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 3cgb_1_A DATA FIRST_RESID 2 DATA SEQUENCE NYVIIGGDAA GXSAAXQIVR NDENANVVTL EKGEIYSYAQ CGLPYVISGA DATA SEQUENCE IASTEKLIAR NVKTFRDKYG IDAKVRHEVT KVDTEKKIVY AEHTKTKDVF DATA SEQUENCE EFSYDRLLIA TGVRPVXPEW EGRDLQGVHL LKTIPDAERI LKTLETNKVE DATA SEQUENCE DVTIIGGGAI GLEXAETFVE LGKKVRXIER NDHIGTIYDG DXAEYIYKEA DATA SEQUENCE DKHHIEILTN ENVKAFKGNE RVEAVETDKG TYKADLVLVS VGVKPNTDFL DATA SEQUENCE EGTNIRTNHK GAIEVNAYXQ TNVQDVYAAG DCATHYHVIK EIHDHIPIGT DATA SEQUENCE TANKQGRLAG LNXLDKRRAF KGTLGTGIIK FXNLTLARTG LNEKEAKGLH DATA SEQUENCE IPYKTVKVDS TNXAGYYPNA KPLYLKLLYR SDTKQLLGGQ VIGEEGVDKR DATA SEQUENCE IDVIAXALFN KXSIHDLEDV DLSYAPPYNS VWDPIQQAAR RAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.373 175.510 -0.228 0.000 1.280 2 N CA 0.000 52.959 53.050 -0.152 0.000 0.885 2 N CB 0.000 38.469 38.487 -0.031 0.000 1.341 3 Y N 0.337 120.666 120.300 0.048 0.000 2.331 3 Y HA 0.561 5.111 4.550 -0.000 0.000 0.338 3 Y C 0.506 176.411 175.900 0.009 0.000 0.992 3 Y CA -0.843 57.270 58.100 0.022 0.000 1.121 3 Y CB 1.554 39.997 38.460 -0.029 0.000 1.184 3 Y HN 0.107 nan 8.280 nan 0.000 0.469 4 V N 5.667 125.665 119.914 0.140 0.000 2.459 4 V HA 0.465 4.585 4.120 -0.000 0.000 0.295 4 V C -0.252 175.828 176.094 -0.023 0.000 1.029 4 V CA -0.875 61.447 62.300 0.037 0.000 0.874 4 V CB 1.645 33.502 31.823 0.056 0.000 0.985 4 V HN 0.604 nan 8.190 nan 0.000 0.438 5 I N 5.452 125.985 120.570 -0.062 0.000 2.436 5 I HA 0.508 4.678 4.170 -0.000 0.000 0.289 5 I C -0.689 175.369 176.117 -0.098 0.000 1.010 5 I CA -0.431 60.823 61.300 -0.076 0.000 1.098 5 I CB 2.068 40.014 38.000 -0.091 0.000 1.266 5 I HN 0.426 nan 8.210 nan 0.000 0.434 6 I N 5.409 125.936 120.570 -0.071 0.000 2.330 6 I HA 0.659 4.829 4.170 -0.000 0.000 0.289 6 I C 0.382 176.446 176.117 -0.088 0.000 1.001 6 I CA -0.346 60.905 61.300 -0.082 0.000 1.193 6 I CB 1.385 39.366 38.000 -0.031 0.000 1.345 6 I HN 0.810 nan 8.210 nan 0.000 0.461 7 G N 3.614 112.327 108.800 -0.145 0.000 3.367 7 G HA2 0.047 4.007 3.960 -0.000 0.000 0.686 7 G HA3 0.047 4.007 3.960 -0.000 0.000 0.686 7 G C -0.094 174.648 174.900 -0.263 0.000 1.146 7 G CA -0.502 44.496 45.100 -0.171 0.000 0.913 7 G HN 1.018 nan 8.290 nan 0.000 0.554 8 G N 0.752 109.292 108.800 -0.433 0.000 4.291 8 G HA2 0.528 4.488 3.960 -0.000 0.000 0.304 8 G HA3 0.528 4.488 3.960 -0.000 0.000 0.304 8 G C 0.050 174.685 174.900 -0.442 0.000 1.264 8 G CA 0.844 45.511 45.100 -0.723 0.000 1.039 8 G HN 0.732 nan 8.290 nan 0.000 0.578 9 D N -0.403 119.856 120.400 -0.235 0.000 2.723 9 D HA 0.590 5.230 4.640 -0.000 0.000 0.205 9 D C 2.148 178.379 176.300 -0.116 0.000 1.295 9 D CA 0.308 54.215 54.000 -0.155 0.000 1.112 9 D CB 0.554 41.235 40.800 -0.198 0.000 1.193 9 D HN -0.023 nan 8.370 nan 0.000 0.610 10 A N 0.194 122.938 122.820 -0.126 0.000 1.851 10 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 10 A C 2.087 179.627 177.584 -0.073 0.000 1.195 10 A CA 3.215 55.198 52.037 -0.090 0.000 0.622 10 A CB -1.351 17.587 19.000 -0.102 0.000 0.831 10 A HN 0.438 nan 8.150 nan 0.000 0.444 11 A N -0.457 122.318 122.820 -0.075 0.000 1.897 11 A HA 0.352 4.672 4.320 -0.000 0.000 0.215 11 A C 1.782 179.320 177.584 -0.077 0.000 1.181 11 A CA 1.322 53.320 52.037 -0.065 0.000 0.620 11 A CB -1.420 17.552 19.000 -0.047 0.000 0.821 11 A HN 0.890 nan 8.150 nan 0.000 0.443 15 A N 2.300 125.058 122.820 -0.103 0.000 1.873 15 A HA 0.556 4.875 4.320 -0.000 0.000 0.215 15 A C 1.435 178.917 177.584 -0.170 0.000 1.186 15 A CA 1.495 53.452 52.037 -0.133 0.000 0.616 15 A CB -1.108 17.812 19.000 -0.134 0.000 0.823 15 A HN 0.849 nan 8.150 nan 0.000 0.442 19 I N 0.969 121.401 120.570 -0.230 0.000 2.179 19 I HA -0.193 3.977 4.170 -0.000 0.000 0.242 19 I C 2.358 178.357 176.117 -0.197 0.000 1.088 19 I CA 1.305 62.410 61.300 -0.324 0.000 1.357 19 I CB -0.170 37.483 38.000 -0.577 0.000 1.051 19 I HN -0.025 nan 8.210 nan 0.000 0.409 20 V N 0.705 120.531 119.914 -0.146 0.000 2.343 20 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 20 V C 2.568 178.644 176.094 -0.031 0.000 1.051 20 V CA 1.839 64.103 62.300 -0.060 0.000 1.036 20 V CB -0.628 31.171 31.823 -0.039 0.000 0.654 20 V HN 0.347 nan 8.190 nan 0.000 0.451 21 R N -0.188 120.275 120.500 -0.062 0.000 2.148 21 R HA -0.061 4.279 4.340 -0.000 0.000 0.227 21 R C 1.271 177.557 176.300 -0.023 0.000 1.103 21 R CA 1.529 57.610 56.100 -0.032 0.000 0.983 21 R CB -0.127 30.142 30.300 -0.051 0.000 0.874 21 R HN 0.598 nan 8.270 nan 0.000 0.451 22 N N -0.591 118.083 118.700 -0.042 0.000 2.171 22 N HA 0.001 4.741 4.740 -0.000 0.000 0.212 22 N C -1.092 174.408 175.510 -0.018 0.000 1.184 22 N CA -0.069 52.963 53.050 -0.030 0.000 0.888 22 N CB 0.966 39.427 38.487 -0.042 0.000 1.038 22 N HN -0.054 nan 8.380 nan 0.000 0.517 23 D N 0.024 120.415 120.400 -0.015 0.000 2.479 23 D HA 0.162 4.802 4.640 -0.000 0.000 0.246 23 D C 0.156 176.478 176.300 0.037 0.000 1.336 23 D CA -0.234 53.779 54.000 0.022 0.000 0.967 23 D CB 1.235 42.065 40.800 0.049 0.000 1.275 23 D HN -0.194 nan 8.370 nan 0.000 0.577 24 E N 1.499 121.722 120.200 0.039 0.000 2.150 24 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 24 E C 1.100 177.731 176.600 0.051 0.000 0.985 24 E CA 0.971 57.396 56.400 0.041 0.000 0.814 24 E CB 0.189 29.909 29.700 0.033 0.000 0.752 24 E HN 0.403 nan 8.360 nan 0.000 0.466 25 N N 0.187 118.924 118.700 0.060 0.000 2.412 25 N HA 0.069 4.809 4.740 -0.000 0.000 0.184 25 N C -0.093 175.472 175.510 0.090 0.000 1.101 25 N CA 0.492 53.580 53.050 0.064 0.000 0.881 25 N CB 0.086 38.605 38.487 0.054 0.000 0.969 25 N HN 0.037 nan 8.380 nan 0.000 0.459 26 A N 1.332 124.231 122.820 0.132 0.000 2.477 26 A HA 0.124 4.444 4.320 -0.000 0.000 0.246 26 A C 0.317 178.006 177.584 0.175 0.000 1.078 26 A CA -0.157 52.017 52.037 0.228 0.000 0.770 26 A CB -0.174 19.010 19.000 0.306 0.000 1.011 26 A HN 0.191 nan 8.150 nan 0.000 0.494 27 N N 2.211 121.017 118.700 0.178 0.000 2.527 27 N HA 0.400 5.139 4.740 -0.000 0.000 0.236 27 N C -1.180 174.433 175.510 0.172 0.000 0.999 27 N CA -0.191 52.936 53.050 0.129 0.000 0.935 27 N CB 0.826 39.360 38.487 0.078 0.000 1.132 27 N HN 0.260 nan 8.380 nan 0.000 0.511 28 V N 3.669 123.662 119.914 0.131 0.000 2.370 28 V HA 0.420 4.539 4.120 -0.000 0.000 0.279 28 V C -0.084 176.028 176.094 0.030 0.000 1.029 28 V CA -0.802 61.558 62.300 0.100 0.000 0.870 28 V CB 1.368 33.209 31.823 0.029 0.000 0.984 28 V HN 0.333 nan 8.190 nan 0.000 0.451 29 V N 4.468 124.386 119.914 0.006 0.000 2.448 29 V HA 0.584 4.704 4.120 -0.000 0.000 0.295 29 V C 0.282 176.297 176.094 -0.132 0.000 1.025 29 V CA -0.390 61.859 62.300 -0.086 0.000 0.859 29 V CB 2.175 33.932 31.823 -0.110 0.000 0.988 29 V HN 1.020 nan 8.190 nan 0.000 0.431 30 T N 3.585 118.050 114.554 -0.149 0.000 2.855 30 T HA 0.806 5.155 4.350 -0.000 0.000 0.281 30 T C -0.828 173.776 174.700 -0.160 0.000 1.007 30 T CA -0.678 61.349 62.100 -0.122 0.000 1.009 30 T CB 1.360 70.211 68.868 -0.030 0.000 0.983 30 T HN 0.350 nan 8.240 nan 0.000 0.455 31 L N 2.256 123.369 121.223 -0.183 0.000 2.342 31 L HA 0.643 4.983 4.340 -0.000 0.000 0.276 31 L C -0.368 176.415 176.870 -0.145 0.000 0.997 31 L CA -0.834 53.892 54.840 -0.191 0.000 0.838 31 L CB 1.523 43.445 42.059 -0.227 0.000 1.224 31 L HN 0.704 nan 8.230 nan 0.000 0.416 32 E N 2.894 123.029 120.200 -0.107 0.000 2.199 32 E HA 0.204 4.554 4.350 -0.000 0.000 0.265 32 E C 0.375 176.937 176.600 -0.064 0.000 0.882 32 E CA -0.598 55.696 56.400 -0.177 0.000 0.759 32 E CB 1.869 31.310 29.700 -0.431 0.000 1.148 32 E HN 0.429 nan 8.360 nan 0.000 0.412 33 K N 2.746 123.099 120.400 -0.078 0.000 2.057 33 K HA -0.010 4.310 4.320 -0.000 0.000 0.207 33 K C 0.896 177.473 176.600 -0.037 0.000 1.049 33 K CA 1.469 57.725 56.287 -0.052 0.000 0.931 33 K CB -0.226 32.235 32.500 -0.066 0.000 0.714 33 K HN 0.582 nan 8.250 nan 0.000 0.440 34 G N -0.060 108.719 108.800 -0.036 0.000 2.531 34 G HA2 0.073 4.033 3.960 -0.000 0.000 0.253 34 G HA3 0.073 4.033 3.960 -0.000 0.000 0.253 34 G C -0.124 174.784 174.900 0.014 0.000 1.439 34 G CA -0.321 44.767 45.100 -0.020 0.000 1.056 34 G HN 0.326 nan 8.290 nan 0.000 0.555 35 E N -1.302 118.912 120.200 0.023 0.000 2.562 35 E HA 0.231 4.581 4.350 -0.000 0.000 0.214 35 E C -0.231 176.436 176.600 0.112 0.000 0.979 35 E CA 0.011 56.453 56.400 0.071 0.000 1.002 35 E CB 0.740 30.465 29.700 0.042 0.000 1.048 35 E HN 0.260 nan 8.360 nan 0.000 0.488 36 I N 1.376 121.990 120.570 0.074 0.000 2.389 36 I HA 0.275 4.445 4.170 -0.000 0.000 0.288 36 I C -0.790 175.464 176.117 0.229 0.000 0.999 36 I CA -0.980 60.383 61.300 0.105 0.000 1.129 36 I CB 0.817 38.741 38.000 -0.126 0.000 1.288 36 I HN -0.129 nan 8.210 nan 0.000 0.444 37 Y N 3.125 123.529 120.300 0.174 0.000 2.335 37 Y HA 0.214 4.764 4.550 -0.000 0.000 0.323 37 Y C 1.211 177.319 175.900 0.347 0.000 1.224 37 Y CA -0.446 57.799 58.100 0.241 0.000 1.241 37 Y CB 1.361 39.986 38.460 0.275 0.000 1.235 37 Y HN 0.611 nan 8.280 nan 0.000 0.492 38 S N 1.688 117.618 115.700 0.383 0.000 3.310 38 S HA -0.232 4.237 4.470 -0.000 0.000 0.381 38 S C -1.075 173.684 174.600 0.266 0.000 0.908 38 S CA 0.851 59.223 58.200 0.287 0.000 1.333 38 S CB -2.087 61.376 63.200 0.438 0.000 0.931 38 S HN 0.655 nan 8.310 nan 0.000 0.570 39 Y N -2.242 118.108 120.300 0.082 0.000 2.576 39 Y HA 0.820 5.370 4.550 -0.000 0.000 0.346 39 Y C -0.359 175.565 175.900 0.040 0.000 1.018 39 Y CA -1.328 56.808 58.100 0.060 0.000 1.050 39 Y CB 1.182 39.674 38.460 0.054 0.000 1.280 39 Y HN 0.250 nan 8.280 nan 0.000 0.474 40 A N 2.712 125.566 122.820 0.057 0.000 2.506 40 A HA 0.231 4.551 4.320 -0.000 0.000 0.320 40 A C 0.544 178.154 177.584 0.043 0.000 1.424 40 A CA -0.602 51.426 52.037 -0.016 0.000 1.044 40 A CB -0.069 18.954 19.000 0.038 0.000 1.140 40 A HN 0.997 nan 8.150 nan 0.000 0.538 41 Q N 1.119 120.866 119.800 -0.089 0.000 2.234 41 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 41 Q C 1.688 177.723 176.000 0.058 0.000 0.980 41 Q CA 1.951 57.781 55.803 0.044 0.000 0.869 41 Q CB -0.388 28.333 28.738 -0.027 0.000 0.912 41 Q HN 0.972 nan 8.270 nan 0.000 0.436 42 C N -0.468 118.855 119.300 0.038 0.000 2.419 42 C HA -0.054 4.406 4.460 -0.000 0.000 0.281 42 C C 2.458 177.546 174.990 0.162 0.000 1.336 42 C CA 0.697 59.761 59.018 0.077 0.000 1.770 42 C CB -1.387 26.388 27.740 0.059 0.000 1.929 42 C HN 0.672 nan 8.230 nan 0.000 0.509 43 G N 0.325 109.218 108.800 0.155 0.000 2.712 43 G HA2 0.063 4.023 3.960 -0.000 0.000 0.212 43 G HA3 0.063 4.023 3.960 -0.000 0.000 0.212 43 G C 1.485 176.483 174.900 0.163 0.000 1.142 43 G CA 0.056 45.289 45.100 0.222 0.000 0.789 43 G HN 0.534 nan 8.290 nan 0.000 0.535 44 L N 0.734 122.007 121.223 0.083 0.000 2.013 44 L HA -0.078 4.261 4.340 -0.000 0.000 0.212 44 L C -0.015 176.790 176.870 -0.107 0.000 1.073 44 L CA 1.302 56.149 54.840 0.012 0.000 0.753 44 L CB -1.202 40.873 42.059 0.028 0.000 0.890 44 L HN 0.130 nan 8.230 nan 0.000 0.432 45 P HA -0.165 nan 4.420 nan 0.000 0.222 45 P C 0.882 177.867 177.300 -0.526 0.000 1.147 45 P CA 1.441 64.258 63.100 -0.472 0.000 0.790 45 P CB -0.033 31.253 31.700 -0.690 0.000 0.780 46 Y N -2.195 118.073 120.300 -0.054 0.000 2.503 46 Y HA -0.009 4.541 4.550 -0.000 0.000 0.278 46 Y C 2.256 178.132 175.900 -0.041 0.000 1.111 46 Y CA 0.062 58.134 58.100 -0.047 0.000 1.270 46 Y CB -0.744 37.699 38.460 -0.030 0.000 1.063 46 Y HN -0.278 nan 8.280 nan 0.000 0.548 47 V N 0.485 120.439 119.914 0.067 0.000 2.307 47 V HA -0.295 3.825 4.120 -0.000 0.000 0.245 47 V C 2.092 178.173 176.094 -0.022 0.000 1.045 47 V CA 1.882 64.198 62.300 0.026 0.000 1.024 47 V CB -0.519 31.317 31.823 0.022 0.000 0.651 47 V HN 0.385 nan 8.190 nan 0.000 0.449 48 I N 1.137 121.659 120.570 -0.080 0.000 2.286 48 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 48 I C 2.514 178.561 176.117 -0.116 0.000 1.115 48 I CA 1.867 63.094 61.300 -0.120 0.000 1.392 48 I CB -0.478 37.395 38.000 -0.211 0.000 1.065 48 I HN 0.478 nan 8.210 nan 0.000 0.418 49 S N 0.177 115.807 115.700 -0.118 0.000 2.522 49 S HA 0.108 4.577 4.470 -0.000 0.000 0.227 49 S C 1.764 176.355 174.600 -0.015 0.000 0.986 49 S CA 0.594 58.748 58.200 -0.076 0.000 0.929 49 S CB 0.209 63.372 63.200 -0.060 0.000 0.769 49 S HN 0.635 nan 8.310 nan 0.000 0.529 50 G N 0.570 109.370 108.800 -0.000 0.000 2.195 50 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.246 50 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.246 50 G C 1.055 175.972 174.900 0.028 0.000 0.984 50 G CA 0.221 45.329 45.100 0.013 0.000 0.633 50 G HN 1.229 nan 8.290 nan 0.000 0.525 51 A N -0.459 122.392 122.820 0.052 0.000 1.972 51 A HA 0.451 4.771 4.320 -0.000 0.000 0.219 51 A C 1.188 178.799 177.584 0.045 0.000 1.169 51 A CA 1.456 53.527 52.037 0.057 0.000 0.635 51 A CB -0.092 18.970 19.000 0.102 0.000 0.810 51 A HN 0.842 nan 8.150 nan 0.000 0.446 52 I N -1.743 118.862 120.570 0.058 0.000 2.441 52 I HA 0.385 4.555 4.170 -0.000 0.000 0.295 52 I C 1.380 177.516 176.117 0.031 0.000 0.994 52 I CA -0.386 60.940 61.300 0.043 0.000 1.144 52 I CB 1.948 39.986 38.000 0.064 0.000 1.314 52 I HN 0.139 nan 8.210 nan 0.000 0.445 53 A N 4.452 127.284 122.820 0.021 0.000 1.908 53 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 53 A C 0.954 178.547 177.584 0.015 0.000 1.181 53 A CA 1.947 53.993 52.037 0.015 0.000 0.627 53 A CB -0.294 18.713 19.000 0.011 0.000 0.818 53 A HN 0.829 nan 8.150 nan 0.000 0.445 54 S N -4.583 111.128 115.700 0.018 0.000 2.611 54 S HA 0.361 4.831 4.470 -0.000 0.000 0.268 54 S C 0.520 175.133 174.600 0.022 0.000 1.156 54 S CA 0.337 58.546 58.200 0.015 0.000 0.817 54 S CB 0.571 63.778 63.200 0.011 0.000 1.122 54 S HN 0.749 nan 8.310 nan 0.000 0.466 55 T N -1.775 112.788 114.554 0.016 0.000 2.929 55 T HA -0.061 4.289 4.350 -0.000 0.000 0.271 55 T C 1.307 176.022 174.700 0.026 0.000 1.085 55 T CA 1.502 63.614 62.100 0.020 0.000 1.125 55 T CB -0.674 68.192 68.868 -0.004 0.000 0.874 55 T HN 0.745 nan 8.240 nan 0.000 0.494 56 E N 1.086 121.297 120.200 0.019 0.000 2.160 56 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 56 E C 1.788 178.408 176.600 0.034 0.000 0.991 56 E CA 0.841 57.254 56.400 0.022 0.000 0.810 56 E CB 0.013 29.722 29.700 0.014 0.000 0.742 56 E HN 0.360 nan 8.360 nan 0.000 0.466 57 K N 0.179 120.599 120.400 0.034 0.000 2.283 57 K HA -0.085 4.235 4.320 -0.000 0.000 0.202 57 K C 2.010 178.641 176.600 0.051 0.000 1.048 57 K CA 0.575 56.883 56.287 0.035 0.000 0.948 57 K CB -0.077 32.441 32.500 0.030 0.000 0.742 57 K