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 3aeg_1_A DATA FIRST_RESID 10 DATA SEQUENCE STQYPVVDHE FDAVVVGAGG AGLRAAFGLS EAGFNTACVT KLFPTRSHTV DATA SEQUENCE AAQGGINAAL GNMEEDNWRW HFYDTVKGSD WLGDQDAIHY MTEQAPASVV DATA SEQUENCE ELENYGMPFS RTEDGKIYQR AFGGQSLKFG KGGQAHRCCC VADRTGHSLL DATA SEQUENCE HTLYGRSLRY DTSYFVEYFA LDLLMENGEC RGVIALCIED GSIHRIRARN DATA SEQUENCE TVVATGGYGR TYFSCTSAHT STGDGTAMVT RAGLPCQDLE FVQFHPTGIY DATA SEQUENCE GAGCLITEGC RGEGGILINS QGERFMERYA PVAKDLASRD VVSRSMTLEI DATA SEQUENCE REGRGCGPEK DHVYLQLHHL PPEQLAVRLP GISETAMIFA GVDVTKEPIP DATA SEQUENCE VLPTVHYNMG GIPTNYKGQV LRHVNGQDQV VPGLYACGEA ACASVHGANR DATA SEQUENCE LGANSLLDLV VFGRACALSI AESCRPGDKV PSIKPNAGEE SVMNLDKLRF DATA SEQUENCE ANGTIRTSEL RLSMQKSMQS HAAVFRVGSV LQEGCEKILR LYGDLQHLKT DATA SEQUENCE FDRGMVWNTD LVETLELQNL MLCALQTIYG AEARKESRGA HAREDFKERV DATA SEQUENCE DEYDYSKPIQ GQQKKPFQEH WRKHTLSYVD VKTGKVSLEY RPVIDKTLNE DATA SEQUENCE ADCATVPPAI RSY 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.622 174.600 0.037 0.000 1.055 10 S CA 0.000 58.223 58.200 0.038 0.000 1.107 10 S CB 0.000 63.215 63.200 0.025 0.000 0.593 11 T N -0.498 114.077 114.554 0.035 0.000 6.355 11 T HA -0.365 1.543 4.350 -4.071 0.000 0.325 11 T C 1.070 175.776 174.700 0.010 0.000 1.258 11 T CA 2.192 64.305 62.100 0.022 0.000 2.332 11 T CB -1.244 67.629 68.868 0.009 0.000 2.396 11 T HN 0.624 nan 8.240 nan 0.000 1.078 12 Q N 0.585 120.401 119.800 0.026 0.000 2.008 12 Q HA 0.227 2.125 4.340 -4.071 0.000 0.196 12 Q C 0.308 176.238 176.000 -0.118 0.000 0.973 12 Q CA 1.085 56.870 55.803 -0.030 0.000 0.826 12 Q CB -0.026 28.722 28.738 0.018 0.000 0.894 12 Q HN 0.830 nan 8.270 nan 0.000 0.439 13 Y N 1.800 122.094 120.300 -0.009 0.000 2.308 13 Y HA 0.376 2.484 4.550 -4.070 0.000 0.329 13 Y C -1.886 173.992 175.900 -0.037 0.000 1.111 13 Y CA -2.711 55.374 58.100 -0.025 0.000 1.179 13 Y CB 0.853 39.292 38.460 -0.035 0.000 1.201 13 Y HN 0.223 nan 8.280 nan 0.000 0.483 14 P HA 0.056 nan 4.420 nan 0.000 0.271 14 P C -0.960 176.328 177.300 -0.019 0.000 1.226 14 P CA -0.003 63.111 63.100 0.024 0.000 0.765 14 P CB 0.698 32.402 31.700 0.007 0.000 0.835 15 V N 2.306 122.206 119.914 -0.024 0.000 2.398 15 V HA 0.477 2.154 4.120 -4.071 0.000 0.286 15 V C -0.104 175.952 176.094 -0.064 0.000 1.026 15 V CA -0.852 61.417 62.300 -0.051 0.000 0.868 15 V CB 1.716 33.531 31.823 -0.013 0.000 0.982 15 V HN 0.209 nan 8.190 nan 0.000 0.443 16 V N 4.180 124.038 119.914 -0.095 0.000 2.326 16 V HA 0.388 