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 3eol_1_A DATA FIRST_RESID 3 DATA SEQUENCE DFYSLIPSAP KGRFDGIERA HTAEDVKRLR GSVEIKYSLA EMGANRLWKL DATA SEQUENCE IHEEDFVNAL GALSGNQAMQ MVRAGLKAIY LSXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXNAGPE LAKRINRTLQ RADQIETAEG KGLSVDTWFA PIVADAEXXX DATA SEQUENCE GDPLDAFEIM KAYIEAGAAG VHFEDQLAXX XXXXXXXGKV LIPTAAHIRN DATA SEQUENCE LNAARLAADV MGTPTLIVAR TDAEAAKLLT SDIDERDQPF VDYEAGRTAE DATA SEQUENCE GFYQVKNGIE PCIARAIAYA PYCDLIWMET SKPDLAQARR FAEAVHKAHP DATA SEQUENCE GKLLAYNCSP SFNWKKNLDD ATIAKFQREL GAMGYKFQFI TLAGFHQLNY DATA SEQUENCE GMFELARGYK DRQMAAYSEL QQAEFAAEAD GYTATXXXXX XXXGYFDAVS DATA SEQUENCE LAITG 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.169 176.300 -0.218 0.000 2.045 3 D CA 0.000 53.945 54.000 -0.091 0.000 0.868 3 D CB 0.000 40.809 40.800 0.014 0.000 0.688 4 F N 1.666 121.585 119.950 -0.051 0.000 2.698 4 F HA 0.170 4.697 4.527 0.001 0.000 0.295 4 F C 1.354 177.067 175.800 -0.145 0.000 1.124 4 F CA 0.082 57.974 58.000 -0.180 0.000 1.426 4 F CB -0.006 38.738 39.000 -0.426 0.000 1.120 4 F HN 0.462 nan 8.300 nan 0.000 0.583 5 Y N -0.243 120.168 120.300 0.184 0.000 2.352 5 Y HA -0.191 4.360 4.550 0.001 0.000 0.292 5 Y C 2.512 178.472 175.900 0.099 0.000 1.136 5 Y CA 1.339 59.541 58.100 0.170 0.000 1.227 5 Y CB -0.826 37.720 38.460 0.143 0.000 0.991 5 Y HN -0.072 nan 8.280 nan 0.000 0.545 6 S N -0.116 115.691 115.700 0.178 0.000 2.402 6 S HA -0.122 4.349 4.470 0.001 0.000 0.229 6 S C 1.877 176.518 174.600 0.068 0.000 1.021 6 S CA 0.984 59.240 58.200 0.094 0.000 0.974 6 S CB -0.387 62.837 63.200 0.039 0.000 0.800 6 S HN 0.376 nan 8.310 nan 0.000 0.484 7 L N 0.216 121.472 121.223 0.055 0.000 2.418 7 L HA 0.198 4.538 4.340 0.001 0.000 0.218 7 L C -0.197 176.724 176.870 0.085 0.000 1.125 7 L CA 0.698 55.569 54.840 0.052 0.000 0.835 7 L CB -0.005 42.075 42.059 0.036 0.000 0.953 7 L HN 0.197 nan 8.230 nan 0.000 0.454 8 I N -0.618 120.020 120.570 0.114 0.000 2.782 8 I HA 0.191 4.362 4.170 0.001 0.000 0.279 8 I C -1.860 174.343 176.117 0.144 0.000 1.247 8 I CA -1.112 60.267 61.300 0.132 0.000 1.062 8 I CB 1.217 39.322 38.000 0.175 0.000 1.421 8 I HN -0.193 nan 8.210 nan 0.000 0.558 9 P HA -0.092 nan 4.420 nan 0.000 0.223 9 P C 1.328 178.682 177.300 0.089 0.000 1.151 9 P CA 0.947 64.108 63.100 0.100 0.000 0.787 9 P CB 0.170 31.910 31.700 0.067 0.000 0.788 10 S N -1.565 114.179 115.700 0.075 0.000 2.593 10 S HA 0.303 4.774 4.470 0.001 0.000 0.217 10 S C 1.049 175.671 174.600 0.037 0.000 0.966 10 S CA -0.313 57.917 58.200 0.050 0.000 0.914 10 S CB -0.879 62.343 63.200 0.037 0.000 0.776 10 S HN 0.102 nan 8.310 nan 0.000 0.523 11 A N 4.028 126.889 122.820 0.069 0.000 2.492 11 A HA 0.512 4.833 4.320 0.001 0.000 0.254 11 A C -1.745 175.856 177.584 0.029 0.000 1.091 11 A CA -1.230 50.811 52.037 0.006 0.000 0.768 11 A CB -0.234 18.825 19.000 0.099 0.000 1.028 11 A HN 0.448 nan 8.150 nan 0.000 0.498 12 P HA 0.150 nan 4.420 nan 0.000 0.274 12 P C -0.674 176.620 177.300 -0.011 0.000 1.246 12 P CA -0.421 62.658 63.100 -0.035 0.000 0.795 12 P CB 0.508 32.199 31.700 -0.016 0.000 1.006 13 K N 0.405 120.789 120.400 -0.026 0.000 2.451 13 K HA 0.233 4.554 4.320 0.001 0.000 0.280 13 K C 1.219 177.814 176.600 -0.008 0.000 1.020 13 K CA 0.865 57.098 56.287 -0.090 0.000 1.008 13 K CB -0.570 31.880 32.500 -0.083 0.000 0.917 13 K HN 0.867 nan 8.250 nan 0.000 0.478 14 G N 2.404 111.204 108.800 -0.001 0.000 2.184 14 G HA2 -0.350 3.611 3.960 0.001 0.000 0.264 14 G HA3 -0.350 3.611 3.960 0.001 0.000 0.264 14 G C 0.995 175.978 174.900 0.139 0.000 0.975 14 G CA 0.692 45.865 45.100 0.122 0.000 0.642 14 G HN 0.662 nan 8.290 nan 0.000 0.536 15 R N 0.102 120.570 120.500 -0.054 0.000 2.133 15 R HA -0.018 4.323 4.340 0.001 0.000 0.247 15 R C 1.640 177.486 176.300 -0.757 0.000 1.151 15 R CA 2.324 57.977 56.100 -0.745 0.000 0.971 15 R CB -0.593 29.003 30.300 -1.173 0.000 0.866 15 R HN 0.521 nan 8.270 nan 0.000 0.447 16 F N 0.469 120.412 119.950 -0.012 0.000 2.639 16 F HA 0.289 4.817 4.527 0.001 0.000 0.302 16 F C -0.178 175.645 175.800 0.040 0.000 1.097 16 F CA -1.079 56.874 58.000 -0.078 0.000 1.294 16 F CB -0.084 38.750 39.000 -0.276 0.000 1.027 16 F HN -0.174 nan 8.300 nan 0.000 0.550 17 D N 0.820 121.362 120.400 0.236 0.000 2.586 17 D HA 0.247 4.888 4.640 0.001 0.000 0.234 17 D C 1.535 177.929 176.300 0.157 0.000 1.132 17 D CA 1.526 55.639 54.000 0.189 0.000 0.860 17 D CB 0.514 41.419 40.800 0.174 0.000 1.159 17 D HN 0.473 nan 8.370 nan 0.000 0.490 18 G N 2.013 110.881 108.800 0.115 0.000 2.184 18 G HA2 -0.252 3.709 3.960 0.001 0.000 0.264 18 G HA3 -0.252 3.709 3.960 0.001 0.000 0.264 18 G C 0.301 175.209 174.900 0.013 0.000 0.975 18 G CA -0.251 44.896 45.100 0.079 0.000 0.642 18 G HN 0.477 nan 8.290 nan 0.000 0.536 19 I N 1.415 121.999 120.570 0.023 0.000 2.365 19 I HA 0.398 4.569 4.170 0.001 0.000 0.291 19 I C 0.461 176.491 176.117 -0.145 0.000 1.004 19 I CA -0.742 60.527 61.300 -0.052 0.000 1.311 19 I CB 1.142 39.176 38.000 0.057 0.000 1.401 19 I HN 0.172 nan 8.210 nan 0.000 0.491 20 E N 6.207 126.258 120.200 -0.249 0.000 2.179 20 E HA 0.532 4.882 4.350 0.001 0.000 0.275 20 E C -0.658 175.857 176.600 -0.141 0.000 0.945 20 E CA -0.793 55.474 56.400 -0.221 0.000 0.792 20 E CB 1.999 31.521 29.700 -0.296 0.000 1.125 20 E HN 0.396 nan 8.360 nan 0.000 0.397 21 R N 0.981 121.357 120.500 -0.206 0.000 2.599 21 R HA 0.387 4.728 4.340 0.001 0.000 0.295 21 R C 0.295 176.492 176.300 -0.171 0.000 0.963 21 R CA -0.306 55.608 56.100 -0.308 0.000 0.883 21 R CB 1.541 31.327 30.300 -0.857 0.000 1.171 21 R HN 0.604 nan 8.270 nan 0.000 0.450 22 A N 2.459 125.242 122.820 -0.062 0.000 2.016 22 A HA -0.054 4.266 4.320 0.001 0.000 0.217 22 A C 0.735 178.333 177.584 0.023 0.000 1.162 22 A CA 0.867 52.910 52.037 0.010 0.000 0.662 22 A CB -0.477 18.538 19.000 0.026 0.000 0.812 22 A HN 0.778 nan 8.150 nan 0.000 0.450 23 H N -0.529 118.556 119.070 0.025 0.000 2.530 23 H HA 0.586 5.142 4.556 0.001 0.000 0.342 23 H C -0.243 175.187 175.328 0.169 0.000 1.312 23 H CA 0.259 56.345 56.048 0.064 0.000 1.376 23 H CB 0.180 29.973 29.762 0.052 0.000 1.692 23 H HN 0.151 nan 8.280 nan 0.000 0.622 24 T N -4.097 110.620 114.554 0.272 0.000 2.949 24 T HA 0.545 4.896 4.350 0.001 0.000 0.287 24 T C 1.335 176.137 174.700 0.169 0.000 1.034 24 T CA -0.437 61.789 62.100 0.210 0.000 1.018 24 T CB 1.572 70.484 68.868 0.074 0.000 1.135 24 T HN 0.743 nan 8.240 nan 0.000 0.532 25 A N 0.415 123.060 122.820 -0.292 0.000 1.978 25 A HA -0.083 4.238 4.320 0.001 0.000 0.220 25 A C 2.044 179.541 177.584 -0.146 0.000 1.170 25 A CA 1.802 53.551 52.037 -0.480 0.000 0.636 25 A CB -1.043 17.536 19.000 -0.702 0.000 0.810 25 A HN 0.895 nan 8.150 nan 0.000 0.448 26 E N 0.367 120.519 120.200 -0.081 0.000 2.107 26 E HA -0.105 4.246 4.350 0.001 0.000 0.191 26 E C 1.517 178.120 176.600 0.005 0.000 0.982 26 E CA 1.136 57.515 56.400 -0.035 0.000 0.809 26 E CB -0.246 29.438 29.700 -0.027 0.000 0.756 26 E HN 0.544 nan 8.360 nan 0.000 0.459 27 D N -0.196 120.231 120.400 0.046 0.000 2.149 27 D HA -0.132 4.509 4.640 0.001 0.000 0.198 27 D C 1.887 178.214 176.300 0.044 0.000 0.990 27 D CA 0.850 54.884 54.000 0.056 0.000 0.839 27 D CB -0.169 40.700 40.800 0.115 0.000 0.948 27 D HN 0.055 nan 8.370 nan 0.000 0.460 28 V N 0.788 120.752 119.914 0.083 0.000 2.307 28 V HA -0.218 3.903 4.120 0.001 0.000 0.245 28 V C 2.321 178.439 176.094 0.039 0.000 1.045 28 V CA 1.507 63.851 62.300 0.073 0.000 1.024 28 V CB -0.350 31.552 31.823 0.131 0.000 0.651 28 V HN 0.138 nan 8.190 nan 0.000 0.449 29 K N -0.174 120.235 120.400 0.015 0.000 2.063 29 K HA -0.146 4.175 4.320 0.001 0.000 0.208 29 K C 2.384 178.991 176.600 0.012 0.000 1.048 29 K CA 1.413 57.705 56.287 0.007 0.000 0.928 29 K CB -0.223 32.269 32.500 -0.012 0.000 0.713 29 K HN 0.366 nan 8.250 nan 0.000 0.442 30 R N 0.364 120.869 120.500 0.008 0.000 2.115 30 R HA -0.015 4.326 4.340 0.001 0.000 0.230 30 R C 2.088 178.394 176.300 0.011 0.000 1.111 30 R CA 0.886 56.989 56.100 0.005 0.000 0.976 30 R CB -0.088 30.210 30.300 -0.002 0.000 0.870 30 R HN 0.192 nan 8.270 nan 0.000 0.445 31 L N -0.397 120.838 121.223 0.019 0.000 2.375 31 L HA 0.053 4.393 4.340 0.001 0.000 0.215 31 L C 2.553 179.464 176.870 0.068 0.000 1.108 31 L CA 0.392 55.255 54.840 0.039 0.000 0.830 31 L CB -0.167 41.917 42.059 0.043 0.000 0.959 31 L HN 0.106 nan 8.230 nan 0.000 0.457 32 R N 0.509 121.042 120.500 0.056 0.000 2.090 32 R HA 0.067 4.407 4.340 0.001 0.000 0.228 32 R C 0.887 177.218 176.300 0.052 0.000 1.110 32 R CA 0.895 57.032 56.100 0.061 0.000 0.973 32 R CB 0.128 30.460 30.300 0.054 0.000 0.869 32 R HN 0.325 nan 8.270 nan 0.000 0.440 33 G N -1.093 107.730 108.800 0.037 0.000 2.660 33 G HA2 -0.269 3.692 3.960 0.001 0.000 0.247 33 G HA3 -0.269 3.692 3.960 0.001 0.000 0.247 33 G C 0.195 175.108 174.900 0.022 0.000 1.328 33 G CA -0.030 45.087 45.100 0.029 0.000 0.884 33 G HN 0.316 nan 8.290 nan 0.000 0.531 34 S N -1.644 114.066 115.700 0.017 0.000 2.593 34 S HA 0.476 4.946 4.470 0.001 0.000 0.217 34 S C 0.720 175.326 174.600 0.010 0.000 0.966 34 S CA 0.966 59.173 58.200 0.011 0.000 0.914 34 S CB 0.522 63.727 63.200 0.007 0.000 0.776 34 S HN 1.343 nan 8.310 nan 0.000 0.523 35 V N 1.354 121.276 119.914 0.013 0.000 2.680 35 V HA 0.442 4.563 4.120 0.001 0.000 0.309 35 V C -0.592 175.508 176.094 0.010 0.000 1.052 35 V CA -0.857 61.447 62.300 0.007 0.000 0.908 35 V CB 2.031 33.855 31.823 0.002 0.000 1.001 35 V HN 0.325 nan 8.190 nan 0.000 0.431 36 E N 3.745 123.944 120.200 -0.003 0.000 2.063 36 E HA 0.471 4.821 4.350 0.001 0.000 0.265 36 E C -0.948 175.621 176.600 -0.051 0.000 0.919 36 E CA -0.361 56.037 56.400 -0.004 0.000 0.756 36 E CB 0.856 30.557 29.700 0.001 0.000 1.120 36 E HN 0.555 nan 8.360 nan 0.000 0.414 37 I N 4.281 124.803 120.570 -0.080 0.000 2.428 37 I HA 0.151 4.322 4.170 0.001 0.000 0.289 37 I C 0.410 176.264 176.117 -0.438 0.000 1.019 37 I CA -0.544 60.596 61.300 -0.266 0.000 1.351 37 I CB 0.779 38.587 38.000 -0.321 0.000 1.412 37 I HN 0.195 nan 8.210 nan 0.000 0.513 38 K N 5.946 126.089 120.400 -0.428 0.000 2.205 38 K HA 0.296 4.616 4.320 0.001 0.000 0.279 38 K C -1.155 175.117 176.600 -0.547 0.000 1.027 38 K CA -0.335 55.748 56.287 -0.341 0.000 0.932 38 K CB 0.940 33.339 32.500 -0.169 0.000 1.032 38 K HN 0.354 nan 8.250 nan 0.000 0.466 39 Y N 0.956 121.249 120.300 -0.011 0.000 2.837 39 Y HA 0.131 4.682 4.550 0.001 0.000 0.356 39 Y C 1.333 177.220 175.900 -0.022 0.000 1.035 39 Y CA -0.336 57.756 58.100 -0.014 0.000 1.165 39 Y CB 1.040 39.495 38.460 -0.009 0.000 1.147 39 Y HN 0.544 nan 8.280 nan 0.000 0.628 40 S N 0.844 116.566 115.700 0.037 0.000 2.356 40 S HA -0.154 4.316 4.470 0.001 0.000 0.223 40 S C 1.995 176.581 174.600 -0.024 0.000 1.032 40 S CA 1.335 59.527 58.200 -0.014 0.000 1.005 40 S CB -0.092 63.069 63.200 -0.065 0.000 0.867 40 S HN 0.656 nan 8.310 nan 0.000 0.449 41 L N 0.989 122.199 121.223 -0.022 0.000 2.093 41 L HA -0.081 4.260 4.340 0.001 0.000 0.208 41 L C 2.805 179.690 176.870 0.026 0.000 1.085 41 L CA 1.053 55.870 54.840 -0.039 0.000 0.755 41 L CB -0.720 41.334 42.059 -0.009 0.000 0.904 41 L HN 0.320 nan 8.230 nan 0.000 0.435 42 A N 0.171 123.030 122.820 0.064 0.000 1.883 42 A HA -0.238 4.083 4.320 0.001 0.000 0.217 42 A C 2.146 179.760 177.584 0.050 0.000 1.186 42 A CA 1.775 53.847 52.037 0.060 0.000 0.624 42 A CB -0.469 18.565 19.000 0.057 0.000 0.822 42 A HN 0.444 nan 8.150 nan 0.000 0.444 43 E N -0.721 119.513 120.200 0.058 0.000 2.058 43 E HA -0.211 4.139 4.350 0.001 0.000 0.194 43 E C 2.143 178.760 176.600 0.028 0.000 0.997 43 E CA 1.570 57.995 56.400 0.041 0.000 0.801 43 E CB -0.292 29.432 29.700 0.041 0.000 0.746 43 E HN 0.648 nan 8.360 nan 0.000 0.450 44 M N 0.147 119.755 119.600 0.014 0.000 2.086 44 M HA -0.124 4.357 4.480 0.001 0.000 0.261 44 M C 2.450 178.781 176.300 0.051 0.000 1.067 44 M CA 1.714 57.022 55.300 0.014 0.000 1.116 44 M CB -0.466 32.109 32.600 -0.042 0.000 1.348 44 M HN 0.228 nan 8.290 nan 0.000 0.407 45 G N -0.273 108.562 108.800 0.058 0.000 2.414 45 G HA2 -0.128 3.833 3.960 0.001 0.000 0.215 45 G HA3 -0.128 3.833 3.960 0.001 0.000 0.215 45 G C 1.605 176.548 174.900 0.073 0.000 1.188 45 G CA 0.960 46.108 45.100 0.079 0.000 0.783 45 G HN 0.537 nan 8.290 nan 0.000 0.537 46 A N 1.349 124.202 122.820 0.055 0.000 1.883 46 A HA -0.155 4.165 4.320 0.001 0.000 0.217 46 A C 2.289 179.933 177.584 