HN 0.329 nan 8.250 nan 0.000 0.458 58 L N 0.752 122.020 121.223 0.074 0.000 2.492 58 L HA 0.113 4.453 4.340 -0.000 0.000 0.223 58 L C 0.875 177.829 176.870 0.140 0.000 1.132 58 L CA -0.014 54.891 54.840 0.110 0.000 0.850 58 L CB -0.208 41.942 42.059 0.151 0.000 0.966 58 L HN -0.013 nan 8.230 nan 0.000 0.454 59 I N 0.381 121.024 120.570 0.121 0.000 2.452 59 I HA 0.026 4.196 4.170 -0.000 0.000 0.287 59 I C 1.287 177.460 176.117 0.093 0.000 1.079 59 I CA -0.093 61.291 61.300 0.140 0.000 1.387 59 I CB 1.529 39.596 38.000 0.113 0.000 1.404 59 I HN 0.014 nan 8.210 nan 0.000 0.522 60 A N 6.763 129.645 122.820 0.104 0.000 1.984 60 A HA 0.174 4.494 4.320 -0.000 0.000 0.214 60 A C 1.100 178.695 177.584 0.018 0.000 1.173 60 A CA 0.647 52.719 52.037 0.058 0.000 0.673 60 A CB 0.203 19.240 19.000 0.063 0.000 0.830 60 A HN 0.730 nan 8.150 nan 0.000 0.453 61 R N -0.310 120.204 120.500 0.023 0.000 2.536 61 R HA 0.267 4.607 4.340 -0.000 0.000 0.269 61 R C -1.830 174.406 176.300 -0.108 0.000 1.113 61 R CA -0.672 55.333 56.100 -0.158 0.000 0.948 61 R CB 0.796 30.844 30.300 -0.421 0.000 1.237 61 R HN 0.247 nan 8.270 nan 0.000 0.441 62 N N 1.778 120.383 118.700 -0.160 0.000 2.508 62 N HA -0.011 4.729 4.740 -0.000 0.000 0.264 62 N C 0.998 176.481 175.510 -0.045 0.000 1.216 62 N CA -0.069 52.948 53.050 -0.055 0.000 0.943 62 N CB 1.783 40.226 38.487 -0.074 0.000 1.113 62 N HN 0.471 nan 8.380 nan 0.000 0.447 63 V N 3.225 123.179 119.914 0.067 0.000 2.469 63 V HA -0.217 3.903 4.120 -0.000 0.000 0.251 63 V C 2.240 178.314 176.094 -0.032 0.000 1.064 63 V CA 1.974 64.257 62.300 -0.029 0.000 1.066 63 V CB -0.300 31.386 31.823 -0.227 0.000 0.667 63 V HN 0.727 nan 8.190 nan 0.000 0.461 64 K N -0.820 119.554 120.400 -0.044 0.000 2.097 64 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 64 K C 2.043 178.599 176.600 -0.075 0.000 1.049 64 K CA 2.082 58.338 56.287 -0.052 0.000 0.933 64 K CB -0.318 32.154 32.500 -0.046 0.000 0.717 64 K HN 0.598 nan 8.250 nan 0.000 0.442 65 T N 0.605 115.082 114.554 -0.128 0.000 2.777 65 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 65 T C 1.467 176.098 174.700 -0.115 0.000 1.040 65 T CA 1.314 63.300 62.100 -0.190 0.000 1.141 65 T CB -0.320 68.389 68.868 -0.264 0.000 0.868 65 T HN 0.116 nan 8.240 nan 0.000 0.444 66 F N 1.758 121.736 119.950 0.047 0.000 2.126 66 F HA -0.046 4.481 4.527 -0.000 0.000 0.299 66 F C 2.563 178.378 175.800 0.025 0.000 1.096 66 F CA 0.988 59.043 58.000 0.091 0.000 1.255 66 F CB -0.495 38.467 39.000 -0.063 0.000 0.997 66 F HN 0.024 nan 8.300 nan 0.000 0.479 67 R N -0.032 120.542 120.500 0.124 0.000 2.055 67 R HA -0.114 4.226 4.340 -0.000 0.000 0.228 67 R C 1.863 178.166 176.300 0.004 0.000 1.143 67 R CA 1.641 57.763 56.100 0.037 0.000 0.945 67 R CB -0.580 29.711 30.300 -0.015 0.000 0.841 67 R HN 0.211 nan 8.270 nan 0.000 0.429 68 D N 0.340 120.716 120.400 -0.040 0.000 2.110 68 D HA -0.110 4.530 4.640 -0.000 0.000 0.202 68 D C 1.753 177.977 176.300 -0.128 0.000 0.975 68 D CA 1.141 55.097 54.000 -0.073 0.000 0.839 68 D CB -0.114 40.636 40.800 -0.084 0.000 0.996 68 D HN 0.075 nan 8.370 nan 0.000 0.464 69 K N -0.564 119.695 120.400 -0.236 0.000 2.057 69 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 69 K C 1.497 177.813 176.600 -0.473 0.000 1.050 69 K CA 1.057 57.068 56.287 -0.460 0.000 0.935 69 K CB 0.009 32.042 32.500 -0.778 0.000 0.715 69 K HN 0.210 nan 8.250 nan 0.000 0.439 70 Y N -1.234 119.071 120.300 0.008 0.000 2.444 70 Y HA 0.230 4.780 4.550 -0.000 0.000 0.249 70 Y C 1.131 177.051 175.900 0.033 0.000 1.134 70 Y CA -0.013 58.108 58.100 0.034 0.000 1.261 70 Y CB 1.387 39.899 38.460 0.087 0.000 1.143 70 Y HN 0.290 nan 8.280 nan 0.000 0.523 71 G N 1.564 110.437 108.800 0.122 0.000 2.160 71 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.251 71 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.251 71 G C -0.064 174.884 174.900 0.080 0.000 1.008 71 G CA 0.039 45.186 45.100 0.077 0.000 0.724 71 G HN 0.313 nan 8.290 nan 0.000 0.514 72 I N 0.752 121.385 120.570 0.105 0.000 2.441 72 I HA 0.199 4.368 4.170 -0.000 0.000 0.287 72 I C 0.429 176.547 176.117 0.002 0.000 1.049 72 I CA -0.459 60.871 61.300 0.051 0.000 1.381 72 I CB 1.064 39.090 38.000 0.044 0.000 1.409 72 I HN 0.020 nan 8.210 nan 0.000 0.523 73 D N 6.856 127.243 120.400 -0.022 0.000 2.551 73 D HA 0.220 4.860 4.640 -0.000 0.000 0.223 73 D C -0.172 176.059 176.300 -0.115 0.000 1.144 73 D CA -0.123 53.846 54.000 -0.053 0.000 1.025 73 D CB 0.225 41.007 40.800 -0.030 0.000 1.085 73 D HN 0.521 nan 8.370 nan 0.000 0.506 74 A N 4.416 127.148 122.820 -0.146 0.000 2.302 74 A HA 0.370 4.690 4.320 -0.000 0.000 0.295 74 A C 0.224 177.685 177.584 -0.204 0.000 1.235 74 A CA -0.569 51.333 52.037 -0.225 0.000 0.876 74 A CB 0.408 19.117 19.000 -0.484 0.000 1.133 74 A HN 0.236 nan 8.150 nan 0.000 0.533 75 K N 1.787 122.082 120.400 -0.175 0.000 2.130 75 K HA 0.557 4.877 4.320 -0.000 0.000 0.268 75 K C 0.038 176.631 176.600 -0.013 0.000 0.983 75 K CA -0.450 55.673 56.287 -0.273 0.000 0.893 75 K CB 1.680 33.697 32.500 -0.804 0.000 1.066 75 K HN 0.626 nan 8.250 nan 0.000 0.450 76 V N -1.569 118.377 119.914 0.054 0.000 3.019 76 V HA 0.525 4.645 4.120 -0.000 0.000 0.317 76 V C 0.337 176.522 176.094 0.153 0.000 1.094 76 V CA -1.156 61.237 62.300 0.156 0.000 1.000 76 V CB 1.306 33.222 31.823 0.156 0.000 1.060 76 V HN 0.809 nan 8.190 nan 0.000 0.443 77 R N -0.441 120.087 120.500 0.047 0.000 3.627 77 R HA -0.188 4.152 4.340 -0.000 0.000 0.281 77 R C -0.828 175.394 176.300 -0.129 0.000 1.140 77 R CA 1.078 57.109 56.100 -0.114 0.000 0.761 77 R CB -2.157 27.950 30.300 -0.323 0.000 1.181 77 R HN 0.961 nan 8.270 nan 0.000 0.472 78 H N 0.275 119.277 119.070 -0.113 0.000 2.638 78 H HA 0.242 4.798 4.556 -0.000 0.000 0.303 78 H C -0.392 174.908 175.328 -0.046 0.000 1.034 78 H CA -0.602 55.429 56.048 -0.029 0.000 1.225 78 H CB 1.104 30.863 29.762 -0.004 0.000 1.394 78 H HN 0.150 nan 8.280 nan 0.000 0.477 79 E N 4.060 124.270 120.200 0.017 0.000 2.109 79 E HA 0.251 4.601 4.350 -0.000 0.000 0.278 79 E C -0.607 175.969 176.600 -0.040 0.000 0.954 79 E CA -0.767 55.607 56.400 -0.043 0.000 0.779 79 E CB 0.864 30.531 29.700 -0.055 0.000 1.093 79 E HN 0.316 nan 8.360 nan 0.000 0.401 80 V N 4.686 124.514 119.914 -0.144 0.000 2.529 80 V HA -0.028 4.092 4.120 -0.000 0.000 0.292 80 V C 1.438 177.401 176.094 -0.219 0.000 1.028 80 V CA 0.998 63.204 62.300 -0.157 0.000 1.074 80 V CB 0.847 32.484 31.823 -0.309 0.000 0.958 80 V HN 0.916 nan 8.190 nan 0.000 0.481 81 T N 0.984 115.558 114.554 0.033 0.000 2.971 81 T HA 0.259 4.609 4.350 -0.000 0.000 0.252 81 T C 0.284 175.126 174.700 0.237 0.000 1.022 81 T CA 0.044 62.204 62.100 0.100 0.000 0.980 81 T CB 0.178 69.098 68.868 0.088 0.000 1.044 81 T HN 0.736 nan 8.240 nan 0.000 0.501 82 K N -0.104 120.484 120.400 0.313 0.000 2.597 82 K HA 0.633 4.953 4.320 -0.000 0.000 0.282 82 K C -2.371 174.514 176.600 0.473 0.000 0.975 82 K CA -1.003 55.497 56.287 0.355 0.000 0.867 82 K CB 1.966 34.549 32.500 0.138 0.000 1.465 82 K HN -0.069 nan 8.250 nan 0.000 0.417 83 V N 1.526 121.676 119.914 0.393 0.000 2.588 83 V HA 0.313 4.433 4.120 -0.000 0.000 0.304 83 V C -1.313 174.983 176.094 0.337 0.000 1.042 83 V CA -0.630 61.911 62.300 0.402 0.000 0.877 83 V CB 1.739 33.752 31.823 0.315 0.000 0.996 83 V HN 0.868 nan 8.190 nan 0.000 0.425 84 D N 3.020 123.663 120.400 0.405 0.000 2.412 84 D HA 0.202 4.842 4.640 -0.000 0.000 0.224 84 D C 1.160 177.606 176.300 0.244 0.000 1.093 84 D CA -0.035 54.139 54.000 0.291 0.000 0.850 84 D CB 2.029 43.030 40.800 0.335 0.000 1.046 84 D HN 0.715 nan 8.370 nan 0.000 0.507 85 T N 0.671 115.344 114.554 0.197 0.000 3.088 85 T HA 0.009 4.359 4.350 -0.000 0.000 0.259 85 T C 1.132 175.897 174.700 0.108 0.000 1.122 85 T CA 0.369 62.594 62.100 0.208 0.000 1.095 85 T CB 0.374 69.343 68.868 0.169 0.000 0.930 85 T HN 0.247 nan 8.240 nan 0.000 0.508 86 E N 2.150 122.392 120.200 0.070 0.000 2.042 86 E HA 0.077 4.427 4.350 -0.000 0.000 0.189 86 E C 2.046 178.640 176.600 -0.009 0.000 0.974 86 E CA 0.808 57.225 56.400 0.028 0.000 0.806 86 E CB -0.113 29.606 29.700 0.031 0.000 0.769 86 E HN 0.537 nan 8.360 nan 0.000 0.451 87 K N 0.918 121.322 120.400 0.006 0.000 2.365 87 K HA -0.002 4.318 4.320 -0.000 0.000 0.199 87 K C -0.014 176.508 176.600 -0.130 0.000 1.045 87 K CA 0.173 56.444 56.287 -0.028 0.000 0.962 87 K CB 0.021 32.540 32.500 0.032 0.000 0.759 87 K HN 0.024 nan 8.250 nan 0.000 0.469 88 K N 0.745 121.031 120.400 -0.191 0.000 3.393 88 K HA -0.177 4.142 4.320 -0.000 0.000 0.272 88 K C -0.925 175.403 176.600 -0.454 0.000 1.004 88 K CA 0.495 56.388 56.287 -0.657 0.000 0.764 88 K CB -1.697 30.228 32.500 -0.958 0.000 1.373 88 K HN 0.226 nan 8.250 nan 0.000 0.458 89 I N 0.587 121.142 120.570 -0.024 0.000 2.533 89 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 89 I C -0.007 176.177 176.117 0.111 0.000 1.056 89 I CA -1.285 60.002 61.300 -0.022 0.000 1.057 89 I CB 2.211 40.081 38.000 -0.217 0.000 1.240 89 I HN -0.158 nan 8.210 nan 0.000 0.423 90 V N 6.426 126.423 119.914 0.139 0.000 2.427 90 V HA 0.340 4.460 4.120 -0.000 0.000 0.286 90 V C -1.044 175.103 176.094 0.089 0.000 1.034 90 V CA -0.512 61.926 62.300 0.230 0.000 0.893 90 V CB 1.290 33.289 31.823 0.295 0.000 0.982 90 V HN 0.398 nan 8.190 nan 0.000 0.452 91 Y N 2.990 123.453 120.300 0.272 0.000 2.334 91 Y HA 0.732 5.282 4.550 -0.000 0.000 0.336 91 Y C 0.381 176.417 175.900 0.228 0.000 0.960 91 Y CA -0.510 57.726 58.100 0.227 0.000 1.164 91 Y CB 1.732 40.278 38.460 0.143 0.000 1.155 91 Y HN 0.700 nan 8.280 nan 0.000 0.478 92 A N 2.970 126.048 122.820 0.429 0.000 2.365 92 A HA 0.644 4.964 4.320 -0.000 0.000 0.318 92 A C -0.897 176.858 177.584 0.285 0.000 1.091 92 A CA -0.847 51.403 52.037 0.356 0.000 0.763 92 A CB 1.271 20.572 19.000 0.501 0.000 1.248 92 A HN 0.735 nan 8.150 nan 0.000 0.442 93 E N 1.971 122.264 120.200 0.155 0.000 2.151 93 E HA 0.221 4.571 4.350 -0.000 0.000 0.275 93 E C -0.834 175.805 176.600 0.066 0.000 0.936 93 E CA -0.607 55.852 56.400 0.099 0.000 0.777 93 E CB 0.675 30.410 29.700 0.058 0.000 1.108 93 E HN 0.806 nan 8.360 nan 0.000 0.401 94 H N 3.677 122.755 119.070 0.013 0.000 2.964 94 H HA -0.025 4.531 4.556 -0.000 0.000 0.328 94 H C 0.775 176.109 175.328 0.010 0.000 1.030 94 H CA 1.335 57.370 56.048 -0.022 0.000 1.445 94 H CB 1.301 31.122 29.762 0.098 0.000 1.449 94 H HN 0.766 nan 8.280 nan 0.000 0.581 95 T N 2.040 116.475 114.554 -0.198 0.000 2.995 95 T HA -0.037 4.313 4.350 -0.000 0.000 0.269 95 T C 1.435 176.180 174.700 0.075 0.000 1.091 95 T CA 0.452 62.524 62.100 -0.047 0.000 1.128 95 T CB 0.363 69.179 68.868 -0.087 0.000 0.891 95 T HN 0.359 nan 8.240 nan 0.000 0.492 96 K N 1.602 122.155 120.400 0.254 0.000 2.157 96 K HA 0.130 4.450 4.320 -0.000 0.000 0.207 96 K C 2.761 179.492 176.600 0.219 0.000 1.030 96 K CA 1.631 58.072 56.287 0.257 0.000 0.965 96 K CB -1.299 31.375 32.500 0.289 0.000 0.877 96 K HN 0.562 nan 8.250 nan 0.000 0.460 97 T N -0.066 114.640 114.554 0.254 0.000 3.072 97 T HA 0.008 4.358 4.350 -0.000 0.000 0.266 97 T C 0.589 175.323 174.700 0.056 0.000 1.127 97 T CA 0.492 62.622 62.100 0.050 0.000 1.107 97 T CB -0.046 68.750 68.868 -0.120 0.000 0.910 97 T HN 0.103 nan 8.240 nan 0.000 0.513 98 K N 0.118 120.589 120.400 0.118 0.000 3.426 98 K HA -0.132 4.188 4.320 -0.000 0.000 0.315 98 K C -0.667 175.931 176.600 -0.004 0.000 1.293 98 K CA 1.145 57.468 56.287 0.059 0.000 0.955 98 K CB -2.303 30.213 32.500 0.027 0.000 1.238 98 K HN 0.533 nan 8.250 nan 0.000 0.441 99 D N 0.496 120.873 120.400 -0.038 0.000 2.423 99 D HA 0.163 4.803 4.640 -0.000 0.000 0.238 99 D C 0.247 176.316 176.300 -0.384 0.000 1.142 99 D CA 0.029 53.882 54.000 -0.246 0.000 0.884 99 D CB 0.772 41.369 40.800 -0.338 0.000 1.199 99 D HN -0.166 nan 8.370 nan 0.000 0.438 100 V N 2.767 122.373 119.914 -0.513 0.000 2.435 100 V HA 0.429 4.549 4.120 -0.000 0.000 0.290 100 V C -0.359 175.374 176.094 -0.601 0.000 1.030 100 V CA -0.626 61.466 62.300 -0.346 0.000 0.881 100 V CB 0.614 32.373 31.823 -0.107 0.000 0.983 100 V HN 0.311 nan 8.190 nan 0.000 0.445 101 F N 1.867 121.839 119.950 0.038 0.000 2.546 101 F HA 0.590 5.117 4.527 -0.000 0.000 0.320 101 F C 0.432 176.067 175.800 -0.275 0.000 1.076 101 F CA -0.783 57.139 58.000 -0.131 0.000 0.928 101 F CB 1.714 40.653 39.000 -0.102 0.000 1.189 101 F HN 0.402 nan 8.300 nan 0.000 0.465 102 E N 1.828 121.825 120.200 -0.339 0.000 2.191 102 E HA 0.565 4.915 4.350 -0.000 0.000 0.274 102 E C -1.654 174.533 176.600 -0.689 0.000 0.948 102 E CA -0.742 55.395 56.400 -0.438 0.000 0.802 102 E CB 2.013 31.505 29.700 -0.347 0.000 1.137 102 E HN 0.355 nan 8.360 nan 0.000 0.397 103 F N 0.921 120.840 119.950 -0.052 0.000 2.562 103 F HA 0.193 4.720 4.527 -0.000 0.000 0.319 103 F C 0.281 176.089 175.800 0.015 0.000 1.154 103 F CA -0.909 57.101 58.000 0.016 0.000 0.931 103 F CB 1.974 41.011 39.000 0.062 0.000 1.198 103 F HN 0.246 nan 8.300 nan 0.000 0.444 104 S N 4.001 119.780 115.700 0.132 0.000 2.537 104 S HA 0.624 5.094 4.470 -0.000 0.000 0.275 104 S C -0.979 173.694 174.600 0.121 0.000 1.272 104 S CA -0.339 57.886 58.200 0.042 0.000 1.050 104 S CB 0.437 63.618 63.200 -0.032 0.000 0.961 104 S HN 0.553 nan 8.310 nan 0.000 0.496 105 Y N 1.116 121.437 120.300 0.035 0.000 2.499 105 Y HA 0.641 5.191 4.550 -0.000 0.000 0.347 105 Y C 0.111 176.002 175.900 -0.014 0.000 0.987 105 Y CA -1.170 56.941 58.100 0.017 0.000 1.044 105 Y CB 0.971 39.460 38.460 0.049 0.000 1.245 105 Y HN 0.462 nan 8.280 nan 0.000 0.461 106 D N 1.388 121.845 120.400 0.095 0.000 2.269 106 D HA 0.108 4.748 4.640 -0.000 0.000 0.220 106 D C -0.035 176.402 176.300 0.228 0.000 0.962 106 D CA 0.977 54.998 54.000 0.034 0.000 0.884 106 D CB 0.321 41.051 40.800 -0.118 0.000 1.023 106 D HN 0.564 nan 8.370 nan 0.000 0.484 107 R N 0.170 120.792 120.500 0.204 0.000 2.628 107 R HA 0.533 4.873 4.340 -0.000 0.000 0.288 107 R C -1.271 175.112 176.300 0.139 0.000 0.980 107 R CA -0.811 55.445 56.100 0.260 0.000 0.891 107 R CB 2.529 32.939 30.300 0.183 0.000 1.188 107 R HN -0.063 nan 8.270 nan 0.000 0.450 108 L N 3.258 124.456 121.223 -0.041 0.000 2.365 108 L HA 0.573 4.913 4.340 -0.000 0.000 0.273 108 L C -1.730 175.122 176.870 -0.030 0.000 1.000 108 L CA -0.866 53.799 54.840 -0.292 0.000 0.819 108 L CB 1.815 43.320 42.059 -0.922 0.000 1.284 108 L HN 0.545 nan 8.230 nan 0.000 0.418 109 L N 5.579 126.781 121.223 -0.034 0.000 2.362 109 L HA 0.648 4.988 4.340 -0.000 0.000 0.275 109 L C -1.179 