2.065 4.120 -4.071 0.000 0.281 16 V C -0.347 175.670 176.094 -0.128 0.000 1.015 16 V CA -0.317 61.929 62.300 -0.089 0.000 0.823 16 V CB 1.143 32.982 31.823 0.027 0.000 1.009 16 V HN 0.900 nan 8.190 nan 0.000 0.436 17 D N 4.274 124.600 120.400 -0.124 0.000 2.422 17 D HA 0.205 2.403 4.640 -4.071 0.000 0.227 17 D C 0.218 176.462 176.300 -0.093 0.000 1.190 17 D CA -0.075 53.889 54.000 -0.060 0.000 0.905 17 D CB 0.352 41.139 40.800 -0.021 0.000 1.034 17 D HN 0.521 nan 8.370 nan 0.000 0.507 18 H N 1.189 120.343 119.070 0.139 0.000 2.562 18 H HA 0.227 2.341 4.556 -4.071 0.000 0.352 18 H C 0.175 175.554 175.328 0.086 0.000 1.125 18 H CA 0.169 56.310 56.048 0.155 0.000 1.379 18 H CB 1.786 31.766 29.762 0.363 0.000 1.464 18 H HN 0.378 nan 8.280 nan 0.000 0.563 19 E N 2.551 122.763 120.200 0.021 0.000 2.218 19 E HA 0.357 2.265 4.350 -4.071 0.000 0.263 19 E C -1.487 174.927 176.600 -0.310 0.000 0.879 19 E CA -0.365 56.007 56.400 -0.047 0.000 0.762 19 E CB 1.006 30.667 29.700 -0.065 0.000 1.166 19 E HN 0.313 nan 8.360 nan 0.000 0.415 20 F N 1.360 121.356 119.950 0.077 0.000 2.675 20 F HA 0.287 2.371 4.527 -4.070 0.000 0.324 20 F C 1.056 176.895 175.800 0.065 0.000 1.106 20 F CA -0.709 57.334 58.000 0.072 0.000 0.970 20 F CB 1.451 40.489 39.000 0.062 0.000 1.385 20 F HN 0.386 nan 8.300 nan 0.000 0.489 21 D N 0.339 120.927 120.400 0.315 0.000 2.149 21 D HA 0.237 2.435 4.640 -4.071 0.000 0.206 21 D C -0.003 176.388 176.300 0.151 0.000 0.967 21 D CA 1.121 55.268 54.000 0.244 0.000 0.848 21 D CB 0.244 41.267 40.800 0.371 0.000 0.998 21 D HN 0.388 nan 8.370 nan 0.000 0.474 22 A N 0.268 123.152 122.820 0.107 0.000 2.459 22 A HA 0.554 2.432 4.320 -4.071 0.000 0.296 22 A C -0.972 176.560 177.584 -0.087 0.000 1.039 22 A CA -0.570 51.442 52.037 -0.042 0.000 0.698 22 A CB 1.743 20.626 19.000 -0.195 0.000 1.261 22 A HN -0.098 nan 8.150 nan 0.000 0.405 23 V N 1.833 121.678 119.914 -0.115 0.000 2.547 23 V HA 0.611 2.289 4.120 -4.071 0.000 0.299 23 V C -0.342 175.644 176.094 -0.181 0.000 1.040 23 V CA -0.559 61.628 62.300 -0.189 0.000 0.913 23 V CB 1.666 33.382 31.823 -0.179 0.000 0.992 23 V HN 0.678 nan 8.190 nan 0.000 0.449 24 V N 4.635 124.421 119.914 -0.214 0.000 2.407 24 V HA 0.352 2.030 4.120 -4.071 0.000 0.291 24 V C -0.231 175.754 176.094 -0.182 0.000 1.018 24 V CA -0.631 61.562 62.300 -0.180 0.000 0.842 24 V CB 1.867 33.583 31.823 -0.178 0.000 0.996 24 V HN 0.613 nan 8.190 nan 0.000 0.426 25 V N 4.280 124.105 119.914 -0.147 0.000 2.322 