0.100 0.000 1.186 46 A CA 2.084 54.155 52.037 0.056 0.000 0.624 46 A CB -0.550 18.460 19.000 0.017 0.000 0.822 46 A HN 0.356 nan 8.150 nan 0.000 0.444 47 N N -0.756 117.991 118.700 0.079 0.000 2.188 47 N HA -0.136 4.604 4.740 0.001 0.000 0.184 47 N C 1.828 177.440 175.510 0.170 0.000 1.018 47 N CA 1.474 54.592 53.050 0.114 0.000 0.858 47 N CB -0.416 38.109 38.487 0.064 0.000 0.989 47 N HN 0.665 nan 8.380 nan 0.000 0.426 48 R N 0.442 121.020 120.500 0.131 0.000 2.073 48 R HA -0.002 4.339 4.340 0.001 0.000 0.229 48 R C 2.055 178.440 176.300 0.141 0.000 1.120 48 R CA 0.687 56.862 56.100 0.126 0.000 0.967 48 R CB -0.365 30.000 30.300 0.109 0.000 0.862 48 R HN 0.078 nan 8.270 nan 0.000 0.436 49 L N 0.311 121.621 121.223 0.145 0.000 2.046 49 L HA -0.163 4.178 4.340 0.001 0.000 0.208 49 L C 1.989 178.980 176.870 0.203 0.000 1.077 49 L CA 1.810 56.731 54.840 0.135 0.000 0.747 49 L CB -0.834 41.270 42.059 0.075 0.000 0.896 49 L HN 0.382 nan 8.230 nan 0.000 0.432 50 W N 0.827 122.163 121.300 0.061 0.000 2.318 50 W HA -0.315 4.345 4.660 0.001 0.000 0.313 50 W C 2.487 179.127 176.519 0.202 0.000 1.221 50 W CA 2.250 59.670 57.345 0.126 0.000 1.266 50 W CB -0.126 29.358 29.460 0.040 0.000 1.150 50 W HN 0.259 nan 8.180 nan 0.000 0.496 51 K N 0.390 120.925 120.400 0.225 0.000 2.009 51 K HA -0.236 4.085 4.320 0.001 0.000 0.210 51 K C 2.274 178.903 176.600 0.048 0.000 1.049 51 K CA 1.932 58.278 56.287 0.098 0.000 0.929 51 K CB -0.730 31.836 32.500 0.111 0.000 0.714 51 K HN 0.215 nan 8.250 nan 0.000 0.440 52 L N 1.312 122.572 121.223 0.061 0.000 2.012 52 L HA -0.219 4.122 4.340 0.001 0.000 0.210 52 L C 2.462 179.330 176.870 -0.004 0.000 1.073 52 L CA 1.484 56.344 54.840 0.034 0.000 0.748 52 L CB -0.587 41.510 42.059 0.063 0.000 0.891 52 L HN 0.388 nan 8.230 nan 0.000 0.431 53 I N -3.999 116.550 120.570 -0.035 0.000 2.676 53 I HA -0.195 3.975 4.170 0.001 0.000 0.259 53 I C 2.069 177.982 176.117 -0.341 0.000 1.194 53 I CA 1.324 62.540 61.300 -0.139 0.000 1.473 53 I CB -0.599 37.312 38.000 -0.149 0.000 1.096 53 I HN 0.302 nan 8.210 nan 0.000 0.443 54 H N 1.094 120.021 119.070 -0.239 0.000 2.563 54 H HA 0.197 4.754 4.556 0.001 0.000 0.264 54 H C 1.118 176.364 175.328 -0.137 0.000 0.957 54 H CA 0.762 56.663 56.048 -0.245 0.000 1.173 54 H CB 0.685 30.213 29.762 -0.390 0.000 1.420 54 H HN 0.603 nan 8.280 nan 0.000 0.551 55 E N 0.324 120.515 120.200 -0.014 0.000 2.364 55 E HA 0.022 4.373 4.350 0.001 0.000 0.203 55 E C 0.092 176.673 176.600 -0.032 0.000 0.888 55 E CA -0.039 56.352 56.400 -0.015 0.000 0.989 55 E CB 0.912 30.609 29.700 -0.005 0.000 0.985 55 E HN 0.104 nan 8.360 nan 0.000 0.499 56 E N 1.190 121.363 120.200 -0.044 0.000 2.313 56 E HA 0.023 4.374 4.350 0.001 0.000 0.272 56 E C 0.187 176.756 176.600 -0.051 0.000 1.038 56 E CA -0.063 56.294 56.400 -0.072 0.000 0.863 56 E CB 0.809 30.447 29.700 -0.103 0.000 1.060 56 E HN -0.037 nan 8.360 nan 0.000 0.402 57 D N 1.519 121.880 120.400 -0.065 0.000 2.149 57 D HA -0.128 4.512 4.640 0.001 0.000 0.194 57 D C 0.411 176.841 176.300 0.216 0.000 1.001 57 D CA 1.624 55.653 54.000 0.048 0.000 0.849 57 D CB -0.182 40.653 40.800 0.058 0.000 0.939 57 D HN 0.416 nan 8.370 nan 0.000 0.449 58 F N -3.674 116.269 119.950 -0.012 0.000 2.770 58 F HA 0.478 5.005 4.527 0.000 0.000 0.313 58 F C -1.598 174.212 175.800 0.016 0.000 1.154 58 F CA -1.446 56.556 58.000 0.004 0.000 0.923 58 F CB 1.133 40.129 39.000 -0.006 0.000 1.301 58 F HN -0.376 nan 8.300 nan 0.000 0.449 59 V N 3.160 123.181 119.914 0.178 0.000 2.357 59 V HA 0.421 4.542 4.120 0.001 0.000 0.284 59 V C -0.980 175.190 176.094 0.128 0.000 1.018 59 V CA -0.645 61.723 62.300 0.114 0.000 0.841 59 V CB 1.289 33.268 31.823 0.260 0.000 0.991 59 V HN 0.813 nan 8.190 nan 0.000 0.437 60 N N 4.064 122.806 118.700 0.071 0.000 2.362 60 N HA 0.825 5.565 4.740 0.001 0.000 0.298 60 N C -0.689 174.804 175.510 -0.029 0.000 1.048 60 N CA -0.512 52.551 53.050 0.022 0.000 0.858 60 N CB 2.455 41.047 38.487 0.176 0.000 1.218 60 N HN 0.683 nan 8.380 nan 0.000 0.488 61 A N 1.478 124.238 122.820 -0.100 0.000 2.485 61 A HA 0.806 5.127 4.320 0.001 0.000 0.292 61 A C -1.103 176.520 177.584 0.066 0.000 1.147 61 A CA -0.792 51.260 52.037 0.025 0.000 0.750 61 A CB 1.217 20.282 19.000 0.109 0.000 1.331 61 A HN 0.610 nan 8.150 nan 0.000 0.419 62 L N 0.550 121.855 121.223 0.137 0.000 2.354 62 L HA 0.612 4.953 4.340 0.001 0.000 0.269 62 L C 0.766 177.794 176.870 0.262 0.000 1.005 62 L CA -1.005 53.929 54.840 0.157 0.000 0.819 62 L CB 2.159 44.287 42.059 0.115 0.000 1.311 62 L HN 0.899 nan 8.230 nan 0.000 0.423 63 G N 1.460 110.455 108.800 0.325 0.000 2.356 63 G HA2 0.439 4.400 3.960 0.001 0.000 0.273 63 G HA3 0.439 4.400 3.960 0.001 0.000 0.273 63 G C -0.043 175.004 174.900 0.244 0.000 1.213 63 G CA -0.113 45.227 45.100 0.401 0.000 0.955 63 G HN 0.697 nan 8.290 nan 0.000 0.454 64 A N 2.763 125.693 122.820 0.182 0.000 2.327 64 A HA 0.594 4.915 4.320 0.001 0.000 0.283 64 A C 0.986 178.641 177.584 0.117 0.000 1.127 64 A CA -0.638 51.481 52.037 0.136 0.000 0.810 64 A CB 0.852 19.918 19.000 0.110 0.000 1.066 64 A HN 0.711 nan 8.150 nan 0.000 0.492 65 L N 1.385 122.679 121.223 0.119 0.000 2.590 65 L HA 0.166 4.507 4.340 0.001 0.000 0.227 65 L C 0.709 177.627 176.870 0.080 0.000 1.099 65 L CA 0.712 55.617 54.840 0.109 0.000 0.872 65 L CB 0.076 42.218 42.059 0.137 0.000 1.088 65 L HN 0.874 nan 8.230 nan 0.000 0.479 66 S N -2.855 112.888 115.700 0.073 0.000 2.588 66 S HA 0.424 4.894 4.470 0.001 0.000 0.269 66 S C 0.659 175.291 174.600 0.053 0.000 1.157 66 S CA -0.164 58.069 58.200 0.056 0.000 0.824 66 S CB 1.249 64.480 63.200 0.051 0.000 1.126 66 S HN 0.041 nan 8.310 nan 0.000 0.464 67 G N 1.662 110.486 108.800 0.039 0.000 2.469 67 G HA2 -0.240 3.721 3.960 0.001 0.000 0.219 67 G HA3 -0.240 3.721 3.960 0.001 0.000 0.219 67 G C 1.099 176.017 174.900 0.030 0.000 1.150 67 G CA 1.057 46.175 45.100 0.031 0.000 0.763 67 G HN 0.710 nan 8.290 nan 0.000 0.561 68 N N 0.370 119.087 118.700 0.029 0.000 2.084 68 N HA -0.081 4.659 4.740 0.001 0.000 0.190 68 N C 2.401 177.949 175.510 0.063 0.000 1.030 68 N CA 1.011 54.081 53.050 0.034 0.000 0.849 68 N CB -0.414 38.092 38.487 0.031 0.000 1.012 68 N HN 0.469 nan 8.380 nan 0.000 0.423 69 Q N 0.524 120.368 119.800 0.072 0.000 2.077 69 Q HA -0.105 4.236 4.340 0.001 0.000 0.206 69 Q C 2.076 178.135 176.000 0.099 0.000 0.989 69 Q CA 1.720 57.577 55.803 0.090 0.000 0.853 69 Q CB -0.199 28.595 28.738 0.094 0.000 0.907 69 Q HN 0.396 nan 8.270 nan 0.000 0.418 70 A N 0.980 123.856 122.820 0.093 0.000 1.908 70 A HA -0.227 4.094 4.320 0.001 0.000 0.218 70 A C 2.018 179.675 177.584 0.121 0.000 1.181 70 A CA 1.633 53.731 52.037 0.103 0.000 0.627 70 A CB -0.623 18.432 19.000 0.091 0.000 0.818 70 A HN 0.459 nan 8.150 nan 0.000 0.445 71 M N -1.034 118.633 119.600 0.112 0.000 2.117 71 M HA -0.204 4.277 4.480 0.001 0.000 0.262 71 M C 2.072 178.502 176.300 0.216 0.000 1.065 71 M CA 1.710 57.106 55.300 0.161 0.000 1.114 71 M CB -0.238 32.386 32.600 0.041 0.000 1.361 71 M HN 0.351 nan 8.290 nan 0.000 0.408 72 Q N 0.176 120.068 119.800 0.154 0.000 2.124 72 Q HA -0.155 4.186 4.340 0.001 0.000 0.202 72 Q C 1.951 178.033 176.000 0.137 0.000 0.977 72 Q CA 1.800 57.700 55.803 0.160 0.000 0.850 72 Q CB -0.608 28.224 28.738 0.156 0.000 0.901 72 Q HN 0.656 nan 8.270 nan 0.000 0.429 73 M N -0.337 119.335 119.600 0.120 0.000 2.080 73 M HA -0.167 4.313 4.480 0.001 0.000 0.260 73 M C 2.262 178.602 176.300 0.068 0.000 1.068 73 M CA 1.303 56.659 55.300 0.093 0.000 1.109 73 M CB -0.392 32.267 32.600 0.099 0.000 1.342 73 M HN -0.025 nan 8.290 nan 0.000 0.405 74 V N -0.053 119.911 119.914 0.084 0.000 2.358 74 V HA -0.246 3.875 4.120 0.001 0.000 0.246 74 V C 2.347 178.376 176.094 -0.108 0.000 1.047 74 V CA 2.009 64.306 62.300 -0.004 0.000 1.035 74 V CB -0.827 31.027 31.823 0.053 0.000 0.658 74 V HN 0.428 nan 8.190 nan 0.000 0.452 75 R N 1.331 121.850 120.500 0.031 0.000 2.113 75 R HA -0.202 4.139 4.340 0.001 0.000 0.244 75 R C 2.051 178.348 176.300 -0.004 0.000 1.142 75 R CA 2.162 58.281 56.100 0.031 0.000 0.953 75 R CB -0.782 29.648 30.300 0.216 0.000 0.860 75 R HN 0.455 nan 8.270 nan 0.000 0.438 76 A N -1.417 121.425 122.820 0.035 0.000 2.168 76 A HA 0.203 4.524 4.320 0.001 0.000 0.215 76 A C 1.516 179.092 177.584 -0.013 0.000 1.152 76 A CA 1.028 53.081 52.037 0.028 0.000 0.716 76 A CB -0.401 18.628 19.000 0.048 0.000 0.794 76 A HN 0.717 nan 8.150 nan 0.000 0.465 77 G N -1.902 106.870 108.800 -0.046 0.000 2.168 77 G HA2 -0.151 3.809 3.960 0.001 0.000 0.197 77 G HA3 -0.151 3.809 3.960 0.001 0.000 0.197 77 G C 0.062 174.932 174.900 -0.050 0.000 0.997 77 G CA -0.038 45.023 45.100 -0.066 0.000 0.658 77 G HN 0.363 nan 8.290 nan 0.000 0.513 78 L N 0.326 121.535 121.223 -0.023 0.000 2.452 78 L HA 0.374 4.715 4.340 0.001 0.000 0.267 78 L C 1.521 178.392 176.870 0.002 0.000 1.188 78 L CA -0.280 54.558 54.840 -0.002 0.000 0.821 78 L CB 0.585 42.662 42.059 0.031 0.000 1.102 78 L HN -0.076 nan 8.230 nan 0.000 0.470 79 K N 1.401 121.815 120.400 0.023 0.000 2.355 79 K HA 0.402 4.723 4.320 0.001 0.000 0.198 79 K C -0.115 176.542 176.600 0.095 0.000 1.039 79 K CA 0.154 56.461 56.287 0.034 0.000 1.075 79 K CB 1.189 33.699 32.500 0.018 0.000 0.870 79 K HN 0.671 nan 8.250 nan 0.000 0.540 80 A N 0.858 123.760 122.820 0.138 0.000 2.610 80 A HA 0.735 5.056 4.320 0.001 0.000 0.291 80 A C -1.448 176.266 177.584 0.217 0.000 1.086 80 A CA -0.708 51.456 52.037 0.212 0.000 0.677 80 A CB 1.175 20.401 19.000 0.376 0.000 1.278 80 A HN 0.070 nan 8.150 nan 0.000 0.414 81 I N 0.681 121.389 120.570 0.230 0.000 2.545 81 I HA 0.433 4.604 4.170 0.001 0.000 0.292 81 I C -1.036 175.238 176.117 0.263 0.000 1.040 81 I CA -0.553 60.872 61.300 0.209 0.000 1.068 81 I CB 2.030 40.114 38.000 0.139 0.000 1.251 81 I HN 0.738 nan 8.210 nan 0.000 0.424 82 Y N 7.164 127.548 120.300 0.140 0.000 2.420 82 Y HA 0.806 5.356 4.550 0.001 0.000 0.334 82 Y C -1.211 174.726 175.900 0.061 0.000 1.094 82 Y CA -0.948 57.204 58.100 0.087 0.000 1.126 82 Y CB 1.629 40.112 38.460 0.037 0.000 1.217 82 Y HN 0.460 nan 8.280 nan 0.000 0.462 83 L N 3.289 123.977 121.223 -0.892 0.000 2.472 83 L HA 0.908 5.249 4.340 0.001 0.000 0.260 83 L C -1.286 175.141 176.870 -0.739 0.000 0.963 83 L CA -0.420 54.081 54.840 -0.565 0.000 0.829 83 L CB 1.908 43.837 42.059 -0.217 0.000 1.348 83 L HN 0.630 nan 8.230 nan 0.000 0.408 109 A N 0.764 123.539 122.820 -0.075 0.000 1.930 109 A HA 0.157 4.477 4.320 0.001 0.000 0.217 109 A C 2.045 179.595 177.584 -0.056 0.000 1.175 109 A CA 2.165 54.172 52.037 -0.050 0.000 0.627 109 A CB -0.955 18.033 19.000 -0.019 0.000 0.815 109 A HN 0.344 nan 8.150 nan 0.000 0.443 110 G N 0.460 109.221 108.800 -0.065 0.000 2.480 110 G HA2 -0.181 3.779 3.960 0.001 0.000 0.216 110 G HA3 -0.181 3.779 3.960 0.001 0.000 0.216 110 G C -0.245 174.593 174.900 -0.103 0.000 1.200 110 G CA 1.356 46.453 45.100 -0.004 0.000 0.782 110 G HN 0.491 nan 8.290 nan 0.000 0.554 111 P HA -0.035 nan 4.420 nan 0.000 0.216 111 P C 1.532 178.729 177.300 -0.171 0.000 1.150 111 P CA 1.375 64.171 63.100 -0.507 0.000 0.837 111 P CB 0.095 31.407 31.700 -0.646 0.000 0.786 112 E N -0.561 119.561 120.200 -0.131 0.000 2.051 112 E HA -0.142 4.209 4.350 0.001 0.000 0.192 112 E C 1.917 178.505 176.600 -0.020 0.000 0.991 112 E CA 0.804 57.168 56.400 -0.060 0.000 0.799 112 E CB -1.152 28.518 29.700 -0.049 0.000 0.748 112 E HN 0.066 nan 8.360 nan 0.000 0.449 113 L N -0.214 121.004 121.223 -0.009 0.000 2.046 113 L HA -0.178 4.163 4.340 0.001 0.000 0.208 113 L C 2.126 179.020 176.870 0.039 0.000 1.077 113 L CA 1.706 56.558 54.840 0.020 0.000 0.747 113 L CB -0.682 41.393 42.059 0.026 0.000 0.896 113 L HN 0.227 nan 8.230 nan 0.000 0.432 114 A N 0.046 122.903 122.820 0.061 0.000 1.908 114 A HA -0.300 4.021 4.320 0.001 0.000 0.218 114 A C 2.356 179.981 177.584 0.069 0.000 1.181 114 A CA 2.131 54.221 52.037 0.090 0.000 0.627 114 A CB -0.501 18.609 19.000 0.182 0.000 0.818 114 A HN 0.453 nan 8.150 nan 0.000 0.445 115 K N -0.565 119.860 120.400 0.042 0.000 2.057 115 K HA -0.135 4.186 4.320 0.001 0.000 0.207 115 K C 2.322 178.948 176.600 0.043 0.000 1.049 115 K CA 1.348 57.659 56.287 0.040 0.000 0.931 115 K CB -0.178 32.331 32.500 0.015 0.000 0.714 115 K HN 0.427 nan 8.250 nan 0.000 0.440 116 R N 0.360 120.880 120.500 0.032 0.000 2.073 116 R HA -0.095 4.246 4.340 0.001 0.000 0.234 116 R C 2.389 178.709 176.300 