175.699 176.870 0.013 0.000 0.998 109 L CA -0.119 54.734 54.840 0.021 0.000 0.820 109 L CB 1.577 43.626 42.059 -0.017 0.000 1.270 109 L HN 0.584 nan 8.230 nan 0.000 0.415 110 I N 5.407 126.005 120.570 0.047 0.000 2.312 110 I HA 0.589 4.758 4.170 -0.000 0.000 0.290 110 I C 0.328 176.477 176.117 0.054 0.000 1.008 110 I CA 0.043 61.390 61.300 0.078 0.000 1.226 110 I CB 1.659 39.716 38.000 0.094 0.000 1.371 110 I HN 0.800 nan 8.210 nan 0.000 0.468 111 A N 3.472 126.315 122.820 0.039 0.000 2.992 111 A HA 0.270 4.590 4.320 -0.000 0.000 0.263 111 A C 0.795 178.382 177.584 0.005 0.000 0.928 111 A CA -0.277 51.765 52.037 0.007 0.000 1.061 111 A CB -0.362 18.617 19.000 -0.035 0.000 1.173 111 A HN 0.706 nan 8.150 nan 0.000 0.482 112 T N -3.107 111.481 114.554 0.056 0.000 3.086 112 T HA 0.460 4.810 4.350 -0.000 0.000 0.250 112 T C 1.263 175.999 174.700 0.060 0.000 1.074 112 T CA 0.867 63.003 62.100 0.061 0.000 0.988 112 T CB -0.175 68.788 68.868 0.159 0.000 0.988 112 T HN 1.975 nan 8.240 nan 0.000 0.530 113 G N 1.636 110.471 108.800 0.058 0.000 2.641 113 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.254 113 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.254 113 G C -0.140 174.814 174.900 0.090 0.000 1.315 113 G CA 0.056 45.195 45.100 0.064 0.000 0.907 113 G HN 1.427 nan 8.290 nan 0.000 0.572 114 V N -2.128 117.840 119.914 0.090 0.000 3.096 114 V HA 0.996 5.116 4.120 -0.000 0.000 0.319 114 V C 0.297 176.436 176.094 0.075 0.000 1.103 114 V CA -0.145 62.213 62.300 0.097 0.000 1.016 114 V CB 1.739 33.638 31.823 0.126 0.000 1.090 114 V HN 1.552 nan 8.190 nan 0.000 0.449 115 R N 1.017 121.559 120.500 0.071 0.000 2.740 115 R HA 0.719 5.059 4.340 -0.000 0.000 0.282 115 R C -2.996 173.342 176.300 0.064 0.000 0.969 115 R CA -1.951 54.187 56.100 0.063 0.000 0.918 115 R CB 1.991 32.324 30.300 0.055 0.000 1.175 115 R HN 0.551 nan 8.270 nan 0.000 0.464 116 P HA 0.006 nan 4.420 nan 0.000 0.271 116 P C -0.161 177.174 177.300 0.059 0.000 1.216 116 P CA -0.309 62.833 63.100 0.070 0.000 0.776 116 P CB 1.009 32.757 31.700 0.080 0.000 0.881 120 E N 0.681 120.585 120.200 -0.494 0.000 2.467 120 E HA 0.079 4.429 4.350 -0.000 0.000 0.321 120 E C -0.614 175.886 176.600 -0.166 0.000 1.388 120 E CA 0.276 56.532 56.400 -0.241 0.000 1.508 120 E CB -0.049 29.561 29.700 -0.150 0.000 1.250 120 E HN 0.247 nan 8.360 nan 0.000 0.500 121 W N 1.119 122.378 121.300 -0.068 0.000 2.376 121 W HA 0.199 4.859 4.660 0.000 0.000 0.322 121 W C 1.092 177.541 176.519 -0.118 0.000 1.160 121 W CA -1.221 56.027 57.345 -0.161 0.000 1.218 121 W CB 0.376 29.609 29.460 -0.377 0.000 1.205 121 W HN 0.247 nan 8.180 nan 0.000 0.559 122 E N 0.779 121.051 120.200 0.119 0.000 2.529 122 E HA 0.152 4.502 4.350 -0.000 0.000 0.259 122 E C 1.182 177.827 176.600 0.075 0.000 0.966 122 E CA 1.624 58.063 56.400 0.064 0.000 0.937 122 E CB 0.215 29.928 29.700 0.022 0.000 0.923 122 E HN 0.776 nan 8.360 nan 0.000 0.468 123 G N 4.608 113.487 108.800 0.131 0.000 2.175 123 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.244 123 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.244 123 G C 0.920 176.035 174.900 0.358 0.000 0.982 123 G CA 0.477 45.709 45.100 0.219 0.000 0.641 123 G HN 0.707 nan 8.290 nan 0.000 0.527 124 R N 0.350 121.057 120.500 0.344 0.000 2.153 124 R HA -0.111 4.229 4.340 -0.000 0.000 0.252 124 R C 1.411 177.844 176.300 0.220 0.000 1.158 124 R CA 1.928 58.250 56.100 0.370 0.000 0.975 124 R CB -0.268 30.163 30.300 0.219 0.000 0.871 124 R HN 0.429 nan 8.270 nan 0.000 0.450 125 D N 0.107 120.592 120.400 0.140 0.000 2.349 125 D HA 0.071 4.711 4.640 -0.000 0.000 0.214 125 D C 0.235 176.556 176.300 0.035 0.000 1.063 125 D CA 0.085 54.125 54.000 0.067 0.000 0.847 125 D CB 0.210 41.042 40.800 0.052 0.000 0.933 125 D HN 0.151 nan 8.370 nan 0.000 0.513 126 L N 1.798 123.053 121.223 0.054 0.000 2.525 126 L HA -0.044 4.296 4.340 -0.000 0.000 0.278 126 L C 0.931 177.770 176.870 -0.051 0.000 1.218 126 L CA -0.161 54.688 54.840 0.015 0.000 0.878 126 L CB 0.304 42.387 42.059 0.041 0.000 1.127 126 L HN -0.046 nan 8.230 nan 0.000 0.492 127 Q N 2.677 122.449 119.800 -0.047 0.000 2.300 127 Q HA 0.304 4.644 4.340 -0.000 0.000 0.280 127 Q C 0.782 176.724 176.000 -0.097 0.000 1.033 127 Q CA 0.825 56.583 55.803 -0.076 0.000 0.903 127 Q CB 0.858 29.580 28.738 -0.026 0.000 1.195 127 Q HN 0.790 nan 8.270 nan 0.000 0.386 128 G N 1.984 110.677 108.800 -0.179 0.000 2.195 128 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.224 128 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.224 128 G C -0.329 174.463 174.900 -0.180 0.000 0.990 128 G CA -0.132 44.922 45.100 -0.077 0.000 0.639 128 G HN 0.749 nan 8.290 nan 0.000 0.514 129 V N 3.304 123.011 119.914 -0.345 0.000 2.406 129 V HA 0.581 4.701 4.120 -0.000 0.000 0.272 129 V C 0.179 176.051 176.094 -0.371 0.000 1.043 129 V CA -0.458 61.648 62.300 -0.324 0.000 0.915 129 V CB 1.124 32.783 31.823 -0.274 0.000 0.988 129 V HN 0.354 nan 8.190 nan 0.000 0.466 130 H N 4.701 123.750 119.070 -0.035 0.000 2.717 130 H HA 0.586 5.141 4.556 -0.000 0.000 0.366 130 H C -0.752 174.611 175.328 0.060 0.000 1.132 130 H CA -0.581 55.483 56.048 0.026 0.000 1.180 130 H CB 2.444 32.231 29.762 0.042 0.000 1.678 130 H HN 0.433 nan 8.280 nan 0.000 0.537 131 L N 2.176 123.517 121.223 0.197 0.000 2.352 131 L HA 0.352 4.691 4.340 -0.000 0.000 0.269 131 L C -0.566 176.389 176.870 0.143 0.000 1.034 131 L CA -1.089 53.843 54.840 0.154 0.000 0.806 131 L CB 1.412 43.542 42.059 0.119 0.000 1.244 131 L HN 0.204 nan 8.230 nan 0.000 0.447 132 L N 2.022 123.310 121.223 0.107 0.000 2.372 132 L HA 0.399 4.739 4.340 -0.000 0.000 0.273 132 L C -0.236 176.678 176.870 0.072 0.000 0.989 132 L CA 0.178 55.065 54.840 0.077 0.000 0.841 132 L CB 1.078 43.165 42.059 0.047 0.000 1.225 132 L HN 0.601 nan 8.230 nan 0.000 0.414 133 K N 1.743 122.192 120.400 0.081 0.000 2.770 133 K HA 0.328 4.648 4.320 -0.000 0.000 0.195 133 K C 0.142 176.830 176.600 0.148 0.000 1.515 133 K CA 1.106 57.452 56.287 0.097 0.000 1.199 133 K CB 0.527 33.081 32.500 0.090 0.000 1.681 133 K HN 0.641 nan 8.250 nan 0.000 0.586 134 T N -2.150 112.474 114.554 0.116 0.000 2.926 134 T HA 0.434 4.783 4.350 -0.000 0.000 0.289 134 T C 1.387 176.082 174.700 -0.008 0.000 1.054 134 T CA -0.706 61.451 62.100 0.094 0.000 1.015 134 T CB 0.988 69.871 68.868 0.024 0.000 1.167 134 T HN -0.021 nan 8.240 nan 0.000 0.526 135 I N 1.075 121.530 120.570 -0.192 0.000 2.179 135 I HA -0.024 4.145 4.170 -0.000 0.000 0.242 135 I C -0.778 175.291 176.117 -0.080 0.000 1.088 135 I CA 0.940 62.149 61.300 -0.152 0.000 1.357 135 I CB -1.031 36.808 38.000 -0.267 0.000 1.051 135 I HN 0.535 nan 8.210 nan 0.000 0.409 136 P HA -0.187 nan 4.420 nan 0.000 0.217 136 P C 0.941 178.246 177.300 0.009 0.000 1.151 136 P CA 1.550 64.634 63.100 -0.027 0.000 0.849 136 P CB -0.084 31.603 31.700 -0.022 0.000 0.787 137 D N -0.826 119.587 120.400 0.021 0.000 2.097 137 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 137 D C 2.028 178.341 176.300 0.022 0.000 0.989 137 D CA 1.702 55.736 54.000 0.055 0.000 0.827 137 D CB -0.874 39.967 40.800 0.068 0.000 0.966 137 D HN 0.078 nan 8.370 nan 0.000 0.456 138 A N 1.330 124.148 122.820 -0.003 0.000 1.902 138 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 138 A C 2.039 179.601 177.584 -0.037 0.000 1.181 138 A CA 1.266 53.284 52.037 -0.031 0.000 0.623 138 A CB -0.312 18.674 19.000 -0.024 0.000 0.818 138 A HN 0.034 nan 8.150 nan 0.000 0.443 139 E N 0.086 120.275 120.200 -0.019 0.000 2.085 139 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 139 E C 2.137 178.738 176.600 0.001 0.000 0.994 139 E CA 1.102 57.496 56.400 -0.009 0.000 0.801 139 E CB -0.396 29.302 29.700 -0.004 0.000 0.743 139 E HN 0.600 nan 8.360 nan 0.000 0.453 140 R N 0.138 120.652 120.500 0.024 0.000 2.120 140 R HA -0.020 4.320 4.340 -0.000 0.000 0.234 140 R C 2.514 178.796 176.300 -0.031 0.000 1.123 140 R CA 0.818 56.968 56.100 0.084 0.000 0.975 140 R CB -0.222 30.200 30.300 0.204 0.000 0.866 140 R HN 0.203 nan 8.270 nan 0.000 0.446 141 I N 0.486 120.914 120.570 -0.237 0.000 2.353 141 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 141 I C 2.132 178.167 176.117 -0.138 0.000 1.119 141 I CA 1.039 62.082 61.300 -0.429 0.000 1.417 141 I CB -0.141 37.677 38.000 -0.304 0.000 1.078 141 I HN 0.144 nan 8.210 nan 0.000 0.421 142 L N 0.533 121.716 121.223 -0.067 0.000 2.056 142 L HA -0.219 4.121 4.340 -0.000 0.000 0.207 142 L C 2.606 179.477 176.870 0.002 0.000 1.078 142 L CA 1.298 56.127 54.840 -0.019 0.000 0.749 142 L CB -0.453 41.597 42.059 -0.015 0.000 0.901 142 L HN 0.154 nan 8.230 nan 0.000 0.433 143 K N -0.124 120.282 120.400 0.009 0.000 2.009 143 K HA -0.181 4.138 4.320 -0.000 0.000 0.210 143 K C 1.986 178.613 176.600 0.045 0.000 1.049 143 K CA 2.096 58.402 56.287 0.032 0.000 0.929 143 K CB -0.340 32.188 32.500 0.048 0.000 0.714 143 K HN 0.128 nan 8.250 nan 0.000 0.440 144 T N 1.131 115.722 114.554 0.062 0.000 2.699 144 T HA -0.151 4.198 4.350 -0.000 0.000 0.268 144 T C 1.676 176.404 174.700 0.047 0.000 1.036 144 T CA 1.684 63.835 62.100 0.084 0.000 1.147 144 T CB -0.212 68.756 68.868 0.167 0.000 0.862 144 T HN 0.139 nan 8.240 nan 0.000 0.446 145 L N 0.500 121.745 121.223 0.035 0.000 2.156 145 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 145 L C 2.720 179.610 176.870 0.033 0.000 1.095 145 L CA 1.165 56.030 54.840 0.041 0.000 0.770 145 L CB -0.390 41.707 42.059 0.064 0.000 0.914 145 L HN 0.263 nan 8.230 nan 0.000 0.439 146 E N 0.163 120.380 120.200 0.029 0.000 2.072 146 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 146 E C 1.882 178.496 176.600 0.023 0.000 0.982 146 E CA 1.840 58.255 56.400 0.024 0.000 0.803 146 E CB -0.127 29.585 29.700 0.021 0.000 0.755 146 E HN 0.476 nan 8.360 nan 0.000 0.453 147 T N -1.079 113.491 114.554 0.026 0.000 3.160 147 T HA -0.018 4.332 4.350 -0.000 0.000 0.210 147 T C 1.054 175.767 174.700 0.022 0.000 0.940 147 T CA 0.217 62.331 62.100 0.024 0.000 1.985 147 T CB -1.079 67.805 68.868 0.027 0.000 1.524 147 T HN 0.192 nan 8.240 nan 0.000 0.428 148 N N 2.699 121.413 118.700 0.025 0.000 2.058 148 N HA -0.140 4.600 4.740 -0.000 0.000 0.272 148 N C -0.248 175.271 175.510 0.014 0.000 1.224 148 N CA 0.561 53.622 53.050 0.019 0.000 0.826 148 N CB 0.040 38.541 38.487 0.024 0.000 1.062 148 N HN 0.613 nan 8.380 nan 0.000 0.472 149 K N 3.246 123.651 120.400 0.009 0.000 2.250 149 K HA 0.199 4.519 4.320 -0.000 0.000 0.285 149 K C -1.119 175.480 176.600 -0.001 0.000 1.097 149 K CA -0.493 55.798 56.287 0.006 0.000 0.913 149 K CB 0.210 32.714 32.500 0.006 0.000 1.179 149 K HN 0.221 nan 8.250 nan 0.000 0.462 150 V N 5.218 125.131 119.914 -0.002 0.000 2.383 150 V HA 0.150 4.269 4.120 -0.000 0.000 0.275 150 V C 0.483 176.566 176.094 -0.018 0.000 1.036 150 V CA -0.228 62.059 62.300 -0.021 0.000 0.889 150 V CB 1.278 33.081 31.823 -0.033 0.000 0.985 150 V HN 0.883 nan 8.190 nan 0.000 0.459 151 E N 1.684 121.868 120.200 -0.027 0.000 2.354 151 E HA 0.163 4.513 4.350 -0.000 0.000 0.203 151 E C -0.262 176.319 176.600 -0.032 0.000 0.841 151 E CA -0.060 56.329 56.400 -0.018 0.000 1.046 151 E CB 0.695 30.390 29.700 -0.008 0.000 1.040 151 E HN 0.667 nan 8.360 nan 0.000 0.504 152 D N 1.478 121.849 120.400 -0.047 0.000 2.256 152 D HA 0.291 4.931 4.640 -0.000 0.000 0.240 152 D C -0.862 175.366 176.300 -0.120 0.000 1.062 152 D CA -0.161 53.804 54.000 -0.058 0.000 0.832 152 D CB 2.888 43.671 40.800 -0.028 0.000 1.135 152 D HN -0.153 nan 8.370 nan 0.000 0.484 153 V N 2.168 121.984 119.914 -0.163 0.000 2.495 153 V HA 0.351 4.471 4.120 -0.000 0.000 0.298 153 V C 0.227 176.220 176.094 -0.169 0.000 1.031 153 V CA -0.479 61.648 62.300 -0.287 0.000 0.871 153 V CB 2.097 33.547 31.823 -0.621 0.000 0.988 153 V HN 0.506 nan 8.190 nan 0.000 0.432 154 T N 5.911 120.376 114.554 -0.147 0.000 2.823 154 T HA 0.688 5.038 4.350 -0.000 0.000 0.279 154 T C -0.365 174.311 174.700 -0.041 0.000 0.998 154 T CA -0.211 61.850 62.100 -0.065 0.000 0.994 154 T CB 1.275 70.129 68.868 -0.024 0.000 0.960 154 T HN 0.388 nan 8.240 nan 0.000 0.448 155 I N 3.765 124.350 120.570 0.026 0.000 2.378 155 I HA 0.391 4.561 4.170 -0.000 0.000 0.291 155 I C -0.478 175.695 176.117 0.093 0.000 0.992 155 I CA -1.001 60.346 61.300 0.079 0.000 1.154 155 I CB 1.404 39.476 38.000 0.121 0.000 1.315 155 I HN 0.356 nan 8.210 nan 0.000 0.448 156 I N 5.341 125.990 120.570 0.131 0.000 2.321 156 I HA 0.620 4.789 4.170 -0.000 0.000 0.291 156 I C 0.733 176.964 176.117 0.191 0.000 0.998 156 I CA -0.032 61.371 61.300 0.172 0.000 1.227 156 I CB 0.257 38.411 38.000 0.256 0.000 1.368 156 I HN 0.849 nan 8.210 nan 0.000 0.466 157 G N 4.308 113.211 108.800 0.172 0.000 2.655 157 G HA2 0.171 4.131 3.960 -0.000 0.000 0.680 157 G HA3 0.171 4.131 3.960 -0.000 0.000 0.680 157 G C -0.250 174.717 174.900 0.110 0.000 1.302 157 G CA -0.360 44.840 45.100 0.168 0.000 0.872 157 G HN 1.020 nan 8.290 nan 0.000 0.540 158 G N -1.535 107.319 108.800 0.089 0.000 3.359 158 G HA2 0.968 4.928 3.960 -0.000 0.000 0.187 158 G HA3 0.968 4.928 3.960 -0.000 0.000 0.187 158 G C 1.344 176.237 174.900 -0.011 0.000 1.294 158 G CA 1.353 46.463 45.100 0.017 0.000 0.769 158 G HN 2.795 nan 8.290 nan 0.000 0.733 159 G N -0.838 107.937 108.800 -0.042 0.000 2.752 159 G HA2 0.236 4.196 3.960 -0.000 0.000 0.234 159 G HA3 0.236 4.196 3.960 -0.000 0.000 0.234 159 G C 1.293 176.161 174.900 -0.053 0.000 1.367 159 G CA 1.120 46.188 45.100 -0.053 0.000 0.879 159 G HN 1.770 nan 8.290 nan 0.000 0.563 160 A N -0.791 122.009 122.820 -0.033 0.000 1.883 160 A HA 0.057 4.377 4.320 -0.000 0.000 0.217 160 A C 2.637 180.205 177.584 -0.027 0.000 1.186 160 A CA 2.485 54.510 52.037 -0.020 0.000 0.624 160 A CB -0.423 18.576 19.000 -0.001 0.000 0.822 160 A HN 0.986 nan 8.150 nan 0.000 0.444 161 I N -0.424 120.134 120.570 -0.020 0.000 2.179 161 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 161 I C 2.740 178.848 176.117 -0.015 0.000 1.088 161 I CA 1.125 62.414 61.300 -0.019 0.000 1.357 161 I CB -0.769 37.232 38.000 0.001 0.000 1.051 161 I HN 0.405 nan 8.210 nan 0.000 0.409 162 G N 1.113 109.912 108.800 -0.001 0.000 2.446 162 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 162 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 162 G C 1.577 176.468 174.900 -0.016 0.000 1.168 162 G CA 0.535 45.645 45.100 0.016 0.000 0.771 162 G HN 0.128 nan 8.290 nan 0.000 0.551 163 L N 0.714 121.876 121.223 -0.101 0.000 2.017 163 L HA 0.132 4.472 4.340 -0.000 0.000 