25 V HA 0.838 2.516 4.120 -4.071 0.000 0.258 25 V C 0.748 176.768 176.094 -0.122 0.000 1.074 25 V CA 0.414 62.626 62.300 -0.148 0.000 0.909 25 V CB 0.163 31.899 31.823 -0.145 0.000 1.090 25 V HN 1.243 nan 8.190 nan 0.000 0.486 26 G N 3.566 112.295 108.800 -0.119 0.000 2.521 26 G HA2 0.428 1.945 3.960 -4.071 0.000 0.589 26 G HA3 0.428 1.945 3.960 -4.071 0.000 0.589 26 G C -0.235 174.621 174.900 -0.073 0.000 1.501 26 G CA -0.129 44.920 45.100 -0.085 0.000 0.887 26 G HN 1.016 nan 8.290 nan 0.000 0.654 27 A N 0.639 123.428 122.820 -0.052 0.000 2.508 27 A HA 0.764 2.641 4.320 -4.071 0.000 0.257 27 A C 1.434 179.002 177.584 -0.027 0.000 1.226 27 A CA 1.292 53.307 52.037 -0.038 0.000 0.947 27 A CB 0.011 18.981 19.000 -0.051 0.000 1.079 27 A HN 2.129 nan 8.150 nan 0.000 0.531 28 G N -1.222 107.573 108.800 -0.008 0.000 2.653 28 G HA2 0.376 1.893 3.960 -4.071 0.000 0.265 28 G HA3 0.376 1.893 3.960 -4.071 0.000 0.265 28 G C 1.219 176.144 174.900 0.041 0.000 1.237 28 G CA 0.063 45.174 45.100 0.018 0.000 0.946 28 G HN 0.560 nan 8.290 nan 0.000 0.522 29 G N -0.143 108.695 108.800 0.063 0.000 2.597 29 G HA2 -0.121 1.397 3.960 -4.071 0.000 0.222 29 G HA3 -0.121 1.397 3.960 -4.071 0.000 0.222 29 G C 1.875 176.839 174.900 0.107 0.000 1.135 29 G CA 2.081 47.235 45.100 0.091 0.000 0.759 29 G HN 0.978 nan 8.290 nan 0.000 0.595 30 A N 0.556 123.434 122.820 0.096 0.000 1.843 30 A HA 0.301 2.179 4.320 -4.071 0.000 0.213 30 A C 2.784 180.404 177.584 0.060 0.000 1.202 30 A CA 1.947 54.041 52.037 0.096 0.000 0.607 30 A CB -1.140 17.917 19.000 0.096 0.000 0.847 30 A HN 0.614 nan 8.150 nan 0.000 0.445 31 G N -0.434 108.383 108.800 0.029 0.000 2.422 31 G HA2 -0.120 1.397 3.960 -4.071 0.000 0.218 31 G HA3 -0.120 1.397 3.960 -4.071 0.000 0.218 31 G C 1.497 176.399 174.900 0.004 0.000 1.146 31 G CA 1.225 46.318 45.100 -0.011 0.000 0.769 31 G HN 0.374 nan 8.290 nan 0.000 0.547 32 L N 0.271 121.527 121.223 0.055 0.000 2.056 32 L HA 0.144 2.041 4.340 -4.071 0.000 0.207 32 L C 2.774 179.789 176.870 0.242 0.000 1.078 32 L CA 1.754 56.671 54.840 0.127 0.000 0.749 32 L CB -0.385 41.745 42.059 0.117 0.000 0.901 32 L HN 0.196 nan 8.230 nan 0.000 0.433 33 R N -0.258 120.373 120.500 0.219 0.000 2.092 33 R HA -0.045 1.852 4.340 -4.071 0.000 0.231 33 R C 2.108 178.409 176.300 0.001 0.000 1.119 33 R CA 1.553 57.805 56.100 0.254 0.000 0.970 33 R CB -0.672 29.746 30.300 0.198 0.000 0.864 33 R HN 0.407 nan 8.270 nan 0.000 0.440 34 A N 0.109 122.917 122.820 -0.019 