0.034 0.000 1.134 116 R CA 1.787 57.904 56.100 0.029 0.000 0.952 116 R CB -0.449 29.865 30.300 0.023 0.000 0.850 116 R HN 0.266 nan 8.270 nan 0.000 0.433 117 I N 1.309 121.906 120.570 0.044 0.000 2.151 117 I HA -0.338 3.832 4.170 0.001 0.000 0.243 117 I C 1.964 178.117 176.117 0.060 0.000 1.080 117 I CA 1.248 62.578 61.300 0.051 0.000 1.339 117 I CB -0.419 37.620 38.000 0.064 0.000 1.039 117 I HN 0.188 nan 8.210 nan 0.000 0.409 118 N N 0.794 119.548 118.700 0.089 0.000 2.166 118 N HA -0.136 4.605 4.740 0.001 0.000 0.186 118 N C 1.904 177.484 175.510 0.115 0.000 1.019 118 N CA 1.147 54.281 53.050 0.141 0.000 0.856 118 N CB -0.249 38.338 38.487 0.166 0.000 0.993 118 N HN 0.350 nan 8.380 nan 0.000 0.426 119 R N -0.051 120.488 120.500 0.066 0.000 2.091 119 R HA -0.039 4.302 4.340 0.001 0.000 0.238 119 R C 1.945 178.230 176.300 -0.024 0.000 1.136 119 R CA 1.550 57.669 56.100 0.032 0.000 0.959 119 R CB -0.521 29.793 30.300 0.023 0.000 0.856 119 R HN 0.235 nan 8.270 nan 0.000 0.437 120 T N 1.657 116.190 114.554 -0.035 0.000 2.777 120 T HA -0.041 4.309 4.350 0.001 0.000 0.266 120 T C 1.942 176.530 174.700 -0.186 0.000 1.040 120 T CA 0.884 62.928 62.100 -0.093 0.000 1.141 120 T CB -0.112 68.723 68.868 -0.056 0.000 0.868 120 T HN 0.121 nan 8.240 nan 0.000 0.444 121 L N 0.744 121.878 121.223 -0.147 0.000 2.046 121 L HA -0.154 4.187 4.340 0.001 0.000 0.208 121 L C 2.941 179.533 176.870 -0.463 0.000 1.077 121 L CA 1.408 56.078 54.840 -0.282 0.000 0.747 121 L CB -0.637 41.310 42.059 -0.186 0.000 0.896 121 L HN 0.307 nan 8.230 nan 0.000 0.432 122 Q N -0.399 119.292 119.800 -0.181 0.000 2.061 122 Q HA -0.273 4.067 4.340 0.001 0.000 0.204 122 Q C 2.319 178.177 176.000 -0.236 0.000 0.984 122 Q CA 1.690 57.477 55.803 -0.026 0.000 0.846 122 Q CB -0.149 28.675 28.738 0.144 0.000 0.902 122 Q HN 0.247 nan 8.270 nan 0.000 0.421 123 R N 0.826 121.152 120.500 -0.291 0.000 2.083 123 R HA -0.161 4.179 4.340 0.001 0.000 0.237 123 R C 2.038 178.026 176.300 -0.520 0.000 1.137 123 R CA 1.750 57.611 56.100 -0.399 0.000 0.951 123 R CB -0.771 29.351 30.300 -0.297 0.000 0.851 123 R HN 0.270 nan 8.270 nan 0.000 0.434 124 A N 0.189 122.610 122.820 -0.666 0.000 1.917 124 A HA -0.259 4.061 4.320 0.001 0.000 0.219 124 A C 2.019 178.940 177.584 -1.105 0.000 1.182 124 A CA 2.180 53.587 52.037 -1.050 0.000 0.633 124 A CB -1.049 16.895 19.000 -1.760 0.000 0.819 124 A HN 0.611 nan 8.150 nan 0.000 0.448 125 D N -1.223 118.590 120.400 -0.978 0.000 2.097 125 D HA -0.181 4.459 4.640 0.001 0.000 0.195 125 D C 2.129 178.306 176.300 -0.204 0.000 0.989 125 D CA 1.706 55.447 54.000 -0.432 0.000 0.827 125 D CB -0.170 40.543 40.800 -0.146 0.000 0.966 125 D HN 0.586 nan 8.370 nan 0.000 0.456 126 Q N -0.363 119.270 119.800 -0.279 0.000 2.084 126 Q HA -0.103 4.238 4.340 0.001 0.000 0.202 126 Q C 2.399 178.272 176.000 -0.212 0.000 0.978 126 Q CA 1.196 56.835 55.803 -0.273 0.000 0.844 126 Q CB -0.053 28.326 28.738 -0.598 0.000 0.898 126 Q HN 0.444 nan 8.270 nan 0.000 0.426 127 I N 0.697 121.086 120.570 -0.303 0.000 2.127 127 I HA -0.308 3.863 4.170 0.001 0.000 0.241 127 I C 2.067 178.162 176.117 -0.038 0.000 1.075 127 I CA 1.452 62.671 61.300 -0.135 0.000 1.334 127 I CB -0.237 37.651 38.000 -0.187 0.000 1.040 127 I HN 0.234 nan 8.210 nan 0.000 0.405 128 E N -0.042 120.125 120.200 -0.055 0.000 2.150 128 E HA -0.164 4.187 4.350 0.001 0.000 0.193 128 E C 2.133 178.775 176.600 0.070 0.000 0.985 128 E CA 1.599 58.028 56.400 0.050 0.000 0.814 128 E CB -0.099 29.699 29.700 0.162 0.000 0.752 128 E HN 0.488 nan 8.360 nan 0.000 0.466 129 T N 0.854 115.446 114.554 0.063 0.000 2.746 129 T HA -0.140 4.211 4.350 0.001 0.000 0.267 129 T C 2.000 176.743 174.700 0.071 0.000 1.039 129 T CA 1.235 63.380 62.100 0.076 0.000 1.142 129 T CB -0.167 68.749 68.868 0.080 0.000 0.866 129 T HN 0.236 nan 8.240 nan 0.000 0.444 130 A N 1.505 124.377 122.820 0.088 0.000 2.015 130 A HA -0.089 4.231 4.320 0.001 0.000 0.219 130 A C 2.064 179.677 177.584 0.049 0.000 1.163 130 A CA 1.247 53.333 52.037 0.082 0.000 0.646 130 A CB -0.430 18.658 19.000 0.147 0.000 0.806 130 A HN 0.575 nan 8.150 nan 0.000 0.448 131 E N -1.189 119.041 120.200 0.050 0.000 2.427 131 E HA 0.141 4.492 4.350 0.001 0.000 0.196 131 E C 1.274 177.896 176.600 0.037 0.000 1.028 131 E CA 0.236 56.659 56.400 0.039 0.000 0.864 131 E CB -0.248 29.475 29.700 0.040 0.000 0.813 131 E HN 0.716 nan 8.360 nan 0.000 0.514 132 G N 2.061 110.887 108.800 0.042 0.000 2.212 132 G HA2 -0.359 3.602 3.960 0.001 0.000 0.267 132 G HA3 -0.359 3.602 3.960 0.001 0.000 0.267 132 G C 0.762 175.684 174.900 0.037 0.000 1.002 132 G CA 0.979 46.102 45.100 0.038 0.000 0.729 132 G HN 0.279 nan 8.290 nan 0.000 0.517 133 K N 0.079 120.504 120.400 0.042 0.000 2.374 133 K HA 0.440 4.760 4.320 0.001 0.000 0.196 133 K C 1.375 178.000 176.600 0.043 0.000 1.023 133 K CA 0.347 56.657 56.287 0.038 0.000 1.103 133 K CB 0.445 32.968 32.500 0.038 0.000 0.848 133 K HN 1.390 nan 8.250 nan 0.000 0.528 134 G N 1.468 110.299 108.800 0.052 0.000 2.746 134 G HA2 -0.231 3.730 3.960 0.001 0.000 0.685 134 G HA3 -0.231 3.730 3.960 0.001 0.000 0.685 134 G C -0.662 174.285 174.900 0.079 0.000 1.350 134 G CA -1.028 44.106 45.100 0.057 0.000 0.837 134 G HN 0.081 nan 8.290 nan 0.000 0.564 135 L N 0.399 121.672 121.223 0.083 0.000 2.395 135 L HA 0.478 4.819 4.340 0.001 0.000 0.269 135 L C 1.935 178.822 176.870 0.029 0.000 1.133 135 L CA 0.000 54.906 54.840 0.110 0.000 0.812 135 L CB 1.520 43.632 42.059 0.087 0.000 1.125 135 L HN 0.971 nan 8.230 nan 0.000 0.452 136 S N 0.467 116.186 115.700 0.033 0.000 2.650 136 S HA 0.185 4.656 4.470 0.001 0.000 0.219 136 S C 0.203 174.685 174.600 -0.197 0.000 0.960 136 S CA -0.223 57.953 58.200 -0.041 0.000 0.925 136 S CB -0.511 62.713 63.200 0.041 0.000 0.775 136 S HN 0.461 nan 8.310 nan 0.000 0.525 137 V N -3.047 116.665 119.914 -0.337 0.000 3.160 137 V HA 0.544 4.665 4.120 0.001 0.000 0.310 137 V C 0.211 176.130 176.094 -0.292 0.000 1.181 137 V CA -0.922 61.118 62.300 -0.433 0.000 1.047 137 V CB 1.055 32.352 31.823 -0.878 0.000 1.068 137 V HN -0.046 nan 8.190 nan 0.000 0.441 138 D N 0.752 121.019 120.400 -0.222 0.000 2.092 138 D HA 0.021 4.662 4.640 0.001 0.000 0.193 138 D C 0.903 177.134 176.300 -0.115 0.000 0.994 138 D CA 2.585 56.508 54.000 -0.128 0.000 0.828 138 D CB 0.191 40.938 40.800 -0.089 0.000 0.963 138 D HN 0.922 nan 8.370 nan 0.000 0.450 139 T N -2.692 111.759 114.554 -0.172 0.000 2.885 139 T HA 0.214 4.565 4.350 0.001 0.000 0.322 139 T C -0.738 173.812 174.700 -0.250 0.000 1.387 139 T CA -0.686 61.353 62.100 -0.101 0.000 1.041 139 T CB 0.053 68.977 68.868 0.093 0.000 1.287 139 T HN 0.031 nan 8.240 nan 0.000 0.491 140 W N 1.633 122.853 121.300 -0.134 0.000 2.584 140 W HA 0.267 4.928 4.660 0.000 0.000 0.264 140 W C 0.495 176.757 176.519 -0.428 0.000 1.264 140 W CA -0.382 56.749 57.345 -0.357 0.000 1.306 140 W CB 0.099 29.207 29.460 -0.587 0.000 1.110 140 W HN 0.530 nan 8.180 nan 0.000 0.606 141 F N 1.247 121.322 119.950 0.207 0.000 2.669 141 F HA 0.385 4.913 4.527 0.002 0.000 0.353 141 F C 0.957 176.816 175.800 0.098 0.000 1.192 141 F CA -1.105 56.981 58.000 0.143 0.000 1.317 141 F CB -1.109 37.959 39.000 0.114 0.000 1.652 141 F HN -0.282 nan 8.300 nan 0.000 0.608 142 A N 2.858 125.779 122.820 0.170 0.000 2.546 142 A HA 0.266 4.587 4.320 0.001 0.000 0.243 142 A C -2.003 175.673 177.584 0.154 0.000 1.063 142 A CA -1.221 50.897 52.037 0.134 0.000 0.757 142 A CB -0.483 18.577 19.000 0.100 0.000 0.991 142 A HN 0.222 nan 8.150 nan 0.000 0.503 143 P HA 0.092 nan 4.420 nan 0.000 0.264 143 P C -0.638 176.717 177.300 0.092 0.000 1.183 143 P CA 0.649 63.811 63.100 0.104 0.000 0.763 143 P CB 0.271 32.019 31.700 0.079 0.000 0.807 144 I N 3.062 123.665 120.570 0.055 0.000 2.336 144 I HA 0.207 4.378 4.170 0.001 0.000 0.292 144 I C 0.096 176.166 176.117 -0.078 0.000 0.991 144 I CA -0.812 60.500 61.300 0.020 0.000 1.227 144 I CB 1.529 39.543 38.000 0.022 0.000 1.366 144 I HN -0.002 nan 8.210 nan 0.000 0.466 145 V N 6.187 126.042 119.914 -0.098 0.000 2.398 145 V HA 0.733 4.853 4.120 0.001 0.000 0.286 145 V C 0.206 176.101 176.094 -0.332 0.000 1.026 145 V CA -0.400 61.769 62.300 -0.218 0.000 0.868 145 V CB 1.349 32.988 31.823 -0.307 0.000 0.982 145 V HN 0.833 nan 8.190 nan 0.000 0.443 146 A N 3.249 125.759 122.820 -0.517 0.000 2.380 146 A HA 0.724 5.044 4.320 0.001 0.000 0.315 146 A C -0.850 176.184 177.584 -0.917 0.000 1.101 146 A CA -0.609 50.976 52.037 -0.753 0.000 0.771 146 A CB 1.486 19.866 19.000 -1.034 0.000 1.287 146 A HN 0.722 nan 8.150 nan 0.000 0.436 147 D N 1.586 121.485 120.400 -0.835 0.000 2.295 147 D HA 0.457 5.098 4.640 0.001 0.000 0.248 147 D C 0.442 176.411 176.300 -0.551 0.000 1.154 147 D CA 0.269 53.686 54.000 -0.972 0.000 0.857 147 D CB 1.391 41.989 40.800 -0.336 0.000 1.117 147 D HN 0.532 nan 8.370 nan 0.000 0.468 148 A N 4.549 126.989 122.820 -0.634 0.000 2.929 148 A HA 0.111 4.431 4.320 0.001 0.000 0.279 148 A C 0.782 178.300 177.584 -0.111 0.000 1.418 148 A CA -0.455 51.394 52.037 -0.313 0.000 1.035 148 A CB -0.377 18.214 19.000 -0.681 0.000 1.047 148 A HN 0.578 nan 8.150 nan 0.000 0.609 154 D N 0.258 120.691 120.400 0.054 0.000 2.837 154 D HA 0.728 5.369 4.640 0.001 0.000 0.294 154 D C -1.917 174.404 176.300 0.035 0.000 1.158 154 D CA -0.122 53.902 54.000 0.040 0.000 1.073 154 D CB 0.454 nan 40.800 nan 0.000 1.419 154 D HN 0.041 nan 8.370 nan 0.000 0.584 155 P HA 0.006 nan 4.420 nan 0.000 0.221 155 P C 1.665 178.974 177.300 0.016 0.000 1.150 155 P CA 0.814 63.903 63.100 -0.020 0.000 0.800 155 P CB 0.207 31.872 31.700 -0.058 0.000 0.787 156 L N -0.213 121.019 121.223 0.015 0.000 2.093 156 L HA -0.114 4.227 4.340 0.001 0.000 0.208 156 L C 2.153 179.103 176.870 0.133 0.000 1.085 156 L CA 1.459 56.326 54.840 0.046 0.000 0.755 156 L CB -1.051 41.007 42.059 -0.003 0.000 0.904 156 L HN -0.059 nan 8.230 nan 0.000 0.435 157 D N 0.631 121.090 120.400 0.097 0.000 2.117 157 D HA -0.153 4.487 4.640 0.001 0.000 0.197 157 D C 2.247 178.635 176.300 0.147 0.000 0.987 157 D CA 1.502 55.567 54.000 0.108 0.000 0.829 157 D CB -0.023 40.829 40.800 0.086 0.000 0.961 157 D HN 0.292 nan 8.370 nan 0.000 0.460 158 A N 0.489 123.399 122.820 0.150 0.000 1.902 158 A HA -0.163 4.158 4.320 0.001 0.000 0.217 158 A C 2.105 179.786 177.584 0.161 0.000 1.181 158 A CA 0.973 53.120 52.037 0.184 0.000 0.623 158 A CB -1.012 17.988 19.000 -0.001 0.000 0.818 158 A HN 0.235 nan 8.150 nan 0.000 0.443 159 F N 0.913 120.847 119.950 -0.025 0.000 2.069 159 F HA -0.192 4.336 4.527 0.001 0.000 0.298 159 F C 2.305 178.104 175.800 -0.001 0.000 1.113 159 F CA 2.285 60.261 58.000 -0.039 0.000 1.214 159 F CB -0.045 38.918 39.000 -0.063 0.000 0.978 159 F HN 0.211 nan 8.300 nan 0.000 0.474 160 E N 0.058 120.310 120.200 0.087 0.000 2.107 160 E HA -0.165 4.185 4.350 0.001 0.000 0.191 160 E C 2.242 178.804 176.600 -0.063 0.000 0.982 160 E CA 1.026 57.411 56.400 -0.025 0.000 0.809 160 E CB -0.617 29.130 29.700 0.078 0.000 0.756 160 E HN 0.464 nan 8.360 nan 0.000 0.459 161 I N 0.790 121.377 120.570 0.029 0.000 2.315 161 I HA -0.205 3.966 4.170 0.001 0.000 0.248 161 I C 2.231 178.413 176.117 0.108 0.000 1.117 161 I CA 0.870 62.198 61.300 0.046 0.000 1.404 161 I CB -0.186 37.892 38.000 0.129 0.000 1.071 161 I HN 0.016 nan 8.210 nan 0.000 0.419 162 M N 0.401 120.084 119.600 0.138 0.000 2.117 162 M HA -0.197 4.284 4.480 0.001 0.000 0.262 162 M C 2.136 178.405 176.300 -0.053 0.000 1.065 162 M CA 1.826 57.205 55.300 0.131 0.000 1.114 162 M CB -0.523 32.139 32.600 0.103 0.000 1.361 162 M HN 0.041 nan 8.290 nan 0.000 0.408 163 K N -0.375 119.895 120.400 -0.217 0.000 2.032 163 K HA -0.141 4.180 4.320 0.001 0.000 0.209 163 K C 1.997 178.467 176.600 -0.217 0.000 1.048 163 K CA 1.586 57.699 56.287 -0.290 0.000 0.927 163 K CB -0.495 31.782 32.500 -0.372 0.000 0.712 163 K HN 0.477 nan 8.250 nan 0.000 0.441 164 A N 0.566 123.282 122.820 -0.174 0.000 1.902 164 A HA -0.188 4.132 4.320 0.001 0.000 0.217 164 A C 1.954 179.424 177.584 -0.189 0.000 1.181 164 A CA 1.394 53.314 52.037 -0.195 0.000 0.623 164 A CB -0.788 18.065 19.000 -0.245 0.000 0.818 164 A HN 0.277 nan 8.150 nan 0.000 0.443 165 Y N -0.233 119.997 120.300 -0.116 0.000 2.224 165 Y HA -0.119 4.431 4.550 0.001 0.000 0.289 165 Y C 2.183 178.016 175.900 -0.113 0.000 1.146 165 Y CA 1.284 59.319 58.100 -0.107 0.000 1.182 165 Y CB -0.413 37.980 38.460 -0.113 0.000 