.459 55.803 0.083 0.000 0.872 146 Q CB 0.505 29.318 28.738 0.125 0.000 0.965 146 Q HN -0.034 nan 8.270 nan 0.000 0.480 147 Q N 0.192 120.036 119.800 0.073 0.000 2.907 147 Q HA 0.153 4.493 4.340 -0.000 0.000 0.262 147 Q C -2.141 173.896 176.000 0.061 0.000 0.997 147 Q CA -1.362 54.476 55.803 0.059 0.000 0.797 147 Q CB 1.465 30.226 28.738 0.039 0.000 1.228 147 Q HN 0.036 nan 8.270 nan 0.000 0.466 148 P HA -0.071 nan 4.420 nan 0.000 0.249 148 P C 0.467 177.805 177.300 0.063 0.000 1.229 148 P CA 0.545 63.679 63.100 0.057 0.000 0.788 148 P CB 0.585 32.308 31.700 0.038 0.000 1.072 149 E N 0.375 120.615 120.200 0.066 0.000 2.442 149 E HA 0.002 4.352 4.350 -0.000 0.000 0.195 149 E C 1.550 178.238 176.600 0.147 0.000 1.030 149 E CA 0.343 56.795 56.400 0.086 0.000 0.869 149 E CB -0.850 28.892 29.700 0.070 0.000 0.857 149 E HN 0.288 nan 8.360 nan 0.000 0.505 150 L N 0.358 121.651 121.223 0.116 0.000 2.249 150 L HA 0.110 4.450 4.340 -0.000 0.000 0.207 150 L C 2.558 179.518 176.870 0.149 0.000 1.090 150 L CA 0.211 55.132 54.840 0.135 0.000 0.802 150 L CB -0.334 41.741 42.059 0.027 0.000 0.947 150 L HN -0.027 nan 8.230 nan 0.000 0.453 151 I N 0.810 121.453 120.570 0.122 0.000 2.113 151 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 151 I C -0.313 175.872 176.117 0.114 0.000 1.057 151 I CA 1.922 63.318 61.300 0.160 0.000 1.314 151 I CB -1.578 36.526 38.000 0.173 0.000 1.022 151 I HN 0.242 nan 8.210 nan 0.000 0.408 152 P HA -0.147 nan 4.420 nan 0.000 0.218 152 P C 1.175 178.367 177.300 -0.180 0.000 1.149 152 P CA 1.639 64.675 63.100 -0.105 0.000 0.817 152 P CB -0.168 31.392 31.700 -0.233 0.000 0.785 153 H N -1.359 117.687 119.070 -0.040 0.000 2.462 153 H HA 0.096 4.652 4.556 -0.000 0.000 0.292 153 H C 0.796 176.034 175.328 -0.151 0.000 1.049 153 H CA 0.089 56.091 56.048 -0.076 0.000 1.334 153 H CB -0.700 29.017 29.762 -0.074 0.000 1.404 153 H HN 0.121 nan 8.280 nan 0.000 0.544 154 I N 1.125 121.609 120.570 -0.143 0.000 2.517 154 I HA 0.015 4.185 4.170 -0.000 0.000 0.285 154 I C 0.972 176.781 176.117 -0.513 0.000 1.106 154 I CA -0.065 60.946 61.300 -0.482 0.000 1.402 154 I CB 1.260 38.647 38.000 -1.022 0.000 1.399 154 I HN 0.265 nan 8.210 nan 0.000 0.535 155 A N 6.090 128.628 122.820 -0.470 0.000 2.013 155 A HA 0.212 4.532 4.320 -0.000 0.000 0.204 155 A C 0.682 177.806 177.584 -0.766 0.000 1.262 155 A CA 0.609 52.359 52.037 -0.478 0.000 0.800 155 A CB 0.275 19.080 19.000 -0.325 0.000 0.909 155 A HN 0.688 nan 8.150 nan 0.000 0.472 156 H N -1.356 117.491 119.070 -0.372 0.000 2.851 156 H HA 0.637 5.193 4.556 -0.000 0.000 0.372 156 H C -1.127 173.975 175.328 -0.377 0.000 1.158 156 H CA -0.210 55.685 56.048 -0.255 0.000 1.159 156 H CB 1.866 31.576 29.762 -0.088 0.000 1.757 156 H HN 0.281 nan 8.280 nan 0.000 0.546 157 A N 3.735 126.424 122.820 -0.218 0.000 2.311 157 A HA 0.570 4.890 4.320 -0.000 0.000 0.306 157 A C -0.799 176.834 177.584 0.082 0.000 1.189 157 A CA -0.597 51.313 52.037 -0.211 0.000 0.791 157 A CB 0.464 19.169 19.000 -0.491 0.000 1.172 157 A HN 0.497 nan 8.150 nan 0.000 0.481 158 L N 3.331 124.582 121.223 0.047 0.000 2.322 158 L HA 0.462 4.802 4.340 -0.000 0.000 0.281 158 L C -0.289 176.643 176.870 0.104 0.000 1.014 158 L CA -0.655 54.175 54.840 -0.017 0.000 0.815 158 L CB 1.666 43.615 42.059 -0.183 0.000 1.247 158 L HN 0.617 nan 8.230 nan 0.000 0.421 159 L N 2.246 123.554 121.223 0.141 0.000 2.467 159 L HA 0.042 4.382 4.340 -0.000 0.000 0.270 159 L C 1.462 178.340 176.870 0.012 0.000 1.205 159 L CA -0.335 54.590 54.840 0.141 0.000 0.828 159 L CB 0.367 42.517 42.059 0.151 0.000 1.101 159 L HN 0.733 nan 8.230 nan 0.000 0.479 160 M N 2.924 122.479 119.600 -0.075 0.000 2.113 160 M HA -0.160 4.320 4.480 -0.000 0.000 0.255 160 M C -0.962 175.306 176.300 -0.053 0.000 1.073 160 M CA 2.536 57.725 55.300 -0.185 0.000 1.091 160 M CB -1.155 31.130 32.600 -0.525 0.000 1.309 160 M HN 0.392 nan 8.290 nan 0.000 0.407 161 P HA -0.077 nan 4.420 nan 0.000 0.219 161 P C 0.723 178.037 177.300 0.023 0.000 1.150 161 P CA 1.293 64.409 63.100 0.025 0.000 0.814 161 P CB -0.220 31.462 31.700 -0.031 0.000 0.787 162 D N -1.738 118.644 120.400 -0.031 0.000 2.183 162 D HA -0.156 4.484 4.640 -0.000 0.000 0.203 162 D C 1.834 178.087 176.300 -0.078 0.000 0.969 162 D CA 0.925 54.870 54.000 -0.092 0.000 0.842 162 D CB -0.724 39.956 40.800 -0.201 0.000 0.957 162 D HN 0.170 nan 8.370 nan 0.000 0.484 163 Y N 0.926 121.110 120.300 -0.194 0.000 2.128 163 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 163 Y C 1.921 177.713 175.900 -0.179 0.000 1.154 163 Y CA 1.496 59.455 58.100 -0.234 0.000 1.149 163 Y CB -0.604 37.613 38.460 -0.404 0.000 0.976 163 Y HN -0.181 nan 8.280 nan 0.000 0.505 164 F N -0.339 119.505 119.950 -0.176 0.000 2.259 164 F HA -0.120 4.406 4.527 -0.000 0.000 0.298 164 F C 2.649 178.317 175.800 -0.219 0.000 1.088 164 F CA 1.489 59.330 58.000 -0.265 0.000 1.358 164 F CB -0.945 37.979 39.000 -0.127 0.000 1.040 164 F HN -0.037 nan 8.300 nan 0.000 0.505 165 S N -0.958 114.747 115.700 0.009 0.000 2.383 165 S HA -0.233 4.237 4.470 -0.000 0.000 0.227 165 S C 1.890 176.462 174.600 -0.047 0.000 1.026 165 S CA 1.121 59.302 58.200 -0.032 0.000 0.981 165 S CB -0.641 62.536 63.200 -0.037 0.000 0.818 165 S HN 0.526 nan 8.310 nan 0.000 0.472 166 Y N 2.686 122.866 120.300 -0.201 0.000 2.200 166 Y HA -0.052 4.498 4.550 -0.000 0.000 0.290 166 Y C 2.194 177.981 175.900 -0.188 0.000 1.137 166 Y CA 1.325 59.300 58.100 -0.208 0.000 1.163 166 Y CB -0.227 38.078 38.460 -0.258 0.000 0.988 166 Y HN -0.021 nan 8.280 nan 0.000 0.518 167 R N 0.520 120.745 120.500 -0.458 0.000 2.159 167 R HA -0.108 4.232 4.340 -0.000 0.000 0.237 167 R C 2.175 178.327 176.300 -0.247 0.000 1.131 167 R CA 1.494 57.312 56.100 -0.470 0.000 0.982 167 R CB -0.877 29.189 30.300 -0.389 0.000 0.868 167 R HN 0.472 nan 8.270 nan 0.000 0.453 168 L N -0.440 120.705 121.223 -0.130 0.000 2.202 168 L HA -0.025 4.314 4.340 -0.000 0.000 0.205 168 L C 2.356 179.286 176.870 0.100 0.000 1.083 168 L CA 1.486 56.364 54.840 0.062 0.000 0.790 168 L CB -0.451 41.599 42.059 -0.015 0.000 0.942 168 L HN 0.248 nan 8.230 nan 0.000 0.452 169 T N -4.330 110.208 114.554 -0.027 0.000 3.004 169 T HA 0.241 4.591 4.350 -0.000 0.000 0.243 169 T C 1.539 176.198 174.700 -0.067 0.000 1.020 169 T CA 0.763 62.861 62.100 -0.002 0.000 1.145 169 T CB 0.572 69.441 68.868 0.002 0.000 0.876 169 T HN 0.353 nan 8.240 nan 0.000 0.449 170 G N 1.383 110.065 108.800 -0.197 0.000 2.179 170 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.220 170 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.220 170 G C -0.138 174.820 174.900 0.096 0.000 0.990 170 G CA -0.112 44.870 45.100 -0.197 0.000 0.646 170 G HN 0.648 nan 8.290 nan 0.000 0.517 171 K N 0.626 121.099 120.400 0.121 0.000 2.221 171 K HA 0.669 4.989 4.320 -0.000 0.000 0.258 171 K C 0.354 177.008 176.600 0.090 0.000 0.944 171 K CA -0.559 55.798 56.287 0.117 0.000 0.823 171 K CB 1.525 34.054 32.500 0.049 0.000 1.113 171 K HN 0.282 nan 8.250 nan 0.000 0.431 172 M N 1.792 121.349 119.600 -0.072 0.000 2.277 172 M HA 0.293 4.773 4.480 -0.000 0.000 0.350 172 M C 0.231 176.274 176.300 -0.427 0.000 1.180 172 M CA -0.296 54.759 55.300 -0.408 0.000 1.103 172 M CB 1.053 33.239 32.600 -0.690 0.000 1.577 172 M HN 0.499 nan 8.290 nan 0.000 0.459 173 N N 1.649 119.965 118.700 -0.639 0.000 2.357 173 N HA 0.460 5.199 4.740 -0.000 0.000 0.284 173 N C -2.135 173.058 175.510 -0.529 0.000 1.236 173 N CA -0.463 52.393 53.050 -0.322 0.000 0.774 173 N CB 2.440 40.851 38.487 -0.127 0.000 1.534 173 N HN 0.674 nan 8.380 nan 0.000 0.478 174 W N 2.418 123.795 121.300 0.129 0.000 2.516 174 W HA 0.207 4.866 4.660 -0.000 0.000 0.293 174 W C -0.013 176.582 176.519 0.125 0.000 1.006 174 W CA -0.474 56.993 57.345 0.202 0.000 1.483 174 W CB 0.975 30.659 29.460 0.374 0.000 1.316 174 W HN 0.421 nan 8.180 nan 0.000 0.411 175 E N 2.009 122.327 120.200 0.196 0.000 2.316 175 E HA -0.070 4.280 4.350 -0.000 0.000 0.275 175 E C 0.592 177.239 176.600 0.077 0.000 1.029 175 E CA 0.018 56.484 56.400 0.111 0.000 0.871 175 E CB 1.190 30.921 29.700 0.052 0.000 1.022 175 E HN 0.495 nan 8.360 nan 0.000 0.418 176 Y N 4.470 124.711 120.300 -0.097 0.000 2.070 176 Y HA -0.316 4.234 4.550 -0.000 0.000 0.280 176 Y C 2.320 178.136 175.900 -0.140 0.000 1.148 176 Y CA 3.081 61.056 58.100 -0.208 0.000 1.125 176 Y CB -0.598 37.615 38.460 -0.413 0.000 0.975 176 Y HN 0.640 nan 8.280 nan 0.000 0.492 177 T N -1.437 112.927 114.554 -0.316 0.000 2.759 177 T HA -0.242 4.108 4.350 -0.000 0.000 0.269 177 T C 1.799 176.330 174.700 -0.280 0.000 1.042 177 T CA 1.845 63.723 62.100 -0.369 0.000 1.140 177 T CB -0.744 68.078 68.868 -0.077 0.000 0.864 177 T HN 0.423 nan 8.240 nan 0.000 0.455 178 N N 1.700 120.304 118.700 -0.160 0.000 2.333 178 N HA 0.225 4.965 4.740 -0.000 0.000 0.178 178 N C 2.135 177.550 175.510 -0.159 0.000 1.018 178 N CA 1.149 54.107 53.050 -0.153 0.000 0.882 178 N CB -0.667 37.796 38.487 -0.041 0.000 0.984 178 N HN 0.527 nan 8.380 nan 0.000 0.434 179 A N -0.229 122.517 122.820 -0.123 0.000 1.948 179 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 179 A C 2.208 179.661 177.584 -0.218 0.000 1.177 179 A CA 2.436 54.423 52.037 -0.082 0.000 0.636 179 A CB -1.496 17.381 19.000 -0.205 0.000 0.815 179 A HN 0.583 nan 8.150 nan 0.000 0.449 180 T N -2.257 112.077 114.554 -0.368 0.000 2.962 180 T HA -0.140 4.209 4.350 -0.000 0.000 0.270 180 T C 1.709 176.263 174.700 -0.244 0.000 1.088 180 T CA 1.961 63.859 62.100 -0.336 0.000 1.127 180 T CB -1.258 67.358 68.868 -0.420 0.000 0.883 180 T HN 0.676 nan 8.240 nan 0.000 0.493 181 T N 0.499 114.894 114.554 -0.265 0.000 3.051 181 T HA -0.085 4.265 4.350 -0.000 0.000 0.269 181 T C 2.029 176.647 174.700 -0.137 0.000 1.127 181 T CA 1.328 63.276 62.100 -0.254 0.000 1.107 181 T CB -1.071 67.545 68.868 -0.421 0.000 0.898 181 T HN 0.653 nan 8.240 nan 0.000 0.517 182 T N -1.282 113.223 114.554 -0.082 0.000 3.023 182 T HA 0.063 4.413 4.350 -0.000 0.000 0.266 182 T C 1.200 175.845 174.700 -0.092 0.000 1.093 182 T CA 0.785 62.873 62.100 -0.020 0.000 1.129 182 T CB -0.629 68.283 68.868 0.075 0.000 0.899 182 T HN 0.519 nan 8.240 nan 0.000 0.491 183 Q N -0.254 119.467 119.800 -0.132 0.000 2.494 183 Q HA -0.138 4.202 4.340 -0.000 0.000 0.272 183 Q C 0.172 176.088 176.000 -0.140 0.000 1.145 183 Q CA 0.526 56.223 55.803 -0.177 0.000 0.943 183 Q CB -1.650 26.940 28.738 -0.246 0.000 1.338 183 Q HN 0.712 nan 8.270 nan 0.000 0.492 184 L N -1.324 119.860 121.223 -0.065 0.000 2.920 184 L HA 0.283 4.623 4.340 -0.000 0.000 0.257 184 L C -0.075 176.831 176.870 0.060 0.000 1.150 184 L CA -0.165 54.682 54.840 0.010 0.000 0.959 184 L CB 1.317 43.396 42.059 0.032 0.000 1.321 184 L HN -0.029 nan 8.230 nan 0.000 0.555 185 V N 0.989 120.848 119.914 -0.091 0.000 2.407 185 V HA 0.181 4.301 4.120 -0.000 0.000 0.278 185 V C 0.250 176.252 176.094 -0.155 0.000 1.037 185 V CA -0.678 61.481 62.300 -0.236 0.000 0.900 185 V CB 1.365 32.940 31.823 -0.414 0.000 0.983 185 V HN 0.201 nan 8.190 nan 0.000 0.459 186 N N 3.557 122.180 118.700 -0.129 0.000 2.452 186 N HA 0.117 4.857 4.740 -0.000 0.000 0.266 186 N C 0.919 176.382 175.510 -0.079 0.000 1.175 186 N CA 0.027 53.020 53.050 -0.095 0.000 0.945 186 N CB 1.230 39.675 38.487 -0.071 0.000 1.063 186 N HN 0.797 nan 8.380 nan 0.000 0.472 187 I N 4.014 124.539 120.570 -0.075 0.000 2.756 187 I HA -0.216 3.954 4.170 -0.000 0.000 0.262 187 I C 0.915 177.031 176.117 -0.001 0.000 1.225 187 I CA 1.041 62.325 61.300 -0.026 0.000 1.472 187 I CB 0.131 38.072 38.000 -0.099 0.000 1.094 187 I HN 0.576 nan 8.210 nan 0.000 0.454 188 N N -0.739 117.939 118.700 -0.036 0.000 2.395 188 N HA -0.074 4.666 4.740 -0.000 0.000 0.175 188 N C 1.607 177.104 175.510 -0.022 0.000 1.029 188 N CA 1.026 54.058 53.050 -0.029 0.000 0.897 188 N CB 