0.000 1.930 34 A HA 0.029 1.906 4.320 -4.071 0.000 0.217 34 A C 2.307 179.796 177.584 -0.158 0.000 1.175 34 A CA 1.541 53.508 52.037 -0.116 0.000 0.627 34 A CB -0.888 18.056 19.000 -0.094 0.000 0.815 34 A HN 0.484 nan 8.150 nan 0.000 0.443 35 A N -0.069 122.702 122.820 -0.082 0.000 1.832 35 A HA 0.033 1.910 4.320 -4.071 0.000 0.214 35 A C 2.049 179.596 177.584 -0.062 0.000 1.200 35 A CA 1.592 53.573 52.037 -0.092 0.000 0.610 35 A CB -0.934 18.010 19.000 -0.093 0.000 0.842 35 A HN 1.076 nan 8.150 nan 0.000 0.444 36 F N 0.578 120.461 119.950 -0.112 0.000 2.407 36 F HA 0.215 2.300 4.527 -4.071 0.000 0.299 36 F C 1.914 177.523 175.800 -0.318 0.000 1.097 36 F CA 0.900 58.791 58.000 -0.181 0.000 1.422 36 F CB -0.758 38.176 39.000 -0.111 0.000 1.067 36 F HN 0.123 nan 8.300 nan 0.000 0.539 37 G N 1.656 109.835 108.800 -1.036 0.000 2.432 37 G HA2 -0.160 1.357 3.960 -4.071 0.000 0.219 37 G HA3 -0.160 1.357 3.960 -4.071 0.000 0.219 37 G C 1.684 176.315 174.900 -0.447 0.000 1.135 37 G CA 1.082 45.668 45.100 -0.856 0.000 0.767 37 G HN 0.472 nan 8.290 nan 0.000 0.550 38 L N 0.568 121.599 121.223 -0.320 0.000 2.027 38 L HA -0.046 1.851 4.340 -4.071 0.000 0.206 38 L C 3.179 180.049 176.870 0.000 0.000 1.074 38 L CA 1.161 55.903 54.840 -0.164 0.000 0.745 38 L CB -0.272 41.658 42.059 -0.215 0.000 0.898 38 L HN 0.155 nan 8.230 nan 0.000 0.433 39 S N -0.752 114.893 115.700 -0.091 0.000 2.382 39 S HA -0.229 1.798 4.470 -4.071 0.000 0.228 39 S C 1.861 176.387 174.600 -0.122 0.000 1.027 39 S CA 1.209 59.389 58.200 -0.032 0.000 0.991 39 S CB -0.186 63.026 63.200 0.019 0.000 0.823 39 S HN 0.402 nan 8.310 nan 0.000 0.469 40 E N 1.076 121.017 120.200 -0.430 0.000 2.118 40 E HA -0.156 1.752 4.350 -4.071 0.000 0.195 40 E C 2.023 178.581 176.600 -0.070 0.000 0.992 40 E CA 1.028 57.201 56.400 -0.378 0.000 0.804 40 E CB -0.172 29.206 29.700 -0.536 0.000 0.741 40 E HN 0.510 nan 8.360 nan 0.000 0.458 41 A N -0.102 122.693 122.820 -0.042 0.000 1.968 41 A HA 0.117 1.995 4.320 -4.071 0.000 0.217 41 A C 1.741 179.319 177.584 -0.011 0.000 1.169 41 A CA 1.347 53.404 52.037 0.033 0.000 0.638 41 A CB -0.098 18.992 19.000 0.150 0.000 0.812 41 A HN 0.473 nan 8.150 nan 0.000 0.446 42 G N -2.568 106.231 108.800 -0.002 0.000 2.157 42 G HA2 -0.048 1.470 3.960 -4.071 0.000 0.114 42 G HA3 -0.048 1.470 3.960 -4.071 0.000 0.114 42 G C -0.268 174.520 174.900 -0.187 0.000 1.041 42 G CA -0.469 44.577 45.100 -0.089 0.000 0.714 42 G HN 0.199 nan 8.290 nan 0.000 0.492 43 F N 