0.983 165 Y HN 0.241 nan 8.280 nan 0.000 0.524 166 I N -0.234 120.332 120.570 -0.005 0.000 2.226 166 I HA -0.282 3.888 4.170 0.001 0.000 0.245 166 I C 2.110 178.124 176.117 -0.172 0.000 1.100 166 I CA 1.471 62.698 61.300 -0.123 0.000 1.374 166 I CB -0.328 37.516 38.000 -0.260 0.000 1.057 166 I HN 0.237 nan 8.210 nan 0.000 0.413 167 E N 0.790 120.861 120.200 -0.215 0.000 2.110 167 E HA -0.199 4.152 4.350 0.001 0.000 0.193 167 E C 2.299 178.920 176.600 0.035 0.000 0.988 167 E CA 1.190 57.547 56.400 -0.072 0.000 0.804 167 E CB -0.197 29.473 29.700 -0.050 0.000 0.745 167 E HN 0.527 nan 8.360 nan 0.000 0.458 168 A N 0.350 123.173 122.820 0.005 0.000 2.067 168 A HA 0.051 4.372 4.320 0.001 0.000 0.219 168 A C 1.877 179.504 177.584 0.073 0.000 1.158 168 A CA 1.235 53.292 52.037 0.035 0.000 0.661 168 A CB -0.426 18.588 19.000 0.023 0.000 0.801 168 A HN 0.382 nan 8.150 nan 0.000 0.452 169 G N -2.419 106.426 108.800 0.074 0.000 2.131 169 G HA2 0.150 4.111 3.960 0.001 0.000 0.223 169 G HA3 0.150 4.111 3.960 0.001 0.000 0.223 169 G C 0.382 175.329 174.900 0.079 0.000 0.990 169 G CA 0.298 45.447 45.100 0.082 0.000 0.671 169 G HN 1.550 nan 8.290 nan 0.000 0.521 170 A N -0.274 122.595 122.820 0.081 0.000 2.425 170 A HA 0.791 5.112 4.320 0.001 0.000 0.242 170 A C 1.531 179.116 177.584 0.002 0.000 1.077 170 A CA 1.024 53.083 52.037 0.036 0.000 0.781 170 A CB 0.667 19.675 19.000 0.015 0.000 1.020 170 A HN 1.756 nan 8.150 nan 0.000 0.494 171 A N 1.202 124.005 122.820 -0.029 0.000 2.085 171 A HA 0.556 4.877 4.320 0.001 0.000 0.208 171 A C 1.034 178.588 177.584 -0.050 0.000 1.191 171 A CA 1.031 53.058 52.037 -0.018 0.000 0.799 171 A CB -0.068 18.933 19.000 0.002 0.000 0.877 171 A HN 1.872 nan 8.150 nan 0.000 0.473 172 G N -1.274 107.454 108.800 -0.120 0.000 2.718 172 G HA2 0.526 4.487 3.960 0.001 0.000 0.295 172 G HA3 0.526 4.487 3.960 0.001 0.000 0.295 172 G C -1.670 173.088 174.900 -0.237 0.000 1.421 172 G CA -0.306 44.714 45.100 -0.132 0.000 0.902 172 G HN 0.404 nan 8.290 nan 0.000 0.501 173 V N 1.293 121.094 119.914 -0.188 0.000 2.709 173 V HA 0.568 4.688 4.120 0.001 0.000 0.308 173 V C -0.621 175.295 176.094 -0.296 0.000 1.062 173 V CA -1.051 60.992 62.300 -0.428 0.000 0.901 173 V CB 1.780 33.296 31.823 -0.511 0.000 1.003 173 V HN 1.133 nan 8.190 nan 0.000 0.425 174 H N 1.753 120.595 119.070 -0.379 0.000 2.472 174 H HA 0.809 5.366 4.556 0.001 0.000 0.338 174 H C -1.661 173.415 175.328 -0.421 0.000 1.133 174 H CA -1.200 54.765 56.048 -0.138 0.000 1.216 174 H CB 1.214 31.138 29.762 0.270 0.000 1.497 174 H HN 0.389 nan 8.280 nan 0.000 0.500 175 F N 1.165 121.286 119.950 0.286 0.000 2.518 175 F HA 0.286 4.814 4.527 0.002 0.000 0.323 175 F C 0.032 175.999 175.800 0.279 0.000 1.129 175 F CA -0.947 57.186 58.000 0.223 0.000 0.920 175 F CB 1.960 41.030 39.000 0.116 0.000 1.160 175 F HN 0.771 nan 8.300 nan 0.000 0.440 176 E N 0.705 121.074 120.200 0.282 0.000 2.235 176 E HA 0.346 4.697 4.350 0.001 0.000 0.265 176 E C -0.930 175.480 176.600 -0.316 0.000 0.940 176 E CA -0.793 55.564 56.400 -0.072 0.000 0.819 176 E CB 1.847 31.472 29.700 -0.126 0.000 1.206 176 E HN 0.603 nan 8.360 nan 0.000 0.409 177 D N 0.791 120.829 120.400 -0.602 0.000 2.395 177 D HA -0.029 4.612 4.640 0.001 0.000 0.226 177 D C -0.003 176.155 176.300 -0.237 0.000 1.146 177 D CA -0.212 53.444 54.000 -0.572 0.000 0.830 177 D CB -0.077 40.362 40.800 -0.603 0.000 0.958 177 D HN 0.520 nan 8.370 nan 0.000 0.501 178 Q N -0.261 119.430 119.800 -0.181 0.000 2.214 178 Q HA 0.392 4.732 4.340 0.001 0.000 0.251 178 Q C -0.574 175.373 176.000 -0.088 0.000 0.936 178 Q CA -1.242 54.480 55.803 -0.134 0.000 0.894 178 Q CB 1.662 30.320 28.738 -0.134 0.000 1.252 178 Q HN 0.074 nan 8.270 nan 0.000 0.448 179 L N 2.356 123.522 121.223 -0.094 0.000 2.410 179 L HA 0.378 4.719 4.340 0.001 0.000 0.273 179 L C -0.311 176.536 176.870 -0.039 0.000 1.144 179 L CA 0.523 55.328 54.840 -0.057 0.000 0.863 179 L CB 0.619 42.626 42.059 -0.086 0.000 1.140 179 L HN 0.901 nan 8.230 nan 0.000 0.463 191 K N -0.609 119.744 120.400 -0.078 0.000 2.258 191 K HA 0.510 4.831 4.320 0.001 0.000 0.264 191 K C -0.550 175.955 176.600 -0.158 0.000 1.007 191 K CA -0.343 55.878 56.287 -0.109 0.000 0.941 191 K CB 1.662 34.096 32.500 -0.110 0.000 0.966 191 K HN 0.199 nan 8.250 nan 0.000 0.480 192 V N 3.842 123.629 119.914 -0.212 0.000 2.483 192 V HA 0.251 4.372 4.120 0.001 0.000 0.297 192 V C -0.088 175.864 176.094 -0.237 0.000 1.027 192 V CA -0.892 61.217 62.300 -0.319 0.000 0.855 192 V CB 1.257 32.702 31.823 -0.631 0.000 0.995 192 V HN 0.580 nan 8.190 nan 0.000 0.424 193 L N 5.122 126.231 121.223 -0.189 0.000 2.436 193 L HA 0.510 4.851 4.340 0.001 0.000 0.265 193 L C 0.078 176.886 176.870 -0.104 0.000 1.168 193 L CA -0.318 54.442 54.840 -0.133 0.000 0.815 193 L CB 0.986 42.983 42.059 -0.104 0.000 1.109 193 L HN 0.639 nan 8.230 nan 0.000 0.462 194 I N -0.445 120.087 120.570 -0.062 0.000 2.783 194 I HA 0.573 4.744 4.170 0.001 0.000 0.312 194 I C -2.485 173.646 176.117 0.023 0.000 0.988 194 I CA -2.661 58.633 61.300 -0.011 0.000 1.182 194 I CB 0.015 38.022 38.000 0.011 0.000 1.368 194 I HN 0.257 nan 8.210 nan 0.000 0.511 195 P HA 0.120 nan 4.420 nan 0.000 0.269 195 P C 0.517 177.885 177.300 0.113 0.000 1.215 195 P CA -0.050 63.084 63.100 0.055 0.000 0.780 195 P CB 0.390 32.114 31.700 0.040 0.000 0.898 196 T N 1.527 116.159 114.554 0.131 0.000 2.685 196 T HA -0.263 4.087 4.350 0.001 0.000 0.268 196 T C 1.726 176.561 174.700 0.225 0.000 1.034 196 T CA 2.230 64.465 62.100 0.226 0.000 1.149 196 T CB -0.683 68.257 68.868 0.120 0.000 0.860 196 T HN 0.491 nan 8.240 nan 0.000 0.449 197 A N 1.140 124.028 122.820 0.113 0.000 1.930 197 A HA 0.217 4.537 4.320 0.001 0.000 0.217 197 A C 2.643 180.242 177.584 0.024 0.000 1.175 197 A CA 1.733 53.801 52.037 0.053 0.000 0.627 197 A CB -0.996 18.020 19.000 0.027 0.000 0.815 197 A HN 0.521 nan 8.150 nan 0.000 0.443 198 A N -1.083 121.767 122.820 0.050 0.000 1.902 198 A HA -0.175 4.146 4.320 0.001 0.000 0.217 198 A C 2.065 179.669 177.584 0.034 0.000 1.181 198 A CA 2.088 54.145 52.037 0.034 0.000 0.623 198 A CB -0.799 18.232 19.000 0.051 0.000 0.818 198 A HN 0.688 nan 8.150 nan 0.000 0.443 199 H N -0.174 118.875 119.070 -0.035 0.000 2.395 199 H HA 0.064 4.621 4.556 0.001 0.000 0.299 199 H C 1.718 176.922 175.328 -0.207 0.000 1.070 199 H CA 1.623 57.586 56.048 -0.142 0.000 1.356 199 H CB -0.260 29.352 29.762 -0.250 0.000 1.401 199 H HN 0.425 nan 8.280 nan 0.000 0.524 200 I N -0.104 120.376 120.570 -0.151 0.000 2.264 200 I HA -0.293 3.878 4.170 0.001 0.000 0.248 200 I C 2.513 178.409 176.117 -0.370 0.000 1.111 200 I CA 1.257 62.370 61.300 -0.313 0.000 1.382 200 I CB -0.241 37.576 38.000 -0.306 0.000 1.060 200 I HN 0.241 nan 8.210 nan 0.000 0.418 201 R N 0.525 120.882 120.500 -0.239 0.000 2.075 201 R HA -0.122 4.219 4.340 0.001 0.000 0.232 201 R C 2.163 178.332 176.300 -0.219 0.000 1.126 201 R CA 1.357 57.339 56.100 -0.197 0.000 0.963 201 R CB -0.322 29.908 30.300 -0.117 0.000 0.858 201 R HN 0.418 nan 8.270 nan 0.000 0.435 202 N N 1.016 119.567 118.700 -0.248 0.000 2.069 202 N HA -0.176 4.565 4.740 0.001 0.000 0.191 202 N C 1.921 177.128 175.510 -0.505 0.000 1.031 202 N CA 1.278 54.140 53.050 -0.312 0.000 0.852 202 N CB -0.383 37.953 38.487 -0.251 0.000 1.018 202 N HN 0.194 nan 8.380 nan 0.000 0.423 203 L N 0.558 121.433 121.223 -0.580 0.000 2.046 203 L HA -0.148 4.192 4.340 0.001 0.000 0.208 203 L C 1.919 178.605 176.870 -0.306 0.000 1.077 203 L CA 1.131 55.664 54.840 -0.511 0.000 0.747 203 L CB -0.479 41.350 42.059 -0.383 0.000 0.896 203 L HN 0.201 nan 8.230 nan 0.000 0.432 204 N N -0.558 118.000 118.700 -0.238 0.000 2.270 204 N HA -0.087 4.654 4.740 0.001 0.000 0.181 204 N C 1.862 177.332 175.510 -0.066 0.000 1.016 204 N CA 0.877 53.869 53.050 -0.096 0.000 0.870 204 N CB 0.011 38.436 38.487 -0.104 0.000 0.979 204 N HN 0.288 nan 8.380 nan 0.000 0.431 205 A N 0.539 123.283 122.820 -0.127 0.000 1.930 205 A HA 0.029 4.350 4.320 0.001 0.000 0.217 205 A C 2.221 179.800 177.584 -0.008 0.000 1.175 205 A CA 1.578 53.591 52.037 -0.040 0.000 0.627 205 A CB -0.793 18.177 19.000 -0.050 0.000 0.815 205 A HN 0.361 nan 8.150 nan 0.000 0.443 206 A N -0.295 122.389 122.820 -0.227 0.000 1.930 206 A HA -0.107 4.214 4.320 0.001 0.000 0.217 206 A C 2.181 179.698 177.584 -0.111 0.000 1.175 206 A CA 1.959 53.835 52.037 -0.267 0.000 0.627 206 A CB -0.393 18.154 19.000 -0.754 0.000 0.815 206 A HN 0.447 nan 8.150 nan 0.000 0.443 207 R N -0.484 119.968 120.500 -0.080 0.000 2.066 207 R HA -0.068 4.272 4.340 0.001 0.000 0.232 207 R C 1.925 178.228 176.300 0.005 0.000 1.131 207 R CA 1.549 57.643 56.100 -0.011 0.000 0.955 207 R CB -0.865 29.444 30.300 0.014 0.000 0.851 207 R HN 0.420 nan 8.270 nan 0.000 0.432 208 L N 0.372 121.583 121.223 -0.021 0.000 2.013 208 L HA -0.114 4.226 4.340 0.001 0.000 0.212 208 L C 2.097 178.965 176.870 -0.004 0.000 1.073 208 L CA 2.372 57.079 54.840 -0.222 0.000 0.753 208 L CB -1.057 40.816 42.059 -0.309 0.000 0.890 208 L HN 0.280 nan 8.230 nan 0.000 0.432 209 A N -0.506 122.320 122.820 0.009 0.000 1.883 209 A HA -0.176 4.145 4.320 0.001 0.000 0.217 209 A C 2.457 179.929 177.584 -0.186 0.000 1.186 209 A CA 2.283 54.140 52.037 -0.300 0.000 0.624 209 A CB -1.320 17.387 19.000 -0.489 0.000 0.822 209 A HN 0.621 nan 8.150 nan 0.000 0.444 210 A N -0.314 122.448 122.820 -0.097 0.000 1.930 210 A HA -0.146 4.174 4.320 0.001 0.000 0.217 210 A C 1.766 179.344 177.584 -0.010 0.000 1.175 210 A CA 1.810 53.816 52.037 -0.050 0.000 0.627 210 A CB -0.549 18.451 19.000 0.001 0.000 0.815 210 A HN 0.476 nan 8.150 nan 0.000 0.443 211 D N -0.183 120.220 120.400 0.005 0.000 2.117 211 D HA -0.105 4.535 4.640 0.001 0.000 0.197 211 D C 2.079 178.417 176.300 0.062 0.000 0.987 211 D CA 1.403 55.435 54.000 0.054 0.000 0.829 211 D CB -0.485 40.397 40.800 0.137 0.000 0.961 211 D HN 0.204 nan 8.370 nan 0.000 0.460 212 V N 1.329 121.266 119.914 0.038 0.000 2.295 212 V HA -0.236 3.885 4.120 0.001 0.000 0.246 212 V C 2.424 178.545 176.094 0.045 0.000 1.049 212 V CA 1.247 63.576 62.300 0.049 0.000 1.024 212 V CB -0.323 31.544 31.823 0.072 0.000 0.648 212 V HN 0.225 nan 8.190 nan 0.000 0.447 213 M N -0.557 119.038 119.600 -0.009 0.000 2.296 213 M HA 0.083 4.563 4.480 0.001 0.000 0.265 213 M C 1.763 178.144 176.300 0.134 0.000 1.064 213 M CA 1.483 56.793 55.300 0.018 0.000 1.109 213 M CB -1.202 31.265 32.600 -0.221 0.000 1.396 213 M HN 0.613 nan 8.290 nan 0.000 0.430 214 G N 1.779 110.632 108.800 0.089 0.000 2.130 214 G HA2 -0.189 3.772 3.960 0.001 0.000 0.216 214 G HA3 -0.189 3.772 3.960 0.001 0.000 0.216 214 G C 0.208 175.174 174.900 0.111 0.000 0.999 214 G CA 0.460 45.625 45.100 0.108 0.000 0.686 214 G HN 0.613 nan 8.290 nan 0.000 0.515 215 T N -2.222 112.384 114.554 0.087 0.000 2.863 215 T HA 0.754 5.105 4.350 0.001 0.000 0.285 215 T C -2.261 172.487 174.700 0.078 0.000 1.009 215 T CA -1.552 60.594 62.100 0.077 0.000 0.989 215 T CB 3.240 72.140 68.868 0.054 0.000 1.004 215 T HN -0.003 nan 8.240 nan 0.000 0.455 216 P HA 0.173 nan 4.420 nan 0.000 0.243 216 P C -0.032 177.250 177.300 -0.029 0.000 1.668 216 P CA -0.324 62.782 63.100 0.009 0.000 0.898 216 P CB -0.993 30.605 31.700 -0.171 0.000 1.637 217 T N 1.903 116.470 114.554 0.022 0.000 2.923 217 T HA 0.005 4.356 4.350 0.001 0.000 0.304 217 T C 0.737 175.463 174.700 0.045 0.000 1.044 217 T CA 0.163 62.277 62.100 0.023 0.000 1.141 217 T CB 0.318 69.200 68.868 0.023 0.000 1.023 217 T HN 0.051 nan 8.240 nan 0.000 0.533 218 L N 3.627 124.880 121.223 0.049 0.000 2.380 218 L HA 0.387 4.728 4.340 0.001 0.000 0.273 218 L C 0.444 177.387 176.870 0.121 0.000 1.138 218 L CA 0.036 54.933 54.840 0.095 0.000 0.832 218 L CB 0.400 42.521 42.059 0.102 0.000 1.124 218 L HN 0.630 nan 8.230 nan 0.000 0.454 219 I N 3.103 123.777 120.570 0.174 0.000 2.378 219 I HA 0.314 4.484 4.170 0.001 0.000 0.291 219 I C -0.302 175.976 176.117 0.269 0.000 0.992 219 I CA -0.608 60.842 61.300 0.250 0.000 1.154 219 I CB 2.153 40.276 38.000 0.204 0.000 1.315 219 I HN 0.189 nan 8.210 nan 0.000 0.448 220 V N 5.853 125.967 119.914 0.333 0.000 2.370 220 V HA 0.562 4.683 4.120 0.001 0.000 0.283 220 V C 0.355 176.718 176.094 0.449 0.000 1.023 220 V CA -0.629 61.898 62.300 0.379 0.000 0.857 220 V CB 1.477 33.547 31.823 0.413 0.000 0.985 220 V HN 0.808 nan 8.190 nan 0.000 0.443 221 A N 5.668 128.724 122.820 0.394 0.000 2.289 