0.222 38.682 38.487 -0.044 0.000 0.991 188 N HN 0.297 nan 8.380 nan 0.000 0.441 189 S N -1.051 114.629 115.700 -0.034 0.000 2.505 189 S HA 0.139 4.609 4.470 -0.000 0.000 0.216 189 S C 0.032 174.595 174.600 -0.062 0.000 1.018 189 S CA -0.179 57.994 58.200 -0.045 0.000 0.911 189 S CB 0.422 63.591 63.200 -0.052 0.000 0.818 189 S HN -0.027 nan 8.310 nan 0.000 0.497 190 D N 1.361 121.726 120.400 -0.058 0.000 2.945 190 D HA -0.104 4.536 4.640 -0.000 0.000 0.225 190 D C -0.587 175.587 176.300 -0.211 0.000 1.158 190 D CA 1.515 55.465 54.000 -0.084 0.000 0.805 190 D CB -1.224 39.506 40.800 -0.116 0.000 1.098 190 D HN 0.547 nan 8.370 nan 0.000 0.426 191 D N -1.722 118.538 120.400 -0.234 0.000 2.531 191 D HA 0.388 5.028 4.640 -0.000 0.000 0.244 191 D C -0.422 175.675 176.300 -0.339 0.000 1.090 191 D CA -0.722 53.072 54.000 -0.343 0.000 0.989 191 D CB 0.623 41.328 40.800 -0.159 0.000 1.433 191 D HN -0.067 nan 8.370 nan 0.000 0.492 192 W N 1.360 122.583 121.300 -0.129 0.000 2.264 192 W HA 0.120 4.780 4.660 -0.000 0.000 0.331 192 W C 1.054 177.486 176.519 -0.146 0.000 1.364 192 W CA -0.292 56.942 57.345 -0.186 0.000 1.253 192 W CB 0.212 29.512 29.460 -0.267 0.000 1.215 192 W HN 0.082 nan 8.180 nan 0.000 0.561 193 D N 3.630 124.076 120.400 0.077 0.000 2.348 193 D HA -0.053 4.587 4.640 -0.000 0.000 0.253 193 D C 1.013 177.323 176.300 0.017 0.000 1.161 193 D CA 0.063 54.073 54.000 0.017 0.000 0.876 193 D CB 1.098 41.889 40.800 -0.014 0.000 1.160 193 D HN 0.466 nan 8.370 nan 0.000 0.459 194 E N 1.970 122.173 120.200 0.006 0.000 2.031 194 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 194 E C 1.971 178.570 176.600 -0.001 0.000 0.994 194 E CA 1.207 57.603 56.400 -0.006 0.000 0.800 194 E CB -0.359 29.335 29.700 -0.009 0.000 0.752 194 E HN 0.611 nan 8.360 nan 0.000 0.447 195 S N 1.026 116.732 115.700 0.011 0.000 2.383 195 S HA -0.071 4.399 4.470 -0.000 0.000 0.227 195 S C 2.284 176.924 174.600 0.067 0.000 1.026 195 S CA 0.707 58.928 58.200 0.035 0.000 0.981 195 S CB -0.583 62.633 63.200 0.027 0.000 0.818 195 S HN 0.154 nan 8.310 nan 0.000 0.472 196 L N 0.583 121.830 121.223 0.040 0.000 2.056 196 L HA 0.056 4.396 4.340 -0.000 0.000 0.207 196 L C 2.718 179.633 176.870 0.074 0.000 1.078 196 L CA 0.974 55.849 54.840 0.057 0.000 0.749 196 L CB -0.660 41.396 42.059 -0.006 0.000 0.901 196 L HN 0.286 nan 8.230 nan 0.000 0.433 197 L N -0.132 121.090 121.223 -0.001 0.000 2.079 197 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 197 L C 2.864 179.709 176.870 -0.042 0.000 1.081 197 L CA 1.162 55.962 54.840 -0.066 0.000 0.752 197 L CB -0.557 41.422 42.059 -0.133 0.000 0.896 197 L HN 0.267 nan 8.230 nan 0.000 0.433 198 A N -0.951 121.870 122.820 0.002 0.000 1.898 198 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 198 A C 1.981 179.600 177.584 0.059 0.000 1.181 198 A CA 1.494 53.534 52.037 0.005 0.000 0.620 198 A CB -1.000 18.015 19.000 0.024 0.000 0.819 198 A HN 0.623 nan 8.150 nan 0.000 0.442 199 W N 1.706 122.988 121.300 -0.030 0.000 2.388 199 W HA -0.197 4.463 4.660 -0.000 0.000 0.294 199 W C 2.638 179.162 176.519 0.008 0.000 1.212 199 W CA 2.401 59.747 57.345 0.002 0.000 1.271 199 W CB -0.123 29.354 29.460 0.028 0.000 1.126 199 W HN 0.418 nan 8.180 nan 0.000 0.535 200 S N -0.351 115.453 115.700 0.174 0.000 2.447 200 S HA 0.051 4.521 4.470 -0.000 0.000 0.233 200 S C 1.875 176.411 174.600 -0.107 0.000 1.006 200 S CA 1.331 59.547 58.200 0.027 0.000 0.957 200 S CB -0.793 62.457 63.200 0.083 0.000 0.773 200 S HN 0.927 nan 8.310 nan 0.000 0.507 201 G N 0.841 109.566 108.800 -0.125 0.000 2.199 201 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.254 201 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.254 201 G C 0.296 175.071 174.900 -0.209 0.000 0.982 201 G CA 0.137 45.149 45.100 -0.146 0.000 0.632 201 G HN 1.325 nan 8.290 nan 0.000 0.529 202 A N -0.244 122.440 122.820 -0.225 0.000 2.366 202 A HA 0.608 4.928 4.320 -0.000 0.000 0.249 202 A C 0.424 177.562 177.584 -0.743 0.000 1.084 202 A CA 0.450 52.191 52.037 -0.492 0.000 0.794 202 A CB 0.405 19.351 19.000 -0.090 0.000 1.034 202 A HN 0.638 nan 8.150 nan 0.000 0.491 203 N N -0.004 117.810 118.700 -1.476 0.000 2.421 203 N HA 0.144 4.884 4.740 -0.000 0.000 0.285 203 N C 1.111 176.248 175.510 -0.622 0.000 1.027 203 N CA -0.573 51.812 53.050 -1.107 0.000 0.918 203 N CB 1.235 38.829 38.487 -1.488 0.000 1.152 203 N HN 0.567 nan 8.380 nan 0.000 0.485 204 K N 2.077 122.273 120.400 -0.339 0.000 2.211 204 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 204 K C 1.162 177.673 176.600 -0.148 0.000 1.047 204 K CA 1.252 57.432 56.287 -0.178 0.000 0.935 204 K CB -0.411 32.012 32.500 -0.129 0.000 0.728 204 K HN 0.451 nan 8.250 nan 0.000 0.452 205 A N 0.805 123.503 122.820 -0.202 0.000 2.168 205 A HA -0.055 4.264 4.320 -0.000 0.000 0.215 205 A C 1.224 178.759 177.584 -0.082 0.000 1.152 205 A CA 0.308 52.266 52.037 -0.131 0.000 0.716 205 A CB -0.706 18.233 19.000 -0.102 0.000 0.794 205 A HN 0.395 nan 8.150 nan 0.000 0.465 206 W N -1.091 119.972 121.300 -0.394 0.000 2.800 206 W HA 0.278 4.938 4.660 -0.000 0.000 0.249 206 W C -0.401 175.599 176.519 -0.864 0.000 1.294 206 W CA -0.251 56.697 57.345 -0.663 0.000 1.402 206 W CB -0.830 28.078 29.460 -0.920 0.000 1.126 206 W HN 0.211 nan 8.180 nan 0.000 0.652 207 F N -0.696 119.024 119.950 -0.383 0.000 2.563 207 F HA 0.679 5.206 4.527 -0.000 0.000 0.316 207 F C 0.866 175.975 175.800 -1.151 0.000 1.076 207 F CA -1.378 56.010 58.000 -1.019 0.000 0.921 207 F CB 0.852 39.033 39.000 -1.365 0.000 1.209 207 F HN -0.295 nan 8.300 nan 0.000 0.462 208 G N 0.528 108.233 108.800 -1.825 0.000 2.491 208 G HA2 0.451 4.411 3.960 -0.000 0.000 0.327 208 G HA3 0.451 4.411 3.960 -0.000 0.000 0.327 208 G C -1.004 173.876 174.900 -0.033 0.000 1.189 208 G CA -1.055 43.579 45.100 -0.775 0.000 0.956 208 G HN 0.664 nan 8.290 nan 0.000 0.491 209 R N 0.677 121.212 120.500 0.058 0.000 2.502 209 R HA 0.067 4.407 4.340 -0.000 0.000 0.292 209 R C -2.135 174.209 176.300 0.073 0.000 0.998 209 R CA -0.775 55.359 56.100 0.057 0.000 1.056 209 R CB 0.161 30.470 30.300 0.014 0.000 0.939 209 R HN 0.168 nan 8.270 nan 0.000 0.411 210 P HA 0.005 nan 4.420 nan 0.000 0.267 210 P C -0.925 176.322 177.300 -0.088 0.000 1.205 210 P CA 0.226 63.292 63.100 -0.056 0.000 0.765 210 P CB 0.872 32.404 31.700 -0.278 0.000 0.828 211 T N -0.134 114.419 114.554 -0.003 0.000 2.823 211 T HA 0.416 4.766 4.350 -0.000 0.000 0.279 211 T C -0.185 174.472 174.700 -0.072 0.000 0.998 211 T CA -0.840 61.232 62.100 -0.045 0.000 0.994 211 T CB 0.318 69.224 68.868 0.063 0.000 0.960 211 T HN 0.272 nan 8.240 nan 0.000 0.448 212 H N 2.898 121.953 119.070 -0.024 0.000 2.790 212 H HA 0.319 4.875 4.556 -0.000 0.000 0.358 212 H C -1.914 173.417 175.328 0.005 0.000 1.103 212 H CA -0.874 55.154 56.048 -0.034 0.000 1.426 212 H CB 0.229 29.893 29.762 -0.162 0.000 1.424 212 H HN 0.490 nan 8.280 nan 0.000 0.599 213 P HA -0.024 nan 4.420 nan 0.000 0.265 213 P C 0.838 178.154 177.300 0.026 0.000 1.187 213 P CA 0.917 64.053 63.100 0.060 0.000 0.766 213 P CB 0.794 32.518 31.700 0.039 0.000 0.820 214 G N 1.571 110.371 108.800 0.001 0.000 2.624 214 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.190 214 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.190 214 G C 0.135 175.027 174.900 -0.014 0.000 1.008 214 G CA -0.254 44.836 45.100 -0.017 0.000 0.731 214 G HN 0.789 nan 8.290 nan 0.000 0.478 215 N N 1.114 119.814 118.700 0.000 0.000 2.482 215 N HA 0.328 5.068 4.740 -0.000 0.000 0.260 215 N C 0.010 175.507 175.510 -0.022 0.000 1.236 215 N CA 0.111 53.161 53.050 -0.001 0.000 0.938 215 N CB 1.733 40.231 38.487 0.018 0.000 1.128 215 N HN 0.182 nan 8.380 nan 0.000 0.448 216 V N 2.823 122.717 119.914 -0.034 0.000 2.408 216 V HA 0.086 4.206 4.120 -0.000 0.000 0.267 216 V C 1.758 177.807 176.094 -0.075 0.000 1.047 216 V CA -0.472 61.780 62.300 -0.078 0.000 0.937 216 V CB 0.121 31.879 31.823 -0.108 0.000 0.999 216 V HN 0.646 nan 8.190 nan 0.000 0.472 217 I N 3.531 124.053 120.570 -0.080 0.000 2.202 217 I HA 0.122 4.292 4.170 -0.000 0.000 0.242 217 I C 1.448 177.527 176.117 -0.064 0.000 1.091 217 I CA 1.708 62.975 61.300 -0.053 0.000 1.368 217 I CB -0.133 37.836 38.000 -0.050 0.000 1.058 217 I HN 0.794 nan 8.210 nan 0.000 0.410 218 G N -1.922 106.794 108.800 -0.142 0.000 2.529 218 G HA2 0.395 4.355 3.960 -0.000 0.000 0.238 218 G HA3 0.395 4.355 3.960 -0.000 0.000 0.238 218 G C -1.648 173.020 174.900 -0.386 0.000 1.207 218 G CA -0.566 44.449 45.100 -0.141 0.000 0.928 218 G HN 0.184 nan 8.290 nan 0.000 0.495 219 H N -1.894 117.205 119.070 0.047 0.000 2.895 219 H HA 0.602 5.158 4.556 -0.000 0.000 0.373 219 H C -1.734 173.674 175.328 0.133 0.000 1.174 219 H CA -0.361 55.730 56.048 0.073 0.000 1.144 219 H CB 2.508 32.288 29.762 0.030 0.000 1.793 219 H HN 0.675 nan 8.280 nan 0.000 0.551 220 W N 3.730 125.076 121.300 0.077 0.000 2.689 220 W HA 0.611 5.271 4.660 -0.000 0.000 0.340 220 W C -1.688 174.844 176.519 0.021 0.000 1.060 220 W CA -0.841 56.516 57.345 0.019 0.000 1.218 220 W CB 1.161 30.614 29.460 -0.012 0.000 1.410 220 W HN 0.374 nan 8.180 nan 0.000 0.528 221 I N 6.117 126.076 120.570 -1.019 0.000 2.354 221 I HA 0.178 4.347 4.170 -0.000 0.000 0.286 221 I C 0.187 175.488 176.117 -1.361 0.000 1.007 221 I CA -1.038 59.747 61.300 -0.858 0.000 1.167 221 I CB -0.227 37.477 38.000 -0.494 0.000 1.320 221 I HN 0.339 nan 8.210 nan 0.000 0.458 222 c N 7.965 125.978 118.600 -0.979 0.000 2.727 222 c HA 0.088 4.658 4.570 -0.000 0.000 0.401 222 c C -0.529 173.326 174.090 -0.392 0.000 1.294 222 c CA -0.425 55.508 56.329 -0.660 0.000 2.134 222 c CB -0.301 42.073 42.510 -0.226 0.000 2.724 222 c HN 0.585 nan 8.230 nan 0.000 0.677 223 P HA -0.143 nan 4.420 nan 0.000 0.231 223 P C 1.193 178.420 177.300 -0.121 0.000 1.154 223 P CA 1.227 64.239 63.100 -0.148 0.000 0.762 223 P CB -0.115 31.541 31.700 -0.072 0.000 0.790 224 Q N -2.339 117.384 119.800 -0.129 0.000 2.431 224 Q HA 0.195 4.535 4.340 -0.000 0.000 0.244 224 Q C 1.268 177.206 176.000 -0.105 0.000 0.880 224 Q CA 1.651 57.398 55.803 -0.094 0.000 0.954 224 Q CB 0.150 28.849 28.738 -0.065 0.000 1.105 224 Q HN 0.209 nan 8.270 nan 0.000 0.558 225 G N 1.882 110.598 108.800 -0.139 0.000 4.077 225 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.199 225 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.199 225 G C -0.318 174.500 174.900 -0.137 0.000 1.302 225 G CA -0.236 44.784 45.100 -0.133 0.000 0.918 225 G HN 0.405 nan 8.290 nan 0.000 0.369 226 N N 2.119 120.755 118.700 -0.107 0.000 2.293 226 N HA 0.054 4.794 4.740 -0.000 0.000 0.253 226 N C -0.596 174.865 175.510 -0.081 0.000 1.248 226 N CA 0.580 53.582 53.050 -0.080 0.000 0.845 226 N CB 1.012 39.471 38.487 -0.046 0.000 1.073 226 N HN 0.541 nan 8.380 nan 0.000 0.464 227 E N 1.648 121.811 120.200 -0.062 0.000 2.259 227 E HA 0.272 4.621 4.350 -0.000 0.000 0.281 227 E C -0.279 176.383 176.600 0.103 0.000 1.037 227 E CA -0.250 56.139 56.400 -0.019 0.000 0.854 227 E CB 0.977 30.585 29.700 -0.154 0.000 1.051 227 E HN 0.508 nan 8.360 nan 0.000 0.409 228 I N 5.651 126.338 120.570 0.196 0.000 2.355 228 I HA 0.228 4.398 4.170 -0.000 0.000 0.288 228 I C -2.177 174.089 176.117 0.249 0.000 0.999 228 I CA -2.636 58.800 61.300 0.227 0.000 1.163 228 I CB 1.455 39.607 38.000 0.253 0.000 1.316 228 I HN 0.218 nan 8.210 nan 0.000 0.454 229 P HA 0.012 nan 4.420 nan 0.000 0.264 229 P C -0.487 176.767 177.300 -0.078 0.000 1.193 229 P CA 0.048 63.092 63.100 -0.092 0.000 0.763 229 P CB 0.778 32.454 31.700 -0.041 0.000 0.810 230 V N 5.386 125.212 119.914 -0.146 0.000 2.350 230 V HA 0.150 4.270 4.120 -0.000 0.000 0.276 230 V C 0.576 176.612 176.094 -0.096 0.000 1.028 230 V CA -0.585 61.666 62.300 -0.082 0.000 0.860 230 V CB 1.623 33.415 31.823 -0.051 0.000 0.990 230 V HN 0.263 nan 8.190 