0.208 163 L C 1.825 178.720 176.870 0.041 0.000 1.073 163 L CA 0.803 55.523 54.840 -0.200 0.000 0.745 163 L CB -0.913 40.900 42.059 -0.409 0.000 0.894 163 L HN 0.324 nan 8.230 nan 0.000 0.432 167 E N 0.560 120.847 120.200 0.146 0.000 2.058 167 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 167 E C 1.747 178.317 176.600 -0.050 0.000 0.997 167 E CA 2.011 58.416 56.400 0.009 0.000 0.801 167 E CB -0.150 29.549 29.700 -0.001 0.000 0.746 167 E HN 0.504 nan 8.360 nan 0.000 0.450 168 T N 0.163 114.625 114.554 -0.154 0.000 2.720 168 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 168 T C 1.317 175.888 174.700 -0.214 0.000 1.037 168 T CA 1.565 63.499 62.100 -0.277 0.000 1.144 168 T CB -0.325 68.235 68.868 -0.513 0.000 0.864 168 T HN 0.182 nan 8.240 nan 0.000 0.444 169 F N 0.589 120.532 119.950 -0.012 0.000 2.234 169 F HA 0.051 4.578 4.527 0.000 0.000 0.296 169 F C 2.411 178.216 175.800 0.008 0.000 1.089 169 F CA -0.140 57.858 58.000 -0.003 0.000 1.343 169 F CB -1.105 37.896 39.000 0.003 0.000 1.040 169 F HN -0.041 nan 8.300 nan 0.000 0.498 170 V N 0.202 120.222 119.914 0.177 0.000 2.287 170 V HA -0.305 3.814 4.120 -0.000 0.000 0.248 170 V C 2.134 178.270 176.094 0.070 0.000 1.053 170 V CA 2.123 64.486 62.300 0.106 0.000 1.027 170 V CB -0.616 31.242 31.823 0.058 0.000 0.646 170 V HN 0.313 nan 8.190 nan 0.000 0.447 171 E N -0.309 119.911 120.200 0.033 0.000 2.265 171 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 171 E C 1.852 178.473 176.600 0.036 0.000 0.996 171 E CA 0.795 57.207 56.400 0.020 0.000 0.832 171 E CB -0.106 29.590 29.700 -0.005 0.000 0.756 171 E HN 0.531 nan 8.360 nan 0.000 0.491 172 L N -0.476 120.783 121.223 0.059 0.000 2.591 172 L HA 0.163 4.503 4.340 -0.000 0.000 0.228 172 L C 1.166 178.085 176.870 0.083 0.000 1.133 172 L CA 0.218 55.103 54.840 0.075 0.000 0.880 172 L CB 0.160 42.287 42.059 0.114 0.000 1.033 172 L HN 0.234 nan 8.230 nan 0.000 0.450 173 G N -0.023 108.826 108.800 0.080 0.000 2.137 173 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.237 173 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.237 173 G C 0.165 175.106 174.900 0.070 0.000 1.002 173 G CA -0.165 44.976 45.100 0.068 0.000 0.702 173 G HN 0.173 nan 8.290 nan 0.000 0.515 174 K N -0.044 120.412 120.400 0.093 0.000 2.090 174 K HA 0.484 4.804 4.320 -0.000 0.000 0.249 174 K C 0.298 176.934 176.600 0.060 0.000 0.995 174 K CA -0.858 55.466 56.287 0.063 0.000 0.914 174 K CB 1.182 33.711 32.500 0.048 0.000 1.057 174 K HN 0.264 nan 8.250 nan 0.000 0.462 175 K N 1.436 121.853 120.400 0.029 0.000 2.267 175 K HA 0.210 4.530 4.320 -0.000 0.000 0.282 175 K C -0.977 175.636 176.600 0.021 0.000 1.078 175 K CA -0.376 55.931 56.287 0.033 0.000 0.903 175 K CB 0.536 33.045 32.500 0.015 0.000 1.111 175 K HN 0.217 nan 8.250 nan 0.000 0.475 176 V N 5.452 125.401 119.914 0.057 0.000 2.398 176 V HA 0.419 4.538 4.120 -0.000 0.000 0.286 176 V C 0.221 176.344 176.094 0.048 0.000 1.026 176 V CA -0.750 61.585 62.300 0.057 0.000 0.868 176 V CB 1.243 33.145 31.823 0.133 0.000 0.982 176 V HN 0.819 nan 8.190 nan 0.000 0.443 180 E N 6.466 126.720 120.200 0.091 0.000 2.191 180 E HA 0.621 4.971 4.350 -0.000 0.000 0.278 180 E C -0.886 175.783 176.600 0.116 0.000 0.972 180 E CA -0.887 55.582 56.400 0.115 0.000 0.804 180 E CB 1.319 31.098 29.700 0.131 0.000 1.110 180 E HN 0.480 nan 8.360 nan 0.000 0.394 181 R N 3.377 123.960 120.500 0.137 0.000 2.298 181 R HA 0.233 4.572 4.340 -0.000 0.000 0.310 181 R C 0.445 176.800 176.300 0.092 0.000 1.068 181 R CA -0.433 55.733 56.100 0.109 0.000 0.957 181 R CB 0.045 30.404 30.300 0.098 0.000 1.003 181 R HN 0.536 nan 8.270 nan 0.000 0.454 182 N N 2.159 120.893 118.700 0.057 0.000 2.463 182 N HA -0.119 4.621 4.740 -0.000 0.000 0.181 182 N C 0.153 175.680 175.510 0.030 0.000 1.078 182 N CA 0.832 53.914 53.050 0.053 0.000 0.902 182 N CB 0.025 38.537 38.487 0.041 0.000 0.970 182 N HN 0.709 nan 8.380 nan 0.000 0.451 183 D N -0.395 119.986 120.400 -0.032 0.000 2.348 183 D HA -0.127 4.512 4.640 -0.000 0.000 0.216 183 D C 0.808 177.063 176.300 -0.075 0.000 0.970 183 D CA 1.071 55.014 54.000 -0.094 0.000 0.889 183 D CB -0.309 40.379 40.800 -0.187 0.000 0.912 183 D HN 0.210 nan 8.370 nan 0.000 0.524 184 H N -0.475 118.630 119.070 0.058 0.000 2.672 184 H HA 0.375 4.931 4.556 -0.000 0.000 0.277 184 H C 0.103 175.464 175.328 0.056 0.000 1.074 184 H CA -0.734 55.346 56.048 0.054 0.000 1.173 184 H CB 0.160 29.957 29.762 0.059 0.000 1.558 184 H HN 0.200 nan 8.280 nan 0.000 0.539 185 I N 0.661 121.328 120.570 0.162 0.000 2.517 185 I HA 0.087 4.257 4.170 -0.000 0.000 0.285 185 I C 1.312 177.490 176.117 0.102 0.000 1.106 185 I CA 0.824 62.200 61.300 0.128 0.000 1.402 185 I CB 0.797 38.862 38.000 0.108 0.000 1.399 185 I HN 0.429 nan 8.210 nan 0.000 0.535 186 G N 3.689 112.546 108.800 0.096 0.000 2.179 186 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.260 186 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.260 186 G C 0.925 175.846 174.900 0.034 0.000 0.977 186 G CA 0.669 45.809 45.100 0.066 0.000 0.641 186 G HN 0.690 nan 8.290 nan 0.000 0.533 187 T N -1.758 112.825 114.554 0.047 0.000 2.942 187 T HA 0.327 4.676 4.350 -0.000 0.000 0.265 187 T C 2.254 176.925 174.700 -0.048 0.000 1.062 187 T CA 1.488 63.599 62.100 0.017 0.000 1.139 187 T CB 0.015 68.920 68.868 0.062 0.000 0.883 187 T HN 0.466 nan 8.240 nan 0.000 0.468 188 I N -2.005 118.531 120.570 -0.055 0.000 3.132 188 I HA 0.304 4.474 4.170 -0.000 0.000 0.255 188 I C 0.089 175.995 176.117 -0.351 0.000 1.118 188 I CA -0.260 60.933 61.300 -0.180 0.000 1.463 188 I CB 0.304 38.242 38.000 -0.104 0.000 1.356 188 I HN 0.085 nan 8.210 nan 0.000 0.463 189 Y N 1.644 121.932 120.300 -0.021 0.000 2.409 189 Y HA 0.290 4.840 4.550 -0.000 0.000 0.339 189 Y C -0.086 175.817 175.900 0.005 0.000 1.033 189 Y CA -1.233 56.863 58.100 -0.007 0.000 1.094 189 Y CB 0.759 39.211 38.460 -0.013 0.000 1.210 189 Y HN -0.003 nan 8.280 nan 0.000 0.456 190 D N 0.925 121.414 120.400 0.148 0.000 2.378 190 D HA 0.011 4.651 4.640 -0.000 0.000 0.238 190 D C 1.246 177.623 176.300 0.128 0.000 1.180 190 D CA 0.588 54.652 54.000 0.107 0.000 0.895 190 D CB 1.063 41.917 40.800 0.090 0.000 1.192 190 D HN 0.909 nan 8.370 nan 0.000 0.438 191 G N 0.805 109.663 108.800 0.097 0.000 2.442 191 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 191 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 191 G C 0.573 175.514 174.900 0.067 0.000 1.141 191 G CA 0.792 45.948 45.100 0.094 0.000 0.763 191 G HN 0.654 nan 8.290 nan 0.000 0.554 195 E N -0.139 120.033 120.200 -0.047 0.000 2.114 195 E HA -0.290 4.060 4.350 -0.000 0.000 0.199 195 E C 1.377 177.865 176.600 -0.186 0.000 1.008 195 E CA 2.154 58.507 56.400 -0.079 0.000 0.810 195 E CB -0.408 29.110 29.700 -0.304 0.000 0.739 195 E HN 0.818 nan 8.360 nan 0.000 0.456 196 Y N 0.227 120.471 120.300 -0.094 0.000 2.333 196 Y HA -0.156 4.394 4.550 -0.000 0.000 0.290 196 Y C 2.114 177.973 175.900 -0.067 0.000 1.144 196 Y CA 0.611 58.640 58.100 -0.119 0.000 1.228 196 Y CB -0.157 38.190 38.460 -0.189 0.000 0.985 196 Y HN 0.070 nan 8.280 nan 0.000 0.542 197 I N -1.830 118.720 120.570 -0.034 0.000 2.333 197 I HA -0.250 3.920 4.170 -0.000 0.000 0.246 197 I C 1.678 177.780 176.117 -0.025 0.000 1.106 197 I CA 1.090 62.337 61.300 -0.089 0.000 1.411 197 I CB -0.557 37.210 38.000 -0.389 0.000 1.082 197 I HN 0.159 nan 8.210 nan 0.000 0.420 198 Y N 1.480 121.799 120.300 0.032 0.000 2.165 198 Y HA -0.239 4.311 4.550 -0.000 0.000 0.286 198 Y C 2.658 178.588 175.900 0.050 0.000 1.155 198 Y CA 1.233 59.353 58.100 0.033 0.000 1.164 198 Y CB -0.292 38.158 38.460 -0.016 0.000 0.978 198 Y HN 0.008 nan 8.280 nan 0.000 0.513 199 K N -0.111 120.396 120.400 0.178 0.000 2.057 199 K HA -0.243 4.077 4.320 -0.000 0.000 0.207 199 K C 1.984 178.653 176.600 0.115 0.000 1.049 199 K CA 1.739 58.090 56.287 0.106 0.000 0.931 199 K CB -0.138 32.397 32.500 0.058 0.000 0.714 199 K HN 0.155 nan 8.250 nan 0.000 0.440 200 E N 0.851 121.149 120.200 0.164 0.000 2.106 200 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 200 E C 1.678 178.399 176.600 0.201 0.000 0.984 200 E CA 1.301 57.805 56.400 0.173 0.000 0.806 200 E CB -0.067 29.739 29.700 0.176 0.000 0.750 200 E HN 0.279 nan 8.360 nan 0.000 0.458 201 A N 0.567 123.571 122.820 0.307 0.000 1.855 201 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 201 A C 2.143 179.827 177.584 0.166 0.000 1.191 201 A CA 1.887 54.117 52.037 0.323 0.000 0.613 201 A CB -1.004 18.239 19.000 0.405 0.000 0.829 201 A HN 0.388 nan 8.150 nan 0.000 0.442 202 D N -0.535 119.942 120.400 0.128 0.000 2.104 202 D HA -0.213 4.427 4.640 -0.000 0.000 0.194 202 D C 1.937 178.181 176.300 -0.093 0.000 0.994 202 D CA 1.778 55.805 54.000 0.046 0.000 0.830 202 D CB -0.160 40.674 40.800 0.056 0.000 0.959 202 D HN 0.468 nan 8.370 nan 0.000 0.452 203 K N -0.805 119.528 120.400 -0.112 0.000 2.127 203 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 203 K C 1.337 177.568 176.600 -0.615 0.000 1.047 203 K CA 1.444 57.551 56.287 -0.300 0.000 0.927 203 K CB -0.099 32.261 32.500 -0.233 0.000 0.716 203 K HN 0.409 nan 8.250 nan 0.000 0.450 204 H N -0.933 117.934 119.070 -0.338 0.000 2.517 204 H HA 0.065 4.621 4.556 -0.000 0.000 0.282 204 H C -0.430 174.753 175.328 -0.241 0.000 1.023 204 H CA 0.304 56.157 56.048 -0.324 0.000 1.169 204 H CB 0.274 29.925 29.762 -0.184 0.000 1.454 204 H HN 0.366 nan 8.280 nan 0.000 0.556 205 H N -1.094 118.030 119.070 0.090 0.000 2.886 205 H HA -0.136 4.420 4.556 0.000 0.000 0.294 205 H C 0.034 175.412 175.328 0.084 0.000 1.246 205 H CA 0.487 56.575 56.048 0.066 0.000 1.142 205 H CB -2.460 27.327 29.762 0.041 0.000 1.358 205 H HN 0.377 nan 8.280 nan 0.000 0.406 206 I N 1.537 122.202 120.570 0.159 0.000 2.304 206 I HA 0.083 4.252 4.170 -0.000 0.000 0.291 206 I C 1.013 177.207 176.117 0.128 0.000 1.018 206 I CA 0.063 61.457 61.300 0.157 0.000 1.260 206 I CB 1.308 39.434 38.000 0.211 0.000 1.390 206 I HN 0.150 nan 8.210 nan 0.000 0.475 207 E N 7.606 127.857 120.200 0.084 0.000 2.223 207 E HA 0.354 4.703 4.350 -0.000 0.000 0.282 207 E C -0.941 175.681 176.600 0.036 0.000 1.046 207 E CA -0.397 56.027 56.400 0.041 0.000 0.857 207 E CB 0.775 30.465 29.700 -0.017 0.000 1.055 207 E HN 0.496 nan 8.360 nan 0.000 0.409 208 I N 6.333 126.936 120.570 0.055 0.000 2.362 208 I HA 0.234 4.404 4.170 -0.000 0.000 0.289 208 I C -0.441 175.686 176.117 0.017 0.000 0.994 208 I CA -0.724 60.618 61.300 0.071 0.000 1.158 208 I CB 1.079 39.187 38.000 0.179 0.000 1.315 208 I HN 0.419 nan 8.210 nan 0.000 0.451 209 L N 6.183 127.405 121.223 -0.001 0.000 2.307 209 L HA 0.553 4.893 4.340 -0.000 0.000 0.284 209 L C -0.070 176.809 176.870 0.014 0.000 1.023 209 L CA -0.352 54.476 54.840 -0.020 0.000 0.810 209 L CB 1.668 43.693 42.059 -0.055 0.000 1.231 209 L HN 0.534 nan 8.230 nan 0.000 0.423 210 T N 0.906 115.459 114.554 -0.002 0.000 2.932 210 T HA 0.198 4.547 4.350 -0.000 0.000 0.289 210 T C 0.303 175.010 174.700 0.012 0.000 1.039 210 T CA -0.496 61.609 62.100 0.008 0.000 1.024 210 T CB 1.289 70.133 68.868 -0.040 0.000 1.090 210 T HN 0.664 nan 8.240 nan 0.000 0.496 211 N N 1.660 120.374 118.700 0.024 0.000 2.689 211 N HA -0.214 4.525 4.740 -0.000 0.000 0.263 211 N C -0.632 174.895 175.510 0.029 0.000 0.987 211 N CA 0.967 54.032 53.050 0.025 0.000 0.782 211 N CB -0.521 37.974 38.487 0.013 0.000 0.903 211 N HN 0.714 nan 8.380 nan 0.000 0.547 212 E N 0.173 120.397 120.200 0.040 0.000 2.290 212 E HA 0.320 4.670 4.350 -0.000 0.000 0.274 212 E C -1.371 175.257 176.600 0.045 0.000 0.889 212 E CA -0.872 55.555 56.400 0.045 0.000 0.760 212 E CB 0.666 30.402 29.700 0.060 0.000 1.206 212 E HN 0.295 nan 8.360 nan 0.000 0.419 213 N N 2.875 121.595 118.700 0.033 0.000 2.408 213 N HA 0.232 4.972 4.740 -0.000 0.000 0.280 213 N C -0.457 175.032 175.510 -0.035 0.000 1.002 213 N CA -0.446 52.622 53.050 0.031 0.000 0.907 213 N CB 1.982 40.497 38.487 0.047 0.000 1.161 213 N HN 0.177 nan 8.380 nan 0.000 0.488 214 V N 2.341 122.187 119.914 -0.112 0.000 2.872 214 V HA -0.015 4.105 4.120 -0.000 0.000 0.307 214 V C 1.455 177.298 176.094 -0.418 0.000 1.072 214 V CA 0.636 62.681 62.300 -0.426 0.000 1.148 214 V CB 1.039 32.261 31.823 -1.002 0.000 0.954 214 V HN 0.777 nan 8.190 nan 0.000 0.490 215 K N 1.559 121.664 120.400 -0.492 0.000 2.485 215 K HA 0.630 4.949 4.320 -0.000 0.000 0.200 215 K C 0.104 176.493 176.600 -0.353 0.000 1.352 215 K CA 0.726 56.845 56.287 -0.280 0.000 0.953 215 K CB 1.130 33.529 32.500 -0.168 0.000 1.387 215 K HN 0.872 nan 8.250 nan 0.000 0.512 216 A N -0.002 122.516 122.820 -0.503 0.000 2.586 216 A HA 0.589 4.909 4.320 -0.000 0.000 0.291 216 A C -1.884 175.405 177.584 -0.493 0.000 1.062 216 A CA -0.731 51.044 52.037 -0.437 0.000 0.666 216 A CB 0.561 19.459 19.000 -0.169 0.000 1.281 216 A HN 0.027 nan 8.150 nan 0.000 0.421 217 F N 1.360 121.271 119.950 -0.066 0.000 2.436 217 F HA 0.592 5.119 4.527 -0.001 0.000 0.340 217 F C 0.560 176.343 175.800 -0.029 0.000 1.113 217 F CA -0.790 57.178 58.000 -0.054 0.000 1.022 217 F CB 1.859 40.848 39.000 -0.018 0.000 1.128 217 F HN 0.303 nan 8.300 nan 0.000 0.466 218 K N 1.833 122.324 120.400 0.152 0.000 2.156 218 K HA 0.884 5.203 4.320 -0.000 0.000 0.254 218 K C 0.099 176.735 176.600 0.060 0.000 0.950 218 K CA -0.671 55.659 56.287 0.071 0.000 0.849 218 K CB 2.074 34.589 32.500 0.025 0.000 1.100 218 K HN 0.881 nan 8.250 nan 0.000 0.434 219 G N 1.015 109.840 108.800 0.041 0.000 2.320 219 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.297 219 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.297 219 G C -0.166 174.747 174.900 0.023 0.000 1.344 219 G CA -0.518 44.599 45.100 0.028 0.000 0.851 219 G HN 0.461 nan 8.290 nan 0.000 0.567 220 N N -0.760 117.950 118.700 0.016 0.000 2.349 220 N HA 0.099 4.839 4.740 -0.000 0.000 0.216 220 N C 1.679 177.199 175.510 0.015 0.000 1.025 220 N CA 1.482 54.541 53.050 0.014 0.000 1.074 220 N CB 0.277 38.770 38.487 0.010 0.000 1.323 220 N HN 0.478 nan 8.380 nan 0.000 0.560 221 E N -0.529 119.678 120.200 0.012 0.000 2.251 221 E HA 0.118 4.467 4.350 -0.000 0.000 0.194 221 E C 0.055 176.659 176.600 0.007 0.000 0.964 221 E CA 0.118 56.525 56.400 0.011 0.000 0.868 221 E CB 0.296 30.002 29.700 0.010 0.000 0.828 221 E HN 0.340 nan 8.360 nan 0.000 0.481 222 R N -0.168 120.335 120.500 0.005 0.000 2.787 222 R HA 0.440 4.780 4.340 -0.000 0.000 0.271 222 R C -0.479 175.819 176.300 -0.003 0.000 0.993 222 R CA -0.704 55.394 56.100 -0.003 0.000 0.993 222 R CB 1.050 31.350 30.300 -0.000 0.000 1.155 222 R HN -0.020 nan 8.270 nan 0.000 0.486 223 V N 1.694 121.597 119.914 -0.019 0.000 2.811 223 V HA 0.022 4.142 4.120 -0.000 0.000 0.302 223 V C 0.695 176.780 176.094 -0.015 0.000 1.063 223 V CA 0.642 62.931 62.300 -0.019 0.000 1.088 223 V CB 0.765 32.540 31.823 -0.081 0.000 0.982 223 V HN 1.066 nan 8.190 nan 0.000 0.485 224 E N 4.883 125.084 120.200 0.001 0.000 2.679 224 E HA 0.536 4.886 4.350 -0.000 0.000 0.221 224 E C -0.020 176.586 176.600 0.010 0.000 0.928 224 E CA 0.252 56.653 56.400 0.000 0.000 1.296 224 E CB 0.970 30.672 29.700 0.003 0.000 1.235 224 E HN 0.789 nan 8.360 nan 0.000 0.622 225 A N 0.637 123.473 122.820 0.027 0.000 2.612 225 A HA 0.607 4.927 4.320 -0.000 0.000 0.293 225 A C -1.517 176.122 177.584 0.091 0.000 1.075 225 A CA -0.606 51.456 52.037 0.042 0.000 0.680 225 A CB 2.100 21.108 19.000 0.012 0.000 1.279 225 A HN 0.021 nan 8.150 nan 0.000 0.411 226 V N 1.272 121.250 119.914 0.108 0.000 2.448 226 V HA 0.503 4.623 4.120 -0.000 0.000 0.295 226 V C -0.058 176.039 176.094 0.005 0.000 1.025 226 V CA -0.431 61.969 62.300 0.166 0.000 0.859 226 V CB 1.558 33.520 31.823 0.231 0.000 0.988 226 V HN 0.915 nan 8.190 nan 0.000 0.431 227 E N 3.124 123.274 120.200 -0.082 0.000 2.175 227 E HA 0.620 4.970 4.350 -0.000 0.000 0.278 227 E C -0.327 176.163 176.600 -0.184 0.000 0.969 227 E CA -0.319 55.980 56.400 -0.169 0.000 0.796 227 E CB 1.686 31.294 29.700 -0.153 0.000 1.104 227 E HN 0.882 nan 8.360 nan 0.000 0.395 228 T N 0.334 114.796 114.554 -0.154 0.000 2.807 228 T HA 0.189 4.539 4.350 -0.000 0.000 0.277 228 T C 0.573 175.224 174.700 -0.082 0.000 1.006 228 T CA -0.502 61.542 62.100 -0.093 0.000 1.006 228 T CB 1.016 69.904 68.868 0.033 0.000 1.274 228 T HN 0.464 nan 8.240 nan 0.000 0.569 229 D N -0.757 119.618 120.400 -0.040 0.000 2.338 229 D HA 0.092 4.732 4.640 -0.000 0.000 0.239 229 D C 0.736 177.025 176.300 -0.018 0.000 1.095 229 D CA 0.137 54.120 54.000 -0.029 0.000 0.888 229 D CB -0.079 40.715 40.800 -0.010 0.000 0.899 229 D HN 0.693 nan 8.370 nan 0.000 0.525 230 K N -1.028 119.363 120.400 -0.015 0.000 2.585 230 K HA 0.420 4.739 4.320 -0.000 0.000 0.210 230 K C 0.316 176.901 176.600 -0.026 0.000 1.294 230 K CA 0.001 56.293 56.287 0.007 0.000 1.025 230 K CB 2.103 34.639 32.500 0.060 0.000 1.076 230 K HN 0.179 nan 8.250 nan 0.000 0.613 231 G N 0.057 108.757 108.800 -0.167 0.000 2.313 231 G HA2 0.193 4.153 3.960 -0.000 0.000 0.296 231 G HA3 0.193 4.153 3.960 -0.000 0.000 0.296 231 G C -1.503 172.941 174.900 -0.760 0.000 1.356 231 G CA -0.593 44.254 45.100 -0.422 0.000 0.833 231 G HN -0.155 nan 8.290 nan 0.000 0.552 232 T N 0.628 114.667 114.554 -0.858 0.000 2.879 232 T HA 0.652 5.002 4.350 -0.000 0.000 0.290 232 T C -1.461 172.857 174.700 -0.636 0.000 0.993 232 T CA -0.210 61.501 62.100 -0.647 0.000 0.975 232 T CB 1.026 69.725 68.868 -0.282 0.000 0.981 232 T HN 0.442 nan 8.240 nan 0.000 0.439 233 Y N 1.057 121.352 120.300 -0.008 0.000 2.409 233 Y HA 0.508 5.058 4.550 -0.000 0.000 0.343 233 Y C 0.486 176.381 175.900 -0.008 0.000 0.973 233 Y CA -1.391 56.705 58.100 -0.007 0.000 1.064 233 Y CB 1.555 40.011 38.460 -0.006 0.000 1.207 233 Y HN 0.433 nan 8.280 nan 0.000 0.452 234 K N 2.168 122.651 120.400 0.137 0.000 2.489 234 K HA 0.513 4.833 4.320 -0.000 0.000 0.278 234 K C -0.860 175.771 176.600 0.052 0.000 1.000 234 K CA 0.171 56.498 56.287 0.066 0.000 1.012 234 K CB 0.196 32.722 32.500 0.043 0.000 0.903 234 K HN 0.849 nan 8.250 nan 0.000 0.485 235 A N 4.070 126.900 122.820 0.016 0.000 2.465 235 A HA 0.250 4.570 4.320 -0.000 0.000 0.292 235 A C -0.937 176.618 177.584 -0.048 0.000 1.041 235 A CA -0.825 51.196 52.037 -0.027 0.000 0.718 235 A CB 1.099 20.080 19.000 -0.031 0.000 1.266 235 A HN 0.828 nan 8.150 nan 0.000 0.403 236 D N 1.033 121.392 120.400 -0.068 0.000 2.360 236 D HA 0.211 4.851 4.640 -0.000 0.000 0.210 236 D C 0.002 176.255 176.300 -0.077 0.000 1.047 236 D CA 0.732 54.696 54.000 -0.059 0.000 0.854 236 D CB 0.833 41.604 40.800 -0.048 0.000 0.936 236 D HN 0.410 nan 8.370 nan 0.000 0.514 237 L N 0.543 121.688 121.223 -0.129 0.000 2.565 237 L HA 0.323 4.663 4.340 -0.000 0.000 0.261 237 L C -1.911 174.840 176.870 -0.198 0.000 0.932 237 L CA -0.602 54.154 54.840 -0.139 0.000 0.878 237 L CB 2.423 44.357 42.059 -0.208 0.000 1.333 237 L HN -0.373 nan 8.230 nan 0.000 0.409 238 V N 4.889 124.703 119.914 -0.167 0.000 2.487 238 V HA 0.463 4.583 4.120 -0.000 0.000 0.298 238 V C -0.579 175.469 176.094 -0.077 0.000 1.028 238 V CA -0.528 61.639 62.300 -0.220 0.000 0.860 238 V CB 1.875 33.390 31.823 -0.513 0.000 0.991 238 V HN 0.558 nan 8.190 nan 0.000 0.427 239 L N 6.345 127.569 121.223 0.002 0.000 2.296 239 L HA 0.691 5.031 4.340 -0.000 0.000 0.286 239 L C -0.511 176.435 176.870 0.127 0.000 1.023 239 L CA 0.039 54.953 54.840 0.123 0.000 0.812 239 L CB 1.665 43.861 42.059 0.227 0.000 1.223 239 L HN 0.462 nan 8.230 nan 0.000 0.421 240 V N 4.148 124.161 119.914 0.166 0.000 2.370 240 V HA 0.493 4.613 4.120 -0.000 0.000 0.279 240 V C 0.242 176.457 176.094 0.202 0.000 1.029 240 V CA -0.275 62.170 62.300 0.242 0.000 0.870 240 V CB 1.254 33.293 31.823 0.360 0.000 0.984 240 V HN 0.817 nan 8.190 nan 0.000 0.451 241 S N 3.227 119.046 115.700 0.198 0.000 2.359 241 S HA 0.251 4.721 4.470 -0.000 0.000 0.148 241 S C 0.216 174.916 174.600 0.165 0.000 1.610 241 S CA -0.171 58.120 58.200 0.151 0.000 1.274 241 S CB 0.697 63.966 63.200 0.114 0.000 1.380 241 S HN 0.762 nan 8.310 nan 0.000 0.380 242 V N -0.200 119.827 119.914 0.189 0.000 3.427 242 V HA 0.815 4.935 4.120 -0.000 0.000 0.305 242 V C 0.726 176.950 176.094 0.216 0.000 1.412 242 V CA 0.362 62.794 62.300 0.221 0.000 1.086 242 V CB -0.111 31.854 31.823 0.237 0.000 0.964 242 V HN 0.771 nan 8.190 nan 0.000 0.439 243 G N -0.126 108.770 108.800 0.160 0.000 2.345 243 G HA2 0.476 4.436 3.960 -0.000 0.000 0.310 243 G HA3 0.476 4.436 3.960 -0.000 0.000 0.310 243 G C -1.245 173.718 174.900 0.105 0.000 1.476 243 G CA 0.021 45.214 45.100 0.156 0.000 0.978 243 G HN 1.373 nan 8.290 nan 0.000 0.656 244 V N -2.438 117.538 119.914 0.103 0.000 3.001 244 V HA 0.953 5.073 4.120 -0.000 0.000 0.314 244 V C -0.400 175.749 176.094 0.091 0.000 1.099 244 V CA -1.227 61.129 62.300 0.093 0.000 0.989 244 V CB 2.177 34.058 31.823 0.097 0.000 1.040 244 V HN 0.989 nan 8.190 nan 0.000 0.434 245 K N 2.720 123.162 120.400 0.071 0.000 2.397 245 K HA 0.609 4.929 4.320 -0.000 0.000 0.253 245 K C -2.972 173.657 176.600 0.049 0.000 0.932 245 K CA -2.197 54.115 56.287 0.041 0.000 0.795 245 K CB 2.680 35.187 32.500 0.013 0.000 1.159 245 K HN 0.547 nan 8.250 nan 0.000 0.424 246 P HA 0.006 nan 4.420 nan 0.000 0.266 246 P C -0.843 176.478 177.300 0.035 0.000 1.195 246 P CA -0.098 63.014 63.100 0.021 0.000 0.768 246 P CB 0.393 32.048 31.700 -0.076 0.000 0.838 247 N N 1.936 120.685 118.700 0.081 0.000 3.245 247 N HA 0.053 4.793 4.740 -0.000 0.000 0.296 247 N C 0.481 176.122 175.510 0.218 0.000 1.254 247 N CA 0.324 53.457 53.050 0.139 0.000 1.190 247 N CB -0.310 38.264 38.487 0.145 0.000 1.460 247 N HN 0.453 nan 8.380 nan 0.000 0.538 248 T N -4.503 110.094 114.554 0.072 0.000 3.058 248 T HA 0.133 4.483 4.350 -0.000 0.000 0.278 248 T C 0.842 175.406 174.700 -0.227 0.000 0.974 248 T CA -0.309 61.706 62.100 -0.142 0.000 0.893 248 T CB 0.423 69.192 68.868 -0.163 0.000 1.138 248 T HN -0.128 nan 8.240 nan 0.000 0.529 249 D N 2.221 122.611 120.400 -0.017 0.000 2.182 249 D HA -0.056 4.584 4.640 -0.000 0.000 0.201 249 D C 1.578 177.883 176.300 0.009 0.000 0.986 249 D CA 1.034 55.029 54.000 -0.009 0.000 0.847 249 D CB -0.451 40.378 40.800 0.048 0.000 0.942 249 D HN 0.717 nan 8.370 nan 0.000 0.467 250 F N -0.319 119.635 119.950 0.006 0.000 2.494 250 F HA 0.010 4.537 4.527 -0.000 0.000 0.298 250 F C 1.650 177.464 175.800 0.023 0.000 1.106 250 F CA 0.463 58.475 58.000 0.019 0.000 1.452 250 F CB -0.639 38.382 39.000 0.034 0.000 1.085 250 F HN -0.117 nan 8.300 nan 0.000 0.569 251 L N 0.453 121.340 121.223 -0.561 0.000 2.592 251 L HA 0.112 4.452 4.340 -0.000 0.000 0.227 251 L C 1.076 177.836 176.870 -0.182 0.000 1.127 251 L CA -0.030 54.555 54.840 -0.425 0.000 0.884 251 L CB -0.512 41.206 42.059 -0.570 0.000 1.065 251 L HN 0.177 nan 8.230 nan 0.000 0.457 252 E N 0.652 120.776 120.200 -0.126 0.000 2.529 252 E HA 0.069 4.418 4.350 -0.000 0.000 0.259 252 E C 1.169 177.745 176.600 -0.039 0.000 0.966 252 E CA 0.960 57.318 56.400 -0.069 0.000 0.937 252 E CB 0.364 30.038 29.700 -0.044 0.000 0.923 252 E HN 0.320 nan 8.360 nan 0.000 0.468 253 G N 3.083 111.863 108.800 -0.033 0.000 2.279 253 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.223 253 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.223 253 G C 0.490 175.385 174.900 -0.008 0.000 1.015 253 G CA 0.324 45.414 45.100 -0.015 0.000 0.621 253 G HN 0.848 nan 8.290 nan 0.000 0.506 254 T N -0.857 113.687 114.554 -0.016 0.000 2.726 254 T HA 0.480 4.830 4.350 -0.000 0.000 0.294 254 T C 0.874 175.562 174.700 -0.020 0.000 1.013 254 T CA 0.481 62.577 62.100 -0.006 0.000 0.996 254 T CB 0.876 69.735 68.868 -0.014 0.000 1.016 254 T HN 0.086 nan 8.240 nan 0.000 0.529 255 N N 0.169 118.861 118.700 -0.013 0.000 2.276 255 N HA 0.213 4.953 4.740 -0.000 0.000 0.212 255 N C -0.201 175.288 175.510 -0.035 0.000 1.127 255 N CA -0.073 52.965 53.050 -0.021 0.000 0.834 255 N CB -0.181 38.300 38.487 -0.011 0.000 1.014 255 N HN 0.617 nan 8.380 nan 0.000 0.491 256 I N 1.794 122.334 120.570 -0.049 0.000 2.505 256 I HA 0.008 4.178 4.170 -0.000 0.000 0.287 256 I C 0.875 176.948 176.117 -0.074 0.000 1.104 256 I CA 0.008 61.270 61.300 -0.065 0.000 1.387 256 I CB 0.386 38.336 38.000 -0.083 0.000 1.404 256 I HN -0.231 nan 8.210 nan 0.000 0.528 257 R N 3.940 124.399 120.500 -0.068 0.000 2.543 257 R HA 0.385 4.725 4.340 -0.000 0.000 0.277 257 R C -0.156 176.097 176.300 -0.079 0.000 1.074 257 R CA 0.169 56.229 56.100 -0.067 0.000 1.076 257 R CB 0.950 31.213 30.300 -0.063 0.000 0.993 257 R HN 0.529 nan 8.270 nan 0.000 0.459 258 T N 1.866 116.376 114.554 -0.074 0.000 2.909 258 T HA 0.212 4.562 4.350 -0.000 0.000 0.299 258 T C -0.733 173.929 174.700 -0.063 0.000 1.073 258 T CA -0.953 61.096 62.100 -0.085 0.000 0.999 258 T CB 1.061 69.870 68.868 -0.099 0.000 1.098 258 T HN 0.721 nan 8.240 nan 0.000 0.477 259 N N 1.227 119.886 118.700 -0.069 0.000 2.322 259 N HA 0.101 4.841 4.740 -0.000 0.000 0.270 259 N C 0.996 176.505 175.510 -0.002 0.000 1.286 259 N CA 0.033 53.068 53.050 -0.024 0.000 0.948 259 N CB -0.079 38.396 38.487 -0.020 0.000 1.164 259 N HN 0.743 nan 8.380 nan 0.000 0.551 260 H N -0.887 118.154 119.070 -0.049 0.000 2.422 260 H HA -0.071 4.485 4.556 -0.000 0.000 0.298 260 H C 1.159 176.456 175.328 -0.051 0.000 1.098 260 H CA 2.273 58.296 56.048 -0.041 0.000 1.315 260 H CB 0.177 29.926 29.762 -0.022 0.000 1.382 260 H HN 0.738 nan 8.280 nan 0.000 0.523 261 K N -1.339 118.971 120.400 -0.150 0.000 2.417 261 K HA 0.215 4.535 4.320 -0.000 0.000 0.196 261 K C 1.003 177.480 176.600 -0.204 0.000 1.023 261 K CA 0.518 56.680 56.287 -0.209 0.000 1.122 261 K CB 0.453 32.885 32.500 -0.114 0.000 0.850 261 K HN 0.348 nan 8.250 nan 0.000 0.521 262 G N 0.559 109.245 108.800 -0.190 0.000 2.175 262 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.244 262 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.244 262 G C 0.214 174.999 174.900 -0.192 0.000 0.982 262 G CA -0.111 44.887 45.100 -0.169 0.000 0.641 262 G HN 0.653 nan 8.290 nan 0.000 0.527 263 A N 0.134 122.791 122.820 -0.272 0.000 2.401 263 A HA 0.703 5.023 4.320 -0.000 0.000 0.259 263 A C 0.602 178.081 177.584 -0.176 0.000 1.103 263 A CA -0.159 51.699 52.037 -0.299 0.000 0.789 263 A CB 0.282 18.934 19.000 -0.579 0.000 1.035 263 A HN 0.764 nan 8.150 nan 0.000 0.491 264 I N 2.449 122.941 120.570 -0.130 0.000 2.471 264 I HA 0.067 4.237 4.170 -0.000 0.000 0.286 264 I C 0.422 176.490 176.117 -0.082 0.000 1.079 264 I CA -0.046 61.194 61.300 -0.101 0.000 1.398 264 I CB 0.626 38.577 38.000 -0.082 0.000 1.403 264 I HN 0.581 nan 8.210 nan 0.000 0.530 265 E N 6.103 126.252 120.200 -0.085 0.000 2.344 265 E HA 0.244 4.594 4.350 -0.000 0.000 0.270 265 E C -0.555 175.994 176.600 -0.085 0.000 1.021 265 E CA -0.129 56.215 56.400 -0.094 0.000 0.887 265 E CB 1.562 31.186 29.700 -0.125 0.000 0.997 265 E HN 0.410 nan 8.360 nan 0.000 0.429 266 V N 0.596 120.476 119.914 -0.057 0.000 2.735 266 V HA 0.452 4.572 4.120 -0.000 0.000 0.310 266 V C 0.068 176.154 176.094 -0.014 0.000 1.061 266 V CA -1.262 61.027 62.300 -0.020 0.000 0.913 266 V CB 1.787 33.631 31.823 0.035 0.000 1.005 266 V HN 0.633 nan 8.190 nan 0.000 0.428 267 N N 3.924 122.608 118.700 -0.028 0.000 2.332 267 N HA 0.416 5.156 4.740 -0.000 0.000 0.282 267 N C 1.264 176.768 175.510 -0.009 0.000 1.288 267 N CA 0.188 53.221 53.050 -0.028 0.000 0.949 267 N CB 0.352 38.809 38.487 -0.050 0.000 1.108 267 N HN 0.964 nan 8.380 nan 0.000 0.542 268 A N -1.751 120.934 122.820 -0.225 0.000 2.076 268 A HA -0.036 4.284 4.320 -0.000 0.000 0.220 268 A C 0.278 177.653 177.584 -0.347 0.000 1.160 268 A CA 0.971 52.769 52.037 -0.398 0.000 0.653 268 A CB -0.938 17.572 19.000 -0.817 0.000 0.801 268 A HN 0.611 nan 8.150 nan 0.000 0.455 272 T N -1.607 112.830 114.554 -0.195 0.000 2.689 272 T HA 0.124 4.474 4.350 -0.000 0.000 0.308 272 T C 1.118 175.750 174.700 -0.113 0.000 1.021 272 T CA 0.208 62.235 62.100 -0.122 0.000 0.973 272 T CB 0.303 69.113 68.868 -0.097 0.000 1.113 272 T HN 0.780 nan 8.240 nan 0.000 0.522 273 N N -0.494 118.156 118.700 -0.083 0.000 2.521 273 N HA -0.008 4.732 4.740 -0.000 0.000 0.188 273 N C -0.056 175.423 175.510 -0.051 0.000 1.146 273 N CA -0.009 53.002 53.050 -0.064 0.000 0.893 273 N CB -0.314 38.142 38.487 -0.053 0.000 0.975 273 N HN 0.373 nan 8.380 nan 0.000 0.451 274 V N 1.714 121.596 119.914 -0.054 0.000 2.394 274 V HA 0.099 4.219 4.120 -0.000 0.000 0.282 274 V C 0.279 176.359 176.094 -0.024 0.000 1.031 274 V CA -0.867 61.420 62.300 -0.022 0.000 0.881 274 V CB 1.331 33.154 31.823 0.001 0.000 0.982 274 V HN 0.192 nan 8.190 nan 0.000 0.451 275 Q N 4.274 124.075 119.800 0.002 0.000 2.308 275 Q HA -0.075 4.265 4.340 -0.000 0.000 0.313 275 Q C 0.494 176.536 176.000 0.069 0.000 1.075 275 Q CA 1.230 57.042 55.803 0.016 0.000 0.995 275 Q CB -0.140 28.617 28.738 0.033 0.000 1.107 275 Q HN 0.756 nan 8.270 nan 0.000 0.380 276 D N 1.350 121.786 120.400 0.061 0.000 3.079 276 D HA -0.154 4.486 4.640 -0.000 0.000 0.214 276 D C -1.111 175.344 176.300 0.258 0.000 1.145 