221 A HA 0.719 5.040 4.320 0.001 0.000 0.298 221 A C 0.064 177.863 177.584 0.357 0.000 1.208 221 A CA -0.515 51.744 52.037 0.370 0.000 0.845 221 A CB 0.387 19.559 19.000 0.286 0.000 1.125 221 A HN 0.853 nan 8.150 nan 0.000 0.517 222 R N 1.921 122.541 120.500 0.199 0.000 2.445 222 R HA 0.536 4.876 4.340 0.001 0.000 0.308 222 R C -0.936 175.245 176.300 -0.199 0.000 0.961 222 R CA -0.139 55.864 56.100 -0.161 0.000 0.862 222 R CB 1.434 31.347 30.300 -0.646 0.000 1.144 222 R HN 0.626 nan 8.270 nan 0.000 0.447 223 T N 1.722 116.169 114.554 -0.180 0.000 2.794 223 T HA 0.222 4.573 4.350 0.001 0.000 0.280 223 T C -0.186 174.354 174.700 -0.267 0.000 0.987 223 T CA -0.581 61.446 62.100 -0.121 0.000 0.993 223 T CB 0.962 69.871 68.868 0.069 0.000 0.939 223 T HN 0.632 nan 8.240 nan 0.000 0.449 224 D N 3.796 124.053 120.400 -0.238 0.000 2.388 224 D HA 0.208 4.849 4.640 0.001 0.000 0.221 224 D C 1.505 177.693 176.300 -0.187 0.000 1.133 224 D CA -0.033 53.826 54.000 -0.235 0.000 0.831 224 D CB 0.658 41.325 40.800 -0.222 0.000 0.962 224 D HN 0.652 nan 8.370 nan 0.000 0.502 225 A N 0.823 123.536 122.820 -0.177 0.000 2.119 225 A HA -0.137 4.184 4.320 0.001 0.000 0.217 225 A C 2.040 179.524 177.584 -0.167 0.000 1.153 225 A CA 0.677 52.608 52.037 -0.176 0.000 0.692 225 A CB -0.154 18.722 19.000 -0.206 0.000 0.799 225 A HN 0.166 nan 8.150 nan 0.000 0.458 226 E N 0.051 120.151 120.200 -0.166 0.000 2.085 226 E HA -0.168 4.182 4.350 0.001 0.000 0.194 226 E C 1.835 178.364 176.600 -0.118 0.000 0.994 226 E CA 1.353 57.667 56.400 -0.142 0.000 0.801 226 E CB -0.120 29.483 29.700 -0.162 0.000 0.743 226 E HN 0.551 nan 8.360 nan 0.000 0.453 227 A N 0.417 123.164 122.820 -0.122 0.000 2.108 227 A HA 0.463 4.784 4.320 0.001 0.000 0.206 227 A C 1.075 178.605 177.584 -0.090 0.000 1.212 227 A CA 0.424 52.402 52.037 -0.098 0.000 0.843 227 A CB 0.199 19.140 19.000 -0.097 0.000 0.902 227 A HN 0.254 nan 8.150 nan 0.000 0.477 228 A N 0.494 123.249 122.820 -0.108 0.000 2.488 228 A HA 0.451 4.772 4.320 0.001 0.000 0.249 228 A C 0.608 178.142 177.584 -0.084 0.000 1.083 228 A CA 0.052 52.027 52.037 -0.103 0.000 0.768 228 A CB 0.074 18.999 19.000 -0.125 0.000 1.017 228 A HN 0.381 nan 8.150 nan 0.000 0.496 229 K N 1.574 121.935 120.400 -0.065 0.000 2.374 229 K HA 0.342 4.663 4.320 0.001 0.000 0.202 229 K C -0.579 176.006 176.600 -0.026 0.000 1.040 229 K CA 0.226 56.490 56.287 -0.038 0.000 1.085 229 K CB 0.225 32.712 32.500 -0.022 0.000 0.873 229 K HN 0.678 nan 8.250 nan 0.000 0.539 230 L N 1.064 122.252 121.223 -0.059 0.000 2.354 230 L HA 0.568 4.909 4.340 0.001 0.000 0.264 230 L C -1.340 175.468 176.870 -0.102 0.000 1.008 230 L CA -1.356 53.447 54.840 -0.060 0.000 0.819 230 L CB 1.873 43.864 42.059 -0.114 0.000 1.339 230 L HN -0.144 nan 8.230 nan 0.000 0.420 231 L N 0.048 121.253 121.223 -0.029 0.000 2.464 231 L HA 0.405 4.746 4.340 0.001 0.000 0.266 231 L C 0.822 177.761 176.870 0.116 0.000 0.965 231 L CA -0.035 54.802 54.840 -0.005 0.000 0.833 231 L CB 2.045 44.127 42.059 0.039 0.000 1.296 231 L HN 0.753 nan 8.230 nan 0.000 0.405 232 T N 0.086 114.673 114.554 0.056 0.000 2.746 232 T HA 0.024 4.374 4.350 0.001 0.000 0.267 232 T C 0.774 175.698 174.700 0.373 0.000 1.039 232 T CA 1.258 63.510 62.100 0.254 0.000 1.142 232 T CB -0.274 68.684 68.868 0.151 0.000 0.866 232 T HN 0.617 nan 8.240 nan 0.000 0.444 233 S N 0.957 116.762 115.700 0.175 0.000 2.536 233 S HA 0.397 4.867 4.470 0.001 0.000 0.271 233 S C -0.882 173.555 174.600 -0.272 0.000 1.134 233 S CA -0.473 57.729 58.200 0.003 0.000 0.897 233 S CB 1.829 65.057 63.200 0.048 0.000 1.094 233 S HN 0.459 nan 8.310 nan 0.000 0.473 234 D N 3.481 123.460 120.400 -0.701 0.000 2.336 234 D HA 0.011 4.652 4.640 0.001 0.000 0.228 234 D C 1.379 177.568 176.300 -0.186 0.000 1.120 234 D CA -0.248 53.474 54.000 -0.464 0.000 0.839 234 D CB -0.161 40.267 40.800 -0.620 0.000 0.932 234 D HN 0.433 nan 8.370 nan 0.000 0.509 235 I N 1.018 121.513 120.570 -0.125 0.000 2.248 235 I HA -0.181 3.989 4.170 0.001 0.000 0.248 235 I C 0.471 176.581 176.117 -0.012 0.000 1.107 235 I CA 1.048 62.323 61.300 -0.042 0.000 1.373 235 I CB -0.187 37.806 38.000 -0.012 0.000 1.055 235 I HN -0.038 nan 8.210 nan 0.000 0.418 236 D N 0.347 120.745 120.400 -0.004 0.000 2.277 236 D HA -0.022 4.619 4.640 0.001 0.000 0.249 236 D C 1.226 177.545 176.300 0.032 0.000 1.134 236 D CA 0.106 54.119 54.000 0.022 0.000 0.863 236 D CB 1.129 41.952 40.800 0.038 0.000 1.143 236 D HN 0.515 nan 8.370 nan 0.000 0.458 237 E N 3.607 123.826 120.200 0.032 0.000 2.160 237 E HA -0.236 4.115 4.350 0.001 0.000 0.195 237 E C 1.209 177.837 176.600 0.047 0.000 0.991 237 E CA 0.952 57.372 56.400 0.034 0.000 0.810 237 E CB -0.003 29.711 29.700 0.023 0.000 0.742 237 E HN 0.398 nan 8.360 nan 0.000 0.466 238 R N 0.404 120.942 120.500 0.063 0.000 2.189 238 R HA -0.043 4.298 4.340 0.001 0.000 0.218 238 R C 1.170 177.572 176.300 0.170 0.000 1.074 238 R CA 1.308 57.465 56.100 0.095 0.000 0.991 238 R CB 0.087 30.440 30.300 0.088 0.000 0.883 238 R HN 0.301 nan 8.270 nan 0.000 0.457 239 D N 0.025 120.514 120.400 0.147 0.000 2.338 239 D HA -0.045 4.596 4.640 0.001 0.000 0.208 239 D C 1.652 178.075 176.300 0.205 0.000 0.997 239 D CA 0.511 54.642 54.000 0.218 0.000 0.880 239 D CB 0.078 40.938 40.800 0.100 0.000 0.980 239 D HN 0.189 nan 8.370 nan 0.000 0.509 240 Q N 0.474 120.337 119.800 0.105 0.000 2.152 240 Q HA -0.134 4.207 4.340 0.001 0.000 0.206 240 Q C -0.746 175.299 176.000 0.075 0.000 0.985 240 Q CA 1.428 57.299 55.803 0.114 0.000 0.863 240 Q CB -0.848 27.974 28.738 0.140 0.000 0.904 240 Q HN 0.281 nan 8.270 nan 0.000 0.422 241 P HA -0.140 nan 4.420 nan 0.000 0.225 241 P C 0.104 177.161 177.300 -0.406 0.000 1.148 241 P CA 1.157 64.086 63.100 -0.284 0.000 0.779 241 P CB 0.006 31.395 31.700 -0.518 0.000 0.780 242 F N -2.471 117.483 119.950 0.007 0.000 2.721 242 F HA 0.092 4.620 4.527 0.001 0.000 0.301 242 F C 0.995 176.762 175.800 -0.055 0.000 1.096 242 F CA -0.167 57.823 58.000 -0.016 0.000 1.308 242 F CB -0.420 38.568 39.000 -0.021 0.000 1.086 242 F HN -0.393 nan 8.300 nan 0.000 0.587 243 V N 1.435 121.357 119.914 0.013 0.000 2.555 243 V HA -0.026 4.095 4.120 0.001 0.000 0.286 243 V C 0.040 175.987 176.094 -0.245 0.000 1.044 243 V CA -0.430 61.744 62.300 -0.210 0.000 1.026 243 V CB 0.719 32.189 31.823 -0.589 0.000 0.981 243 V HN 0.013 nan 8.190 nan 0.000 0.480 244 D N 3.823 124.130 120.400 -0.154 0.000 2.453 244 D HA 0.132 4.772 4.640 0.001 0.000 0.223 244 D C 0.509 176.760 176.300 -0.082 0.000 1.183 244 D CA -0.034 53.929 54.000 -0.060 0.000 0.933 244 D CB 0.301 41.098 40.800 -0.005 0.000 1.038 244 D HN 0.512 nan 8.370 nan 0.000 0.513 245 Y N 1.497 121.848 120.300 0.085 0.000 2.373 245 Y HA -0.050 4.501 4.550 0.001 0.000 0.293 245 Y C 2.160 178.094 175.900 0.058 0.000 1.129 245 Y CA 0.698 58.851 58.100 0.088 0.000 1.226 245 Y CB 0.115 38.620 38.460 0.075 0.000 1.000 245 Y HN 0.428 nan 8.280 nan 0.000 0.549 246 E N 0.329 120.634 120.200 0.175 0.000 2.110 246 E HA -0.073 4.278 4.350 0.001 0.000 0.193 246 E C 1.044 177.686 176.600 0.071 0.000 0.988 246 E CA 0.546 57.009 56.400 0.105 0.000 0.804 246 E CB -0.121 29.625 29.700 0.077 0.000 0.745 246 E HN 0.310 nan 8.360 nan 0.000 0.458 247 A N 1.118 123.971 122.820 0.055 0.000 2.332 247 A HA 0.463 4.783 4.320 0.001 0.000 0.258 247 A C 0.669 178.268 177.584 0.025 0.000 1.087 247 A CA 0.173 52.228 52.037 0.029 0.000 0.802 247 A CB 0.638 19.648 19.000 0.016 0.000 1.042 247 A HN 0.174 nan 8.150 nan 0.000 0.489 248 G N -0.031 108.769 108.800 0.000 0.000 2.516 248 G HA2 0.439 4.399 3.960 0.001 0.000 0.276 248 G HA3 0.439 4.399 3.960 0.001 0.000 0.276 248 G C 0.181 175.029 174.900 -0.087 0.000 1.390 248 G CA -0.761 44.324 45.100 -0.025 0.000 1.050 248 G HN 0.853 nan 8.290 nan 0.000 0.519 249 R N -0.748 119.650 120.500 -0.170 0.000 2.615 249 R HA 0.350 4.691 4.340 0.001 0.000 0.270 249 R C 0.983 177.194 176.300 -0.147 0.000 1.081 249 R CA 0.057 55.996 56.100 -0.269 0.000 1.154 249 R CB 0.601 30.659 30.300 -0.402 0.000 1.063 249 R HN 0.685 nan 8.270 nan 0.000 0.519 250 T N -1.512 112.973 114.554 -0.116 0.000 2.754 250 T HA 0.178 4.528 4.350 0.001 0.000 0.286 250 T C 1.443 176.064 174.700 -0.132 0.000 0.997 250 T CA -0.217 61.836 62.100 -0.079 0.000 0.982 250 T CB 1.107 69.970 68.868 -0.008 0.000 1.027 250 T HN 0.601 nan 8.240 nan 0.000 0.529 251 A N 0.276 123.033 122.820 -0.104 0.000 2.032 251 A HA -0.074 4.247 4.320 0.001 0.000 0.221 251 A C 1.996 179.470 177.584 -0.183 0.000 1.165 251 A CA 1.727 53.695 52.037 -0.115 0.000 0.645 251 A CB -0.976 17.979 19.000 -0.075 0.000 0.807 251 A HN 0.900 nan 8.150 nan 0.000 0.453 252 E N -1.693 118.338 120.200 -0.283 0.000 2.478 252 E HA 0.326 4.677 4.350 0.001 0.000 0.194 252 E C 1.199 177.389 176.600 -0.683 0.000 1.045 252 E CA 0.716 56.815 56.400 -0.501 0.000 0.868 252 E CB -0.017 29.268 29.700 -0.692 0.000 0.885 252 E HN 0.754 nan 8.360 nan 0.000 0.505 253 G N 0.026 108.538 108.800 -0.479 0.000 2.157 253 G HA2 -0.249 3.712 3.960 0.001 0.000 0.239 253 G HA3 -0.249 3.712 3.960 0.001 0.000 0.239 253 G C -0.199 174.525 174.900 -0.294 0.000 0.982 253 G CA -0.385 44.497 45.100 -0.364 0.000 0.650 253 G HN 0.128 nan 8.290 nan 0.000 0.527 254 F N 0.465 120.353 119.950 -0.103 0.000 2.389 254 F HA 0.670 5.198 4.527 0.001 0.000 0.337 254 F C 0.941 176.646 175.800 -0.158 0.000 1.112 254 F CA -1.586 56.386 58.000 -0.046 0.000 1.192 254 F CB 0.264 39.266 39.000 0.004 0.000 1.185 254 F HN 0.061 nan 8.300 nan 0.000 0.552 255 Y N 0.793 121.206 120.300 0.188 0.000 2.304 255 Y HA 0.291 4.842 4.550 0.001 0.000 0.327 255 Y C 0.452 176.368 175.900 0.027 0.000 1.209 255 Y CA -0.333 57.798 58.100 0.053 0.000 1.299 255 Y CB 0.460 38.914 38.460 -0.009 0.000 1.249 255 Y HN 0.492 nan 8.280 nan 0.000 0.519 256 Q N 1.162 121.019 119.800 0.096 0.000 2.230 256 Q HA 0.663 5.004 4.340 0.001 0.000 0.253 256 Q C -1.477 174.540 176.000 0.028 0.000 0.919 256 Q CA -0.632 55.200 55.803 0.048 0.000 0.908 256 Q CB 1.758 30.508 28.738 0.020 0.000 1.245 256 Q HN 0.557 nan 8.270 nan 0.000 0.437 257 V N 2.999 122.928 119.914 0.026 0.000 2.888 257 V HA 0.290 4.410 4.120 0.001 0.000 0.309 257 V C -1.135 174.983 176.094 0.039 0.000 1.114 257 V CA -0.862 61.459 62.300 0.034 0.000 0.940 257 V CB 2.219 34.056 31.823 0.025 0.000 1.021 257 V HN 0.693 nan 8.190 nan 0.000 0.426 258 K N 5.597 126.051 120.400 0.089 0.000 2.383 258 K HA 0.224 4.544 4.320 0.001 0.000 0.286 258 K C 0.127 176.752 176.600 0.042 0.000 1.051 258 K CA -0.289 56.053 56.287 0.092 0.000 0.974 258 K CB 0.383 32.980 32.500 0.161 0.000 0.968 258 K HN 0.860 nan 8.250 nan 0.000 0.475 259 N N 3.025 121.722 118.700 -0.005 0.000 2.448 259 N HA 0.574 5.315 4.740 0.001 0.000 0.274 259 N C 0.278 175.758 175.510 -0.050 0.000 1.239 259 N CA 0.147 53.161 53.050 -0.060 0.000 0.982 259 N CB 1.082 39.531 38.487 -0.063 0.000 1.199 259 N HN 0.742 nan 8.380 nan 0.000 0.576 260 G N -0.748 108.004 108.800 -0.079 0.000 2.331 260 G HA2 -0.159 3.802 3.960 0.001 0.000 0.479 260 G HA3 -0.159 3.802 3.960 0.001 0.000 0.479 260 G C 0.224 175.090 174.900 -0.058 0.000 1.262 260 G CA -0.171 44.897 45.100 -0.052 0.000 1.029 260 G HN 0.650 nan 8.290 nan 0.000 0.487 261 I N 0.584 121.147 120.570 -0.011 0.000 2.394 261 I HA 0.002 4.173 4.170 0.001 0.000 0.251 261 I C 2.416 178.566 176.117 0.055 0.000 1.136 261 I CA 2.214 63.535 61.300 0.035 0.000 1.425 261 I CB -0.155 37.893 38.000 0.080 0.000 1.079 261 I HN 0.733 nan 8.210 nan 0.000 0.425 262 E N 1.179 121.407 120.200 0.046 0.000 2.031 262 E HA -0.193 4.157 4.350 0.001 0.000 0.193 262 E C -0.742 175.828 176.600 -0.050 0.000 0.994 262 E CA 1.778 58.235 56.400 0.095 0.000 0.800 262 E CB -1.005 28.829 29.700 0.223 0.000 0.752 262 E HN 0.499 nan 8.360 nan 0.000 0.447 263 P HA -0.129 nan 4.420 nan 0.000 0.218 263 P C 1.081 178.174 177.300 -0.344 0.000 1.149 263 P CA 1.105 63.688 63.100 -0.863 0.000 0.817 263 P CB -0.064 30.979 31.700 -1.094 0.000 0.785 264 C N -0.288 118.916 119.300 -0.160 0.000 2.413 264 C HA -0.118 4.342 4.460 0.001 0.000 0.276 264 C C 2.927 178.024 174.990 0.178 0.000 1.236 264 C CA 0.543 59.566 59.018 0.008 0.000 1.735 264 C CB -1.769 25.983 27.740 0.019 0.000 2.031 264 C HN 0.158 nan 8.230 nan 0.000 0.474 265 I N 1.413 122.083 120.570 0.167 0.000 2.179 265 I HA -0.229 3.941 4.170 0.001 0.000 0.242 265 I C 2.767 178.884 176.117 -0.001 0.000 1.088 265 I CA 1.713 63.062 