nan 0.000 0.453 231 V N 4.272 124.143 119.914 -0.072 0.000 2.481 231 V HA 0.566 4.686 4.120 -0.000 0.000 0.286 231 V C 0.718 176.780 176.094 -0.053 0.000 1.042 231 V CA -0.620 61.642 62.300 -0.064 0.000 0.928 231 V CB 1.732 33.519 31.823 -0.061 0.000 0.986 231 V HN 0.949 nan 8.190 nan 0.000 0.462 232 A N 5.493 128.289 122.820 -0.040 0.000 2.457 232 A HA 0.529 4.849 4.320 -0.000 0.000 0.298 232 A C 0.212 177.780 177.584 -0.026 0.000 1.288 232 A CA -0.189 51.833 52.037 -0.026 0.000 0.956 232 A CB -0.207 18.790 19.000 -0.005 0.000 1.135 232 A HN 1.096 nan 8.150 nan 0.000 0.535 233 V N 0.468 120.359 119.914 -0.038 0.000 3.556 233 V HA 0.753 4.872 4.120 -0.000 0.000 0.292 233 V C 0.903 176.981 176.094 -0.028 0.000 1.030 233 V CA -0.458 61.812 62.300 -0.050 0.000 1.009 233 V CB 0.679 32.458 31.823 -0.073 0.000 1.242 233 V HN 1.276 nan 8.190 nan 0.000 0.431 234 A N 1.101 123.898 122.820 -0.038 0.000 2.785 234 A HA 0.374 4.694 4.320 -0.000 0.000 0.294 234 A C 1.569 179.143 177.584 -0.017 0.000 1.597 234 A CA 0.438 52.465 52.037 -0.017 0.000 1.283 234 A CB -1.059 17.921 19.000 -0.033 0.000 1.088 234 A HN 1.515 nan 8.150 nan 0.000 0.568 235 S N 1.242 116.942 115.700 -0.000 0.000 2.474 235 S HA -0.140 4.329 4.470 -0.000 0.000 0.235 235 S C 0.836 175.455 174.600 0.032 0.000 0.997 235 S CA 0.715 58.914 58.200 -0.002 0.000 0.949 235 S CB -0.589 62.608 63.200 -0.006 0.000 0.766 235 S HN 0.813 nan 8.310 nan 0.000 0.517 236 H N 2.629 121.656 119.070 -0.071 0.000 2.899 236 H HA 0.052 4.608 4.556 -0.000 0.000 0.303 236 H C 0.912 176.210 175.328 -0.050 0.000 1.042 236 H CA 0.174 56.181 56.048 -0.068 0.000 1.479 236 H CB 0.654 30.367 29.762 -0.081 0.000 1.493 236 H HN 0.401 nan 8.280 nan 0.000 0.534 237 D N 3.155 123.471 120.400 -0.141 0.000 2.149 237 D HA -0.217 4.423 4.640 -0.000 0.000 0.194 237 D C 1.472 177.588 176.300 -0.306 0.000 1.001 237 D CA 1.930 55.831 54.000 -0.166 0.000 0.849 237 D CB -0.630 40.153 40.800 -0.029 0.000 0.939 237 D HN 0.514 nan 8.370 nan 0.000 0.449 238 T N 0.101 114.260 114.554 -0.660 0.000 2.821 238 T HA 0.036 4.386 4.350 -0.000 0.000 0.267 238 T C 2.130 176.600 174.700 -0.383 0.000 1.046 238 T CA 1.691 63.482 62.100 -0.515 0.000 1.139 238 T CB -0.510 68.019 68.868 -0.566 0.000 0.871 238 T HN 0.430 nan 8.240 nan 0.000 0.454 239 A N 1.414 124.017 122.820 -0.363 0.000 1.908 239 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 239 A C 2.599 180.092 177.584 -0.152 0.000 1.181 239 A CA 1.945 53.884 52.037 -0.164 0.000 0.627 239 A CB -0.852 18.123 19.000 -0.042 0.000 0.818 239 A HN 0.439 nan 8.150 nan 0.000 0.445 240 S N -0.373 115.240 115.700 -0.145 0.000 2.383 240 S HA 0.018 4.487 4.470 -0.000 0.000 0.227 240 S C 2.239 176.782 174.600 -0.095 0.000 1.026 240 S CA 1.060 59.195 58.200 -0.109 0.000 0.981 240 S CB -0.352 62.794 63.200 -0.091 0.000 0.818 240 S HN 0.789 nan 8.310 nan 0.000 0.472 241 A N 0.881 123.625 122.820 -0.127 0.000 1.929 241 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 241 A C 2.274 179.771 177.584 -0.146 0.000 1.176 241 A CA 1.039 53.013 52.037 -0.104 0.000 0.628 241 A CB -0.664 18.274 19.000 -0.104 0.000 0.816 241 A HN 0.337 nan 8.150 nan 0.000 0.444 242 V N 0.288 120.046 119.914 -0.260 0.000 2.358 242 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 242 V C 2.397 178.394 176.094 -0.163 0.000 1.047 242 V CA 1.909 63.987 62.300 -0.371 0.000 1.035 242 V CB -0.656 30.803 31.823 -0.607 0.000 0.658 242 V HN 0.576 nan 8.190 nan 0.000 0.452 243 I N 0.625 121.139 120.570 -0.093 0.000 2.194 243 I HA -0.288 3.882 4.170 -0.000 0.000 0.246 243 I C 2.445 178.640 176.117 0.130 0.000 1.093 243 I CA 1.822 63.125 61.300 0.004 0.000 1.355 243 I CB -0.436 37.544 38.000 -0.035 0.000 1.046 243 I HN 0.316 nan 8.210 nan 0.000 0.413 244 A N -0.484 122.412 122.820 0.127 0.000 2.169 244 A HA 0.074 4.394 4.320 -0.000 0.000 0.212 244 A C 1.287 178.887 177.584 0.026 0.000 1.153 244 A CA 0.113 52.267 52.037 0.196 0.000 0.756 244 A CB -0.242 18.884 19.000 0.209 0.000 0.813 244 A HN 0.301 nan 8.150 nan 0.000 0.471 245 S N 2.359 118.045 115.700 -0.022 0.000 2.516 245 S HA 0.270 4.740 4.470 -0.000 0.000 0.282 245 S C -2.261 172.245 174.600 -0.156 0.000 1.286 245 S CA -0.560 57.598 58.200 -0.070 0.000 1.066 245 S CB 0.507 63.675 63.200 -0.053 0.000 0.884 245 S HN 0.339 nan 8.310 nan 0.000 0.491 246 P HA 0.114 nan 4.420 nan 0.000 0.225 246 P C -0.674 176.361 177.300 -0.442 0.000 1.768 246 P CA -0.451 62.504 63.100 -0.242 0.000 0.943 246 P CB -0.275 31.355 31.700 -0.118 0.000 1.936 247 L N 2.823 123.826 121.223 -0.367 0.000 2.513 247 L HA 0.001 4.341 4.340 -0.000 0.000 0.272 247 L C 1.440 178.278 176.870 -0.052 0.000 1.187 247 L CA 0.718 55.405 54.840 -0.254 0.000 0.895 247 L CB -0.488 41.552 42.059 -0.030 0.000 1.147 247 L HN 0.270 nan 8.230 nan 0.000 0.483 248 N N 3.449 122.186 118.700 0.061 0.000 3.331 248 N HA 0.265 5.005 4.740 -0.000 0.000 0.303 248 N C 0.588 176.163 175.510 0.107 0.000 1.326 248 N CA 0.469 53.580 53.050 0.102 0.000 1.207 248 N CB 0.388 38.967 38.487 0.153 0.000 1.477 248 N HN 0.756 nan 8.380 nan 0.000 0.541 249 G N 1.452 110.308 108.800 0.093 0.000 2.512 249 G HA2 -0.371 3.588 3.960 -0.000 0.000 0.240 249 G HA3 -0.371 3.588 3.960 -0.000 0.000 0.240 249 G C 0.701 175.679 174.900 0.130 0.000 1.246 249 G CA 0.365 45.524 45.100 0.097 0.000 0.919 249 G HN 0.676 nan 8.290 nan 0.000 0.577 250 S N 0.063 115.830 115.700 0.113 0.000 2.414 250 S HA -0.026 4.444 4.470 -0.000 0.000 0.227 250 S C 1.712 176.387 174.600 0.125 0.000 1.022 250 S CA 1.499 59.772 58.200 0.121 0.000 0.958 250 S CB -0.157 63.087 63.200 0.073 0.000 0.797 250 S HN 1.176 nan 8.310 nan 0.000 0.493 251 R N 1.503 122.068 120.500 0.109 0.000 2.978 251 R HA 0.672 5.012 4.340 -0.000 0.000 0.298 251 R C -0.055 176.423 176.300 0.297 0.000 1.296 251 R CA 0.044 56.218 56.100 0.124 0.000 1.181 251 R CB -0.167 30.139 30.300 0.011 0.000 1.348 251 R HN 0.333 nan 8.270 nan 0.000 0.585 252 A N 0.738 123.762 122.820 0.341 0.000 2.342 252 A HA 0.795 5.114 4.320 -0.000 0.000 0.323 252 A C -0.501 177.257 177.584 0.290 0.000 1.125 252 A CA -0.691 51.552 52.037 0.343 0.000 0.785 252 A CB 1.399 20.599 19.000 0.334 0.000 1.221 252 A HN 0.451 nan 8.150 nan 0.000 0.463 253 A N 1.094 123.934 122.820 0.032 0.000 2.299 253 A HA 0.860 5.180 4.320 -0.000 0.000 0.332 253 A C -0.727 176.816 177.584 -0.069 0.000 1.131 253 A CA -0.514 51.322 52.037 -0.335 0.000 0.844 253 A CB 0.646 19.035 19.000 -1.018 0.000 1.251 253 A HN 1.564 nan 8.150 nan 0.000 0.486 254 Y N -1.122 119.157 120.300 -0.035 0.000 2.509 254 Y HA 0.770 5.320 4.550 -0.000 0.000 0.341 254 Y C -1.049 174.811 175.900 -0.065 0.000 1.038 254 Y CA -2.083 56.017 58.100 -0.001 0.000 1.089 254 Y CB 1.343 39.814 38.460 0.018 0.000 1.241 254 Y HN 0.498 nan 8.280 nan 0.000 0.468 255 L N 2.641 123.948 121.223 0.141 0.000 2.427 255 L HA 0.493 4.833 4.340 -0.000 0.000 0.264 255 L C -0.622 176.299 176.870 0.086 0.000 0.989 255 L CA -0.327 54.532 54.840 0.032 0.000 0.865 255 L CB 1.544 43.476 42.059 -0.211 0.000 1.209 255 L HN 0.791 nan 8.230 nan 0.000 0.430 256 S N 2.888 118.678 115.700 0.150 0.000 2.405 256 S HA 0.384 4.854 4.470 -0.000 0.000 0.291 256 S C -0.072 174.590 174.600 0.102 0.000 1.137 256 S CA -0.092 58.163 58.200 0.091 0.000 1.061 256 S CB 0.077 63.308 63.200 0.052 0.000 1.001 256 S HN 0.699 nan 8.310 nan 0.000 0.507 257 S N 3.900 119.646 115.700 0.077 0.000 2.520 257 S HA 0.746 5.216 4.470 -0.000 0.000 0.324 257 S C 0.370 175.036 174.600 0.110 0.000 1.069 257 S CA -0.105 58.153 58.200 0.098 0.000 1.121 257 S CB 0.272 63.501 63.200 0.047 0.000 0.971 257 S HN 0.929 nan 8.310 nan 0.000 0.463 258 G N 2.482 111.376 108.800 0.157 0.000 3.321 258 G HA2 0.229 4.189 3.960 -0.000 0.000 0.169 258 G HA3 0.229 4.189 3.960 -0.000 0.000 0.169 258 G C 0.782 175.785 174.900 0.172 0.000 1.153 258 G CA 0.174 45.363 45.100 0.148 0.000 1.007 258 G HN 0.455 nan 8.290 nan 0.000 0.668 259 T N 0.218 114.887 114.554 0.193 0.000 2.665 259 T HA -0.082 4.268 4.350 -0.000 0.000 0.268 259 T C 0.321 175.048 174.700 0.046 0.000 1.035 259 T CA 1.466 63.664 62.100 0.163 0.000 1.151 259 T CB -0.221 68.778 68.868 0.218 0.000 0.862 259 T HN 0.285 nan 8.240 nan 0.000 0.438 260 W N 0.777 122.184 121.300 0.178 0.000 2.512 260 W HA 0.563 5.223 4.660 -0.000 0.000 0.335 260 W C -0.248 176.373 176.519 0.170 0.000 1.088 260 W CA -0.748 56.702 57.345 0.174 0.000 1.236 260 W CB 0.993 30.541 29.460 0.147 0.000 1.307 260 W HN -0.207 nan 8.180 nan 0.000 0.567 261 S N 3.260 119.232 115.700 0.454 0.000 2.422 261 S HA 0.450 4.920 4.470 -0.000 0.000 0.308 261 S C -0.807 173.999 174.600 0.343 0.000 1.097 261 S CA -0.657 57.756 58.200 0.355 0.000 1.099 261 S CB 0.148 63.612 63.200 0.441 0.000 0.976 261 S HN 0.114 nan 8.310 nan 0.000 0.471 262 L N 4.207 125.581 121.223 0.252 0.000 2.276 262 L HA 0.518 4.858 4.340 -0.000 0.000 0.286 262 L C -0.201 176.787 176.870 0.197 0.000 1.024 262 L CA 0.012 54.987 54.840 0.224 0.000 0.826 262 L CB 0.613 42.788 42.059 0.193 0.000 1.211 262 L HN 0.654 nan 8.230 nan 0.000 0.422 263 M N 2.462 122.133 119.600 0.119 0.000 2.294 263 M HA 0.735 5.215 4.480 -0.000 0.000 0.335 263 M C -0.069 176.139 176.300 -0.153 0.000 1.079 263 M CA -0.137 55.139 55.300 -0.039 0.000 0.982 263 M CB 2.064 34.640 32.600 -0.039 0.000 1.651 263 M HN 0.734 nan 8.290 nan 0.000 0.437 264 G N 3.316 111.773 108.800 -0.572 0.000 2.427 264 G HA2 0.561 4.521 3.960 -0.000 0.000 0.306 264 G HA3 0.561 4.521 3.960 -0.000 0.000 0.306 264 G C -1.988 172.287 174.900 -1.042 0.000 1.280 264 G CA -0.730 43.980 45.100 -0.650 0.000 0.837 264 G HN 0.805 nan 8.290 nan 0.000 0.482 265 F N -1.712 117.951 119.950 -0.479 0.000 2.706 265 F HA 0.896 5.422 4.527 -0.000 0.000 0.328 265 F C -0.589 175.378 175.800 0.278 0.000 1.123 265 F CA -1.338 56.592 58.000 -0.117 0.000 0.978 265 F CB 1.362 40.462 39.000 0.167 0.000 1.404 265 F HN 0.442 nan 8.300 nan 0.000 0.497 266 E N 0.747 121.263 120.200 0.527 0.000 2.179 266 E HA 0.535 4.885 4.350 -0.000 0.000 0.275 266 E C -1.398 175.486 176.600 0.473 0.000 0.945 266 E CA -0.896 55.737 56.400 0.388 0.000 0.792 266 E CB 2.035 31.928 29.700 0.322 0.000 1.125 266 E HN 0.617 nan 8.360 nan 0.000 0.397 267 S N 1.417 117.347 115.700 0.383 0.000 2.546 267 S HA 0.119 4.589 4.470 -0.000 0.000 0.274 267 S C 0.163 174.971 174.600 0.347 0.000 1.121 267 S CA -0.517 57.938 58.200 0.425 0.000 0.887 267 S CB 1.593 65.150 63.200 0.594 0.000 1.094 267 S HN 0.462 nan 8.310 nan 0.000 0.474 268 Q N 1.228 121.185 119.800 0.262 0.000 2.389 268 Q HA 0.084 4.424 4.340 -0.000 0.000 0.204 268 Q C 0.530 176.706 176.000 0.294 0.000 0.944 268 Q CA 0.819 56.762 55.803 0.233 0.000 0.908 268 Q CB 0.210 29.024 28.738 0.127 0.000 1.002 268 Q HN 0.856 nan 8.270 nan 0.000 0.493 269 T N -0.823 113.812 114.554 0.136 0.000 2.841 269 T HA 0.547 4.897 4.350 -0.000 0.000 0.283 269 T C -2.689 171.775 174.700 -0.394 0.000 1.000 269 T CA -2.096 59.929 62.100 -0.123 0.000 0.977 269 T CB 2.535 71.278 68.868 -0.208 0.000 0.979 269 T HN -0.157 nan 8.240 nan 0.000 0.446 270 P HA 0.380 nan 4.420 nan 0.000 0.274 270 P C -1.180 175.813 177.300 -0.512 0.000 1.246 270 P CA -0.664 62.051 63.100 -0.641 0.000 0.795 270 P CB 0.483 31.698 31.700 -0.809 0.000 1.006 271 F N 0.205 120.071 119.950 -0.141 0.000 2.366 271 F HA 0.271 4.798 4.527 -0.000 0.000 0.366 271 F C 1.248 177.036 175.800 -0.019 0.000 1.096 271 F CA -0.205 57.779 58.000 -0.027 0.000 1.060 271 F CB 1.176 40.218 39.000 0.069 0.000 1.282 271 F HN 0.239 nan 8.300 nan 0.000 0.450 272 T N -1.833 112.766 114.554 0.076 0.000 3.145 272 T HA 0.154 4.504 4.350 -0.000 0.000 0.281 272 T C 0.354 175.188 174.700 0.223 0.000 1.003 272 T CA -0.561 61.573 62.100 0.057 0.000 0.901 272 T CB -0.780 67.970 68.868 -0.197 0.000 1.112 272 T HN 0.399 nan 8.240 nan 0.000 0.535 