276 D CA 1.018 55.153 54.000 0.226 0.000 0.958 276 D CB -1.383 39.589 40.800 0.287 0.000 1.117 276 D HN 0.313 nan 8.370 nan 0.000 0.416 277 V N 1.205 121.147 119.914 0.046 0.000 2.398 277 V HA 0.458 4.577 4.120 -0.000 0.000 0.286 277 V C 0.040 176.078 176.094 -0.094 0.000 1.026 277 V CA -0.600 61.724 62.300 0.039 0.000 0.868 277 V CB 1.263 33.086 31.823 0.001 0.000 0.982 277 V HN -0.047 nan 8.190 nan 0.000 0.443 278 Y N 2.225 122.517 120.300 -0.014 0.000 2.621 278 Y HA 0.887 5.437 4.550 -0.000 0.000 0.334 278 Y C 0.381 176.270 175.900 -0.018 0.000 1.074 278 Y CA -0.826 57.274 58.100 -0.000 0.000 1.149 278 Y CB 2.041 40.510 38.460 0.016 0.000 1.302 278 Y HN 0.741 nan 8.280 nan 0.000 0.501 279 A N 0.446 123.350 122.820 0.141 0.000 2.587 279 A HA 0.983 5.303 4.320 -0.000 0.000 0.293 279 A C -1.693 175.920 177.584 0.048 0.000 1.087 279 A CA -0.252 51.825 52.037 0.066 0.000 0.692 279 A CB 1.473 20.484 19.000 0.018 0.000 1.291 279 A HN 1.315 nan 8.150 nan 0.000 0.407 280 A N -0.255 122.580 122.820 0.024 0.000 2.594 280 A HA 0.955 5.275 4.320 -0.000 0.000 0.296 280 A C 0.324 177.920 177.584 0.020 0.000 1.056 280 A CA 0.514 52.550 52.037 -0.002 0.000 0.693 280 A CB 0.419 19.407 19.000 -0.021 0.000 1.278 280 A HN 2.983 nan 8.150 nan 0.000 0.408 281 G N 1.125 109.951 108.800 0.043 0.000 2.482 281 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.214 281 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.214 281 G C 0.118 175.150 174.900 0.220 0.000 1.271 281 G CA 0.623 45.768 45.100 0.076 0.000 0.944 281 G HN 0.903 nan 8.290 nan 0.000 0.568 282 D N -0.024 120.468 120.400 0.153 0.000 2.263 282 D HA -0.083 4.557 4.640 -0.000 0.000 0.208 282 D C 2.491 178.964 176.300 0.289 0.000 0.971 282 D CA 1.974 56.106 54.000 0.220 0.000 0.867 282 D CB -0.550 40.322 40.800 0.120 0.000 0.929 282 D HN 0.938 nan 8.370 nan 0.000 0.492 283 C N -0.607 118.789 119.300 0.159 0.000 2.576 283 C HA 0.678 5.138 4.460 -0.000 0.000 0.267 283 C C 1.188 176.192 174.990 0.024 0.000 1.364 283 C CA -0.690 58.385 59.018 0.095 0.000 1.723 283 C CB -1.040 26.740 27.740 0.068 0.000 1.778 283 C HN 0.113 nan 8.230 nan 0.000 0.572 284 A N 1.373 124.210 122.820 0.029 0.000 2.288 284 A HA 0.733 5.053 4.320 -0.000 0.000 0.328 284 A C 0.389 177.831 177.584 -0.237 0.000 1.123 284 A CA 0.384 52.380 52.037 -0.069 0.000 0.861 284 A CB 0.340 19.321 19.000 -0.032 0.000 1.272 284 A HN 0.662 nan 8.150 nan 0.000 0.490 285 T N -1.615 112.833 114.554 -0.177 0.000 2.899 285 T HA 0.566 4.915 4.350 -0.000 0.000 0.284 285 T C -0.529 174.072 174.700 -0.166 0.000 1.004 285 T CA -0.128 61.871 62.100 -0.169 0.000 1.043 285 T CB 0.328 69.251 68.868 0.091 0.000 1.013 285 T HN 0.590 nan 8.240 nan 0.000 0.518 286 H N 0.046 119.261 119.070 0.242 0.000 2.887 286 H HA 0.292 4.848 4.556 -0.000 0.000 0.300 286 H C -1.123 174.286 175.328 0.135 0.000 1.038 286 H CA -0.873 55.301 56.048 0.209 0.000 1.352 286 H CB 0.443 30.297 29.762 0.152 0.000 1.473 286 H HN 0.708 nan 8.280 nan 0.000 0.503 287 Y N 3.863 124.161 120.300 -0.003 0.000 2.805 287 Y HA -0.100 4.450 4.550 -0.000 0.000 0.331 287 Y C -0.076 175.807 175.900 -0.028 0.000 1.241 287 Y CA 0.502 58.420 58.100 -0.305 0.000 1.546 287 Y CB 0.114 38.322 38.460 -0.419 0.000 1.248 287 Y HN 0.626 nan 8.280 nan 0.000 0.559 288 H N 6.564 125.108 119.070 -0.877 0.000 2.519 288 H HA 0.210 4.766 4.556 -0.000 0.000 0.316 288 H C 0.696 175.556 175.328 -0.781 0.000 1.065 288 H CA -0.255 55.447 56.048 -0.578 0.000 1.264 288 H CB 1.558 31.129 29.762 -0.319 0.000 1.413 288 H HN 0.761 nan 8.280 nan 0.000 0.465 289 V N 5.786 125.478 119.914 -0.371 0.000 2.392 289 V HA -0.258 3.862 4.120 -0.000 0.000 0.249 289 V C 2.069 178.132 176.094 -0.053 0.000 1.059 289 V CA 1.562 63.753 62.300 -0.182 0.000 1.051 289 V CB -0.300 31.440 31.823 -0.138 0.000 0.658 289 V HN 0.699 nan 8.190 nan 0.000 0.455 290 I N -0.882 119.776 120.570 0.147 0.000 2.810 290 I HA 0.008 4.178 4.170 -0.000 0.000 0.262 290 I C 2.235 178.316 176.117 -0.060 0.000 1.131 290 I CA 0.921 62.260 61.300 0.064 0.000 1.453 290 I CB -0.984 37.074 38.000 0.097 0.000 1.161 290 I HN 0.276 nan 8.210 nan 0.000 0.444 291 K N 1.314 121.588 120.400 -0.210 0.000 2.148 291 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 291 K C 0.112 176.621 176.600 -0.152 0.000 1.050 291 K CA 0.614 56.734 56.287 -0.278 0.000 0.942 291 K CB 0.001 32.222 32.500 -0.466 0.000 0.724 291 K HN 0.279 nan 8.250 nan 0.000 0.446 292 E N -0.422 119.656 120.200 -0.202 0.000 2.637 292 E HA -0.234 4.116 4.350 -0.000 0.000 0.265 292 E C -0.675 175.945 176.600 0.033 0.000 1.073 292 E CA 0.376 56.717 56.400 -0.099 0.000 0.778 292 E CB -1.549 28.188 29.700 0.063 0.000 1.362 292 E HN 0.240 nan 8.360 nan 0.000 0.413 293 I N -0.683 119.836 120.570 -0.085 0.000 3.095 293 I HA 0.238 4.408 4.170 -0.000 0.000 0.310 293 I C -0.370 175.798 176.117 0.085 0.000 1.196 293 I CA -0.811 60.546 61.300 0.094 0.000 0.985 293 I CB 1.534 39.560 38.000 0.043 0.000 1.250 293 I HN -0.010 nan 8.210 nan 0.000 0.446 294 H N 3.254 122.408 119.070 0.141 0.000 2.934 294 H HA 0.276 4.831 4.556 -0.000 0.000 0.273 294 H C -0.547 174.850 175.328 0.116 0.000 1.121 294 H CA 0.102 56.248 56.048 0.164 0.000 1.451 294 H CB 0.136 29.991 29.762 0.154 0.000 1.469 294 H HN 0.331 nan 8.280 nan 0.000 0.476 295 D N 0.608 121.118 120.400 0.184 0.000 2.511 295 D HA 0.098 4.737 4.640 -0.000 0.000 0.276 295 D C -0.457 175.993 176.300 0.251 0.000 1.220 295 D CA -0.352 53.763 54.000 0.191 0.000 1.077 295 D CB 0.898 41.823 40.800 0.208 0.000 1.126 295 D HN 0.624 nan 8.370 nan 0.000 0.583 296 H N 0.571 119.727 119.070 0.144 0.000 3.177 296 H HA 0.351 4.907 4.556 -0.000 0.000 0.314 296 H C -1.035 174.450 175.328 0.262 0.000 1.059 296 H CA -0.360 55.787 56.048 0.164 0.000 1.515 296 H CB 0.154 29.945 29.762 0.049 0.000 1.672 296 H HN 0.216 nan 8.280 nan 0.000 0.514 297 I N 7.679 128.373 120.570 0.206 0.000 2.782 297 I HA 0.192 4.362 4.170 -0.000 0.000 0.279 297 I C -2.560 173.412 176.117 -0.241 0.000 1.247 297 I CA -1.728 59.539 61.300 -0.054 0.000 1.062 297 I CB 1.563 39.552 38.000 -0.018 0.000 1.421 297 I HN 0.320 nan 8.210 nan 0.000 0.558 298 P HA 0.333 nan 4.420 nan 0.000 0.276 298 P C -0.531 176.668 177.300 -0.169 0.000 1.253 298 P CA 0.238 63.214 63.100 -0.207 0.000 0.766 298 P CB 1.936 33.529 31.700 -0.178 0.000 0.845 299 I N 1.390 121.849 120.570 -0.185 0.000 2.984 299 I HA 0.344 4.513 4.170 -0.000 0.000 0.303 299 I C 1.123 177.167 176.117 -0.122 0.000 1.381 299 I CA -0.808 60.413 61.300 -0.133 0.000 0.988 299 I CB 2.258 40.179 38.000 -0.132 0.000 1.307 299 I HN 0.368 nan 8.210 nan 0.000 0.460 300 G N 1.551 110.298 108.800 -0.089 0.000 2.443 300 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.219 300 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.219 300 G C 1.250 176.105 174.900 -0.075 0.000 1.131 300 G CA 1.403 46.454 45.100 -0.081 0.000 0.775 300 G HN 0.757 nan 8.290 nan 0.000 0.547 301 T N -0.834 113.677 114.554 -0.073 0.000 2.674 301 T HA -0.150 4.199 4.350 -0.000 0.000 0.265 301 T C 2.333 177.002 174.700 -0.052 0.000 1.039 301 T CA 2.014 64.079 62.100 -0.058 0.000 1.150 301 T CB -1.010 67.823 68.868 -0.058 0.000 0.864 301 T HN 0.128 nan 8.240 nan 0.000 0.427 302 T N 2.292 116.798 114.554 -0.081 0.000 2.759 302 T HA 0.014 4.364 4.350 -0.000 0.000 0.269 302 T C 2.447 177.081 174.700 -0.109 0.000 1.042 302 T CA 1.367 63.414 62.100 -0.089 0.000 1.140 302 T CB -0.830 67.893 68.868 -0.243 0.000 0.864 302 T HN 0.608 nan 8.240 nan 0.000 0.455 303 A N 2.212 124.967 122.820 -0.108 0.000 1.898 303 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 303 A C 2.326 179.871 177.584 -0.065 0.000 1.181 303 A CA 1.322 53.313 52.037 -0.077 0.000 0.620 303 A CB -0.549 18.411 19.000 -0.067 0.000 0.819 303 A HN 0.397 nan 8.150 nan 0.000 0.442 304 N N 0.097 118.763 118.700 -0.056 0.000 2.084 304 N HA -0.132 4.607 4.740 -0.000 0.000 0.190 304 N C 1.681 177.175 175.510 -0.026 0.000 1.030 304 N CA 1.550 54.575 53.050 -0.042 0.000 0.849 304 N CB -0.300 38.164 38.487 -0.037 0.000 1.012 304 N HN 0.556 nan 8.380 nan 0.000 0.423 305 K N 1.140 121.537 120.400 -0.005 0.000 2.026 305 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 305 K C 2.128 178.737 176.600 0.014 0.000 1.048 305 K CA 1.118 57.433 56.287 0.047 0.000 0.929 305 K CB -0.161 32.428 32.500 0.149 0.000 0.713 305 K HN 0.299 nan 8.250 nan 0.000 0.439 306 Q N -0.099 119.644 119.800 -0.096 0.000 2.119 306 Q HA -0.101 4.239 4.340 -0.000 0.000 0.201 306 Q C 2.347 178.296 176.000 -0.085 0.000 0.972 306 Q CA 1.376 57.063 55.803 -0.194 0.000 0.847 306 Q CB -0.209 28.344 28.738 -0.309 0.000 0.903 306 Q HN 0.494 nan 8.270 nan 0.000 0.433 307 G N 1.268 110.029 108.800 -0.065 0.000 2.421 307 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.216 307 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.216 307 G C 1.390 176.259 174.900 -0.052 0.000 1.171 307 G CA 0.854 45.920 45.100 -0.056 0.000 0.775 307 G HN 0.235 nan 8.290 nan 0.000 0.543 308 R N -0.562 119.916 120.500 -0.038 0.000 2.083 308 R HA -0.040 4.300 4.340 -0.000 0.000 0.237 308 R C 2.389 178.680 176.300 -0.013 0.000 1.137 308 R CA 1.117 57.199 56.100 -0.031 0.000 0.951 308 R CB -0.354 29.937 30.300 -0.015 0.000 0.851 308 R HN 0.267 nan 8.270 nan 0.000 0.434 309 L N 0.751 121.986 121.223 0.020 0.000 2.046 309 L HA -0.064 4.275 4.340 -0.000 0.000 0.208 309 L C 2.529 179.429 176.870 0.050 0.000 1.077 309 L CA 2.033 56.911 54.840 0.063 0.000 0.747 309 L CB -1.356 40.774 42.059 0.119 0.000 0.896 309 L HN 0.356 nan 8.230 nan 0.000 0.432 310 A N -0.584 122.246 122.820 0.016 0.000 1.902 310 A HA -0.090 4.229 4.320 -0.000 0.000 0.217 310 A C 2.438 179.947 177.584 -0.126 0.000 1.181 310 A CA 1.642 53.680 52.037 0.002 0.000 0.623 310 A CB -1.246 17.756 19.000 0.004 0.000 0.818 310 A HN 0.430 nan 8.150 nan 0.000 0.443 311 G N -0.017 108.705 108.800 -0.129 0.000 2.459 311 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 311 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 311 G C 1.577 176.378 174.900 -0.165 0.000 1.183 311 G CA 1.139 46.126 45.100 -0.190 0.000 0.776 311 G HN 0.425 nan 8.290 nan 0.000 0.552 312 L N 0.431 121.602 121.223 -0.086 0.000 2.013 312 L HA -0.069 4.270 4.340 -0.000 0.000 0.212 312 L C 1.741 178.594 176.870 -0.029 0.000 1.073 312 L CA 0.674 55.487 54.840 -0.045 0.000 0.753 312 L CB -0.600 41.460 42.059 0.002 0.000 0.890 312 L HN 0.187 nan 8.230 nan 0.000 0.432 316 D N 0.953 121.371 120.400 0.032 0.000 2.911 316 D HA -0.181 4.459 4.640 -0.000 0.000 0.227 316 D C 0.256 176.554 176.300 -0.004 0.000 1.164 316 D CA 1.045 55.055 54.000 0.018 0.000 0.782 316 D CB -0.733 40.083 40.800 0.026 0.000 1.094 316 D HN 0.421 nan 8.370 nan 0.000 0.425 317 K N 0.766 121.164 120.400 -0.004 0.000 2.180 317 K HA 0.218 4.538 4.320 -0.000 0.000 0.250 317 K C 0.427 177.027 176.600 0.000 0.000 1.135 317 K CA -0.759 55.526 56.287 -0.004 0.000 1.037 317 K CB 0.677 33.176 32.500 -0.002 0.000 1.624 317 K HN -0.086 nan 8.250 nan 0.000 0.382 318 R N 2.900 123.380 120.500 -0.033 0.000 2.446 318 R HA 0.053 4.393 4.340 -0.000 0.000 0.314 318 R C -0.636 175.687 176.300 0.038 0.000 1.003 318 R CA 0.616 56.665 56.100 -0.084 0.000 1.018 318 R CB 0.106 30.286 30.300 -0.201 0.000 0.945 318 R HN 0.430 nan 8.270 nan 0.000 0.419 319 R N 2.877 123.476 120.500 0.166 0.000 2.522 319 R HA 0.519 4.859 4.340 -0.000 0.000 0.283 319 R C -1.373 175.155 176.300 0.380 0.000 1.074 319 R CA -0.561 55.679 56.100 0.234 0.000 0.925 319 R CB 1.534 31.925 30.300 0.152 0.000 1.205 319 R HN 0.742 nan 8.270 nan 0.000 0.436 320 A N 3.783 126.804 122.820 0.335 0.000 2.340 320 A HA 0.325 4.645 4.320 -0.000 0.000 0.268 320 A C -0.746 176.942 177.584 0.173 0.000 1.100 320 A CA -0.323 51.809 52.037 0.158 0.000 0.803 320 A CB 0.246 19.247 19.000 0.002 0.000 1.043 320 A HN 0.611 nan 8.150 nan 0.000 0.488 321 F N 2.215 122.166 119.950 0.002 0.000 2.438 321 F HA 0.359 4.885 4.527 -0.000 0.000 0.356 321 F C 1.003 176.826 175.800 0.037 0.000 1.099 321 F CA -0.597 57.427 58.000 0.041 0.000 1.185 321 F CB 0.975 40.007 39.000 0.055 0.000 1.115 321 F HN 0.541 nan 8.300 nan 0.000 0.526 322 K N 4.186 124.332 120.400 -0.424 0.000 2.365 322 K HA 0.312 4.632 4.320 -0.000 0.000 0.197 322 K C 0.822 177.181 176.600 -0.402 0.000 1.042 322 K CA 0.757 56.875 56.287 -0.282 0.000 0.987 322 K CB -0.622 31.894 32.500 0.026 0.000 0.779 322 K HN 0.954 nan 8.250 nan 0.000 0.484 323 G N 0.050 108.147 108.800 -1.173 0.000 2.408 323 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.682 323 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.682 323 G C -0.909 173.684 174.900 -0.511 0.000 1.303 323 G CA -0.368 44.260 45.100 -0.788 0.000 0.966 323 G HN 0.046 nan 8.290 nan 0.000 0.560 324 T N -0.919 113.497 114.554 -0.231 0.000 2.945 324 T HA 0.683 5.033 4.350 -0.000 0.000 0.286 324 T C 1.262 175.677 174.700 -0.475 0.000 1.025 324 T CA -0.394 61.581 62.100 -0.208 0.000 1.039 324 T CB 1.123 69.924 68.868 -0.112 0.000 1.068 324 T HN 0.740 nan 8.240 nan 0.000 0.497 325 L N 2.312 123.311 121.223 -0.374 0.000 2.766 325 L HA 0.347 4.687 4.340 -0.000 0.000 0.242 325 L C 1.733 178.418 176.870 -0.309 0.000 1.136 325 L CA 0.095 54.704 54.840 -0.384 0.000 0.933 325 L CB 0.195 42.173 42.059 -0.134 0.000 1.241 325 L HN 1.032 nan 8.230 nan 0.000 0.522 326 G N 1.092 109.734 108.800 -0.262 0.000 2.176 326 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 326 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 326 G C 0.276 175.127 174.900 -0.082 0.000 1.024 326 G CA 0.401 45.448 45.100 -0.089 0.000 0.755 326 G HN 0.257 nan 8.290 nan 0.000 0.507 327 T N 0.333 114.830 114.554 -0.094 0.000 2.916 327 T HA 0.528 4.878 4.350 -0.000 0.000 0.303 327 T C 0.746 175.406 174.700 -0.067 0.000 1.025 327 T CA 0.806 62.863 62.100 -0.072 0.000 1.142 327 T CB 1.671 70.500 68.868 -0.065 0.000 0.947 327 T HN 1.449 nan 8.240 nan 0.000 0.544 328 G N 1.646 110.415 108.800 -0.052 0.000 2.746 328 G HA2 0.646 4.606 3.960 -0.000 0.000 0.297 328 G HA3 0.646 4.606 3.960 -0.000 0.000 0.297 328 G C -1.719 173.190 174.900 0.016 0.000 1.426 328 G CA -0.570 44.511 45.100 -0.031 0.000 0.989 328 G HN 0.810 nan 8.290 nan 0.000 0.520 329 I N 1.132 121.722 120.570 0.034 0.000 2.686 329 I HA 0.732 4.902 4.170 -0.000 0.000 0.295 329 I C -1.407 174.755 176.117 0.076 0.000 1.114 329 I CA -1.344 59.996 61.300 0.066 0.000 1.038 329 I CB 2.129 40.154 38.000 0.042 0.000 1.238 329 I HN 0.407 nan 8.210 nan 