61.300 0.081 0.000 1.357 265 I CB -0.576 37.453 38.000 0.049 0.000 1.051 265 I HN 0.292 nan 8.210 nan 0.000 0.409 266 A N 0.687 123.509 122.820 0.004 0.000 1.902 266 A HA -0.215 4.106 4.320 0.001 0.000 0.217 266 A C 2.401 179.922 177.584 -0.105 0.000 1.181 266 A CA 1.627 53.671 52.037 0.013 0.000 0.623 266 A CB -0.562 18.525 19.000 0.145 0.000 0.818 266 A HN 0.307 nan 8.150 nan 0.000 0.443 267 R N -0.691 119.679 120.500 -0.216 0.000 2.066 267 R HA -0.016 4.324 4.340 0.001 0.000 0.232 267 R C 2.576 178.465 176.300 -0.686 0.000 1.131 267 R CA 1.137 56.906 56.100 -0.552 0.000 0.955 267 R CB -0.530 29.463 30.300 -0.512 0.000 0.851 267 R HN 0.500 nan 8.270 nan 0.000 0.432 268 A N 1.531 124.228 122.820 -0.205 0.000 1.884 268 A HA -0.230 4.091 4.320 0.001 0.000 0.219 268 A C 2.170 179.748 177.584 -0.009 0.000 1.197 268 A CA 1.719 53.773 52.037 0.029 0.000 0.637 268 A CB -0.768 18.323 19.000 0.151 0.000 0.827 268 A HN 0.244 nan 8.150 nan 0.000 0.450 269 I N -0.484 120.065 120.570 -0.035 0.000 2.264 269 I HA -0.295 3.875 4.170 0.001 0.000 0.248 269 I C 2.897 179.070 176.117 0.092 0.000 1.111 269 I CA 1.104 62.439 61.300 0.059 0.000 1.382 269 I CB -0.336 37.690 38.000 0.043 0.000 1.060 269 I HN 0.391 nan 8.210 nan 0.000 0.418 270 A N 0.064 122.886 122.820 0.003 0.000 1.929 270 A HA -0.173 4.148 4.320 0.001 0.000 0.216 270 A C 2.031 179.772 177.584 0.261 0.000 1.176 270 A CA 1.265 53.352 52.037 0.082 0.000 0.628 270 A CB -0.654 18.335 19.000 -0.019 0.000 0.816 270 A HN 0.380 nan 8.150 nan 0.000 0.444 271 Y N -0.235 120.188 120.300 0.206 0.000 2.395 271 Y HA 0.142 4.693 4.550 0.001 0.000 0.293 271 Y C 2.811 178.807 175.900 0.160 0.000 1.123 271 Y CA -0.236 58.014 58.100 0.250 0.000 1.227 271 Y CB -1.223 37.382 38.460 0.241 0.000 1.012 271 Y HN 0.314 nan 8.280 nan 0.000 0.552 272 A N 1.018 123.923 122.820 0.141 0.000 1.927 272 A HA -0.204 4.117 4.320 0.001 0.000 0.220 272 A C -0.193 177.234 177.584 -0.262 0.000 1.185 272 A CA 2.001 53.961 52.037 -0.127 0.000 0.639 272 A CB -1.818 16.904 19.000 -0.462 0.000 0.820 272 A HN 0.311 nan 8.150 nan 0.000 0.451 273 P HA -0.018 nan 4.420 nan 0.000 0.237 273 P C -0.064 176.879 177.300 -0.596 0.000 1.178 273 P CA 0.788 63.572 63.100 -0.528 0.000 0.766 273 P CB -0.111 31.168 31.700 -0.702 0.000 0.876 274 Y N -1.050 119.258 120.300 0.013 0.000 2.636 274 Y HA 0.256 4.807 4.550 0.001 0.000 0.260 274 Y C 1.224 177.126 175.900 0.003 0.000 1.177 274 Y CA -0.789 57.306 58.100 -0.009 0.000 1.209 274 Y CB -0.398 38.047 38.460 -0.024 0.000 1.166 274 Y HN 0.087 nan 8.280 nan 0.000 0.531 275 C N -3.577 115.795 119.300 0.120 0.000 3.332 275 C HA 0.509 4.970 4.460 0.001 0.000 0.329 275 C C 0.421 175.504 174.990 0.155 0.000 1.434 275 C CA -0.711 58.398 59.018 0.151 0.000 1.314 275 C CB 1.849 29.706 27.740 0.196 0.000 1.664 275 C HN 0.236 nan 8.230 nan 0.000 0.457 276 D N 0.021 120.542 120.400 0.202 0.000 2.422 276 D HA 0.281 4.922 4.640 0.001 0.000 0.218 276 D C -0.275 176.164 176.300 0.231 0.000 1.047 276 D CA 0.934 55.086 54.000 0.253 0.000 0.885 276 D CB 0.560 41.555 40.800 0.324 0.000 1.035 276 D HN 0.442 nan 8.370 nan 0.000 0.502 277 L N 0.851 122.212 121.223 0.230 0.000 2.422 277 L HA 0.424 4.765 4.340 0.001 0.000 0.264 277 L C -0.656 176.394 176.870 0.300 0.000 0.984 277 L CA -0.480 54.503 54.840 0.239 0.000 0.819 277 L CB 3.069 45.276 42.059 0.246 0.000 1.330 277 L HN -0.239 nan 8.230 nan 0.000 0.410 278 I N 1.414 122.171 120.570 0.312 0.000 2.412 278 I HA 0.357 4.528 4.170 0.001 0.000 0.296 278 I C -1.387 175.051 176.117 0.535 0.000 0.987 278 I CA -0.398 61.143 61.300 0.402 0.000 1.180 278 I CB 1.680 39.888 38.000 0.348 0.000 1.340 278 I HN 0.604 nan 8.210 nan 0.000 0.455 279 W N 9.064 130.537 121.300 0.289 0.000 2.647 279 W HA 0.478 5.139 4.660 0.002 0.000 0.328 279 W C -1.358 175.173 176.519 0.020 0.000 1.018 279 W CA -1.833 55.622 57.345 0.183 0.000 1.245 279 W CB 1.417 30.980 29.460 0.172 0.000 1.356 279 W HN 0.369 nan 8.180 nan 0.000 0.443 280 M N 5.656 125.283 119.600 0.046 0.000 2.084 280 M HA 0.237 4.718 4.480 0.001 0.000 0.351 280 M C 0.088 176.200 176.300 -0.313 0.000 1.240 280 M CA -0.314 54.746 55.300 -0.400 0.000 1.083 280 M CB 0.770 32.727 32.600 -1.073 0.000 1.593 280 M HN 0.551 nan 8.290 nan 0.000 0.463 281 E N 3.672 123.581 120.200 -0.486 0.000 2.376 281 E HA 0.169 4.520 4.350 0.001 0.000 0.266 281 E C -1.164 175.270 176.600 -0.276 0.000 1.009 281 E CA 0.374 56.564 56.400 -0.349 0.000 0.902 281 E CB 0.883 30.313 29.700 -0.449 0.000 0.972 281 E HN 0.674 nan 8.360 nan 0.000 0.439 282 T N 2.231 116.633 114.554 -0.253 0.000 2.909 282 T HA 0.345 4.696 4.350 0.001 0.000 0.299 282 T C 0.593 175.166 174.700 -0.212 0.000 1.073 282 T CA -0.013 61.938 62.100 -0.248 0.000 0.999 282 T CB 1.001 69.701 68.868 -0.282 0.000 1.098 282 T HN 0.492 nan 8.240 nan 0.000 0.477 283 S N 2.939 118.529 115.700 -0.183 0.000 2.486 283 S HA 0.259 4.729 4.470 0.001 0.000 0.220 283 S C 0.704 175.153 174.600 -0.251 0.000 1.011 283 S CA 0.032 58.140 58.200 -0.154 0.000 0.921 283 S CB -0.073 63.071 63.200 -0.094 0.000 0.785 283 S HN 0.596 nan 8.310 nan 0.000 0.517 284 K N 2.708 122.917 120.400 -0.318 0.000 2.464 284 K HA 0.417 4.737 4.320 0.001 0.000 0.252 284 K C -3.156 173.090 176.600 -0.589 0.000 1.000 284 K CA -2.528 53.452 56.287 -0.511 0.000 0.951 284 K CB 1.040 33.386 32.500 -0.258 0.000 1.183 284 K HN 0.038 nan 8.250 nan 0.000 0.445 285 P HA -0.046 nan 4.420 nan 0.000 0.258 285 P C -1.242 175.890 177.300 -0.279 0.000 1.187 285 P CA 0.420 63.170 63.100 -0.583 0.000 0.767 285 P CB 0.419 31.307 31.700 -1.353 0.000 0.770 286 D N 3.462 123.893 120.400 0.051 0.000 2.470 286 D HA 0.092 4.733 4.640 0.001 0.000 0.233 286 D C 0.769 177.070 176.300 0.001 0.000 1.372 286 D CA -0.411 53.601 54.000 0.020 0.000 0.994 286 D CB 0.990 41.764 40.800 -0.043 0.000 1.377 286 D HN 0.054 nan 8.370 nan 0.000 0.586 287 L N 2.303 123.502 121.223 -0.040 0.000 2.083 287 L HA -0.110 4.230 4.340 0.001 0.000 0.209 287 L C 2.416 179.229 176.870 -0.095 0.000 1.083 287 L CA 1.521 56.240 54.840 -0.201 0.000 0.752 287 L CB -0.254 41.676 42.059 -0.214 0.000 0.899 287 L HN 0.479 nan 8.230 nan 0.000 0.433 288 A N -0.478 122.322 122.820 -0.033 0.000 1.873 288 A HA -0.280 4.040 4.320 0.001 0.000 0.215 288 A C 2.251 179.851 177.584 0.027 0.000 1.186 288 A CA 1.762 53.798 52.037 -0.002 0.000 0.616 288 A CB -0.600 18.402 19.000 0.004 0.000 0.823 288 A HN 0.472 nan 8.150 nan 0.000 0.442 289 Q N -0.492 119.326 119.800 0.030 0.000 2.084 289 Q HA -0.152 4.188 4.340 0.001 0.000 0.202 289 Q C 2.151 178.228 176.000 0.130 0.000 0.978 289 Q CA 1.674 57.515 55.803 0.063 0.000 0.844 289 Q CB -0.346 28.411 28.738 0.031 0.000 0.898 289 Q HN 0.594 nan 8.270 nan 0.000 0.426 290 A N 1.035 123.917 122.820 0.103 0.000 1.933 290 A HA -0.204 4.117 4.320 0.001 0.000 0.218 290 A C 2.099 179.870 177.584 0.313 0.000 1.175 290 A CA 1.497 53.655 52.037 0.202 0.000 0.628 290 A CB -0.584 18.349 19.000 -0.112 0.000 0.814 290 A HN 0.420 nan 8.150 nan 0.000 0.444 291 R N -0.753 119.839 120.500 0.153 0.000 2.075 291 R HA -0.052 4.288 4.340 0.001 0.000 0.232 291 R C 2.426 178.804 176.300 0.130 0.000 1.126 291 R CA 1.151 57.331 56.100 0.133 0.000 0.963 291 R CB -0.268 30.065 30.300 0.055 0.000 0.858 291 R HN 0.455 nan 8.270 nan 0.000 0.435 292 R N -0.565 120.009 120.500 0.125 0.000 2.103 292 R HA -0.198 4.143 4.340 0.001 0.000 0.242 292 R C 2.121 178.507 176.300 0.143 0.000 1.142 292 R CA 1.935 58.102 56.100 0.112 0.000 0.960 292 R CB -0.364 30.000 30.300 0.107 0.000 0.858 292 R HN 0.256 nan 8.270 nan 0.000 0.439 293 F N 0.649 120.638 119.950 0.064 0.000 2.128 293 F HA -0.055 4.473 4.527 0.001 0.000 0.295 293 F C 2.207 177.996 175.800 -0.019 0.000 1.100 293 F CA 1.225 59.258 58.000 0.054 0.000 1.260 293 F CB -0.389 38.687 39.000 0.125 0.000 1.009 293 F HN -0.027 nan 8.300 nan 0.000 0.476 294 A N 0.259 123.086 122.820 0.012 0.000 1.883 294 A HA -0.223 4.098 4.320 0.001 0.000 0.217 294 A C 2.137 179.523 177.584 -0.330 0.000 1.186 294 A CA 1.995 53.837 52.037 -0.324 0.000 0.624 294 A CB -1.036 17.869 19.000 -0.158 0.000 0.822 294 A HN 0.550 nan 8.150 nan 0.000 0.444 295 E N -0.444 119.713 120.200 -0.072 0.000 2.058 295 E HA -0.171 4.180 4.350 0.001 0.000 0.194 295 E C 2.362 178.929 176.600 -0.056 0.000 0.997 295 E CA 1.113 57.511 56.400 -0.004 0.000 0.801 295 E CB -0.300 29.414 29.700 0.024 0.000 0.746 295 E HN 0.625 nan 8.360 nan 0.000 0.450 296 A N 0.731 123.485 122.820 -0.111 0.000 1.877 296 A HA -0.157 4.164 4.320 0.001 0.000 0.216 296 A C 2.506 179.979 177.584 -0.185 0.000 1.186 296 A CA 1.344 53.308 52.037 -0.121 0.000 0.620 296 A CB -0.754 18.183 19.000 -0.106 0.000 0.822 296 A HN 0.132 nan 8.150 nan 0.000 0.443 297 V N -0.097 119.591 119.914 -0.377 0.000 2.332 297 V HA -0.274 3.847 4.120 0.001 0.000 0.248 297 V C 2.466 178.465 176.094 -0.159 0.000 1.055 297 V CA 2.232 64.310 62.300 -0.370 0.000 1.038 297 V CB -1.111 30.310 31.823 -0.670 0.000 0.651 297 V HN 0.650 nan 8.190 nan 0.000 0.450 298 H N -0.031 118.972 119.070 -0.112 0.000 2.423 298 H HA -0.037 4.520 4.556 0.001 0.000 0.297 298 H C 2.328 177.625 175.328 -0.050 0.000 1.075 298 H CA 0.891 56.903 56.048 -0.059 0.000 1.342 298 H CB -0.207 29.516 29.762 -0.064 0.000 1.395 298 H HN 0.360 nan 8.280 nan 0.000 0.530 299 K N 0.521 120.949 120.400 0.048 0.000 2.034 299 K HA -0.161 4.159 4.320 0.001 0.000 0.214 299 K C 2.157 178.735 176.600 -0.037 0.000 1.051 299 K CA 1.510 57.797 56.287 -0.001 0.000 0.931 299 K CB -0.159 32.329 32.500 -0.020 0.000 0.715 299 K HN 0.280 nan 8.250 nan 0.000 0.446 300 A N 0.155 122.940 122.820 -0.059 0.000 1.935 300 A HA -0.055 4.266 4.320 0.001 0.000 0.214 300 A C 0.571 177.933 177.584 -0.370 0.000 1.178 300 A CA 0.806 52.736 52.037 -0.178 0.000 0.640 300 A CB 0.029 18.959 19.000 -0.116 0.000 0.825 300 A HN 0.292 nan 8.150 nan 0.000 0.447 301 H N -0.219 118.866 119.070 0.025 0.000 2.607 301 H HA 0.245 4.802 4.556 0.001 0.000 0.248 301 H C -2.937 172.457 175.328 0.109 0.000 1.355 301 H CA -1.925 54.153 56.048 0.051 0.000 1.524 301 H CB 0.699 30.488 29.762 0.044 0.000 1.563 301 H HN 0.278 nan 8.280 nan 0.000 0.509 302 P HA 0.007 nan 4.420 nan 0.000 0.266 302 P C 1.130 178.427 177.300 -0.006 0.000 1.195 302 P CA 0.936 64.055 63.100 0.030 0.000 0.768 302 P CB 0.908 32.596 31.700 -0.019 0.000 0.838 303 G N 1.287 109.947 108.800 -0.233 0.000 2.162 303 G HA2 -0.288 3.672 3.960 0.001 0.000 0.260 303 G HA3 -0.288 3.672 3.960 0.001 0.000 0.260 303 G C 0.299 175.210 174.900 0.019 0.000 0.976 303 G CA 0.302 45.301 45.100 -0.168 0.000 0.655 303 G HN 0.697 nan 8.290 nan 0.000 0.533 304 K N 0.957 121.485 120.400 0.214 0.000 2.447 304 K HA 0.414 4.734 4.320 0.001 0.000 0.281 304 K C 0.996 177.717 176.600 0.202 0.000 1.031 304 K CA -0.126 56.292 56.287 0.220 0.000 1.019 304 K CB -0.012 32.603 32.500 0.191 0.000 0.918 304 K HN 0.296 nan 8.250 nan 0.000 0.476 305 L N 6.119 127.394 121.223 0.086 0.000 2.380 305 L HA 0.281 4.621 4.340 0.001 0.000 0.273 305 L C 0.040 176.955 176.870 0.075 0.000 1.138 305 L CA -0.454 54.407 54.840 0.034 0.000 0.832 305 L CB 0.294 42.315 42.059 -0.064 0.000 1.124 305 L HN 0.527 nan 8.230 nan 0.000 0.454 306 L N 2.266 123.516 121.223 0.045 0.000 2.301 306 L HA 0.848 5.189 4.340 0.001 0.000 0.264 306 L C -0.201 176.845 176.870 0.292 0.000 1.016 306 L CA -0.647 54.254 54.840 0.101 0.000 0.821 306 L CB 1.973 43.869 42.059 -0.271 0.000 1.346 306 L HN 0.670 nan 8.230 nan 0.000 0.429 307 A N 0.732 123.815 122.820 0.438 0.000 2.423 307 A HA 0.791 5.112 4.320 0.001 0.000 0.304 307 A C -2.037 175.717 177.584 0.284 0.000 1.104 307 A CA -0.393 51.888 52.037 0.406 0.000 0.757 307 A CB 1.662 20.906 19.000 0.407 0.000 1.313 307 A HN 0.599 nan 8.150 nan 0.000 0.423 308 Y N 1.102 121.244 120.300 -0.262 0.000 2.401 308 Y HA 0.462 5.013 4.550 0.001 0.000 0.330 308 Y C -0.619 174.601 175.900 -1.133 0.000 1.071 308 Y CA -0.781 56.986 58.100 -0.555 0.000 1.049 308 Y CB 1.749 39.897 38.460 -0.520 0.000 1.239 308 Y HN 0.771 nan 8.280 nan 0.000 0.437 309 N N 4.203 122.118 118.700 -1.309 0.000 2.419 309 N HA 0.255 4.996 4.740 0.001 0.000 0.264 309 N C -1.480 173.747 175.510 -0.472 0.000 1.031 309 N CA -0.188 52.079 53.050 -1.306 0.000 0.951 309 N CB 0.607 38.629 38.487 -0.776 0.000 1.101 309 N HN 0.588 nan 8.380 nan 0.000 0.488 310 C N 3.123 122.259 119.300 -0.272 0.000 2.192 310 C HA 0.294 4.755 4.460 