273 N N 1.651 120.476 118.700 0.210 0.000 2.255 273 N HA 0.110 4.850 4.740 -0.000 0.000 0.253 273 N C 0.395 176.011 175.510 0.177 0.000 1.313 273 N CA -0.138 53.012 53.050 0.167 0.000 0.912 273 N CB 0.056 38.627 38.487 0.139 0.000 1.145 273 N HN -0.172 nan 8.380 nan 0.000 0.511 274 D N -1.341 119.126 120.400 0.111 0.000 2.144 274 D HA -0.100 4.540 4.640 -0.000 0.000 0.199 274 D C 1.480 177.813 176.300 0.055 0.000 0.984 274 D CA 1.643 55.686 54.000 0.071 0.000 0.834 274 D CB -0.783 40.045 40.800 0.047 0.000 0.955 274 D HN 0.669 nan 8.370 nan 0.000 0.465 275 T N 0.343 114.940 114.554 0.073 0.000 2.746 275 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 275 T C 2.058 176.794 174.700 0.060 0.000 1.039 275 T CA 1.420 63.554 62.100 0.056 0.000 1.142 275 T CB -0.302 68.602 68.868 0.060 0.000 0.866 275 T HN 0.202 nan 8.240 nan 0.000 0.444 276 A N 1.263 124.156 122.820 0.122 0.000 1.898 276 A HA 0.077 4.397 4.320 -0.000 0.000 0.216 276 A C 2.260 179.850 177.584 0.010 0.000 1.181 276 A CA 1.131 53.262 52.037 0.156 0.000 0.620 276 A CB -0.776 18.426 19.000 0.336 0.000 0.819 276 A HN 0.400 nan 8.150 nan 0.000 0.442 277 L N -0.117 121.029 121.223 -0.128 0.000 2.017 277 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 277 L C 2.648 179.387 176.870 -0.219 0.000 1.073 277 L CA 2.308 56.852 54.840 -0.494 0.000 0.745 277 L CB -0.693 41.154 42.059 -0.353 0.000 0.894 277 L HN 0.318 nan 8.230 nan 0.000 0.432 278 A N -0.552 122.211 122.820 -0.094 0.000 1.940 278 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 278 A C 2.303 179.871 177.584 -0.025 0.000 1.176 278 A CA 1.719 53.727 52.037 -0.049 0.000 0.631 278 A CB -1.054 17.934 19.000 -0.019 0.000 0.814 278 A HN 0.593 nan 8.150 nan 0.000 0.446 279 A N -1.590 121.222 122.820 -0.013 0.000 2.218 279 A HA 0.185 4.505 4.320 -0.000 0.000 0.209 279 A C 0.915 178.513 177.584 0.024 0.000 1.168 279 A CA 0.683 52.730 52.037 0.017 0.000 0.804 279 A CB -0.629 18.389 19.000 0.030 0.000 0.834 279 A HN 0.729 nan 8.150 nan 0.000 0.482 280 N N -1.121 117.568 118.700 -0.017 0.000 2.756 280 N HA -0.159 4.581 4.740 -0.000 0.000 0.248 280 N C -0.898 174.647 175.510 0.058 0.000 1.062 280 N CA 0.035 53.087 53.050 0.002 0.000 0.696 280 N CB -0.857 37.664 38.487 0.057 0.000 0.946 280 N HN 0.373 nan 8.380 nan 0.000 0.548 281 I N 0.666 121.288 120.570 0.086 0.000 2.581 281 I HA 0.126 4.296 4.170 -0.000 0.000 0.288 281 I C 1.114 177.340 176.117 0.180 0.000 1.047 281 I CA 0.423 61.796 61.300 0.122 0.000 1.374 281 I CB 1.592 39.661 38.000 0.114 0.000 1.423 281 I HN 0.051 nan 8.210 nan 0.000 0.549 282 T N 5.038 119.650 114.554 0.096 0.000 2.929 282 T HA 0.398 4.748 4.350 -0.000 0.000 0.284 282 T C -0.249 174.470 174.700 0.030 0.000 1.014 282 T CA -0.666 61.468 62.100 0.058 0.000 1.051 282 T CB 0.343 69.216 68.868 0.009 0.000 1.028 282 T HN 0.550 nan 8.240 nan 0.000 0.485 283 N N 3.898 122.597 118.700 -0.002 0.000 2.904 283 N HA 0.174 4.914 4.740 -0.000 0.000 0.257 283 N C -0.756 174.806 175.510 0.087 0.000 1.363 283 N CA -0.263 52.809 53.050 0.037 0.000 0.856 283 N CB 1.136 39.584 38.487 -0.064 0.000 1.166 283 N HN 0.642 nan 8.380 nan 0.000 0.499 284 E N 0.300 120.536 120.200 0.061 0.000 2.383 284 E HA 0.190 4.540 4.350 -0.000 0.000 0.264 284 E C 0.799 177.404 176.600 0.009 0.000 1.050 284 E CA -0.406 55.995 56.400 0.002 0.000 0.896 284 E CB 1.121 30.830 29.700 0.014 0.000 0.982 284 E HN 0.369 nan 8.360 nan 0.000 0.424 285 G N 0.905 109.595 108.800 -0.183 0.000 2.441 285 G HA2 0.400 4.360 3.960 -0.000 0.000 0.243 285 G HA3 0.400 4.360 3.960 -0.000 0.000 0.243 285 G C -0.086 174.738 174.900 -0.127 0.000 1.281 285 G CA 0.004 44.912 45.100 -0.319 0.000 0.854 285 G HN 0.483 nan 8.290 nan 0.000 0.560 286 G N -0.499 108.301 108.800 -0.001 0.000 2.714 286 G HA2 0.782 4.741 3.960 -0.000 0.000 0.292 286 G HA3 0.782 4.741 3.960 -0.000 0.000 0.292 286 G C -0.141 174.807 174.900 0.079 0.000 1.308 286 G CA -0.109 45.001 45.100 0.017 0.000 0.964 286 G HN 1.105 nan 8.290 nan 0.000 0.484 287 A N -0.679 122.160 122.820 0.031 0.000 2.483 287 A HA 0.512 4.832 4.320 -0.000 0.000 0.238 287 A C 0.816 178.387 177.584 -0.022 0.000 1.070 287 A CA 0.958 53.006 52.037 0.018 0.000 0.770 287 A CB -0.304 18.686 19.000 -0.018 0.000 1.008 287 A HN 1.153 nan 8.150 nan 0.000 0.497 288 E N -0.032 120.132 120.200 -0.060 0.000 3.496 288 E HA -0.270 4.080 4.350 -0.000 0.000 0.300 288 E C 0.948 177.457 176.600 -0.152 0.000 0.877 288 E CA 1.170 57.507 56.400 -0.105 0.000 1.050 288 E CB -1.988 27.677 29.700 -0.058 0.000 1.532 288 E HN 2.321 nan 8.360 nan 0.000 0.447 289 G N 0.626 109.315 108.800 -0.185 0.000 2.162 289 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.260 289 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.260 289 G C 0.171 174.890 174.900 -0.301 0.000 0.976 289 G CA 0.490 45.421 45.100 -0.282 0.000 0.655 289 G HN 0.243 nan 8.290 nan 0.000 0.533 290 R N 0.280 120.697 120.500 -0.138 0.000 2.309 290 R HA 0.320 4.659 4.340 -0.000 0.000 0.331 290 R C -0.086 176.196 176.300 -0.030 0.000 1.116 290 R CA -0.439 55.643 56.100 -0.030 0.000 0.970 290 R CB -0.009 30.316 30.300 0.041 0.000 1.024 290 R HN 0.379 nan 8.270 nan 0.000 0.472 291 Y N 1.992 122.348 120.300 0.094 0.000 2.717 291 Y HA -0.095 4.455 4.550 -0.000 0.000 0.330 291 Y C 1.032 176.967 175.900 0.058 0.000 1.217 291 Y CA 0.414 58.558 58.100 0.073 0.000 1.506 291 Y CB 0.357 38.853 38.460 0.059 0.000 1.268 291 Y HN 0.235 nan 8.280 nan 0.000 0.561 292 R N 2.736 123.342 120.500 0.176 0.000 2.296 292 R HA 0.297 4.637 4.340 -0.000 0.000 0.327 292 R C -1.188 175.158 176.300 0.077 0.000 1.137 292 R CA -0.479 55.711 56.100 0.151 0.000 1.020 292 R CB 0.297 30.663 30.300 0.110 0.000 1.110 292 R HN 0.377 nan 8.270 nan 0.000 0.499 293 V N 6.289 126.124 119.914 -0.131 0.000 2.338 293 V HA 0.170 4.290 4.120 -0.000 0.000 0.255 293 V C -0.029 175.864 176.094 -0.335 0.000 1.082 293 V CA -0.310 61.790 62.300 -0.334 0.000 0.951 293 V CB -0.382 30.975 31.823 -0.777 0.000 1.102 293 V HN 0.488 nan 8.190 nan 0.000 0.489 294 L N 2.781 123.951 121.223 -0.089 0.000 2.397 294 L HA 0.846 5.186 4.340 -0.000 0.000 0.251 294 L C -0.792 176.099 176.870 0.035 0.000 1.064 294 L CA -0.968 53.862 54.840 -0.018 0.000 0.859 294 L CB 2.097 44.223 42.059 0.111 0.000 1.468 294 L HN 0.156 nan 8.230 nan 0.000 0.411 295 K N 0.562 121.003 120.400 0.067 0.000 2.371 295 K HA 0.503 4.823 4.320 -0.000 0.000 0.251 295 K C -1.234 175.452 176.600 0.143 0.000 0.934 295 K CA -0.892 55.454 56.287 0.100 0.000 0.798 295 K CB 1.736 34.305 32.500 0.114 0.000 1.204 295 K HN 0.626 nan 8.250 nan 0.000 0.427 296 N N 1.783 120.569 118.700 0.144 0.000 2.497 296 N HA 0.247 4.987 4.740 -0.000 0.000 0.271 296 N C -0.890 174.850 175.510 0.383 0.000 1.142 296 N CA 0.143 53.332 53.050 0.232 0.000 0.965 296 N CB 0.359 38.888 38.487 0.070 0.000 1.077 296 N HN 0.338 nan 8.380 nan 0.000 0.462 297 I N 2.466 123.334 120.570 0.497 0.000 2.436 297 I HA 0.149 4.319 4.170 -0.000 0.000 0.289 297 I C 1.080 177.483 176.117 0.477 0.000 1.010 297 I CA -0.665 60.898 61.300 0.439 0.000 1.098 297 I CB 1.775 40.006 38.000 0.384 0.000 1.266 297 I HN 0.405 nan 8.210 nan 0.000 0.434 298 M N 4.185 123.963 119.600 0.296 0.000 2.116 298 M HA -0.088 4.392 4.480 -0.000 0.000 0.255 298 M C 1.171 177.389 176.300 -0.137 0.000 1.075 298 M CA 2.034 57.301 55.300 -0.055 0.000 1.087 298 M CB -0.552 32.066 32.600 0.031 0.000 1.340 298 M HN 0.943 nan 8.290 nan 0.000 0.402 299 G N -1.473 107.362 108.800 0.058 0.000 2.584 299 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.229 299 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.229 299 G C 0.262 175.205 174.900 0.072 0.000 1.320 299 G CA -0.127 45.041 45.100 0.113 0.000 0.891 299 G HN 0.438 nan 8.290 nan 0.000 0.573 300 L N 0.617 121.905 121.223 0.109 0.000 2.610 300 L HA 0.095 4.434 4.340 -0.000 0.000 0.232 300 L C 2.495 179.398 176.870 0.056 0.000 1.149 300 L CA 0.885 55.779 54.840 0.091 0.000 0.872 300 L CB -0.234 41.897 42.059 0.120 0.000 0.992 300 L HN 0.635 nan 8.230 nan 0.000 0.447 301 W N 1.020 122.236 121.300 -0.141 0.000 2.290 301 W HA -0.318 4.342 4.660 -0.000 0.000 0.311 301 W C 1.611 178.045 176.519 -0.142 0.000 1.238 301 W CA 1.430 58.671 57.345 -0.174 0.000 1.255 301 W CB -0.120 29.152 29.460 -0.314 0.000 1.145 301 W HN 0.186 nan 8.180 nan 0.000 0.506 302 L N 0.511 121.582 121.223 -0.253 0.000 2.046 302 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 302 L C 2.636 179.295 176.870 -0.351 0.000 1.077 302 L CA 1.451 56.067 54.840 -0.372 0.000 0.747 302 L CB -1.711 40.176 42.059 -0.286 0.000 0.896 302 L HN 0.027 nan 8.230 nan 0.000 0.432 303 L N -0.948 120.134 121.223 -0.235 0.000 2.056 303 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 303 L C 2.528 179.277 176.870 -0.202 0.000 1.078 303 L CA 1.600 56.322 54.840 -0.196 0.000 0.749 303 L CB -0.571 41.450 42.059 -0.063 0.000 0.901 303 L HN 0.296 nan 8.230 nan 0.000 0.433 304 Q N -0.826 118.851 119.800 -0.204 0.000 2.096 304 Q HA -0.248 4.092 4.340 -0.000 0.000 0.208 304 Q C 2.263 178.069 176.000 -0.323 0.000 0.993 304 Q CA 1.969 57.642 55.803 -0.217 0.000 0.862 304 Q CB -0.214 28.419 28.738 -0.175 0.000 0.915 304 Q HN 0.402 nan 8.270 nan 0.000 0.416 305 R N -0.208 119.976 120.500 -0.527 0.000 2.092 305 R HA -0.066 4.273 4.340 -0.000 0.000 0.231 305 R C 2.230 178.338 176.300 -0.320 0.000 1.119 305 R CA 0.894 56.686 56.100 -0.513 0.000 0.970 305 R CB -0.684 29.176 30.300 -0.732 0.000 0.864 305 R HN 0.194 nan 8.270 nan 0.000 0.440 306 V N 1.699 121.440 119.914 -0.289 0.000 2.515 306 V HA -0.171 3.949 4.120 -0.000 0.000 0.250 306 V C 2.476 178.465 176.094 -0.174 0.000 1.058 306 V CA 1.245 63.414 62.300 -0.218 0.000 1.064 306 V CB -0.423 31.264 31.823 -0.227 0.000 0.675 306 V HN 0.189 nan 8.190 nan 0.000 0.461 307 L N 0.200 121.323 121.223 -0.166 0.000 1.994 307 L HA -0.267 4.073 4.340 -0.000 0.000 0.208 307 L C 2.838 179.642 176.870 -0.110 0.000 1.071 307 L CA 2.261 57.029 54.840 -0.120 0.000 0.745 307 L CB -0.848 41.152 42.059 -0.098 0.000 0.892 307 L HN 0.482 nan 8.230 nan 0.000 0.431 308 Q N 0.272 119.995 119.800 -0.128 0.000 2.030 308 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 308 Q C 1.866 177.804 176.000 -0.103 0.000 0.986 308 Q CA 1.825 57.561 55.803 -0.111 0.000 0.843 308 Q CB -0.486 28.177 28.738 -0.126 0.000 0.904 308 Q HN 0.467 nan 8.270 nan 0.000 0.420 309 E N 0.055 120.182 120.200 -0.122 0.000 2.150 309 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 309 E C 1.966 178.512 176.600 -0.091 0.000 0.985 309 E CA 0.570 56.907 56.400 -0.105 0.000 0.814 309 E CB 0.148 29.777 29.700 -0.118 0.000 0.752 309 E HN 0.192 nan 8.360 nan 0.000 0.466 310 R N 0.313 120.755 120.500 -0.096 0.000 2.317 310 R HA 0.089 4.428 4.340 -0.000 0.000 0.208 310 R C -0.060 176.199 176.300 -0.068 0.000 0.914 310 R CA 0.159 56.209 56.100 -0.084 0.000 1.060 310 R CB 0.138 30.381 30.300 -0.095 0.000 1.015 310 R HN 0.216 nan 8.270 nan 0.000 0.498 311 Q N 0.380 120.140 119.800 -0.066 0.000 2.459 311 Q HA -0.159 4.181 4.340 -0.000 0.000 0.322 311 Q C -0.981 174.991 176.000 -0.047 0.000 1.427 311 Q CA 0.474 56.246 55.803 -0.052 0.000 0.861 311 Q CB -1.585 27.127 28.738 -0.044 0.000 1.137 311 Q HN 0.308 nan 8.270 nan 0.000 0.394 312 I N 1.111 121.650 120.570 -0.051 0.000 2.330 312 I HA 0.155 4.325 4.170 -0.000 0.000 0.289 312 I C 1.245 177.342 176.117 -0.033 0.000 1.001 312 I CA -0.349 60.926 61.300 -0.042 0.000 1.193 312 I CB 0.888 38.858 38.000 -0.049 0.000 1.345 312 I HN 0.340 nan 8.210 nan 0.000 0.461 313 N N 3.486 122.172 118.700 -0.024 0.000 2.205 313 N HA 0.029 4.769 4.740 -0.000 0.000 0.201 313 N C -0.231 175.273 175.510 -0.010 0.000 1.128 313 N CA -0.138 52.902 53.050 -0.017 0.000 0.867 313 N CB 0.851 39.329 38.487 -0.014 0.000 0.996 313 N HN 0.484 nan 8.380 nan 