0.000 0.420 330 I N 6.517 127.146 120.570 0.098 0.000 2.569 330 I HA 0.372 4.542 4.170 -0.000 0.000 0.290 330 I C -0.746 175.440 176.117 0.116 0.000 1.088 330 I CA -0.725 60.637 61.300 0.103 0.000 1.047 330 I CB 2.045 40.097 38.000 0.086 0.000 1.237 330 I HN 0.432 nan 8.210 nan 0.000 0.421 331 K N 5.657 126.141 120.400 0.140 0.000 2.276 331 K HA 0.448 4.768 4.320 -0.000 0.000 0.285 331 K C -1.550 175.181 176.600 0.217 0.000 1.062 331 K CA -0.099 56.273 56.287 0.142 0.000 0.918 331 K CB 0.866 33.443 32.500 0.128 0.000 1.055 331 K HN 0.477 nan 8.250 nan 0.000 0.477 335 L N 1.397 122.607 121.223 -0.021 0.000 2.379 335 L HA 0.540 4.880 4.340 -0.000 0.000 0.269 335 L C -0.060 176.839 176.870 0.049 0.000 1.084 335 L CA -0.093 54.769 54.840 0.035 0.000 0.802 335 L CB 1.524 43.630 42.059 0.078 0.000 1.175 335 L HN -0.030 nan 8.230 nan 0.000 0.448 336 T N 3.313 117.894 114.554 0.045 0.000 2.797 336 T HA 0.592 4.942 4.350 -0.000 0.000 0.279 336 T C -0.370 174.360 174.700 0.050 0.000 0.991 336 T CA -0.432 61.699 62.100 0.051 0.000 0.979 336 T CB 1.072 69.962 68.868 0.035 0.000 0.943 336 T HN 0.264 nan 8.240 nan 0.000 0.444 337 L N 2.749 124.010 121.223 0.064 0.000 2.319 337 L HA 0.830 5.170 4.340 -0.000 0.000 0.281 337 L C -0.088 176.907 176.870 0.208 0.000 1.005 337 L CA -0.979 53.893 54.840 0.053 0.000 0.828 337 L CB 1.358 43.359 42.059 -0.096 0.000 1.227 337 L HN 0.690 nan 8.230 nan 0.000 0.415 338 A N 3.749 126.725 122.820 0.262 0.000 2.435 338 A HA 1.005 5.325 4.320 -0.000 0.000 0.304 338 A C -0.908 176.796 177.584 0.201 0.000 1.064 338 A CA -0.726 51.437 52.037 0.210 0.000 0.727 338 A CB 2.054 21.115 19.000 0.102 0.000 1.284 338 A HN 0.838 nan 8.150 nan 0.000 0.415 339 R N -0.393 120.123 120.500 0.026 0.000 2.680 339 R HA 0.881 5.221 4.340 -0.000 0.000 0.269 339 R C -0.837 175.412 176.300 -0.084 0.000 1.026 339 R CA -0.270 55.767 56.100 -0.104 0.000 0.889 339 R CB 1.449 31.492 30.300 -0.429 0.000 1.241 339 R HN 0.712 nan 8.270 nan 0.000 0.463 340 T N -0.006 114.508 114.554 -0.067 0.000 2.853 340 T HA 0.666 5.016 4.350 -0.000 0.000 0.311 340 T C 0.001 174.684 174.700 -0.028 0.000 1.307 340 T CA 0.474 62.546 62.100 -0.047 0.000 1.019 340 T CB 1.141 69.992 68.868 -0.028 0.000 1.264 340 T HN 1.496 nan 8.240 nan 0.000 0.497 341 G N 1.719 110.523 108.800 0.006 0.000 2.569 341 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.259 341 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.259 341 G C -0.725 174.187 174.900 0.020 0.000 1.263 341 G CA -0.038 45.097 45.100 0.060 0.000 0.928 341 G HN 0.954 nan 8.290 nan 0.000 0.572 342 L N 1.777 122.975 121.223 -0.041 0.000 2.326 342 L HA 0.429 4.769 4.340 -0.000 0.000 0.278 342 L C 0.826 177.604 176.870 -0.153 0.000 1.092 342 L CA -0.699 54.065 54.840 -0.128 0.000 0.810 342 L CB 1.063 43.014 42.059 -0.181 0.000 1.153 342 L HN 0.891 nan 8.230 nan 0.000 0.439 343 N N 0.869 119.466 118.700 -0.170 0.000 2.538 343 N HA 0.145 4.885 4.740 -0.000 0.000 0.292 343 N C 0.390 175.746 175.510 -0.256 0.000 1.262 343 N CA -0.700 52.246 53.050 -0.173 0.000 0.976 343 N CB 0.410 38.816 38.487 -0.134 0.000 1.161 343 N HN 0.490 nan 8.380 nan 0.000 0.598 344 E N -0.576 119.493 120.200 -0.219 0.000 2.106 344 E HA -0.199 4.150 4.350 -0.000 0.000 0.192 344 E C 1.301 177.779 176.600 -0.203 0.000 0.984 344 E CA 0.959 57.184 56.400 -0.292 0.000 0.806 344 E CB -0.075 29.590 29.700 -0.059 0.000 0.750 344 E HN 0.636 nan 8.360 nan 0.000 0.458 345 K N 1.409 121.739 120.400 -0.117 0.000 2.057 345 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 345 K C 1.893 178.424 176.600 -0.115 0.000 1.049 345 K CA 1.503 57.742 56.287 -0.081 0.000 0.931 345 K CB 0.125 32.600 32.500 -0.041 0.000 0.714 345 K HN 0.055 nan 8.250 nan 0.000 0.440 346 E N -0.107 120.005 120.200 -0.147 0.000 2.047 346 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 346 E C 2.028 178.511 176.600 -0.195 0.000 0.987 346 E CA 1.049 57.352 56.400 -0.161 0.000 0.799 346 E CB -0.149 29.446 29.700 -0.174 0.000 0.752 346 E HN 0.431 nan 8.360 nan 0.000 0.449 347 A N 1.729 124.379 122.820 -0.283 0.000 1.902 347 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 347 A C 1.977 179.463 177.584 -0.164 0.000 1.181 347 A CA 1.555 53.410 52.037 -0.303 0.000 0.623 347 A CB -0.316 18.260 19.000 -0.707 0.000 0.818 347 A HN 0.039 nan 8.150 nan 0.000 0.443 348 K N -0.900 119.415 120.400 -0.140 0.000 2.057 348 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 348 K C 2.081 178.520 176.600 -0.269 0.000 1.049 348 K CA 1.074 57.292 56.287 -0.115 0.000 0.931 348 K CB -0.428 32.041 32.500 -0.051 0.000 0.714 348 K HN 0.476 nan 8.250 nan 0.000 0.440 349 G N 0.831 109.527 108.800 -0.173 0.000 2.422 349 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 349 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 349 G C 1.311 176.160 174.900 -0.084 0.000 1.140 349 G CA 0.461 45.484 45.100 -0.128 0.000 0.775 349 G HN 0.123 nan 8.290 nan 0.000 0.545 350 L N -1.030 120.141 121.223 -0.086 0.000 2.592 350 L HA 0.262 4.602 4.340 -0.000 0.000 0.227 350 L C 0.809 177.733 176.870 0.090 0.000 1.127 350 L CA 0.007 54.848 54.840 0.001 0.000 0.884 350 L CB -0.126 41.905 42.059 -0.046 0.000 1.065 350 L HN 0.360 nan 8.230 nan 0.000 0.457 351 H N -1.455 117.622 119.070 0.011 0.000 2.820 351 H HA -0.165 4.391 4.556 -0.000 0.000 0.295 351 H C 0.008 175.355 175.328 0.032 0.000 1.187 351 H CA 0.365 56.429 56.048 0.026 0.000 1.144 351 H CB -1.915 27.855 29.762 0.012 0.000 1.354 351 H HN 0.218 nan 8.280 nan 0.000 0.395 352 I N 2.711 123.331 120.570 0.084 0.000 2.352 352 I HA 0.164 4.334 4.170 -0.000 0.000 0.290 352 I C -1.670 174.531 176.117 0.140 0.000 1.036 352 I CA -1.793 59.557 61.300 0.084 0.000 1.336 352 I CB 0.905 38.928 38.000 0.037 0.000 1.407 352 I HN -0.053 nan 8.210 nan 0.000 0.497 353 P HA 0.108 nan 4.420 nan 0.000 0.276 353 P C -1.475 175.848 177.300 0.038 0.000 1.243 353 P CA 0.231 63.349 63.100 0.030 0.000 0.768 353 P CB 0.290 31.985 31.700 -0.007 0.000 0.856 354 Y N 0.264 120.485 120.300 -0.132 0.000 2.588 354 Y HA 0.720 5.269 4.550 -0.000 0.000 0.343 354 Y C -0.836 174.881 175.900 -0.305 0.000 1.065 354 Y CA -1.314 56.653 58.100 -0.221 0.000 1.038 354 Y CB 1.733 40.091 38.460 -0.169 0.000 1.297 354 Y HN 0.156 nan 8.280 nan 0.000 0.467 355 K N 0.629 120.724 120.400 -0.509 0.000 2.395 355 K HA 0.728 5.048 4.320 -0.000 0.000 0.245 355 K C -1.107 175.323 176.600 -0.282 0.000 1.017 355 K CA -0.961 55.008 56.287 -0.530 0.000 0.852 355 K CB 2.405 34.493 32.500 -0.685 0.000 1.311 355 K HN 0.932 nan 8.250 nan 0.000 0.452 356 T N -2.504 112.043 114.554 -0.012 0.000 2.916 356 T HA 0.648 4.998 4.350 -0.000 0.000 0.292 356 T C -0.899 173.950 174.700 0.248 0.000 1.055 356 T CA -0.725 61.479 62.100 0.174 0.000 1.009 356 T CB 1.427 70.400 68.868 0.175 0.000 1.118 356 T HN 0.173 nan 8.240 nan 0.000 0.497 357 V N 1.715 121.777 119.914 0.247 0.000 2.638 357 V HA 0.645 4.765 4.120 -0.000 0.000 0.306 357 V C -0.437 175.734 176.094 0.129 0.000 1.052 357 V CA -0.849 61.554 62.300 0.172 0.000 0.885 357 V CB 1.965 33.865 31.823 0.130 0.000 0.999 357 V HN 1.020 nan 8.190 nan 0.000 0.424 358 K N 3.060 123.528 120.400 0.113 0.000 2.345 358 K HA 0.828 5.148 4.320 -0.000 0.000 0.255 358 K C -1.831 174.831 176.600 0.103 0.000 0.934 358 K CA -0.498 55.860 56.287 0.119 0.000 0.801 358 K CB 2.278 34.861 32.500 0.138 0.000 1.137 358 K HN 0.471 nan 8.250 nan 0.000 0.424 359 V N 3.446 123.420 119.914 0.098 0.000 2.588 359 V HA 0.241 4.361 4.120 -0.000 0.000 0.304 359 V C -1.246 174.899 176.094 0.084 0.000 1.042 359 V CA -0.930 61.411 62.300 0.069 0.000 0.877 359 V CB 2.000 33.841 31.823 0.029 0.000 0.996 359 V HN 0.759 nan 8.190 nan 0.000 0.425 360 D N 2.949 123.403 120.400 0.090 0.000 2.373 360 D HA 0.645 5.285 4.640 -0.000 0.000 0.227 360 D C 0.001 176.269 176.300 -0.053 0.000 1.091 360 D CA 0.348 54.384 54.000 0.060 0.000 0.840 360 D CB 1.939 42.860 40.800 0.203 0.000 1.060 360 D HN 0.495 nan 8.370 nan 0.000 0.502 361 S N 0.762 116.359 115.700 -0.172 0.000 3.132 361 S HA 0.785 5.255 4.470 -0.000 0.000 0.322 361 S C -0.921 173.567 174.600 -0.186 0.000 1.124 361 S CA -0.440 57.683 58.200 -0.129 0.000 0.906 361 S CB 1.062 64.208 63.200 -0.089 0.000 1.349 361 S HN 0.462 nan 8.310 nan 0.000 0.686 362 T N 0.993 115.468 114.554 -0.131 0.000 2.906 362 T HA 0.570 4.920 4.350 -0.000 0.000 0.295 362 T C -0.514 174.127 174.700 -0.098 0.000 1.075 362 T CA -0.982 61.042 62.100 -0.127 0.000 1.005 362 T CB 0.991 69.806 68.868 -0.088 0.000 1.136 362 T HN 0.729 nan 8.240 nan 0.000 0.498 366 G N 0.866 109.505 108.800 -0.267 0.000 2.448 366 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.219 366 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.219 366 G C 1.036 175.904 174.900 -0.054 0.000 1.127 366 G CA 1.977 47.011 45.100 -0.109 0.000 0.766 366 G HN 1.452 nan 8.290 nan 0.000 0.552 367 Y N -1.495 118.859 120.300 0.090 0.000 2.544 367 Y HA 0.372 4.922 4.550 -0.000 0.000 0.286 367 Y C 0.926 176.875 175.900 0.082 0.000 1.141 367 Y CA -1.761 56.383 58.100 0.073 0.000 1.299 367 Y CB -0.808 37.694 38.460 0.070 0.000 1.030 367 Y HN 0.115 nan 8.280 nan 0.000 0.543 368 Y N 5.297 125.518 120.300 -0.132 0.000 2.359 368 Y HA 0.332 4.882 4.550 -0.000 0.000 0.330 368 Y C -2.071 173.811 175.900 -0.031 0.000 1.143 368 Y CA -3.507 54.571 58.100 -0.036 0.000 1.318 368 Y CB 0.499 38.867 38.460 -0.154 0.000 1.234 368 Y HN -0.022 nan 8.280 nan 0.000 0.522 369 P HA -0.088 nan 4.420 nan 0.000 0.265 369 P C -0.766 176.475 177.300 -0.099 0.000 1.193 369 P CA 0.504 63.447 63.100 -0.262 0.000 0.765 369 P CB 0.465 31.943 31.700 -0.370 0.000 0.823 370 N N -1.178 117.499 118.700 -0.038 0.000 2.741 370 N HA -0.184 4.556 4.740 -0.000 0.000 0.251 370 N C 0.121 175.648 175.510 0.029 0.000 1.112 370 N CA 0.630 53.680 53.050 0.000 0.000 0.750 370 N CB -1.390 37.098 38.487 0.000 0.000 1.119 370 N HN 0.670 nan 8.380 nan 0.000 0.561 371 A N 0.795 123.638 122.820 0.038 0.000 2.546 371 A HA 0.223 4.543 4.320 -0.000 0.000 0.243 371 A C 0.656 178.232 177.584 -0.015 0.000 1.063 371 A CA 0.577 52.622 52.037 0.013 0.000 0.757 371 A CB 0.527 19.525 19.000 -0.003 0.000 0.991 371 A HN 0.131 nan 8.150 nan 0.000 0.503 372 K N 2.389 122.768 120.400 -0.034 0.000 2.267 372 K HA 0.517 4.837 4.320 -0.000 0.000 0.246 372 K C -2.976 173.563 176.600 -0.103 0.000 0.954 372 K CA -2.056 54.202 56.287 -0.048 0.000 0.824 372 K CB 1.316 33.794 32.500 -0.036 0.000 1.167 372 K HN 0.330 nan 8.250 nan 0.000 0.431 373 P HA 0.170 nan 4.420 nan 0.000 0.269 373 P C -0.917 176.112 177.300 -0.452 0.000 1.209 373 P CA -0.411 62.507 63.100 -0.303 0.000 0.776 373 P CB 0.452 31.992 31.700 -0.266 0.000 0.876 374 L N 3.725 124.572 121.223 -0.626 0.000 2.439 374 L HA 0.442 4.782 4.340 -0.000 0.000 0.270 374 L C -1.657 174.819 176.870 -0.657 0.000 0.972 374 L CA -0.521 54.018 54.840 -0.503 0.000 0.836 374 L CB 0.953 42.874 42.059 -0.230 0.000 1.255 374 L HN 0.247 nan 8.230 nan 0.000 0.404 375 Y N 5.568 125.758 120.300 -0.182 0.000 2.331 375 Y HA 0.686 5.235 4.550 -0.000 0.000 0.338 375 Y C -0.413 175.434 175.900 -0.089 0.000 0.992 375 Y CA -0.603 57.383 58.100 -0.191 0.000 1.121 375 Y CB 1.642 39.796 38.460 -0.511 0.000 1.184 375 Y HN 0.513 nan 8.280 nan 0.000 0.469 376 L N 4.356 125.635 121.223 0.093 0.000 2.436 376 L HA 0.605 4.944 4.340 -0.000 0.000 0.268 376 L C -1.310 175.623 176.870 0.106 0.000 0.974 376 L CA -0.668 54.220 54.840 0.080 0.000 0.826 376 L CB 1.767 43.848 42.059 0.036 0.000 1.291 376 L HN 0.628 nan 8.230 nan 0.000 0.406 377 K N 5.346 125.814 120.400 0.112 0.000 2.397 377 K HA 0.687 5.007 4.320 -0.000 0.000 0.253 377 K C -1.899 174.760 176.600 0.098 0.000 0.932 377 K CA -0.616 55.741 56.287 0.117 0.000 0.795 377 K CB 1.589 34.172 32.500 0.138 0.000 1.159 377 K HN 0.626 nan 8.250 nan 0.000 0.424 378 L N 4.107 125.396 121.223 0.110 0.000 2.354 378 L HA 0.560 4.900 4.340 -0.000 0.000 0.269 378 L C -1.034 175.942 176.870 0.177 0.000 1.005 378 L CA -1.327 53.583 54.840 0.116 0.000 0.819 378 L CB 1.578 43.693 42.059 0.093 0.000 1.311 378 L HN 0.457 nan 8.230 nan 0.000 0.423 379 L N 2.390 123.701 121.223 0.148 0.000 2.346 379 L HA 0.603 4.943 4.340 -0.000 0.000 0.274 379 L C -0.868 176.137 176.870 0.224 0.000 1.007 379 L CA -0.311 54.617 54.840 0.146 0.000 0.818 379 L CB 1.658 43.701 42.059 -0.026 0.000 1.284 379 L HN 0.452 nan 8.230 nan 0.000 0.424 380 Y N -0.651 119.696 120.300 0.078 0.000 2.571 380 Y HA 0.680 5.230 4.550 -0.000 0.000 0.341 380 Y C -0.537 175.414 175.900 0.086 0.000 1.076 380 Y CA -1.490 56.637 58.100 0.045 0.000 1.029 380 Y CB 1.161 39.616 38.460 -0.009 0.000 1.308 380 Y HN 0.345 nan 8.280 nan 0.000 0.461 381 R N 1.412 121.991 120.500 0.132 0.000 2.489 381 R HA 0.124 4.464 4.340 -0.000 0.000 0.287 381 R C 0.935 177.259 176.300 0.040 0.000 1.053 381 R CA 0.644 56.782 56.100 0.062 0.000 1.036 381 R CB 0.947 31.297 30.300 0.083 0.000 0.966 381 R HN 1.034 nan 8.270 nan 0.000 0.432 382 S N 1.406 117.074 115.700 -0.054 0.000 2.428 382 S HA -0.142 4.328 4.470 -0.000 0.000 0.230 382 S C 1.076 175.706 174.600 0.049 0.000 1.014 382 S CA 1.188 59.361 58.200 -0.045 0.000 0.957 382 S CB -0.047 63.084 63.200 -0.116 0.000 0.784 382 S HN 0.730 nan 8.310 nan 0.000 0.499 383 D N 2.611 123.039 120.400 0.046 0.000 2.154 383 D HA -0.089 4.551 4.640 -0.000 0.000 0.211 383 D C 2.083 178.430 176.300 0.078 0.000 0.977 383 D CA 1.943 55.975 54.000 0.054 0.000 0.869 383 D CB -1.444 39.378 40.800 0.037 0.000 1.022 383 D HN 0.558 nan 8.370 nan 0.000 0.461 384 T N -3.539 111.063 114.554 0.080 0.000 3.081 384 T HA 0.190 4.540 4.350 -0.000 0.000 0.255 384 T C 0.650 175.416 174.700 0.110 0.000 1.113 384 T CA 0.333 62.481 62.100 0.080 0.000 1.082 384 T CB -0.158 68.747 68.868 0.061 0.000 0.939 384 T HN 0.126 nan 8.240 nan 0.000 0.506 385 K N 0.191 120.688 120.400 0.162 0.000 3.407 385 K HA -0.191 4.129 4.320 -0.000 0.000 0.312 385 K C 0.292 176.977 176.600 0.142 0.000 1.302 385 K CA 0.837 57.254 56.287 0.216 0.000 0.931 385 K CB -2.011 30.579 32.500 0.151 0.000 1.257 385 K HN 0.719 nan 8.250 nan 0.000 0.454 386 Q N 1.023 120.891 119.800 0.113 0.000 2.269 386 Q HA 0.012 4.351 4.340 -0.000 0.000 0.300 386 Q C -0.347 175.715 176.000 0.103 0.000 1.070 386 Q CA 0.056 55.907 55.803 0.079 0.000 0.957 386 Q CB 0.367 29.139 28.738 0.057 0.000 1.131 386 Q HN 0.280 nan 8.270 nan 0.000 0.377 387 L N 4.987 126.250 121.223 0.067 0.000 2.499 387 L HA -0.052 4.288 4.340 -0.000 0.000 0.273 387 L