0.001 0.000 0.337 310 C C 0.929 176.033 174.990 0.191 0.000 1.103 310 C CA -0.870 58.231 59.018 0.139 0.000 1.581 310 C CB -1.525 26.216 27.740 0.002 0.000 2.070 310 C HN 0.758 nan 8.230 nan 0.000 0.485 311 S N 5.305 121.142 115.700 0.228 0.000 2.575 311 S HA 0.049 4.520 4.470 0.001 0.000 0.295 311 S C -0.460 174.357 174.600 0.361 0.000 1.267 311 S CA -0.526 57.782 58.200 0.179 0.000 1.074 311 S CB 0.640 63.865 63.200 0.043 0.000 0.829 311 S HN 0.666 nan 8.310 nan 0.000 0.497 312 P HA -0.024 nan 4.420 nan 0.000 0.222 312 P C 1.138 178.523 177.300 0.141 0.000 1.153 312 P CA 0.775 63.979 63.100 0.174 0.000 0.798 312 P CB -0.198 31.589 31.700 0.145 0.000 0.796 313 S N -1.271 114.520 115.700 0.153 0.000 2.489 313 S HA -0.023 4.448 4.470 0.001 0.000 0.228 313 S C 0.661 175.308 174.600 0.078 0.000 0.995 313 S CA -0.307 57.956 58.200 0.105 0.000 0.934 313 S CB -1.195 62.062 63.200 0.096 0.000 0.771 313 S HN 0.012 nan 8.310 nan 0.000 0.522 314 F N 3.990 123.877 119.950 -0.105 0.000 2.538 314 F HA 0.274 4.802 4.527 0.002 0.000 0.371 314 F C 0.463 176.085 175.800 -0.297 0.000 1.087 314 F CA -1.329 56.479 58.000 -0.321 0.000 1.250 314 F CB 0.123 38.719 39.000 -0.674 0.000 1.110 314 F HN 0.090 nan 8.300 nan 0.000 0.570 315 N N 5.577 123.740 118.700 -0.895 0.000 2.415 315 N HA 0.046 4.786 4.740 0.001 0.000 0.250 315 N C 0.229 175.175 175.510 -0.941 0.000 1.127 315 N CA -0.498 52.159 53.050 -0.655 0.000 0.945 315 N CB 0.382 38.600 38.487 -0.449 0.000 1.196 315 N HN 0.711 nan 8.380 nan 0.000 0.499 316 W N 2.801 123.799 121.300 -0.504 0.000 2.378 316 W HA -0.033 4.628 4.660 0.001 0.000 0.313 316 W C 2.328 178.703 176.519 -0.241 0.000 1.197 316 W CA 0.582 57.744 57.345 -0.305 0.000 1.304 316 W CB -0.123 29.255 29.460 -0.137 0.000 1.148 316 W HN 0.485 nan 8.180 nan 0.000 0.494 317 K N 0.829 121.238 120.400 0.015 0.000 2.147 317 K HA -0.194 4.126 4.320 0.001 0.000 0.205 317 K C 2.042 178.595 176.600 -0.077 0.000 1.049 317 K CA 1.215 57.490 56.287 -0.020 0.000 0.936 317 K CB -0.219 32.264 32.500 -0.028 0.000 0.722 317 K HN 0.045 nan 8.250 nan 0.000 0.446 318 K N 0.084 120.389 120.400 -0.158 0.000 2.167 318 K HA -0.037 4.284 4.320 0.001 0.000 0.203 318 K C 1.242 177.739 176.600 -0.171 0.000 1.052 318 K CA 0.886 57.074 56.287 -0.165 0.000 0.956 318 K CB 0.196 32.574 32.500 -0.204 0.000 0.735 318 K HN 0.171 nan 8.250 nan 0.000 0.451 319 N N -0.232 118.314 118.700 -0.257 0.000 2.250 319 N HA 0.115 4.856 4.740 0.001 0.000 0.190 319 N C -0.219 175.292 175.510 0.001 0.000 1.116 319 N CA 0.219 53.178 53.050 -0.152 0.000 0.881 319 N CB 0.986 39.320 38.487 -0.255 0.000 1.006 319 N HN 0.050 nan 8.380 nan 0.000 0.491 320 L N 1.445 122.675 121.223 0.011 0.000 2.401 320 L HA 0.282 4.622 4.340 0.001 0.000 0.266 320 L C -0.830 176.078 176.870 0.063 0.000 0.991 320 L CA -1.180 53.710 54.840 0.084 0.000 0.818 320 L CB 2.207 44.367 42.059 0.169 0.000 1.321 320 L HN -0.015 nan 8.230 nan 0.000 0.413 321 D N -0.612 119.824 120.400 0.059 0.000 2.357 321 D HA 0.032 4.673 4.640 0.001 0.000 0.242 321 D C 0.367 176.699 176.300 0.053 0.000 1.153 321 D CA -0.376 53.650 54.000 0.042 0.000 0.918 321 D CB 0.847 41.666 40.800 0.031 0.000 1.181 321 D HN 0.386 nan 8.370 nan 0.000 0.435 322 D N 0.399 120.819 120.400 0.034 0.000 2.190 322 D HA -0.157 4.484 4.640 0.001 0.000 0.200 322 D C 1.911 178.232 176.300 0.036 0.000 0.992 322 D CA 1.942 55.960 54.000 0.029 0.000 0.854 322 D CB -0.346 40.461 40.800 0.012 0.000 0.936 322 D HN 0.561 nan 8.370 nan 0.000 0.462 323 A N -0.267 122.575 122.820 0.037 0.000 1.897 323 A HA -0.099 4.222 4.320 0.001 0.000 0.215 323 A C 2.321 179.940 177.584 0.058 0.000 1.181 323 A CA 1.677 53.736 52.037 0.036 0.000 0.620 323 A CB -0.717 18.299 19.000 0.027 0.000 0.821 323 A HN 0.189 nan 8.150 nan 0.000 0.443 324 T N 0.627 115.230 114.554 0.082 0.000 2.746 324 T HA -0.111 4.240 4.350 0.001 0.000 0.267 324 T C 1.787 176.612 174.700 0.208 0.000 1.039 324 T CA 1.590 63.772 62.100 0.137 0.000 1.142 324 T CB -0.440 68.520 68.868 0.153 0.000 0.866 324 T HN 0.422 nan 8.240 nan 0.000 0.444 325 I N 1.411 122.081 120.570 0.166 0.000 2.179 325 I HA -0.196 3.975 4.170 0.001 0.000 0.242 325 I C 2.956 179.116 176.117 0.071 0.000 1.088 325 I CA 1.197 62.579 61.300 0.137 0.000 1.357 325 I CB -0.536 37.515 38.000 0.086 0.000 1.051 325 I HN 0.191 nan 8.210 nan 0.000 0.409 326 A N 1.679 124.527 122.820 0.046 0.000 1.908 326 A HA -0.247 4.073 4.320 0.001 0.000 0.218 326 A C 2.267 179.868 177.584 0.028 0.000 1.181 326 A CA 2.205 54.255 52.037 0.020 0.000 0.627 326 A CB -0.568 18.441 19.000 0.015 0.000 0.818 326 A HN 0.597 nan 8.150 nan 0.000 0.445 327 K N -2.187 118.239 120.400 0.043 0.000 2.393 327 K HA 0.142 4.463 4.320 0.001 0.000 0.193 327 K C 1.546 178.129 176.600 -0.029 0.000 1.026 327 K CA 0.359 56.650 56.287 0.006 0.000 1.064 327 K CB -0.332 32.165 32.500 -0.005 0.000 0.833 327 K HN 0.235 nan 8.250 nan 0.000 0.521 328 F N 2.917 122.796 119.950 -0.119 0.000 2.043 328 F HA -0.245 4.283 4.527 0.001 0.000 0.297 328 F C 2.388 178.000 175.800 -0.314 0.000 1.121 328 F CA 1.998 59.899 58.000 -0.165 0.000 1.199 328 F CB -0.059 38.897 39.000 -0.073 0.000 0.968 328 F HN 0.092 nan 8.300 nan 0.000 0.478 329 Q N -0.379 119.296 119.800 -0.208 0.000 2.083 329 Q HA -0.164 4.177 4.340 0.001 0.000 0.198 329 Q C 2.301 177.727 176.000 -0.957 0.000 0.969 329 Q CA 1.424 56.880 55.803 -0.578 0.000 0.838 329 Q CB -0.234 28.228 28.738 -0.461 0.000 0.900 329 Q HN 0.468 nan 8.270 nan 0.000 0.436 330 R N 0.621 120.793 120.500 -0.546 0.000 2.083 330 R HA -0.150 4.190 4.340 0.001 0.000 0.237 330 R C 2.140 178.274 176.300 -0.277 0.000 1.137 330 R CA 1.143 57.071 56.100 -0.287 0.000 0.951 330 R CB -0.182 30.115 30.300 -0.005 0.000 0.851 330 R HN 0.245 nan 8.270 nan 0.000 0.434 331 E N 1.026 121.047 120.200 -0.298 0.000 2.051 331 E HA -0.168 4.183 4.350 0.001 0.000 0.192 331 E C 2.214 178.632 176.600 -0.303 0.000 0.991 331 E CA 1.118 57.356 56.400 -0.270 0.000 0.799 331 E CB -0.231 29.283 29.700 -0.310 0.000 0.748 331 E HN 0.343 nan 8.360 nan 0.000 0.449 332 L N 0.238 121.163 121.223 -0.497 0.000 2.042 332 L HA -0.160 4.180 4.340 0.001 0.000 0.210 332 L C 2.586 179.392 176.870 -0.106 0.000 1.076 332 L CA 1.415 56.017 54.840 -0.398 0.000 0.749 332 L CB -0.952 40.637 42.059 -0.783 0.000 0.893 332 L HN 0.206 nan 8.230 nan 0.000 0.432 333 G N -0.306 108.331 108.800 -0.272 0.000 2.469 333 G HA2 -0.282 3.679 3.960 0.001 0.000 0.219 333 G HA3 -0.282 3.679 3.960 0.001 0.000 0.219 333 G C 1.713 176.640 174.900 0.045 0.000 1.150 333 G CA 0.868 45.945 45.100 -0.039 0.000 0.763 333 G HN 0.496 nan 8.290 nan 0.000 0.561 334 A N 0.227 123.047 122.820 -0.001 0.000 2.066 334 A HA 0.211 4.532 4.320 0.001 0.000 0.218 334 A C 2.349 179.944 177.584 0.019 0.000 1.157 334 A CA 1.329 53.373 52.037 0.011 0.000 0.670 334 A CB -0.248 18.747 19.000 -0.009 0.000 0.804 334 A HN 0.414 nan 8.150 nan 0.000 0.453 335 M N -1.758 117.870 119.600 0.046 0.000 2.506 335 M HA 0.162 4.643 4.480 0.001 0.000 0.260 335 M C 1.371 177.700 176.300 0.048 0.000 1.104 335 M CA 1.020 56.367 55.300 0.079 0.000 1.112 335 M CB 0.313 33.017 32.600 0.173 0.000 1.401 335 M HN 0.589 nan 8.290 nan 0.000 0.473 336 G N -0.512 108.301 108.800 0.022 0.000 2.183 336 G HA2 -0.202 3.758 3.960 0.001 0.000 0.168 336 G HA3 -0.202 3.758 3.960 0.001 0.000 0.168 336 G C -0.462 174.383 174.900 -0.091 0.000 1.008 336 G CA -0.781 44.313 45.100 -0.010 0.000 0.677 336 G HN 0.406 nan 8.290 nan 0.000 0.498 337 Y N 1.886 122.220 120.300 0.057 0.000 2.594 337 Y HA 0.387 4.938 4.550 0.002 0.000 0.344 337 Y C 1.684 177.629 175.900 0.075 0.000 1.185 337 Y CA -0.281 57.856 58.100 0.061 0.000 1.565 337 Y CB 0.736 39.183 38.460 -0.021 0.000 1.415 337 Y HN -0.068 nan 8.280 nan 0.000 0.488 338 K N 1.543 122.067 120.400 0.206 0.000 2.365 338 K HA 0.020 4.341 4.320 0.001 0.000 0.197 338 K C -0.351 176.439 176.600 0.316 0.000 1.042 338 K CA 0.368 56.776 56.287 0.203 0.000 0.987 338 K CB 0.176 32.710 32.500 0.057 0.000 0.779 338 K HN 0.414 nan 8.250 nan 0.000 0.484 339 F N 1.809 121.864 119.950 0.176 0.000 2.499 339 F HA 0.283 4.812 4.527 0.002 0.000 0.333 339 F C -0.904 175.030 175.800 0.223 0.000 1.138 339 F CA -0.716 57.402 58.000 0.197 0.000 0.945 339 F CB 1.153 40.255 39.000 0.171 0.000 1.181 339 F HN -0.184 nan 8.300 nan 0.000 0.435 340 Q N 6.283 125.865 119.800 -0.363 0.000 2.394 340 Q HA 0.679 5.019 4.340 0.001 0.000 0.273 340 Q C -1.635 174.093 176.000 -0.452 0.000 1.089 340 Q CA -0.973 54.621 55.803 -0.349 0.000 0.812 340 Q CB 3.265 31.882 28.738 -0.202 0.000 1.353 340 Q HN 0.616 nan 8.270 nan 0.000 0.438 341 F N -1.450 118.186 119.950 -0.524 0.000 2.678 341 F HA 0.637 5.165 4.527 0.001 0.000 0.308 341 F C -1.566 174.024 175.800 -0.349 0.000 1.118 341 F CA -1.260 56.436 58.000 -0.506 0.000 0.959 341 F CB 0.924 39.484 39.000 -0.733 0.000 1.305 341 F HN 0.324 nan 8.300 nan 0.000 0.443 342 I N 2.481 122.995 120.570 -0.094 0.000 2.328 342 I HA 0.233 4.403 4.170 0.001 0.000 0.287 342 I C 1.006 177.181 176.117 0.097 0.000 1.012 342 I CA -0.482 60.787 61.300 -0.052 0.000 1.195 342 I CB 1.917 39.891 38.000 -0.043 0.000 1.350 342 I HN 0.951 nan 8.210 nan 0.000 0.464 343 T N 3.547 118.173 114.554 0.119 0.000 2.708 343 T HA -0.099 4.251 4.350 0.001 0.000 0.266 343 T C 1.150 176.052 174.700 0.336 0.000 1.037 343 T CA 1.125 63.392 62.100 0.279 0.000 1.146 343 T CB -0.097 68.965 68.868 0.323 0.000 0.865 343 T HN 0.495 nan 8.240 nan 0.000 0.435 344 L N 0.897 122.290 121.223 0.282 0.000 2.848 344 L HA 0.509 4.850 4.340 0.001 0.000 0.240 344 L C 2.423 179.537 176.870 0.406 0.000 1.232 344 L CA -0.155 54.878 54.840 0.322 0.000 1.031 344 L CB -0.296 41.928 42.059 0.274 0.000 1.338 344 L HN 0.339 nan 8.230 nan 0.000 0.509 345 A N 0.448 123.448 122.820 0.300 0.000 1.902 345 A HA -0.090 4.230 4.320 0.001 0.000 0.217 345 A C 2.316 180.049 177.584 0.249 0.000 1.181 345 A CA 1.763 53.946 52.037 0.243 0.000 0.623 345 A CB -0.715 18.372 19.000 0.145 0.000 0.818 345 A HN 0.464 nan 8.150 nan 0.000 0.443 346 G N -1.194 107.748 108.800 0.237 0.000 2.440 346 G HA2 -0.250 3.711 3.960 0.001 0.000 0.218 346 G HA3 -0.250 3.711 3.960 0.001 0.000 0.218 346 G C 1.471 176.497 174.900 0.211 0.000 1.154 346 G CA 1.161 46.381 45.100 0.200 0.000 0.767 346 G HN 0.491 nan 8.290 nan 0.000 0.552 347 F N 1.100 121.102 119.950 0.088 0.000 2.095 347 F HA -0.143 4.385 4.527 0.002 0.000 0.298 347 F C 2.733 178.518 175.800 -0.025 0.000 1.104 347 F CA 2.122 60.125 58.000 0.006 0.000 1.232 347 F CB -0.216 38.751 39.000 -0.056 0.000 0.987 347 F HN 0.203 nan 8.300 nan 0.000 0.475 348 H N -0.927 118.265 119.070 0.203 0.000 2.395 348 H HA -0.120 4.437 4.556 0.001 0.000 0.299 348 H C 2.109 177.463 175.328 0.044 0.000 1.070 348 H CA 1.597 57.694 56.048 0.082 0.000 1.356 348 H CB -0.349 29.498 29.762 0.141 0.000 1.401 348 H HN 0.336 nan 8.280 nan 0.000 0.524 349 Q N 1.393 121.303 119.800 0.183 0.000 2.046 349 Q HA -0.081 4.260 4.340 0.001 0.000 0.200 349 Q C 2.508 178.573 176.000 0.107 0.000 0.975 349 Q CA 1.088 56.980 55.803 0.148 0.000 0.836 349 Q CB -0.595 28.216 28.738 0.123 0.000 0.896 349 Q HN 0.456 nan 8.270 nan 0.000 0.428 350 L N 0.254 121.503 121.223 0.043 0.000 1.989 350 L HA -0.251 4.090 4.340 0.001 0.000 0.211 350 L C 1.895 178.737 176.870 -0.047 0.000 1.071 350 L CA 1.922 56.758 54.840 -0.007 0.000 0.749 350 L CB -0.484 41.558 42.059 -0.029 0.000 0.890 350 L HN 0.312 nan 8.230 nan 0.000 0.431 351 N N -1.128 117.484 118.700 -0.147 0.000 2.142 351 N HA -0.247 4.494 4.740 0.001 0.000 0.186 351 N C 1.814 177.337 175.510 0.022 0.000 1.023 351 N CA 1.745 54.700 53.050 -0.158 0.000 0.852 351 N CB -0.403 37.836 38.487 -0.413 0.000 0.998 351 N HN 0.483 nan 8.380 nan 0.000 0.424 352 Y N 1.591 121.874 120.300 -0.028 0.000 2.163 352 Y HA -0.050 4.499 4.550 -0.002 0.000 0.288 352 Y C 2.399 178.353 175.900 0.089 0.000 1.136 352 Y CA 1.832 59.961 58.100 0.048 0.000 1.147 352 Y CB -0.725 37.760 38.460 0.041 0.000 0.987 352 Y HN -0.029 nan 8.280 nan 0.000 0.509 353 G N 0.201 109.004 108.800 0.006 0.000 2.418 353 G HA2 -0.310 3.650 3.960 0.001 0.000 0.217 353 G HA3 -0.310 3.650 3.960 0.001 0.000 0.217 353 G C 1.567 176.398 174.900 -0.115 0.000 1.158 353 G CA 1.202 46.251 45.100 -0.085 0.000 0.771 353 G HN 0.442 nan 8.290 nan 0.000 0.545 354 M N -0.185 119.382 119.600 -0.055 0.000 2.156 354 M HA 0.212 4.692 4.480 0.001 0.000 0.264 354 