0.000 0.503 314 D N 1.457 121.852 120.400 -0.008 0.000 2.438 314 D HA 0.108 4.747 4.640 -0.000 0.000 0.257 314 D C 0.667 176.971 176.300 0.005 0.000 1.148 314 D CA -0.554 53.446 54.000 -0.001 0.000 0.902 314 D CB 1.490 42.290 40.800 -0.001 0.000 1.062 314 D HN -0.010 nan 8.370 nan 0.000 0.518 315 L N 5.894 127.123 121.223 0.010 0.000 2.027 315 L HA 0.101 4.441 4.340 -0.000 0.000 0.206 315 L C -1.069 175.822 176.870 0.036 0.000 1.074 315 L CA 1.817 56.673 54.840 0.026 0.000 0.745 315 L CB -1.081 40.995 42.059 0.028 0.000 0.898 315 L HN 0.230 nan 8.230 nan 0.000 0.433 316 P HA -0.156 nan 4.420 nan 0.000 0.216 316 P C 1.552 178.867 177.300 0.026 0.000 1.150 316 P CA 2.007 65.120 63.100 0.022 0.000 0.837 316 P CB -0.216 31.493 31.700 0.014 0.000 0.786 317 A N -0.739 122.093 122.820 0.021 0.000 1.902 317 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 317 A C 2.136 179.736 177.584 0.027 0.000 1.181 317 A CA 1.425 53.474 52.037 0.019 0.000 0.623 317 A CB -1.629 17.377 19.000 0.010 0.000 0.818 317 A HN 0.165 nan 8.150 nan 0.000 0.443 318 L N -0.019 121.224 121.223 0.032 0.000 2.017 318 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 318 L C 2.232 179.155 176.870 0.089 0.000 1.073 318 L CA 1.777 56.642 54.840 0.042 0.000 0.745 318 L CB -0.414 41.663 42.059 0.031 0.000 0.894 318 L HN 0.431 nan 8.230 nan 0.000 0.432 319 I N -0.376 120.264 120.570 0.116 0.000 2.226 319 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 319 I C 2.602 178.773 176.117 0.091 0.000 1.100 319 I CA 1.255 62.644 61.300 0.148 0.000 1.374 319 I CB -0.673 37.363 38.000 0.060 0.000 1.057 319 I HN 0.371 nan 8.210 nan 0.000 0.413 320 A N 0.645 123.497 122.820 0.054 0.000 1.940 320 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 320 A C 2.512 180.121 177.584 0.042 0.000 1.176 320 A CA 1.967 54.028 52.037 0.039 0.000 0.631 320 A CB -0.807 18.209 19.000 0.027 0.000 0.814 320 A HN 0.449 nan 8.150 nan 0.000 0.446 321 A N -1.228 121.617 122.820 0.043 0.000 1.929 321 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 321 A C 2.259 179.872 177.584 0.048 0.000 1.176 321 A CA 2.065 54.124 52.037 0.036 0.000 0.628 321 A CB -1.140 17.874 19.000 0.023 0.000 0.816 321 A HN 0.414 nan 8.150 nan 0.000 0.444 322 T N 0.090 114.689 114.554 0.075 0.000 2.833 322 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 322 T C 1.926 176.686 174.700 0.100 0.000 1.054 322 T CA 1.582 63.742 62.100 0.101 0.000 1.135 322 T CB -0.261 68.722 68.868 0.191 0.000 0.869 322 T HN 0.577 nan 8.240 nan 0.000 0.466 323 Q N 0.200 120.051 119.800 0.084 0.000 2.291 323 Q HA 0.005 4.345 4.340 -0.000 0.000 0.206 323 Q C 2.333 178.357 176.000 0.040 0.000 0.976 323 Q CA 1.056 56.893 55.803 0.056 0.000 0.875 323 Q CB -0.170 28.592 28.738 0.040 0.000 0.927 323 Q HN 0.556 nan 8.270 nan 0.000 0.450 324 A N -0.207 122.636 122.820 0.039 0.000 2.208 324 A HA 0.064 4.384 4.320 -0.000 0.000 0.209 324 A C 0.487 178.089 177.584 0.030 0.000 1.161 324 A CA 0.040 52.094 52.037 0.029 0.000 0.782 324 A CB 0.250 19.265 19.000 0.025 0.000 0.816 324 A HN 0.151 nan 8.150 nan 0.000 0.477 325 L N 0.587 121.834 121.223 0.040 0.000 2.325 325 L HA 0.488 4.828 4.340 -0.000 0.000 0.279 325 L C -2.473 174.412 176.870 0.024 0.000 1.054 325 L CA -2.375 52.492 54.840 0.045 0.000 0.804 325 L CB 1.042 43.147 42.059 0.078 0.000 1.200 325 L HN -0.078 nan 8.230 nan 0.000 0.436 326 P HA 0.163 nan 4.420 nan 0.000 0.265 326 P C -1.044 176.214 177.300 -0.070 0.000 1.193 326 P CA -0.130 62.947 63.100 -0.037 0.000 0.765 326 P CB 0.505 32.171 31.700 -0.057 0.000 0.823 327 A N 2.551 125.327 122.820 -0.073 0.000 2.322 327 A HA 0.364 4.684 4.320 -0.000 0.000 0.269 327 A C 0.680 178.149 177.584 -0.191 0.000 1.094 327 A CA -0.227 51.749 52.037 -0.102 0.000 0.807 327 A CB -0.497 18.457 19.000 -0.078 0.000 1.047 327 A HN 0.757 nan 8.150 nan 0.000 0.487 328 C N 0.447 119.589 119.300 -0.262 0.000 4.432 328 C HA -0.113 4.347 4.460 -0.000 0.000 0.294 328 C C 1.705 176.460 174.990 -0.391 0.000 1.398 328 C CA 0.982 59.739 59.018 -0.436 0.000 1.988 328 C CB -2.888 24.393 27.740 -0.765 0.000 1.251 328 C HN 0.985 nan 8.230 nan 0.000 0.791 329 R N -0.954 119.260 120.500 -0.478 0.000 2.206 329 R HA 0.228 4.568 4.340 -0.000 0.000 0.198 329 R C 0.043 175.934 176.300 -0.682 0.000 0.986 329 R CA 0.894 56.617 56.100 -0.629 0.000 1.029 329 R CB 0.158 29.935 30.300 -0.872 0.000 0.966 329 R HN 0.580 nan 8.270 nan 0.000 0.487 330 F N 1.148 121.049 119.950 -0.082 0.000 2.427 330 F HA 0.497 5.024 4.527 -0.000 0.000 0.348 330 F C -0.321 175.421 175.800 -0.097 0.000 1.125 330 F CA -0.998 56.958 58.000 -0.073 0.000 0.989 330 F CB 1.167 40.120 39.000 -0.079 0.000 1.165 330 F HN -0.271 nan 8.300 nan 0.000 0.442 331 I N 5.051 125.662 120.570 0.069 0.000 2.499 331 I HA 0.513 4.682 4.170 -0.000 0.000 0.288 331 I C -0.390 175.757 176.117 0.049 0.000 1.048 331 I CA -0.692 60.616 61.300 0.014 0.000 1.062 331 I CB 1.872 39.859 38.000 -0.022 0.000 1.238 331 I HN 0.554 nan 8.210 nan 0.000 0.426 332 I N 1.775 122.358 120.570 0.021 0.000 3.170 332 I HA 0.667 4.837 4.170 -0.000 0.000 0.312 332 I C -0.609 175.540 176.117 0.053 0.000 1.085 332 I CA -0.894 60.443 61.300 0.062 0.000 0.999 332 I CB 1.891 39.913 38.000 0.035 0.000 1.233 332 I HN 0.411 nan 8.210 nan 0.000 0.467 333 N N 2.372 121.159 118.700 0.144 0.000 2.527 333 N HA 0.447 5.186 4.740 -0.000 0.000 0.236 333 N C -2.120 173.501 175.510 0.184 0.000 0.999 333 N CA -2.478 50.656 53.050 0.140 0.000 0.935 333 N CB 1.165 39.748 38.487 0.160 0.000 1.132 333 N HN 0.326 nan 8.380 nan 0.000 0.511 334 P HA -0.043 nan 4.420 nan 0.000 0.219 334 P C 0.412 177.838 177.300 0.210 0.000 1.146 334 P CA 0.894 63.944 63.100 -0.083 0.000 0.808 334 P CB 0.321 31.946 31.700 -0.126 0.000 0.779 335 N N -0.762 118.073 118.700 0.225 0.000 2.521 335 N HA -0.057 4.683 4.740 -0.000 0.000 0.188 335 N C 0.272 175.955 175.510 0.288 0.000 1.146 335 N CA 0.486 53.699 53.050 0.272 0.000 0.893 335 N CB -0.853 37.772 38.487 0.231 0.000 0.975 335 N HN 0.174 nan 8.380 nan 0.000 0.451 336 D N 0.636 121.241 120.400 0.342 0.000 2.455 336 D HA -0.058 4.582 4.640 -0.000 0.000 0.241 336 D C 0.377 176.791 176.300 0.190 0.000 1.138 336 D CA -0.001 54.139 54.000 0.233 0.000 0.877 336 D CB 0.864 41.775 40.800 0.184 0.000 1.187 336 D HN 0.026 nan 8.370 nan 0.000 0.451 337 D N 2.416 122.882 120.400 0.110 0.000 2.228 337 D HA -0.205 4.434 4.640 -0.000 0.000 0.203 337 D C 1.963 178.278 176.300 0.025 0.000 0.988 337 D CA 0.798 54.862 54.000 0.107 0.000 0.864 337 D CB -0.042 40.807 40.800 0.080 0.000 0.928 337 D HN 0.619 nan 8.370 nan 0.000 0.469 338 R N -0.078 120.331 120.500 -0.153 0.000 2.241 338 R HA -0.095 4.245 4.340 -0.000 0.000 0.224 338 R C 1.293 177.388 176.300 -0.340 0.000 1.101 338 R CA 0.918 56.825 56.100 -0.322 0.000 0.995 338 R CB -0.695 29.283 30.300 -0.535 0.000 0.870 338 R HN 0.222 nan 8.270 nan 0.000 0.463 339 F N 0.368 120.388 119.950 0.117 0.000 2.695 339 F HA 0.314 4.841 4.527 -0.000 0.000 0.303 339 F C 1.792 177.747 175.800 0.259 0.000 1.091 339 F CA -0.536 57.558 58.000 0.156 0.000 1.300 339 F CB 0.188 39.264 39.000 0.127 0.000 1.071 339 F HN -0.148 nan 8.300 nan 0.000 0.578 340 I N 0.219 120.972 120.570 0.305 0.000 2.179 340 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 340 I C 0.775 177.002 176.117 0.182 0.000 1.088 340 I CA 1.555 62.969 61.300 0.190 0.000 1.357 340 I CB -0.109 38.011 38.000 0.199 0.000 1.051 340 I HN 0.120 nan 8.210 nan 0.000 0.409 341 N N -0.140 118.696 118.700 0.227 0.000 2.658 341 N HA 0.174 4.914 4.740 -0.000 0.000 0.238 341 N C -2.566 173.042 175.510 0.163 0.000 1.495 341 N CA -0.901 52.303 53.050 0.256 0.000 0.883 341 N CB 0.475 39.019 38.487 0.096 0.000 1.463 341 N HN -0.027 nan 8.380 nan 0.000 0.531 342 P HA 0.279 nan 4.420 nan 0.000 0.274 342 P C 0.198 177.521 177.300 0.038 0.000 1.237 342 P CA -0.095 63.042 63.100 0.063 0.000 0.793 342 P CB 1.476 33.203 31.700 0.044 0.000 0.977 343 D N -0.026 120.378 120.400 0.005 0.000 2.097 343 D HA -0.089 4.551 4.640 -0.000 0.000 0.195 343 D C 0.259 176.541 176.300 -0.029 0.000 0.989 343 D CA 1.543 55.535 54.000 -0.013 0.000 0.827 343 D CB 0.187 40.975 40.800 -0.020 0.000 0.966 343 D HN 0.463 nan 8.370 nan 0.000 0.456 344 E N 0.373 120.556 120.200 -0.028 0.000 2.149 344 E HA 0.107 4.456 4.350 -0.000 0.000 0.255 344 E C 0.607 177.189 176.600 -0.031 0.000 0.888 344 E CA -0.274 56.102 56.400 -0.040 0.000 0.742 344 E CB 1.785 31.462 29.700 -0.037 0.000 1.164 344 E HN 0.016 nan 8.360 nan 0.000 0.422 345 M N 2.130 121.697 119.600 -0.056 0.000 2.099 345 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 345 M C 1.743 178.024 176.300 -0.032 0.000 1.067 345 M CA 1.802 57.078 55.300 -0.041 0.000 1.124 345 M CB -0.310 32.199 32.600 -0.152 0.000 1.353 345 M HN 0.536 nan 8.290 nan 0.000 0.410 346 C N -0.514 118.739 119.300 -0.077 0.000 2.413 346 C HA -0.105 4.355 4.460 -0.000 0.000 0.276 346 C C 2.749 177.708 174.990 -0.052 0.000 1.248 346 C CA 1.403 60.370 59.018 -0.086 0.000 1.742 346 C CB -1.548 26.130 27.740 -0.103 0.000 2.017 346 C HN 0.621 nan 8.230 nan 0.000 0.481 347 S N 0.418 116.096 115.700 -0.038 0.000 2.383 347 S HA -0.166 4.304 4.470 -0.000 0.000 0.227 347 S C 1.773 176.374 174.600 0.001 0.000 1.026 347 S CA 1.460 59.645 58.200 -0.026 0.000 0.981 347 S CB -0.322 62.861 63.200 -0.029 0.000 0.818 347 S HN 0.640 nan 8.310 nan 0.000 0.472 348 E N 1.604 121.821 120.200 0.028 0.000 2.031 348 E HA -0.050 4.300 4.350 -0.000 0.000 0.193 348 E C 1.828 178.539 176.600 0.185 0.000 0.994 348 E CA 1.081 57.519 56.400 0.063 0.000 0.800 348 E CB -0.419 29.325 29.700 0.072 0.000 0.752 348 E HN 0.506 nan 8.360 nan 0.000 0.447 349 I N 0.419 121.132 120.570 0.239 0.000 2.208 349 I HA -0.344 3.826 4.170 -0.000 0.000 0.245 349 I C 2.467 178.627 176.117 0.071 0.000 1.097 349 I CA 1.468 62.875 61.300 0.178 0.000 1.363 349 I CB -0.308 37.678 38.000 -0.023 0.000 1.051 349 I HN 0.201 nan 8.210 nan 0.000 0.413 350 Q N 0.380 120.186 119.800 0.009 0.000 2.119 350 Q HA -0.129 4.210 4.340 -0.000 0.000 0.201 350 Q C 2.487 178.495 176.000 0.013 0.000 0.972 350 Q CA 1.516 57.307 55.803 -0.020 0.000 0.847 350 Q CB -0.248 28.459 28.738 -0.052 0.000 0.903 350 Q HN 0.585 nan 8.270 nan 0.000 0.433 351 A N 1.206 124.039 122.820 0.022 0.000 1.877 351 A HA -0.153 4.166 4.320 -0.000 0.000 0.216 351 A C 2.307 179.913 177.584 0.036 0.000 1.186 351 A CA 1.650 53.697 52.037 0.017 0.000 0.620 351 A CB -0.871 18.128 19.000 -0.002 0.000 0.822 351 A HN 0.398 nan 8.150 nan 0.000 0.443 352 A N -1.045 121.819 122.820 0.073 0.000 1.902 352 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 352 A C 2.319 179.963 177.584 0.099 0.000 1.181 352 A CA 1.731 53.832 52.037 0.106 0.000 0.623 352 A CB -1.278 17.867 19.000 0.241 0.000 0.818 352 A HN 0.604 nan 8.150 nan 0.000 0.443 353 C N -1.242 118.114 119.300 0.093 0.000 2.432 353 C HA -0.050 4.410 4.460 -0.000 0.000 0.277 353 C C 2.822 177.858 174.990 0.077 0.000 1.249 353 C CA 1.137 60.211 59.018 0.094 0.000 1.725 353 C CB -1.127 26.672 27.740 0.098 0.000 2.028 353 C HN 0.634 nan 8.230 nan 0.000 0.477 354 R N 1.142 121.676 120.500 0.055 0.000 2.115 354 R HA -0.111 4.229 4.340 -0.000 0.000 0.230 354 R C 1.893 178.215 176.300 0.038 0.000 1.111 354 R CA 1.468 57.594 56.100 0.042 0.000 0.976 354 R CB -0.408 29.907 30.300 0.025 0.000 0.870 354 R HN 0.632 nan 8.270 nan 0.000 0.445 355 E N -0.436 119.786 120.200 0.038 0.000 2.153 355 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 355 E C 1.398 178.021 176.600 0.037 0.000 0.988 355 E CA 0.888 57.307 56.400 0.032 0.000 0.811 355 E CB 0.064 29.781 29.700 0.028 0.000 0.746 355 E HN 0.194 nan 8.360 nan 0.000 0.466 356 M N -0.603 119.026 119.600 0.049 0.000 2.568 356 M HA 0.197 4.676 4.480 -0.000 0.000 0.226 356 M C 0.775 177.104 176.300 0.047 