C 0.174 177.082 176.870 0.062 0.000 1.195 387 L CA 0.912 55.796 54.840 0.073 0.000 0.882 387 L CB 0.472 42.552 42.059 0.034 0.000 1.133 387 L HN 0.845 nan 8.230 nan 0.000 0.483 388 L N 4.149 125.412 121.223 0.066 0.000 2.609 388 L HA 0.519 4.859 4.340 -0.000 0.000 0.230 388 L C 0.869 177.742 176.870 0.004 0.000 1.064 388 L CA 0.346 55.199 54.840 0.022 0.000 0.873 388 L CB 0.134 42.189 42.059 -0.007 0.000 1.139 388 L HN 0.816 nan 8.230 nan 0.000 0.490 389 G N -1.065 107.743 108.800 0.013 0.000 2.356 389 G HA2 0.503 4.463 3.960 -0.000 0.000 0.294 389 G HA3 0.503 4.463 3.960 -0.000 0.000 0.294 389 G C -1.695 173.214 174.900 0.014 0.000 1.423 389 G CA 0.023 45.122 45.100 -0.002 0.000 0.806 389 G HN 0.044 nan 8.290 nan 0.000 0.527 390 G N -1.135 107.669 108.800 0.006 0.000 2.720 390 G HA2 0.652 4.612 3.960 -0.000 0.000 0.295 390 G HA3 0.652 4.612 3.960 -0.000 0.000 0.295 390 G C -1.485 173.430 174.900 0.025 0.000 1.437 390 G CA -0.504 44.612 45.100 0.028 0.000 0.886 390 G HN 0.583 nan 8.290 nan 0.000 0.509 391 Q N -0.402 119.440 119.800 0.069 0.000 2.323 391 Q HA 0.644 4.984 4.340 -0.000 0.000 0.271 391 Q C -1.074 175.019 176.000 0.155 0.000 1.048 391 Q CA -0.832 55.051 55.803 0.134 0.000 0.792 391 Q CB 3.387 32.245 28.738 0.201 0.000 1.280 391 Q HN 0.413 nan 8.270 nan 0.000 0.441 392 V N 3.688 123.703 119.914 0.168 0.000 2.577 392 V HA 0.592 4.712 4.120 -0.000 0.000 0.303 392 V C -0.699 175.457 176.094 0.104 0.000 1.042 392 V CA -0.557 61.809 62.300 0.109 0.000 0.872 392 V CB 1.709 33.571 31.823 0.066 0.000 0.998 392 V HN 0.683 nan 8.190 nan 0.000 0.423 393 I N 3.260 123.863 120.570 0.056 0.000 2.582 393 I HA 0.921 5.090 4.170 -0.000 0.000 0.292 393 I C 0.447 176.580 176.117 0.026 0.000 1.066 393 I CA -0.235 61.075 61.300 0.016 0.000 1.053 393 I CB 2.279 40.241 38.000 -0.063 0.000 1.241 393 I HN 0.868 nan 8.210 nan 0.000 0.421 394 G N 3.858 112.672 108.800 0.023 0.000 2.321 394 G HA2 0.167 4.127 3.960 -0.000 0.000 0.296 394 G HA3 0.167 4.127 3.960 -0.000 0.000 0.296 394 G C -0.443 174.464 174.900 0.012 0.000 1.287 394 G CA -0.451 44.655 45.100 0.010 0.000 0.846 394 G HN 0.565 nan 8.290 nan 0.000 0.508 395 E N -0.250 119.950 120.200 0.000 0.000 2.140 395 E HA 0.232 4.582 4.350 -0.000 0.000 0.191 395 E C 0.249 176.848 176.600 -0.002 0.000 0.973 395 E CA 0.838 57.241 56.400 0.005 0.000 0.829 395 E CB 0.431 30.136 29.700 0.008 0.000 0.781 395 E HN 0.378 nan 8.360 nan 0.000 0.466 396 E N -1.929 118.265 120.200 -0.011 0.000 2.383 396 E HA 0.439 4.789 4.350 -0.000 0.000 0.275 396 E C -0.353 176.241 176.600 -0.010 0.000 0.918 396 E CA 0.148 56.544 56.400 -0.007 0.000 0.764 396 E CB 2.100 31.796 29.700 -0.007 0.000 1.252 396 E HN 0.083 nan 8.360 nan 0.000 0.449 397 G N 0.339 109.140 108.800 0.001 0.000 2.148 397 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 397 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 397 G C 0.858 175.759 174.900 0.002 0.000 0.981 397 G CA 0.541 45.644 45.100 0.005 0.000 0.670 397 G HN 0.348 nan 8.290 nan 0.000 0.528 398 V N 1.689 121.605 119.914 0.003 0.000 2.379 398 V HA -0.104 4.016 4.120 -0.000 0.000 0.245 398 V C 2.815 178.918 176.094 0.016 0.000 1.044 398 V CA 2.598 64.905 62.300 0.012 0.000 1.036 398 V CB -0.372 31.463 31.823 0.020 0.000 0.664 398 V HN 0.684 nan 8.190 nan 0.000 0.453 399 D N 0.938 121.345 120.400 0.012 0.000 2.144 399 D HA -0.272 4.368 4.640 -0.000 0.000 0.199 399 D C 1.969 178.270 176.300 0.000 0.000 0.984 399 D CA 1.601 55.605 54.000 0.007 0.000 0.834 399 D CB -0.374 40.426 40.800 -0.001 0.000 0.955 399 D HN 0.456 nan 8.370 nan 0.000 0.465 400 K N 0.307 120.708 120.400 0.001 0.000 2.026 400 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 400 K C 2.259 178.860 176.600 0.001 0.000 1.048 400 K CA 0.984 57.270 56.287 -0.002 0.000 0.929 400 K CB 0.120 32.622 32.500 0.004 0.000 0.713 400 K HN -0.121 nan 8.250 nan 0.000 0.439 401 R N 0.523 121.028 120.500 0.008 0.000 2.075 401 R HA -0.031 4.309 4.340 -0.000 0.000 0.232 401 R C 2.151 178.459 176.300 0.012 0.000 1.126 401 R CA 1.015 57.122 56.100 0.011 0.000 0.963 401 R CB -0.615 29.693 30.300 0.013 0.000 0.858 401 R HN 0.243 nan 8.270 nan 0.000 0.435 402 I N 0.916 121.495 120.570 0.014 0.000 2.361 402 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 402 I C 0.947 177.064 176.117 -0.001 0.000 1.133 402 I CA 1.598 62.906 61.300 0.012 0.000 1.413 402 I CB -0.191 37.821 38.000 0.019 0.000 1.073 402 I HN 0.102 nan 8.210 nan 0.000 0.424 403 D N -0.513 119.882 120.400 -0.008 0.000 2.144 403 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 403 D C 2.437 178.728 176.300 -0.015 0.000 0.978 403 D CA 1.131 55.119 54.000 -0.020 0.000 0.833 403 D CB -0.270 40.513 40.800 -0.029 0.000 0.961 403 D HN 0.187 nan 8.370 nan 0.000 0.470 404 V N 1.055 120.965 119.914 -0.006 0.000 2.343 404 V HA -0.218 3.901 4.120 -0.000 0.000 0.247 404 V C 2.434 178.534 176.094 0.010 0.000 1.051 404 V CA 1.157 63.458 62.300 0.001 0.000 1.036 404 V CB -0.363 31.464 31.823 0.006 0.000 0.654 404 V HN 0.196 nan 8.190 nan 0.000 0.451 405 I N 0.103 120.680 120.570 0.012 0.000 2.286 405 I HA -0.126 4.044 4.170 -0.000 0.000 0.248 405 I C 1.748 177.878 176.117 0.021 0.000 1.115 405 I CA 0.802 62.112 61.300 0.018 0.000 1.392 405 I CB -0.512 37.499 38.000 0.018 0.000 1.065 405 I HN 0.294 nan 8.210 nan 0.000 0.418 409 L N -0.500 120.761 121.223 0.063 0.000 2.012 409 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 409 L C 2.398 179.306 176.870 0.064 0.000 1.073 409 L CA 2.282 57.154 54.840 0.053 0.000 0.748 409 L CB -0.566 41.521 42.059 0.048 0.000 0.891 409 L HN 0.561 nan 8.230 nan 0.000 0.431 410 F N 1.227 121.154 119.950 -0.038 0.000 2.161 410 F HA -0.219 4.308 4.527 -0.000 0.000 0.300 410 F C 2.208 177.990 175.800 -0.028 0.000 1.089 410 F CA 1.553 59.525 58.000 -0.046 0.000 1.282 410 F CB -0.217 38.751 39.000 -0.053 0.000 1.010 410 F HN 0.137 nan 8.300 nan 0.000 0.485 411 N N 0.850 119.592 118.700 0.069 0.000 2.383 411 N HA 0.002 4.742 4.740 -0.000 0.000 0.192 411 N C 0.094 175.576 175.510 -0.046 0.000 1.141 411 N CA 0.253 53.298 53.050 -0.007 0.000 0.851 411 N CB 0.077 38.611 38.487 0.079 0.000 0.976 411 N HN 0.145 nan 8.380 nan 0.000 0.465 415 I N 2.522 123.013 120.570 -0.130 0.000 2.264 415 I HA -0.152 4.018 4.170 -0.000 0.000 0.248 415 I C 1.846 177.800 176.117 -0.271 0.000 1.111 415 I CA 1.602 62.746 61.300 -0.261 0.000 1.382 415 I CB -0.119 37.579 38.000 -0.503 0.000 1.060 415 I HN 0.804 nan 8.210 nan 0.000 0.418 416 H N 0.223 119.244 119.070 -0.082 0.000 2.524 416 H HA -0.068 4.487 4.556 -0.000 0.000 0.282 416 H C 1.428 176.749 175.328 -0.012 0.000 1.016 416 H CA 1.003 57.016 56.048 -0.058 0.000 1.270 416 H CB -0.211 29.515 29.762 -0.059 0.000 1.394 416 H HN 0.447 nan 8.280 nan 0.000 0.568 417 D N 0.619 121.070 120.400 0.084 0.000 2.224 417 D HA -0.068 4.572 4.640 -0.000 0.000 0.205 417 D C 2.320 178.656 176.300 0.061 0.000 0.965 417 D CA 0.159 54.200 54.000 0.068 0.000 0.852 417 D CB -0.082 40.746 40.800 0.047 0.000 0.947 417 D HN 0.312 nan 8.370 nan 0.000 0.494 418 L N 0.910 122.160 121.223 0.044 0.000 2.079 418 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 418 L C 2.141 179.070 176.870 0.099 0.000 1.081 418 L CA 1.188 56.059 54.840 0.051 0.000 0.752 418 L CB -0.418 41.654 42.059 0.023 0.000 0.896 418 L HN 0.027 nan 8.230 nan 0.000 0.433 419 E N -0.170 120.111 120.200 0.135 0.000 2.273 419 E HA -0.226 4.124 4.350 -0.000 0.000 0.198 419 E C 1.055 177.790 176.600 0.225 0.000 1.002 419 E CA 1.166 57.712 56.400 0.245 0.000 0.828 419 E CB -0.076 29.753 29.700 0.215 0.000 0.747 419 E HN 0.538 nan 8.360 nan 0.000 0.491 420 D N 0.015 120.490 120.400 0.125 0.000 2.349 420 D HA 0.033 4.673 4.640 -0.000 0.000 0.214 420 D C -0.004 176.318 176.300 0.037 0.000 1.063 420 D CA 0.158 54.204 54.000 0.077 0.000 0.847 420 D CB 0.609 41.446 40.800 0.062 0.000 0.933 420 D HN -0.058 nan 8.370 nan 0.000 0.513 421 V N 1.750 121.686 119.914 0.038 0.000 2.583 421 V HA 0.013 4.133 4.120 -0.000 0.000 0.287 421 V C 0.510 176.596 176.094 -0.014 0.000 1.051 421 V CA -0.512 61.796 62.300 0.014 0.000 1.010 421 V CB 1.562 33.397 31.823 0.020 0.000 0.988 421 V HN -0.084 nan 8.190 nan 0.000 0.478 422 D N 4.792 125.178 120.400 -0.024 0.000 2.619 422 D HA 0.236 4.876 4.640 -0.000 0.000 0.224 422 D C 0.057 176.336 176.300 -0.035 0.000 1.133 422 D CA 0.012 53.986 54.000 -0.044 0.000 1.017 422 D CB -0.311 40.466 40.800 -0.039 0.000 1.077 422 D HN 0.408 nan 8.370 nan 0.000 0.503 423 L N 1.115 122.318 121.223 -0.033 0.000 2.453 423 L HA 0.207 4.547 4.340 -0.000 0.000 0.261 423 L C 1.184 178.045 176.870 -0.014 0.000 1.179 423 L CA -0.754 54.074 54.840 -0.020 0.000 0.813 423 L CB 0.820 42.876 42.059 -0.005 0.000 1.110 423 L HN 0.269 nan 8.230 nan 0.000 0.466 424 S N 1.046 116.739 115.700 -0.013 0.000 2.564 424 S HA 0.245 4.715 4.470 -0.000 0.000 0.278 424 S C -0.868 173.781 174.600 0.081 0.000 1.333 424 S CA -0.344 57.850 58.200 -0.010 0.000 1.048 424 S CB 0.517 63.670 63.200 -0.079 0.000 0.900 424 S HN 0.527 nan 8.310 nan 0.000 0.505 425 Y N 1.376 121.639 120.300 -0.062 0.000 2.401 425 Y HA 0.585 5.135 4.550 -0.000 0.000 0.330 425 Y C -0.768 175.134 175.900 0.003 0.000 1.071 425 Y CA -0.544 57.538 58.100 -0.031 0.000 1.049 425 Y CB 0.977 39.401 38.460 -0.059 0.000 1.239 425 Y HN 1.158 nan 8.280 nan 0.000 0.437 426 A N 6.326 128.780 122.820 -0.610 0.000 2.587 426 A HA 0.640 4.960 4.320 -0.000 0.000 0.293 426 A C -2.693 174.501 177.584 -0.651 0.000 1.087 426 A CA -1.935 49.656 52.037 -0.743 0.000 0.692 426 A CB 1.605 20.507 19.000 -0.163 0.000 1.291 426 A HN 0.527 nan 8.150 nan 0.000 0.407 427 P HA -0.096 nan 4.420 nan 0.000 0.216 427 P C -1.559 175.214 177.300 -0.878 0.000 1.150 427 P CA 1.792 64.638 63.100 -0.424 0.000 0.843 427 P CB -0.622 30.980 31.700 -0.164 0.000 0.787 428 P HA -0.067 nan 4.420 nan 0.000 0.237 428 P C 0.394 177.042 177.300 -1.088 0.000 1.178 428 P CA 1.284 63.538 63.100 -1.410 0.000 0.766 428 P CB -0.372 30.563 31.700 -1.276 0.000 0.876 429 Y N -3.329 116.798 120.300 -0.288 0.000 2.512 429 Y HA 0.334 4.884 4.550 -0.000 0.000 0.268 429 Y C 1.099 176.960 175.900 -0.065 0.000 1.102 429 Y CA -0.275 57.739 58.100 -0.144 0.000 1.261 429 Y CB 0.461 38.849 38.460 -0.120 0.000 1.250 429 Y HN -0.124 nan 8.280 nan 0.000 0.506 430 N N -1.360 117.413 118.700 0.122 0.000 3.179 430 N HA 0.305 5.044 4.740 -0.000 0.000 0.250 430 N C -1.398 174.246 175.510 0.223 0.000 1.507 430 N CA -0.252 52.899 53.050 0.168 0.000 0.883 430 N CB 1.677 40.299 38.487 0.225 0.000 1.435 430 N HN -0.139 nan 8.380 nan 0.000 0.532 431 S N -0.465 115.269 115.700 0.056 0.000 2.713 431 S HA 0.324 4.794 4.470 -0.000 0.000 0.283 431 S C 1.643 175.888 174.600 -0.592 0.000 1.161 431 S CA -0.607 57.499 58.200 -0.157 0.000 0.999 431 S CB 1.393 64.539 63.200 -0.089 0.000 1.039 431 S HN 0.354 nan 8.310 nan 0.000 0.548 432 V N -1.217 118.108 119.914 -0.981 0.000 2.392 432 V HA -0.105 4.014 4.120 -0.000 0.000 0.249 432 V C 0.104 175.831 176.094 -0.611 0.000 1.059 432 V CA 1.106 62.740 62.300 -1.110 0.000 1.051 432 V CB -0.683 30.724 31.823 -0.694 0.000 0.658 432 V HN 0.714 nan 8.190 nan 0.000 0.455 433 W N 0.631 121.773 121.300 -0.263 0.000 2.376 433 W HA 0.456 5.116 4.660 -0.000 0.000 0.312 433 W C 0.218 176.669 176.519 -0.114 0.000 1.060 433 W CA -0.750 56.510 57.345 -0.140 0.000 1.221 433 W CB 0.444 29.847 29.460 -0.096 0.000 1.281 433 W HN -0.052 nan 8.180 nan 0.000 0.456 434 D N 4.153 124.630 120.400 0.128 0.000 2.423 434 D HA -0.024 4.616 4.640 -0.000 0.000 0.238 434 D C -1.325 175.028 176.300 0.089 0.000 1.142 434 D CA -0.897 53.151 54.000 0.080 0.000 0.884 434 D CB 1.763 42.601 40.800 0.063 0.000 1.199 434 D HN 0.061 nan 8.370 nan 0.000 0.438 435 P HA -0.149 nan 4.420 nan 0.000 0.217 435 P C 1.497 178.812 177.300 0.026 0.000 1.151 435 P CA 1.174 64.286 63.100 0.020 0.000 0.849 435 P CB 0.144 31.840 31.700 -0.007 0.000 0.787 436 I N -1.105 119.485 120.570 0.033 0.000 2.208 436 I HA -0.295 3.874 4.170 -0.000 0.000 0.245 436 I C 2.430 178.567 176.117 0.034 0.000 1.097 436 I CA 1.645 62.962 61.300 0.029 0.000 1.363 436 I CB -0.624 37.394 38.000 0.030 0.000 1.051 436 I HN 0.020 nan 8.210 nan 0.000 0.413 437 Q N 0.036 119.884 119.800 0.080 0.000 2.137 437 Q HA -0.196 4.143 4.340 -0.000 0.000 0.198 437 Q C 2.263 178.282 176.000 0.031 0.000 0.960 437 Q CA 1.050 56.926 55.803 0.122 0.000 0.847 437 Q CB -0.071 28.857 28.738 0.317 0.000 0.915 437 Q HN 0.542 nan 8.270 nan 0.000 0.448 438 Q N 0.371 120.179 119.800 0.013 0.000 2.077 438 Q HA -0.211 4.129 4.340 -0.000 0.000 0.206 438 Q C 2.130 178.086 176.000 -0.072 0.000 0.989 438 Q CA 1.639 57.394 55.803 -0.080 0.000 0.853 438 Q CB -0.280 28.434 28.738 -0.041 0.000 0.907 438 Q HN 0.388 nan 8.270 nan 0.000 0.418 439 A N 0.993 123.793 122.820 -0.034 0.000 1.873 439 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 439 A C 2.339 179.881 177.584 -0.071 0.000 1.186 439 A CA 1.503 53.522 52.037 -0.030 0.000 0.616 439 A CB -0.945 18.054 19.000 -0.002 0.000 0.823 439 A HN 0.407 nan 8.150 nan 0.000 0.442 440 A N 0.009 122.778 122.820 -0.084 0.000 1.917 440 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 440 A C 2.217 179.740 177.584 -0.101 0.000 1.182 440 A CA 1.803 53.747 52.037 -0.155 0.000 0.633 440 A CB -0.514 18.430 19.000 -0.094 0.000 0.819 440 A HN 0.568 nan 8.150 nan 0.000 0.448 441 R N -0.908 119.556 120.500 -0.061 0.000 2.148 441 R HA -0.034 4.306 4.340 -0.000 0.000 0.227 441 R C 2.037 178.323 176.300 -0.023 0.000 1.103 441 R CA 1.088 57.159 56.100 -0.049 0.000 0.983 441 R CB -0.165 30.009 30.300 -0.209 0.000 0.874 441 R HN 0.448 nan 8.270 nan 0.000 0.451 442 R N 0.405 120.881 120.500 -0.041 0.000 2.275 442 R HA 0.167 4.507 4.340 -0.000 0.000 0.199 442 R C 0.722 177.032 176.300 0.018 0.000 0.989 442 R CA 0.362 56.455 56.100 -0.013 0.000 1.016 442 R CB 0.017 30.311 30.300 -0.008 0.000 0.918 442 R HN 0.059 nan 8.270 nan 0.000 0.473 443 A N 1.997 124.792 122.820 -0.042 0.000 2.425 443 A HA 0.096 4.416 4.320 -0.000 0.000 0.242 443 A C 0.279 177.920 177.584 0.096 0.000 1.077 443 A CA -0.238 51.719 52.037 -0.133 0.000 0.781 443 A CB 0.398 18.914 19.000 -0.808 0.000 1.020 443 A HN 0.180 nan 8.150 nan 0.000 0.494 444 E N 0.000 120.319 120.200 0.198 0.000 2.725 444 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 444 E CA 0.000 56.536 56.400 0.226 0.000 0.976 444 E CB 0.000 29.836 29.700 0.227 0.000 0.812 444 E HN 0.000 nan 8.360 nan 0.000 0.440