M C 2.078 178.344 176.300 -0.057 0.000 1.067 354 M CA 0.734 56.002 55.300 -0.053 0.000 1.131 354 M CB -0.784 31.798 32.600 -0.030 0.000 1.368 354 M HN 0.187 nan 8.290 nan 0.000 0.416 355 F N 1.099 120.958 119.950 -0.152 0.000 2.091 355 F HA -0.266 4.260 4.527 -0.001 0.000 0.299 355 F C 2.064 177.761 175.800 -0.172 0.000 1.103 355 F CA 2.124 60.039 58.000 -0.141 0.000 1.228 355 F CB -0.329 38.596 39.000 -0.125 0.000 0.984 355 F HN 0.193 nan 8.300 nan 0.000 0.477 356 E N 0.200 120.270 120.200 -0.217 0.000 2.047 356 E HA -0.189 4.161 4.350 0.001 0.000 0.191 356 E C 2.235 178.703 176.600 -0.220 0.000 0.987 356 E CA 1.123 57.357 56.400 -0.276 0.000 0.799 356 E CB -1.050 28.411 29.700 -0.398 0.000 0.752 356 E HN 0.415 nan 8.360 nan 0.000 0.449 357 L N 1.204 122.322 121.223 -0.176 0.000 1.990 357 L HA -0.180 4.160 4.340 0.001 0.000 0.213 357 L C 2.220 179.035 176.870 -0.091 0.000 1.072 357 L CA 2.365 57.139 54.840 -0.111 0.000 0.755 357 L CB -0.901 41.103 42.059 -0.093 0.000 0.889 357 L HN 0.074 nan 8.230 nan 0.000 0.432 358 A N -1.062 121.671 122.820 -0.145 0.000 1.933 358 A HA -0.171 4.149 4.320 0.001 0.000 0.218 358 A C 2.345 179.847 177.584 -0.136 0.000 1.175 358 A CA 1.301 53.275 52.037 -0.105 0.000 0.628 358 A CB -0.508 18.404 19.000 -0.147 0.000 0.814 358 A HN 0.396 nan 8.150 nan 0.000 0.444 359 R N -0.439 119.869 120.500 -0.319 0.000 2.083 359 R HA -0.125 4.215 4.340 0.001 0.000 0.237 359 R C 2.368 178.589 176.300 -0.131 0.000 1.137 359 R CA 1.517 57.437 56.100 -0.301 0.000 0.951 359 R CB -1.514 28.524 30.300 -0.437 0.000 0.851 359 R HN 0.531 nan 8.270 nan 0.000 0.434 360 G N -0.909 107.840 108.800 -0.085 0.000 2.402 360 G HA2 -0.300 3.661 3.960 0.001 0.000 0.216 360 G HA3 -0.300 3.661 3.960 0.001 0.000 0.216 360 G C 1.572 176.497 174.900 0.042 0.000 1.162 360 G CA 0.556 45.643 45.100 -0.021 0.000 0.777 360 G HN 0.412 nan 8.290 nan 0.000 0.539 361 Y N 1.120 121.375 120.300 -0.074 0.000 2.128 361 Y HA -0.146 4.404 4.550 -0.000 0.000 0.284 361 Y C 2.914 178.780 175.900 -0.056 0.000 1.154 361 Y CA 2.180 60.251 58.100 -0.049 0.000 1.149 361 Y CB -0.032 38.399 38.460 -0.048 0.000 0.976 361 Y HN 0.162 nan 8.280 nan 0.000 0.505 362 K N 0.081 120.455 120.400 -0.042 0.000 2.063 362 K HA -0.287 4.034 4.320 0.001 0.000 0.208 362 K C 1.732 178.257 176.600 -0.125 0.000 1.048 362 K CA 2.223 58.437 56.287 -0.122 0.000 0.928 362 K CB -0.366 32.085 32.500 -0.082 0.000 0.713 362 K HN 0.479 nan 8.250 nan 0.000 0.442 363 D N -0.373 119.975 120.400 -0.086 0.000 2.137 363 D HA -0.124 4.516 4.640 0.001 0.000 0.202 363 D C 1.401 177.658 176.300 -0.071 0.000 0.970 363 D CA 1.023 54.982 54.000 -0.069 0.000 0.837 363 D CB 0.231 41.002 40.800 -0.049 0.000 0.981 363 D HN 0.314 nan 8.370 nan 0.000 0.475 364 R N -1.070 119.390 120.500 -0.066 0.000 2.569 364 R HA 0.278 4.618 4.340 0.001 0.000 0.422 364 R C 0.203 176.471 176.300 -0.054 0.000 0.980 364 R CA -0.353 55.717 56.100 -0.050 0.000 1.164 364 R CB 0.103 30.392 30.300 -0.019 0.000 1.520 364 R HN -0.095 nan 8.270 nan 0.000 0.567 365 Q N 0.199 119.914 119.800 -0.142 0.000 1.802 365 Q HA -0.276 4.065 4.340 0.001 0.000 0.387 365 Q C 1.086 177.141 176.000 0.092 0.000 0.822 365 Q CA 2.327 57.996 55.803 -0.223 0.000 0.840 365 Q CB -1.183 27.416 28.738 -0.231 0.000 3.553 365 Q HN 0.170 nan 8.270 nan 0.000 0.735 366 M N -0.282 119.381 119.600 0.104 0.000 2.267 366 M HA -0.075 4.405 4.480 0.001 0.000 0.263 366 M C 2.040 178.439 176.300 0.165 0.000 1.063 366 M CA 2.142 57.554 55.300 0.187 0.000 1.090 366 M CB -1.709 30.970 32.600 0.132 0.000 1.392 366 M HN 0.616 nan 8.290 nan 0.000 0.422 367 A N 0.405 123.282 122.820 0.094 0.000 1.892 367 A HA -0.101 4.220 4.320 0.001 0.000 0.218 367 A C 2.479 180.102 177.584 0.065 0.000 1.188 367 A CA 2.445 54.520 52.037 0.063 0.000 0.631 367 A CB -1.000 18.019 19.000 0.031 0.000 0.822 367 A HN 0.483 nan 8.150 nan 0.000 0.447 368 A N -1.746 121.130 122.820 0.094 0.000 1.908 368 A HA -0.138 4.183 4.320 0.001 0.000 0.218 368 A C 2.180 179.811 177.584 0.077 0.000 1.181 368 A CA 1.779 53.866 52.037 0.083 0.000 0.627 368 A CB -0.789 18.284 19.000 0.122 0.000 0.818 368 A HN 0.788 nan 8.150 nan 0.000 0.445 369 Y N 0.371 120.696 120.300 0.042 0.000 2.263 369 Y HA -0.091 4.461 4.550 0.004 0.000 0.292 369 Y C 2.847 178.728 175.900 -0.032 0.000 1.130 369 Y CA 1.488 59.579 58.100 -0.015 0.000 1.179 369 Y CB -0.421 38.030 38.460 -0.014 0.000 0.998 369 Y HN 0.309 nan 8.280 nan 0.000 0.532 370 S N -0.093 115.578 115.700 -0.049 0.000 2.399 370 S HA -0.216 4.254 4.470 0.001 0.000 0.231 370 S C 1.810 176.298 174.600 -0.187 0.000 1.022 370 S CA 1.730 59.863 58.200 -0.112 0.000 0.983 370 S CB -0.338 62.880 63.200 0.030 0.000 0.803 370 S HN 0.694 nan 8.310 nan 0.000 0.480 371 E N 0.313 120.430 120.200 -0.139 0.000 2.077 371 E HA -0.135 4.216 4.350 0.001 0.000 0.193 371 E C 2.040 178.514 176.600 -0.210 0.000 0.989 371 E CA 1.321 57.643 56.400 -0.129 0.000 0.800 371 E CB -0.284 29.370 29.700 -0.076 0.000 0.746 371 E HN 0.419 nan 8.360 nan 0.000 0.452 372 L N 1.437 122.485 121.223 -0.292 0.000 1.989 372 L HA -0.268 4.073 4.340 0.001 0.000 0.211 372 L C 2.439 179.031 176.870 -0.462 0.000 1.071 372 L CA 2.020 56.651 54.840 -0.349 0.000 0.749 372 L CB -0.677 41.160 42.059 -0.371 0.000 0.890 372 L HN 0.100 nan 8.230 nan 0.000 0.431 373 Q N -1.323 118.064 119.800 -0.689 0.000 2.077 373 Q HA -0.282 4.059 4.340 0.001 0.000 0.206 373 Q C 2.182 177.729 176.000 -0.755 0.000 0.989 373 Q CA 2.116 57.458 55.803 -0.768 0.000 0.853 373 Q CB -0.118 28.179 28.738 -0.736 0.000 0.907 373 Q HN 0.587 nan 8.270 nan 0.000 0.418 374 Q N -0.416 119.154 119.800 -0.383 0.000 2.124 374 Q HA -0.110 4.231 4.340 0.001 0.000 0.202 374 Q C 1.980 177.907 176.000 -0.121 0.000 0.977 374 Q CA 1.422 57.149 55.803 -0.128 0.000 0.850 374 Q CB -0.430 28.297 28.738 -0.019 0.000 0.901 374 Q HN 0.510 nan 8.270 nan 0.000 0.429 375 A N 1.092 123.801 122.820 -0.186 0.000 1.902 375 A HA -0.204 4.117 4.320 0.001 0.000 0.217 375 A C 2.009 179.468 177.584 -0.209 0.000 1.181 375 A CA 1.484 53.423 52.037 -0.164 0.000 0.623 375 A CB -0.421 18.477 19.000 -0.170 0.000 0.818 375 A HN 0.393 nan 8.150 nan 0.000 0.443 376 E N -1.026 118.989 120.200 -0.307 0.000 2.077 376 E HA -0.181 4.170 4.350 0.001 0.000 0.193 376 E C 1.705 178.312 176.600 0.011 0.000 0.989 376 E CA 1.333 57.570 56.400 -0.271 0.000 0.800 376 E CB -0.298 29.274 29.700 -0.214 0.000 0.746 376 E HN 0.661 nan 8.360 nan 0.000 0.452 377 F N 0.791 120.761 119.950 0.033 0.000 2.102 377 F HA -0.116 4.410 4.527 -0.001 0.000 0.298 377 F C 2.468 178.290 175.800 0.036 0.000 1.105 377 F CA 0.933 58.965 58.000 0.052 0.000 1.239 377 F CB -1.201 37.813 39.000 0.025 0.000 0.991 377 F HN -0.009 nan 8.300 nan 0.000 0.474 378 A N -0.039 122.888 122.820 0.177 0.000 1.978 378 A HA -0.044 4.277 4.320 0.001 0.000 0.220 378 A C 2.374 179.995 177.584 0.063 0.000 1.170 378 A CA 1.757 53.848 52.037 0.091 0.000 0.636 378 A CB -1.198 17.823 19.000 0.036 0.000 0.810 378 A HN 0.298 nan 8.150 nan 0.000 0.448 379 A N -0.409 122.430 122.820 0.033 0.000 2.119 379 A HA -0.022 4.299 4.320 0.001 0.000 0.216 379 A C 1.745 179.422 177.584 0.154 0.000 1.152 379 A CA 1.079 53.128 52.037 0.020 0.000 0.708 379 A CB -0.389 18.498 19.000 -0.188 0.000 0.805 379 A HN 0.636 nan 8.150 nan 0.000 0.460 380 E N 0.164 120.497 120.200 0.221 0.000 2.160 380 E HA -0.194 4.156 4.350 0.001 0.000 0.195 380 E C 2.221 178.904 176.600 0.139 0.000 0.991 380 E CA 0.932 57.468 56.400 0.226 0.000 0.810 380 E CB -0.289 29.544 29.700 0.221 0.000 0.742 380 E HN 0.657 nan 8.360 nan 0.000 0.466 381 A N 1.792 124.674 122.820 0.104 0.000 1.940 381 A HA -0.193 4.127 4.320 0.001 0.000 0.219 381 A C 1.527 179.149 177.584 0.063 0.000 1.176 381 A CA 1.542 53.620 52.037 0.069 0.000 0.631 381 A CB -0.151 18.880 19.000 0.051 0.000 0.814 381 A HN 0.078 nan 8.150 nan 0.000 0.446 382 D N -1.385 119.058 120.400 0.073 0.000 2.319 382 D HA 0.301 4.941 4.640 0.001 0.000 0.230 382 D C 1.207 177.557 176.300 0.083 0.000 1.094 382 D CA 0.999 55.036 54.000 0.062 0.000 0.856 382 D CB 0.114 40.943 40.800 0.049 0.000 0.915 382 D HN 0.622 nan 8.370 nan 0.000 0.517 383 G N 0.804 109.667 108.800 0.105 0.000 2.159 383 G HA2 -0.292 3.669 3.960 0.001 0.000 0.227 383 G HA3 -0.292 3.669 3.960 0.001 0.000 0.227 383 G C 0.055 175.047 174.900 0.153 0.000 0.986 383 G CA -0.395 44.768 45.100 0.104 0.000 0.651 383 G HN 0.373 nan 8.290 nan 0.000 0.523 384 Y N 2.085 122.418 120.300 0.054 0.000 2.511 384 Y HA 0.417 4.970 4.550 0.004 0.000 0.332 384 Y C 1.687 177.631 175.900 0.073 0.000 1.177 384 Y CA 1.407 59.543 58.100 0.060 0.000 1.422 384 Y CB 1.315 39.803 38.460 0.047 0.000 1.271 384 Y HN 0.343 nan 8.280 nan 0.000 0.550 385 T N 0.884 115.143 114.554 -0.492 0.000 3.016 385 T HA 0.264 4.615 4.350 0.001 0.000 0.271 385 T C 1.090 175.529 174.700 -0.436 0.000 0.968 385 T CA 0.257 62.167 62.100 -0.317 0.000 0.891 385 T CB -0.206 68.586 68.868 -0.127 0.000 1.149 385 T HN 0.620 nan 8.240 nan 0.000 0.524 386 A N 2.059 124.341 122.820 -0.898 0.000 2.233 386 A HA 0.509 4.829 4.320 0.001 0.000 0.230 386 A C 0.969 178.451 177.584 -0.169 0.000 1.347 386 A CA 0.345 52.102 52.037 -0.466 0.000 1.087 386 A CB -1.280 17.503 19.000 -0.362 0.000 0.871 386 A HN 0.763 nan 8.150 nan 0.000 0.519 397 Y N 1.371 121.629 120.300 -0.070 0.000 2.145 397 Y HA 0.145 4.696 4.550 0.001 0.000 0.286 397 Y C 2.375 178.160 175.900 -0.192 0.000 1.145 397 Y CA 2.116 60.103 58.100 -0.189 0.000 1.148 397 Y CB -0.296 37.955 38.460 -0.349 0.000 0.981 397 Y HN 0.178 nan 8.280 nan 0.000 0.507 398 F N 0.490 120.457 119.950 0.028 0.000 2.293 398 F HA -0.199 4.328 4.527 0.001 0.000 0.300 398 F C 2.118 177.866 175.800 -0.087 0.000 1.086 398 F CA 1.230 59.198 58.000 -0.052 0.000 1.375 398 F CB -0.273 38.752 39.000 0.042 0.000 1.045 398 F HN 0.108 nan 8.300 nan 0.000 0.516 399 D N 0.327 120.784 120.400 0.095 0.000 2.097 399 D HA -0.158 4.482 4.640 0.001 0.000 0.195 399 D C 2.340 178.617 176.300 -0.039 0.000 0.989 399 D CA 1.484 55.502 54.000 0.031 0.000 0.827 399 D CB -0.448 40.371 40.800 0.031 0.000 0.966 399 D HN 0.259 nan 8.370 nan 0.000 0.456 400 A N 0.443 123.196 122.820 -0.111 0.000 2.014 400 A HA -0.045 4.276 4.320 0.001 0.000 0.218 400 A C 2.466 179.927 177.584 -0.205 0.000 1.163 400 A CA 0.664 52.609 52.037 -0.154 0.000 0.652 400 A CB -0.347 18.546 19.000 -0.179 0.000 0.808 400 A HN 0.120 nan 8.150 nan 0.000 0.449 401 V N -0.108 119.635 119.914 -0.285 0.000 2.244 401 V HA -0.209 3.911 4.120 0.001 0.000 0.244 401 V C 2.745 178.791 176.094 -0.079 0.000 1.042 401 V CA 2.250 64.415 62.300 -0.226 0.000 1.006 401 V CB -1.024 30.655 31.823 -0.239 0.000 0.641 401 V HN 0.554 nan 8.190 nan 0.000 0.446 402 S N 0.396 116.081 115.700 -0.024 0.000 2.372 402 S HA -0.237 4.233 4.470 0.001 0.000 0.227 402 S C 1.973 176.563 174.600 -0.018 0.000 1.044 402 S CA 1.783 59.982 58.200 -0.002 0.000 1.050 402 S CB -0.559 62.651 63.200 0.015 0.000 0.901 402 S HN 0.405 nan 8.310 nan 0.000 0.447 403 L N 1.506 122.710 121.223 -0.031 0.000 2.012 403 L HA -0.140 4.201 4.340 0.001 0.000 0.210 403 L C 2.585 179.435 176.870 -0.032 0.000 1.073 403 L CA 2.214 57.036 54.840 -0.030 0.000 0.748 403 L CB -1.540 40.498 42.059 -0.035 0.000 0.891 403 L HN 0.371 nan 8.230 nan 0.000 0.431 404 A N -0.075 122.717 122.820 -0.047 0.000 1.933 404 A HA -0.204 4.117 4.320 0.001 0.000 0.218 404 A C 2.167 179.735 177.584 -0.027 0.000 1.175 404 A CA 1.718 53.730 52.037 -0.042 0.000 0.628 404 A CB -0.497 18.466 19.000 -0.062 0.000 0.814 404 A HN 0.496 nan 8.150 nan 0.000 0.444 405 I N 0.093 120.650 120.570 -0.023 0.000 2.133 405 I HA -0.095 4.076 4.170 0.001 0.000 0.238 405 I C 2.064 178.176 176.117 -0.008 0.000 1.074 405 I CA 1.386 62.679 61.300 -0.011 0.000 1.342 405 I CB -0.755 37.243 38.000 -0.003 0.000 1.053 405 I HN 0.353 nan 8.210 nan 0.000 0.404 406 T N 1.869 116.418 114.554 -0.009 0.000 3.842 406 T HA 0.482 4.833 4.350 0.001 0.000 0.267 406 T C 0.501 175.196 174.700 -0.008 0.000 1.173 406 T CA -0.139 61.957 62.100 -0.007 0.000 1.142 406 T CB -1.095 nan 68.868 nan 0.000 1.191 406 T HN 0.337 nan 8.240 nan 0.000 0.895 407 G N 0.000 108.795 108.800 -0.008 0.000 5.446 407 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 407 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 407 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 407 G HN 0.000 nan 8.290 nan 0.000 0.925