0.000 1.148 356 M CA 0.089 55.419 55.300 0.051 0.000 1.007 356 M CB -0.199 32.440 32.600 0.065 0.000 1.651 356 M HN 0.095 nan 8.290 nan 0.000 0.488 357 A N 0.289 123.135 122.820 0.043 0.000 2.816 357 A HA -0.239 4.081 4.320 -0.000 0.000 0.270 357 A C 0.357 177.969 177.584 0.047 0.000 1.413 357 A CA 0.961 53.021 52.037 0.039 0.000 0.866 357 A CB -2.136 16.883 19.000 0.030 0.000 1.032 357 A HN 0.617 nan 8.150 nan 0.000 0.642 358 Q N 0.071 119.908 119.800 0.063 0.000 2.260 358 Q HA 0.489 4.829 4.340 -0.000 0.000 0.238 358 Q C -2.007 174.057 176.000 0.107 0.000 0.948 358 Q CA -1.827 54.023 55.803 0.078 0.000 0.895 358 Q CB 0.692 29.490 28.738 0.100 0.000 1.218 358 Q HN 0.486 nan 8.270 nan 0.000 0.470 359 P HA -0.020 nan 4.420 nan 0.000 0.268 359 P C -0.760 176.719 177.300 0.299 0.000 1.208 359 P CA 0.556 63.772 63.100 0.193 0.000 0.777 359 P CB 0.521 32.339 31.700 0.197 0.000 0.875 360 I N 4.123 124.793 120.570 0.167 0.000 2.315 360 I HA 0.202 4.372 4.170 -0.000 0.000 0.291 360 I C -1.855 174.149 176.117 -0.188 0.000 1.006 360 I CA -2.462 58.850 61.300 0.021 0.000 1.265 360 I CB 1.240 39.234 38.000 -0.009 0.000 1.387 360 I HN 0.144 nan 8.210 nan 0.000 0.475 361 P HA 0.182 nan 4.420 nan 0.000 0.281 361 P C -0.430 176.613 177.300 -0.429 0.000 1.286 361 P CA 0.023 62.570 63.100 -0.922 0.000 0.772 361 P CB 1.254 32.266 31.700 -1.147 0.000 0.862 362 E N 0.934 120.945 120.200 -0.314 0.000 2.367 362 E HA 0.028 4.378 4.350 -0.000 0.000 0.204 362 E C 0.678 177.183 176.600 -0.158 0.000 0.840 362 E CA 0.107 56.395 56.400 -0.186 0.000 1.051 362 E CB 0.283 29.912 29.700 -0.118 0.000 1.051 362 E HN 0.518 nan 8.360 nan 0.000 0.509 363 S N 1.057 116.666 115.700 -0.152 0.000 2.614 363 S HA 0.044 4.514 4.470 -0.000 0.000 0.265 363 S C 0.649 175.164 174.600 -0.140 0.000 1.303 363 S CA -0.589 57.542 58.200 -0.116 0.000 1.000 363 S CB 1.024 64.177 63.200 -0.079 0.000 0.935 363 S HN -0.079 nan 8.310 nan 0.000 0.551 364 D N 1.707 122.040 120.400 -0.111 0.000 2.116 364 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 364 D C 2.234 178.454 176.300 -0.133 0.000 0.998 364 D CA 2.043 55.972 54.000 -0.119 0.000 0.836 364 D CB -0.978 39.771 40.800 -0.084 0.000 0.951 364 D HN 0.728 nan 8.370 nan 0.000 0.449 365 A N 0.894 123.658 122.820 -0.094 0.000 1.902 365 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 365 A C 2.113 179.635 177.584 -0.103 0.000 1.181 365 A CA 1.621 53.615 52.037 -0.071 0.000 0.623 365 A CB -0.569 18.419 19.000 -0.020 0.000 0.818 365 A HN 0.218 nan 8.150 nan 0.000 0.443 366 E N -0.372 119.746 120.200 -0.137 0.000 2.077 366 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 366 E C 1.912 178.286 176.600 -0.376 0.000 0.989 366 E CA 1.152 57.405 56.400 -0.245 0.000 0.800 366 E CB -0.252 29.203 29.700 -0.409 0.000 0.746 366 E HN 0.628 nan 8.360 nan 0.000 0.452 367 L N 0.243 121.263 121.223 -0.338 0.000 2.093 367 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 367 L C 2.461 179.106 176.870 -0.374 0.000 1.085 367 L CA 0.909 55.547 54.840 -0.337 0.000 0.755 367 L CB -0.284 41.610 42.059 -0.276 0.000 0.904 367 L HN 0.139 nan 8.230 nan 0.000 0.435 368 A N -0.068 122.508 122.820 -0.408 0.000 1.897 368 A HA -0.210 4.109 4.320 -0.000 0.000 0.215 368 A C 2.327 179.426 177.584 -0.808 0.000 1.181 368 A CA 1.485 53.085 52.037 -0.728 0.000 0.620 368 A CB -0.408 18.244 19.000 -0.580 0.000 0.821 368 A HN 0.258 nan 8.150 nan 0.000 0.443 369 R N -0.120 120.187 120.500 -0.321 0.000 2.080 369 R HA -0.176 4.164 4.340 -0.000 0.000 0.236 369 R C 2.272 178.545 176.300 -0.045 0.000 1.137 369 R CA 2.024 58.084 56.100 -0.067 0.000 0.943 369 R CB -1.521 28.845 30.300 0.110 0.000 0.846 369 R HN 0.578 nan 8.270 nan 0.000 0.431 370 C N -0.142 119.136 119.300 -0.037 0.000 2.376 370 C HA -0.134 4.326 4.460 -0.000 0.000 0.275 370 C C 2.515 177.416 174.990 -0.148 0.000 1.200 370 C CA 1.296 60.299 59.018 -0.025 0.000 1.756 370 C CB -1.129 26.544 27.740 -0.112 0.000 2.050 370 C HN 0.641 nan 8.230 nan 0.000 0.460 371 I N -0.015 120.379 120.570 -0.293 0.000 2.142 371 I HA -0.138 4.032 4.170 -0.000 0.000 0.240 371 I C 2.408 178.442 176.117 -0.139 0.000 1.078 371 I CA 1.738 62.858 61.300 -0.299 0.000 1.343 371 I CB -0.613 37.139 38.000 -0.413 0.000 1.046 371 I HN 0.236 nan 8.210 nan 0.000 0.405 372 F N 0.999 120.885 119.950 -0.106 0.000 2.134 372 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 372 F C 2.353 178.077 175.800 -0.127 0.000 1.097 372 F CA 1.040 58.980 58.000 -0.101 0.000 1.264 372 F CB -1.223 37.739 39.000 -0.064 0.000 1.001 372 F HN 0.114 nan 8.300 nan 0.000 0.479 373 D N -0.239 120.199 120.400 0.064 0.000 2.117 373 D HA -0.110 4.530 4.640 -0.000 0.000 0.198 373 D C 2.382 178.624 176.300 -0.098 0.000 0.982 373 D CA 1.524 55.502 54.000 -0.038 0.000 0.828 373 D CB -0.448 40.307 40.800 -0.075 0.000 0.967 373 D HN 0.124 nan 8.370 nan 0.000 0.464 374 S N 0.340 115.977 115.700 -0.105 0.000 2.402 374 S HA -0.043 4.427 4.470 -0.000 0.000 0.229 374 S C 2.196 176.692 174.600 -0.175 0.000 1.021 374 S CA 0.430 58.558 58.200 -0.120 0.000 0.974 374 S CB -0.097 63.028 63.200 -0.125 0.000 0.800 374 S HN 0.235 nan 8.310 nan 0.000 0.484 375 L N 1.059 122.135 121.223 -0.244 0.000 2.027 375 L HA -0.062 4.278 4.340 -0.000 0.000 0.206 375 L C 2.836 179.207 176.870 -0.832 0.000 1.074 375 L CA 1.159 55.689 54.840 -0.516 0.000 0.745 375 L CB -0.706 41.062 42.059 -0.485 0.000 0.898 375 L HN 0.326 nan 8.230 nan 0.000 0.433 376 A N 0.127 122.667 122.820 -0.466 0.000 1.933 376 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 376 A C 2.240 179.789 177.584 -0.059 0.000 1.175 376 A CA 1.363 53.280 52.037 -0.201 0.000 0.628 376 A CB -0.650 18.336 19.000 -0.023 0.000 0.814 376 A HN 0.362 nan 8.150 nan 0.000 0.444 377 L N -1.321 119.861 121.223 -0.067 0.000 2.093 377 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 377 L C 2.513 179.410 176.870 0.045 0.000 1.085 377 L CA 0.867 55.723 54.840 0.027 0.000 0.755 377 L CB -0.480 41.601 42.059 0.037 0.000 0.904 377 L HN 0.402 nan 8.230 nan 0.000 0.435 378 L N -1.224 119.984 121.223 -0.026 0.000 2.093 378 L HA -0.193 4.146 4.340 -0.000 0.000 0.208 378 L C 2.486 179.445 176.870 0.148 0.000 1.085 378 L CA 1.691 56.553 54.840 0.036 0.000 0.755 378 L CB -0.642 41.412 42.059 -0.008 0.000 0.904 378 L HN 0.088 nan 8.230 nan 0.000 0.435 379 Y N -0.020 120.324 120.300 0.073 0.000 2.114 379 Y HA -0.256 4.294 4.550 -0.000 0.000 0.282 379 Y C 2.640 178.580 175.900 0.067 0.000 1.165 379 Y CA 0.890 59.025 58.100 0.059 0.000 1.148 379 Y CB -1.668 36.814 38.460 0.036 0.000 0.972 379 Y HN 0.291 nan 8.280 nan 0.000 0.504 380 A N 0.213 123.180 122.820 0.245 0.000 1.883 380 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 380 A C 2.078 179.777 177.584 0.191 0.000 1.186 380 A CA 2.060 54.210 52.037 0.189 0.000 0.624 380 A CB -0.819 18.278 19.000 0.161 0.000 0.822 380 A HN 0.379 nan 8.150 nan 0.000 0.444 381 D N -0.239 120.264 120.400 0.172 0.000 2.092 381 D HA -0.118 4.522 4.640 -0.000 0.000 0.193 381 D C 2.125 178.541 176.300 0.194 0.000 0.994 381 D CA 1.661 55.764 54.000 0.172 0.000 0.828 381 D CB -0.627 40.254 40.800 0.135 0.000 0.963 381 D HN 0.205 nan 8.370 nan 0.000 0.450 382 V N 0.999 121.019 119.914 0.177 0.000 2.343 382 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 382 V C 2.528 178.712 176.094 0.149 0.000 1.051 382 V CA 1.029 63.423 62.300 0.156 0.000 1.036 382 V CB -0.442 31.477 31.823 0.159 0.000 0.654 382 V HN 0.111 nan 8.190 nan 0.000 0.451 383 L N -0.213 121.103 121.223 0.154 0.000 2.046 383 L HA -0.190 4.149 4.340 -0.000 0.000 0.208 383 L C 2.490 179.511 176.870 0.253 0.000 1.077 383 L CA 2.326 57.257 54.840 0.151 0.000 0.747 383 L CB -0.790 41.334 42.059 0.108 0.000 0.896 383 L HN 0.525 nan 8.230 nan 0.000 0.432 384 H N -0.404 118.753 119.070 0.145 0.000 2.353 384 H HA -0.155 4.401 4.556 -0.000 0.000 0.300 384 H C 2.093 177.479 175.328 0.097 0.000 1.090 384 H CA 2.200 58.319 56.048 0.118 0.000 1.327 384 H CB 0.056 29.874 29.762 0.094 0.000 1.383 384 H HN 0.474 nan 8.280 nan 0.000 0.508 385 E N -0.230 119.989 120.200 0.032 0.000 2.118 385 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 385 E C 2.237 178.831 176.600 -0.011 0.000 0.992 385 E CA 1.306 57.690 56.400 -0.027 0.000 0.804 385 E CB -0.003 29.734 29.700 0.061 0.000 0.741 385 E HN 0.490 nan 8.360 nan 0.000 0.458 386 L N 0.036 121.320 121.223 0.101 0.000 2.131 386 L HA -0.039 4.301 4.340 -0.000 0.000 0.206 386 L C 2.493 179.403 176.870 0.067 0.000 1.087 386 L CA 0.746 55.712 54.840 0.211 0.000 0.767 386 L CB -0.261 42.042 42.059 0.406 0.000 0.917 386 L HN 0.100 nan 8.230 nan 0.000 0.441 387 A N -0.302 122.559 122.820 0.068 0.000 1.930 387 A HA -0.257 4.062 4.320 -0.000 0.000 0.217 387 A C 2.211 179.633 177.584 -0.271 0.000 1.175 387 A CA 1.721 53.605 52.037 -0.256 0.000 0.627 387 A CB -0.467 18.439 19.000 -0.156 0.000 0.815 387 A HN 0.400 nan 8.150 nan 0.000 0.443 388 Q N -0.625 119.026 119.800 -0.248 0.000 2.124 388 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 388 Q C 1.835 177.736 176.000 -0.166 0.000 0.977 388 Q CA 1.681 57.338 55.803 -0.244 0.000 0.850 388 Q CB -0.396 28.118 28.738 -0.373 0.000 0.901 388 Q HN 0.554 nan 8.270 nan 0.000 0.429 389 L N 0.947 122.073 121.223 -0.162 0.000 2.005 389 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 389 L C 2.235 178.993 176.870 -0.187 0.000 1.072 389 L CA 2.193 56.944 54.840 -0.148 0.000 0.744 389 L CB -0.540 41.415 42.059 -0.174 0.000 0.895 389 L HN 0.341 nan 8.230 nan 0.000 0.433 390 R N -0.366 119.936 120.500 -0.329 0.000 2.299 390 R HA 0.170 4.510 4.340 -0.000 0.000 0.197 390 R C 1.131 177.339 176.300 -0.153 0.000 0.971 390 R CA 0.702 56.640 56.100 -0.269 0.000 1.030 390 R CB -0.725 29.224 30.300 -0.586 0.000 0.932 390 R HN 0.432 nan 8.270 nan 0.000 0.477 391 G N 1.093 109.789 108.800 -0.174 0.000 2.273 391 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.280 391 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.280 391 G C -0.440 174.353 174.900 -0.179 0.000 1.047 391 G CA 0.713 45.733 45.100 -0.133 0.000 0.869 391 G HN 0.595 nan 8.290 nan 0.000 0.502 392 E N -0.342 119.677 120.200 -0.301 0.000 2.354 392 E HA 0.306 4.656 4.350 -0.000 0.000 0.283 392 E C -0.996 175.292 176.600 -0.519 0.000 0.938 392 E CA -0.930 55.262 56.400 -0.347 0.000 0.777 392 E CB 1.224 30.713 29.700 -0.352 0.000 1.222 392 E HN 0.079 nan 8.360 nan 0.000 0.423 393 D N 1.763 121.946 120.400 -0.362 0.000 2.360 393 D HA 0.179 4.819 4.640 -0.000 0.000 0.242 393 D C -0.575 175.437 176.300 -0.479 0.000 1.184 393 D CA 0.528 54.329 54.000 -0.331 0.000 0.930 393 D CB 0.416 41.145 40.800 -0.118 0.000 1.161 393 D HN 0.195 nan 8.370 nan 0.000 0.447 394 F N 0.033 119.958 119.950 -0.042 0.000 2.436 394 F HA 0.110 4.637 4.527 -0.000 0.000 0.340 394 F C 1.704 177.502 175.800 -0.003 0.000 1.113 394 F CA -0.608 57.376 58.000 -0.027 0.000 1.022 394 F CB 1.576 40.561 39.000 -0.025 0.000 1.128 394 F HN 0.175 nan 8.300 nan 0.000 0.466 395 S N 1.316 117.124 115.700 0.181 0.000 2.425 395 S HA 0.120 4.590 4.470 -0.000 0.000 0.225 395 S C 0.305 174.961 174.600 0.095 0.000 1.024 395 S CA 0.348 58.613 58.200 0.109 0.000 0.951 395 S CB -0.047 63.203 63.200 0.083 0.000 0.796 395 S HN 0.730 nan 8.310 nan 0.000 0.498 396 Q N -0.262 119.602 119.800 0.107 0.000 2.418 396 Q HA 0.650 4.990 4.340 -0.000 0.000 0.282 396 Q C -2.193 173.789 176.000 -0.030 0.000 1.044 396 Q CA -0.747 55.058 55.803 0.004 0.000 0.813 396 Q CB 2.473 31.174 28.738 -0.062 0.000 1.428 396 Q HN 0.299 nan 8.270 nan 0.000 0.402 397 L N 1.945 123.094 121.223 -0.124 0.000 2.325 397 L HA 0.396 4.736 4.340 -0.000 0.000 0.281 397 L C -1.357 175.397 176.870 -0.194 0.000 1.004 397 L CA -0.162 54.597 54.840 -0.134 0.000 0.823 397 L CB 0.988 42.971 42.059 -0.128 0.000 1.236 397 L HN 0.613 nan 8.230 nan 0.000 0.415 398 H N 6.940 126.012 119.070 0.002 0.000 2.761 398 H HA 0.357 4.913 4.556 -0.000 0.000 0.284 398 H C -0.489 174.849 175.328 0.017 0.000 1.105 398 H CA -0.243 55.825 56.048 0.034 0.000 1.352 398 H CB 0.934 30.738 29.762 0.071 0.000 1.423 398 H HN 0.527 nan 8.280 nan 0.000 0.464 399 I N 4.998 125.604 120.570 0.059 0.000 2.312 399 I HA 0.116 4.286 4.170 -0.000 0.000 0.291 399 I C 0.684 176.830 176.117 0.049 0.000 1.031 399 I CA -0.613 60.692 61.300 0.009 0.000 1.293 399 I CB 0.961 38.913 38.000 -0.079 0.000 1.403 399 I HN 0.238 nan 8.210 nan 0.000 0.484 400 V N 2.930 122.875 119.914 0.051 0.000 3.113 400 V HA 1.090 5.210 4.120 -0.000 0.000 0.316 400 V C 0.218 176.332 176.094 0.034 0.000 1.125 400 V CA -0.206 62.122 62.300 0.047 0.000 1.026 400 V CB 1.277 33.128 31.823 0.046 0.000 1.080 400 V HN 1.048 nan 8.190 nan 0.000 0.444 401 G N 0.556 109.375 108.800 0.031 0.000 2.655 401 G HA2 0.253 4.213 3.960 -0.000 0.000 0.680 401 G HA3 0.253 4.213 3.960 -0.000 0.000 0.680 401 G C 0.567 175.485 174.900 0.029 0.000 1.302 401 G CA -0.147 44.973 45.100 0.033 0.000 0.872 401 G HN 1.936 nan 8.290 nan 0.000 0.540 402 G N -0.348 108.471 108.800 0.033 0.000 2.432 402 G HA2 0.250 4.210 3.960 -0.000 0.000 0.219 402 G HA3 0.250 4.210 3.960 -0.000 0.000 0.219 402 G C 1.928 176.840 174.900 0.020 0.000 1.135 402 G CA 1.935 47.050 45.100 0.025 0.000 0.767 402 G HN 1.950 nan 8.290 nan 0.000 0.550 403 G N 0.439 109.257 108.800 0.030 0.000 2.470 403 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 403 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 403 G C 1.907 176.791 174.900 -0.027 0.000 1.121 403 G CA 1.422 46.532 45.100 0.015 0.000 0.766 403 G HN 0.786 nan 8.290 nan 0.000 0.553 404 C N -0.508 118.782 119.300 -0.018 0.000 2.511 404 C HA 0.251 4.711 4.460 -0.000 0.000 0.277 404 C C 2.223 177.198 174.990 -0.024 0.000 1.451 404 C CA 0.127 59.125 59.018 -0.034 0.000 1.735 404 C CB -0.817 26.924 27.740 0.002 0.000 1.704 404 C HN 0.497 nan 8.230 nan 0.000 0.571 405 Q N 0.816 120.605 119.800 -0.018 0.000 2.424 405 Q HA 0.074 4.414 4.340 -0.000 0.000 0.204 405 Q C 0.560 176.535 176.000 -0.041 0.000 0.933 405 Q CA 0.094 55.893 55.803 -0.006 0.000 0.929 405 Q CB -0.185 28.555 28.738 0.002 0.000 1.037 405 Q HN 0.594 nan 8.270 nan 0.000 0.511 406 N N 1.450 120.090 118.700 -0.100 0.000 2.549 406 N HA -0.035 4.705 4.740 -0.000 0.000 0.267 406 N C 0.680 176.049 175.510 -0.236 0.000 1.182 406 N CA 0.285 53.224 53.050 -0.186 0.000 1.019 406 N CB 0.783 39.104 38.487 -0.277 0.000 1.380 406 N HN 0.190 nan 8.380 nan 0.000 0.505 407 T N 0.719 115.189 114.554 -0.141 0.000 2.881 407 T HA -0.184 4.166 4.350 -0.000 0.000 0.270 407 T C 1.849 176.429 174.700 -0.201 0.000 1.068 407 T CA 0.568 62.603 62.100 -0.107 0.000 1.131 407 T CB -0.090 68.868 68.868 0.150 0.000 0.871 407 T HN 0.310 nan 8.240 nan 0.000 0.479 408 L N 0.652 121.756 121.223 -0.198 0.000 1.994 408 L HA 0.162 4.502 4.340 -0.000 0.000 0.208 408 L C 2.301 179.003 176.870 -0.280 0.000 1.071 408 L CA 1.579 56.297 54.840 -0.204 0.000 0.745 408 L CB -1.262 40.665 42.059 -0.219 0.000 0.892 408 L HN 0.284 nan 8.230 nan 0.000 0.431 409 L N 0.240 121.214 121.223 -0.414 0.000 2.083 409 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 409 L C 2.261 178.979 176.870 -0.253 0.000 1.083 409 L CA 1.553 56.202 54.840 -0.318 0.000 0.752 409 L CB -1.168 40.675 42.059 -0.359 0.000 0.899 409 L HN 0.388 nan 8.230 nan 0.000 0.433 410 N N -0.458 117.981 118.700 -0.434 0.000 2.104 410 N HA -0.249 4.491 4.740 -0.000 0.000 0.190 410 N C 1.859 177.014 175.510 -0.591 0.000 1.024 410 N CA 1.480 54.124 53.050 -0.677 0.000 0.853 410 N CB -0.288 37.343 38.487 -1.426 0.000 1.008 410 N HN 0.433 nan 8.380 nan 0.000 0.424 411 Q N 0.656 120.172 119.800 -0.474 0.000 2.123 411 Q HA 0.139 4.479 4.340 -0.000 0.000 0.199 411 Q C 2.094 178.060 176.000 -0.058 0.000 0.966 411 Q CA 0.813 56.539 55.803 -0.128 0.000 0.845 411 Q CB -0.284 28.477 28.738 0.038 0.000 0.907 411 Q HN 0.352 nan 8.270 nan 0.000 0.439 412 L N -0.558 120.620 121.223 -0.074 0.000 2.046 412 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 412 L C 2.617 179.501 176.870 0.024 0.000 1.077 412 L CA 1.293 56.121 54.840 -0.019 0.000 0.747 412 L CB -0.631 41.418 42.059 -0.018 0.000 0.896 412 L HN 0.452 nan 8.230 nan 0.000 0.432 413 C N -0.149 119.172 119.300 0.035 0.000 2.429 413 C HA -0.143 4.317 4.460 -0.000 0.000 0.277 413 C C 3.106 178.125 174.990 0.049 0.000 1.262 413 C CA 0.769 59.851 59.018 0.106 0.000 1.733 413 C CB -0.748 27.043 27.740 0.085 0.000 2.010 413 C HN 0.573 nan 8.230 nan 0.000 0.483 414 A N 0.475 123.299 122.820 0.007 0.000 1.877 414 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 414 A C 1.863 179.476 177.584 0.048 0.000 1.186 414 A CA 2.331 54.388 52.037 0.034 0.000 0.620 414 A CB -0.814 18.225 19.000 0.065 0.000 0.822 414 A HN 0.628 nan 8.150 nan 0.000 0.443 415 D N -0.051 120.375 120.400 0.043 0.000 2.117 415 D HA -0.015 4.625 4.640 -0.000 0.000 0.197 415 D C 2.190 178.523 176.300 0.055 0.000 0.987 415 D CA 1.579 55.603 54.000 0.040 0.000 0.829 415 D CB -0.415 40.398 40.800 0.022 0.000 0.961 415 D HN 0.431 nan 8.370 nan 0.000 0.460 416 A N 0.030 122.891 122.820 0.068 0.000 1.897 416 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 416 A C 2.302 179.948 177.584 0.104 0.000 1.181 416 A CA 0.944 53.037 52.037 0.093 0.000 0.620 416 A CB -0.670 18.391 19.000 0.101 0.000 0.821 416 A HN 0.353 nan 8.150 nan 0.000 0.443 417 C N -0.815 118.547 119.300 0.102 0.000 2.500 417 C HA 0.369 4.829 4.460 -0.000 0.000 0.273 417 C C 1.932 176.976 174.990 0.090 0.000 1.428 417 C CA 0.053 59.135 59.018 0.107 0.000 1.766 417 C CB -1.375 26.422 27.740 0.095 0.000 1.817 417 C HN 1.029 nan 8.230 nan 0.000 0.543 418 G N 1.191 110.034 108.800 0.071 0.000 2.305 418 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.287 418 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.287 418 G C -0.204 174.731 174.900 0.058 0.000 1.036 418 G CA 0.644 45.778 45.100 0.056 0.000 0.887 418 G HN 0.647 nan 8.290 nan 0.000 0.505 419 I N -1.430 119.174 120.570 0.058 0.000 2.769 419 I HA 0.577 4.747 4.170 -0.000 0.000 0.298 419 I C 0.474 176.615 176.117 0.040 0.000 1.128 419 I CA -1.810 59.522 61.300 0.054 0.000 1.031 419 I CB 1.537 39.575 38.000 0.063 0.000 1.235 419 I HN 0.202 nan 8.210 nan 0.000 0.423 420 R N 5.364 125.883 120.500 0.032 0.000 2.449 420 R HA 0.363 4.703 4.340 -0.000 0.000 0.296 420 R C -1.760 174.537 176.300 -0.004 0.000 1.047 420 R CA -0.048 56.066 56.100 0.023 0.000 1.018 420 R CB 0.687 30.993 30.300 0.010 0.000 0.962 420 R HN 0.427 nan 8.270 nan 0.000 0.428 421 V N 6.982 126.918 119.914 0.038 0.000 2.398 421 V HA 0.338 4.458 4.120 -0.000 0.000 0.286 421 V C -0.010 176.122 176.094 0.064 0.000 1.026 421 V CA -0.731 61.581 62.300 0.021 0.000 0.868 421 V CB 1.621 33.460 31.823 0.028 0.000 0.982 421 V HN 0.671 nan 8.190 nan 0.000 0.443 422 I N 4.634 125.162 120.570 -0.069 0.000 2.354 422 I HA 0.527 4.697 4.170 -0.000 0.000 0.286 422 I C 0.428 176.586 176.117 0.067 0.000 1.007 422 I CA -0.352 60.934 61.300 -0.024 0.000 1.167 422 I CB 1.379 39.265 38.000 -0.189 0.000 1.320 422 I HN 0.637 nan 8.210 nan 0.000 0.458 423 A N 4.978 127.901 122.820 0.172 0.000 2.276 423 A HA 0.843 5.163 4.320 -0.000 0.000 0.300 423 A C 0.513 178.173 177.584 0.127 0.000 1.235 423 A CA 0.076 52.203 52.037 0.150 0.000 0.867 423 A CB 0.652 19.791 19.000 0.233 0.000 1.137 423 A HN 1.131 nan 8.150 nan 0.000 0.527 424 G N 2.703 111.565 108.800 0.102 0.000 2.375 424 G HA2 0.269 4.229 3.960 -0.000 0.000 0.663 424 G HA3 0.269 4.229 3.960 -0.000 0.000 0.663 424 G C -3.464 171.482 174.900 0.077 0.000 1.391 424 G CA -0.560 44.587 45.100 0.079 0.000 0.949 424 G HN 0.661 nan 8.290 nan 0.000 0.646 425 P HA 0.379 nan 4.420 nan 0.000 0.276 425 P C 1.262 178.583 177.300 0.035 0.000 1.244 425 P CA -0.303 62.817 63.100 0.034 0.000 0.801 425 P CB 1.472 33.184 31.700 0.020 0.000 1.006 426 V N 0.826 120.759 119.914 0.030 0.000 2.261 426 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 426 V C 1.410 177.517 176.094 0.022 0.000 1.047 426 V CA 1.838 64.153 62.300 0.026 0.000 1.015 426 V CB -0.980 30.856 31.823 0.021 0.000 0.642 426 V HN 0.554 nan 8.190 nan 0.000 0.446 427 E N 0.144 120.357 120.200 0.021 0.000 2.341 427 E HA 0.415 4.765 4.350 -0.000 0.000 0.279 427 E C 1.283 177.898 176.600 0.027 0.000 1.395 427 E CA 0.395 56.806 56.400 0.018 0.000 1.648 427 E CB 0.577 30.285 29.700 0.014 0.000 1.524 427 E HN 0.448 nan 8.360 nan 0.000 0.462 428 A N 0.653 123.488 122.820 0.025 0.000 1.902 428 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 428 A C 2.336 179.931 177.584 0.020 0.000 1.181 428 A CA 1.586 53.640 52.037 0.029 0.000 0.623 428 A CB -0.061 18.947 19.000 0.013 0.000 0.818 428 A HN 0.316 nan 8.150 nan 0.000 0.443 429 S N -0.577 115.121 115.700 -0.003 0.000 2.368 429 S HA -0.126 4.344 4.470 -0.000 0.000 0.225 429 S C 2.078 176.668 174.600 -0.017 0.000 1.030 429 S CA 1.755 59.941 58.200 -0.024 0.000 0.999 429 S CB -0.534 62.649 63.200 -0.028 0.000 0.844 429 S HN 0.710 nan 8.310 nan 0.000 0.459 430 T N 2.910 117.462 114.554 -0.003 0.000 2.684 430 T HA -0.029 4.321 4.350 -0.000 0.000 0.267 430 T C 1.772 176.485 174.700 0.021 0.000 1.036 430 T CA 1.131 63.231 62.100 0.000 0.000 1.148 430 T CB -0.489 68.383 68.868 0.006 0.000 0.863 430 T HN 0.230 nan 8.240 nan 0.000 0.436 431 L N 0.542 121.807 121.223 0.071 0.000 2.017 431 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 431 L C 3.022 179.974 176.870 0.136 0.000 1.073 431 L CA 1.439 56.388 54.840 0.182 0.000 0.745 431 L CB -0.925 41.278 42.059 0.239 0.000 0.894 431 L HN 0.370 nan 8.230 nan 0.000 0.432 432 G N -0.422 108.416 108.800 0.063 0.000 2.432 432 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.219 432 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.219 432 G C 1.449 176.227 174.900 -0.204 0.000 1.135 432 G CA 0.788 45.831 45.100 -0.096 0.000 0.767 432 G HN 0.330 nan 8.290 nan 0.000 0.550 433 N N 1.102 119.728 118.700 -0.123 0.000 2.058 433 N HA -0.128 4.612 4.740 -0.000 0.000 0.191 433 N C 2.178 177.594 175.510 -0.158 0.000 1.037 433 N CA 1.076 54.054 53.050 -0.120 0.000 0.848 433 N CB -0.308 38.135 38.487 -0.074 0.000 1.021 433 N HN 0.175 nan 8.380 nan 0.000 0.422 434 I N 1.070 121.557 120.570 -0.138 0.000 2.264 434 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 434 I C 2.474 178.391 176.117 -0.333 0.000 1.111 434 I CA 1.200 62.411 61.300 -0.147 0.000 1.382 434 I CB -1.939 36.045 38.000 -0.027 0.000 1.060 434 I HN 0.200 nan 8.210 nan 0.000 0.418 435 G N 1.485 109.877 108.800 -0.680 0.000 2.440 435 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 435 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 435 G C 1.659 176.171 174.900 -0.647 0.000 1.154 435 G CA 0.391 44.725 45.100 -1.276 0.000 0.767 435 G HN 0.221 nan 8.290 nan 0.000 0.552 436 I N 0.740 121.058 120.570 -0.419 0.000 2.252 436 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 436 I C 2.873 178.880 176.117 -0.184 0.000 1.102 436 I CA 1.045 62.197 61.300 -0.246 0.000 1.385 436 I CB -1.245 36.654 38.000 -0.170 0.000 1.064 436 I HN 0.350 nan 8.210 nan 0.000 0.414 437 Q N 0.550 120.246 119.800 -0.172 0.000 2.077 437 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 437 Q C 2.407 178.340 176.000 -0.113 0.000 0.989 437 Q CA 1.480 57.213 55.803 -0.117 0.000 0.853 437 Q CB -0.260 28.421 28.738 -0.095 0.000 0.907 437 Q HN 0.483 nan 8.270 nan 0.000 0.418 438 L N -0.203 120.922 121.223 -0.164 0.000 2.083 438 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 438 L C 2.439 179.239 176.870 -0.117 0.000 1.083 438 L CA 0.984 55.732 54.840 -0.154 0.000 0.752 438 L CB -0.310 41.584 42.059 -0.275 0.000 0.899 438 L HN 0.334 nan 8.230 nan 0.000 0.433 439 M N -1.200 118.319 119.600 -0.135 0.000 2.175 439 M HA -0.146 4.334 4.480 -0.000 0.000 0.264 439 M C 2.193 178.458 176.300 -0.058 0.000 1.063 439 M CA 1.675 56.922 55.300 -0.088 0.000 1.119 439 M CB -0.564 31.976 32.600 -0.100 0.000 1.377 439 M HN 0.154 nan 8.290 nan 0.000 0.415 440 T N 0.822 115.339 114.554 -0.062 0.000 2.915 440 T HA -0.039 4.311 4.350 -0.000 0.000 0.269 440 T C 1.478 176.163 174.700 -0.025 0.000 1.071 440 T CA 0.892 62.967 62.100 -0.041 0.000 1.132 440 T CB -0.038 68.803 68.868 -0.045 0.000 0.878 440 T HN 0.119 nan 8.240 nan 0.000 0.479 441 L N 1.029 122.237 121.223 -0.026 0.000 2.591 441 L HA 0.226 4.566 4.340 -0.000 0.000 0.228 441 L C 0.866 177.739 176.870 0.005 0.000 1.133 441 L CA 0.587 55.424 54.840 -0.006 0.000 0.880 441 L CB -0.779 41.281 42.059 0.000 0.000 1.033 441 L HN 0.198 nan 8.230 nan 0.000 0.450 442 D N -0.707 119.691 120.400 -0.002 0.000 2.981 442 D HA -0.220 4.420 4.640 -0.000 0.000 0.223 442 D C 1.230 177.549 176.300 0.032 0.000 1.151 442 D CA 0.732 54.737 54.000 0.010 0.000 0.827 442 D CB -0.465 40.343 40.800 0.013 0.000 1.101 442 D HN 0.294 nan 8.370 nan 0.000 0.426 443 E N -0.928 119.292 120.200 0.033 0.000 2.447 443 E HA 0.199 4.549 4.350 -0.000 0.000 0.195 443 E C 0.429 177.076 176.600 0.077 0.000 1.028 443 E CA 0.185 56.641 56.400 0.093 0.000 0.876 443 E CB 0.522 30.294 29.700 0.121 0.000 0.885 443 E HN 0.396 nan 8.360 nan 0.000 0.500 444 L N 0.544 121.771 121.223 0.007 0.000 2.482 444 L HA 0.275 4.615 4.340 -0.000 0.000 0.263 444 L C 0.336 177.207 176.870 0.002 0.000 0.957 444 L CA -0.311 54.528 54.840 -0.001 0.000 0.836 444 L CB 1.965 43.974 42.059 -0.084 0.000 1.324 444 L HN -0.326 nan 8.230 nan 0.000 0.406 445 N N 1.500 120.215 118.700 0.025 0.000 2.305 445 N HA 0.071 4.810 4.740 -0.000 0.000 0.179 445 N C -0.275 175.238 175.510 0.005 0.000 1.019 445 N CA 0.827 53.887 53.050 0.017 0.000 0.869 445 N CB -0.127 38.377 38.487 0.028 0.000 1.000 445 N HN 0.792 nan 8.380 nan 0.000 0.431 446 N N -2.525 116.185 118.700 0.016 0.000 3.378 446 N HA 0.107 4.847 4.740 -0.000 0.000 0.294 446 N C 0.252 175.785 175.510 0.038 0.000 1.544 446 N CA -0.581 52.475 53.050 0.010 0.000 0.872 446 N CB 0.813 39.306 38.487 0.011 0.000 1.670 446 N HN -0.288 nan 8.380 nan 0.000 0.551 447 V N 0.180 120.115 119.914 0.036 0.000 2.453 447 V HA -0.119 4.001 4.120 -0.000 0.000 0.247 447 V C 1.079 177.239 176.094 0.111 0.000 1.048 447 V CA 1.983 64.329 62.300 0.077 0.000 1.049 447 V CB -0.854 30.993 31.823 0.041 0.000 0.672 447 V HN 0.629 nan 8.190 nan 0.000 0.457 448 D N -0.030 120.412 120.400 0.070 0.000 2.117 448 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 448 D C 1.970 178.307 176.300 0.061 0.000 0.987 448 D CA 1.389 55.424 54.000 0.058 0.000 0.829 448 D CB -0.385 40.442 40.800 0.044 0.000 0.961 448 D HN 0.371 nan 8.370 nan 0.000 0.460 449 D N -0.251 120.193 120.400 0.074 0.000 2.106 449 D HA -0.206 4.434 4.640 -0.000 0.000 0.191 449 D C 1.903 178.268 176.300 0.108 0.000 0.997 449 D CA 0.689 54.739 54.000 0.083 0.000 0.834 449 D CB -0.382 40.469 40.800 0.085 0.000 0.956 449 D HN 0.139 nan 8.370 nan 0.000 0.448 450 F N 1.387 121.322 119.950 -0.025 0.000 2.134 450 F HA -0.043 4.483 4.527 -0.000 0.000 0.299 450 F C 2.475 178.263 175.800 -0.020 0.000 1.097 450 F CA 1.350 59.325 58.000 -0.041 0.000 1.264 450 F CB -0.200 38.757 39.000 -0.071 0.000 1.001 450 F HN -0.120 nan 8.300 nan 0.000 0.479 451 R N -0.230 120.235 120.500 -0.057 0.000 2.189 451 R HA -0.143 4.197 4.340 -0.000 0.000 0.223 451 R C 2.175 178.388 176.300 -0.144 0.000 1.092 451 R CA 1.397 57.410 56.100 -0.144 0.000 0.989 451 R CB -0.354 29.923 30.300 -0.039 0.000 0.876 451 R HN 0.470 nan 8.270 nan 0.000 0.457 452 Q N -0.169 119.580 119.800 -0.085 0.000 2.123 452 Q HA -0.078 4.262 4.340 -0.000 0.000 0.199 452 Q C 2.152 178.105 176.000 -0.079 0.000 0.966 452 Q CA 1.137 56.907 55.803 -0.054 0.000 0.845 452 Q CB 0.174 28.908 28.738 -0.007 0.000 0.907 452 Q HN 0.155 nan 8.270 nan 0.000 0.439 453 V N 0.277 120.121 119.914 -0.116 0.000 2.255 453 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 453 V C 2.251 178.234 176.094 -0.186 0.000 1.051 453 V CA 1.592 63.827 62.300 -0.107 0.000 1.018 453 V CB -0.549 31.233 31.823 -0.068 0.000 0.641 453 V HN 0.189 nan 8.190 nan 0.000 0.445 454 V N 1.131 120.824 119.914 -0.367 0.000 2.287 454 V HA -0.249 3.870 4.120 -0.000 0.000 0.248 454 V C 2.618 178.626 176.094 -0.143 0.000 1.053 454 V CA 2.408 64.525 62.300 -0.305 0.000 1.027 454 V CB -1.011 30.570 31.823 -0.403 0.000 0.646 454 V HN 0.770 nan 8.190 nan 0.000 0.447 455 S N 0.268 115.899 115.700 -0.114 0.000 2.515 455 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 455 S C 1.623 176.207 174.600 -0.028 0.000 0.987 455 S CA 1.261 59.432 58.200 -0.048 0.000 0.936 455 S CB -0.481 62.702 63.200 -0.028 0.000 0.766 455 S HN 0.775 nan 8.310 nan 0.000 0.528 456 T N -3.711 110.820 114.554 -0.038 0.000 3.044 456 T HA 0.314 4.664 4.350 -0.000 0.000 0.260 456 T C 1.100 175.787 174.700 -0.021 0.000 1.019 456 T CA 0.231 62.318 62.100 -0.021 0.000 0.921 456 T CB 0.373 69.233 68.868 -0.014 0.000 1.053 456 T HN 0.247 nan 8.240 nan 0.000 0.533 457 T N 1.662 116.197 114.554 -0.033 0.000 3.151 457 T HA 0.585 4.935 4.350 -0.000 0.000 0.239 457 T C 1.180 175.869 174.700 -0.018 0.000 0.979 457 T CA 0.355 62.441 62.100 -0.023 0.000 1.194 457 T CB -0.184 68.669 68.868 -0.024 0.000 0.982 457 T HN 0.601 nan 8.240 nan 0.000 0.428 458 A N 2.405 125.209 122.820 -0.027 0.000 2.406 458 A HA 0.304 4.624 4.320 -0.000 0.000 0.243 458 A C 0.370 177.954 177.584 0.000 0.000 1.082 458 A CA -0.305 51.726 52.037 -0.011 0.000 0.786 458 A CB -0.156 18.835 19.000 -0.015 0.000 1.029 458 A HN 0.493 nan 8.150 nan 0.000 0.495 459 N N 1.261 119.966 118.700 0.008 0.000 2.420 459 N HA 0.258 4.997 4.740 -0.000 0.000 0.262 459 N C -1.259 174.265 175.510 0.025 0.000 1.144 459 N CA 0.113 53.171 53.050 0.012 0.000 0.952 459 N CB 0.068 38.563 38.487 0.013 0.000 1.081 459 N HN 0.519 nan 8.380 nan 0.000 0.480 460 L N 2.998 124.235 121.223 0.023 0.000 2.325 460 L HA 0.346 4.686 4.340 -0.000 0.000 0.281 460 L C -0.151 176.730 176.870 0.018 0.000 1.004 460 L CA -0.712 54.152 54.840 0.040 0.000 0.823 460 L CB 1.996 44.084 42.059 0.050 0.000 1.236 460 L HN 0.380 nan 8.230 nan 0.000 0.415 461 T N 0.632 115.209 114.554 0.038 0.000 2.771 461 T HA 0.353 4.703 4.350 -0.000 0.000 0.281 461 T C 0.064 174.726 174.700 -0.064 0.000 0.982 461 T CA -0.438 61.634 62.100 -0.047 0.000 0.978 461 T CB 1.538 70.390 68.868 -0.026 0.000 0.930 461 T HN 0.401 nan 8.240 nan 0.000 0.447 462 T N 3.715 118.146 114.554 -0.205 0.000 2.799 462 T HA 0.510 4.860 4.350 -0.000 0.000 0.286 462 T C -0.627 173.857 174.700 -0.360 0.000 0.973 462 T CA -0.269 61.743 62.100 -0.147 0.000 1.035 462 T CB 0.019 68.828 68.868 -0.098 0.000 0.932 462 T HN 0.361 nan 8.240 nan 0.000 0.469 463 F N 1.888 121.817 119.950 -0.036 0.000 2.402 463 F HA 0.337 4.864 4.527 -0.000 0.000 0.355 463 F C 0.986 176.770 175.800 -0.026 0.000 1.123 463 F CA -0.924 57.058 58.000 -0.029 0.000 1.021 463 F CB 1.408 40.389 39.000 -0.031 0.000 1.160 463 F HN 0.359 nan 8.300 nan 0.000 0.451 464 T N 5.476 120.086 114.554 0.093 0.000 2.817 464 T HA 0.258 4.607 4.350 -0.000 0.000 0.293 464 T C -2.473 172.271 174.700 0.073 0.000 0.964 464 T CA -1.366 60.768 62.100 0.057 0.000 1.085 464 T CB 0.780 69.658 68.868 0.016 0.000 0.921 464 T HN 0.210 nan 8.240 nan 0.000 0.502 465 P HA 0.123 nan 4.420 nan 0.000 0.271 465 P C -0.551 176.773 177.300 0.040 0.000 1.226 465 P CA -0.367 62.765 63.100 0.053 0.000 0.765 465 P CB 0.417 32.145 31.700 0.047 0.000 0.835 466 N N 5.299 124.021 118.700 0.036 0.000 2.457 466 N HA 0.173 4.913 4.740 -0.000 0.000 0.250 466 N C -1.508 174.014 175.510 0.021 0.000 0.982 466 N CA -2.623 50.440 53.050 0.023 0.000 0.941 466 N CB 0.769 39.264 38.487 0.013 0.000 1.120 466 N HN 0.180 nan 8.380 nan 0.000 0.505 467 P HA 0.005 nan 4.420 nan 0.000 0.222 467 P C -0.353 177.006 177.300 0.097 0.000 1.153 467 P CA 1.001 64.133 63.100 0.054 0.000 0.798 467 P CB 0.480 32.208 31.700 0.046 0.000 0.796 468 D N -0.240 120.203 120.400 0.072 0.000 2.460 468 D HA 0.084 4.724 4.640 -0.000 0.000 0.229 468 D C 0.447 176.608 176.300 -0.233 0.000 1.170 468 D CA 0.204 54.276 54.000 0.121 0.000 0.827 468 D CB 0.252 41.134 40.800 0.137 0.000 0.973 468 D HN 0.091 nan 8.370 nan 0.000 0.496 469 S N 0.151 115.699 115.700 -0.254 0.000 2.632 469 S HA 0.073 4.543 4.470 -0.000 0.000 0.271 469 S C 1.422 175.721 174.600 -0.501 0.000 1.260 469 S CA -0.443 57.585 58.200 -0.287 0.000 1.010 469 S CB 1.951 65.086 63.200 -0.108 0.000 0.965 469 S HN 0.043 nan 8.310 nan 0.000 0.534 470 E N 1.477 121.488 120.200 -0.314 0.000 2.058 470 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 470 E C 1.717 178.299 176.600 -0.031 0.000 0.997 470 E CA 1.389 57.677 56.400 -0.186 0.000 0.801 470 E CB -0.112 29.534 29.700 -0.090 0.000 0.746 470 E HN 0.736 nan 8.360 nan 0.000 0.450 471 I N 0.157 120.713 120.570 -0.023 0.000 2.546 471 I HA -0.174 3.996 4.170 -0.000 0.000 0.255 471 I C 2.143 178.332 176.117 0.120 0.000 1.163 471 I CA 0.776 62.103 61.300 0.046 0.000 1.457 471 I CB 0.045 38.045 38.000 0.001 0.000 1.092 471 I HN 0.027 nan 8.210 nan 0.000 0.434 472 A N -0.099 122.758 122.820 0.062 0.000 1.898 472 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 472 A C 2.089 179.781 177.584 0.179 0.000 1.181 472 A CA 1.715 53.808 52.037 0.093 0.000 0.620 472 A CB -1.173 17.860 19.000 0.055 0.000 0.819 472 A HN 0.583 nan 8.150 nan 0.000 0.442 473 H N -3.125 115.980 119.070 0.058 0.000 2.352 473 H HA -0.223 4.332 4.556 -0.000 0.000 0.299 473 H C 2.075 177.443 175.328 0.067 0.000 1.097 473 H CA 1.801 57.877 56.048 0.047 0.000 1.311 473 H CB -0.188 29.604 29.762 0.050 0.000 1.377 473 H HN 0.677 nan 8.280 nan 0.000 0.504 474 Y N 1.146 121.523 120.300 0.129 0.000 2.145 474 Y HA -0.229 4.320 4.550 -0.000 0.000 0.286 474 Y C 2.445 178.383 175.900 0.064 0.000 1.145 474 Y CA 1.170 59.312 58.100 0.069 0.000 1.148 474 Y CB -0.313 38.171 38.460 0.041 0.000 0.981 474 Y HN -0.090 nan 8.280 nan 0.000 0.507 475 V N 0.121 120.160 119.914 0.208 0.000 2.427 475 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 475 V C 2.553 178.683 176.094 0.060 0.000 1.051 475 V CA 1.606 63.995 62.300 0.148 0.000 1.048 475 V CB -1.303 30.622 31.823 0.170 0.000 0.666 475 V HN 0.561 nan 8.190 nan 0.000 0.456 476 A N -0.672 122.131 122.820 -0.027 0.000 1.969 476 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 476 A C 2.231 179.776 177.584 -0.063 0.000 1.169 476 A CA 1.451 53.404 52.037 -0.140 0.000 0.635 476 A CB -0.437 18.499 19.000 -0.106 0.000 0.810 476 A HN 0.481 nan 8.150 nan 0.000 0.445 477 L N -0.069 121.113 121.223 -0.067 0.000 2.093 477 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 477 L C 2.165 178.978 176.870 -0.094 0.000 1.085 477 L CA 1.566 56.346 54.840 -0.099 0.000 0.755 477 L CB -0.288 41.675 42.059 -0.160 0.000 0.904 477 L HN 0.637 nan 8.230 nan 0.000 0.435 478 I N -4.580 115.927 120.570 -0.105 0.000 3.444 478 I HA -0.105 4.065 4.170 -0.000 0.000 0.287 478 I C 1.814 177.931 176.117 0.000 0.000 1.302 478 I CA 1.047 62.293 61.300 -0.089 0.000 1.368 478 I CB -0.696 37.216 38.000 -0.146 0.000 1.048 478 I HN 0.078 nan 8.210 nan 0.000 0.487 479 H N 0.873 119.888 119.070 -0.091 0.000 2.415 479 H HA 0.251 4.807 4.556 -0.000 0.000 0.297 479 H C 1.379 176.673 175.328 -0.057 0.000 1.048 479 H CA 0.722 56.728 56.048 -0.070 0.000 1.365 479 H CB 0.046 29.770 29.762 -0.063 0.000 1.421 479 H HN 0.626 nan 8.280 nan 0.000 0.533 480 S N 0.000 115.736 115.700 0.060 0.000 2.498 480 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 480 S CA 0.000 58.208 58.200 0.013 0.000 1.107 480 S CB 0.000 63.210 63.200 0.016 0.000 0.593 480 S HN 0.000 nan 8.310 nan 0.000 0.517