1.517 121.456 119.950 -0.018 0.000 2.404 43 F HA 0.387 2.472 4.527 -4.070 0.000 0.345 43 F C 1.013 176.835 175.800 0.038 0.000 1.110 43 F CA -0.805 57.193 58.000 -0.003 0.000 1.130 43 F CB 1.175 40.152 39.000 -0.038 0.000 1.129 43 F HN 0.109 nan 8.300 nan 0.000 0.500 44 N N 3.127 121.968 118.700 0.234 0.000 2.400 44 N HA -0.010 2.287 4.740 -4.071 0.000 0.278 44 N C -0.974 174.750 175.510 0.357 0.000 1.247 44 N CA 0.079 53.289 53.050 0.266 0.000 0.970 44 N CB 0.245 38.861 38.487 0.215 0.000 1.312 44 N HN 0.565 nan 8.380 nan 0.000 0.488 45 T N 1.932 116.623 114.554 0.228 0.000 2.824 45 T HA 0.548 2.455 4.350 -4.071 0.000 0.280 45 T C -0.091 174.483 174.700 -0.211 0.000 0.995 45 T CA -0.655 61.465 62.100 0.035 0.000 1.009 45 T CB 1.737 70.593 68.868 -0.021 0.000 0.955 45 T HN 0.520 nan 8.240 nan 0.000 0.452 46 A N 1.050 123.560 122.820 -0.516 0.000 2.294 46 A HA 0.717 2.595 4.320 -4.071 0.000 0.330 46 A C -0.283 177.030 177.584 -0.452 0.000 1.133 46 A CA -0.711 50.892 52.037 -0.723 0.000 0.836 46 A CB 0.932 19.222 19.000 -1.185 0.000 1.190 46 A HN 0.934 nan 8.150 nan 0.000 0.492 47 C N 2.335 121.389 119.300 -0.410 0.000 2.654 47 C HA 0.551 2.568 4.460 -4.071 0.000 0.315 47 C C -0.761 174.068 174.990 -0.268 0.000 1.054 47 C CA -0.358 58.393 59.018 -0.444 0.000 1.419 47 C CB -0.773 26.455 27.740 -0.853 0.000 1.889 47 C HN 0.658 nan 8.230 nan 0.000 0.447 48 V N 5.371 125.140 119.914 -0.241 0.000 2.432 48 V HA 0.611 2.289 4.120 -4.071 0.000 0.271 48 V C 0.585 176.609 176.094 -0.117 0.000 1.046 48 V CA 0.396 62.579 62.300 -0.194 0.000 0.945 48 V CB 1.423 33.073 31.823 -0.289 0.000 0.992 48 V HN 0.881 nan 8.190 nan 0.000 0.471 49 T N 4.012 118.552 114.554 -0.024 0.000 2.971 49 T HA 0.332 2.240 4.350 -4.071 0.000 0.304 49 T C 0.631 175.375 174.700 0.074 0.000 1.038 49 T CA -0.679 61.418 62.100 -0.005 0.000 1.007 49 T CB 1.445 70.305 68.868 -0.013 0.000 1.055 49 T HN 0.830 nan 8.240 nan 0.000 0.451 50 K N 3.990 124.412 120.400 0.036 0.000 2.432 50 K HA 0.284 2.162 4.320 -4.071 0.000 0.196 50 K C 0.278 176.952 176.600 0.123 0.000 1.038 50 K CA 0.392 56.731 56.287 0.087 0.000 0.986 50 K CB 0.029 32.581 32.500 0.087 0.000 0.782 50 K HN 0.445 nan 8.250 nan 0.000 0.485 51 L N 0.343 121.638 121.223 0.119 0.000 2.309 51 L HA 0.419 2.316 4.340 -4.071 0.000 0.261 51 L C -0.529 176.440 176.870 0.165 0.000 1.021 51 L CA -1.585 53.354 54.840 0.165 0.000 0.823 51 L CB 1.139 43.282 42.059 0.140 0.000 1.366 51 L HN -0.123 nan 8.230 nan 0.000 0.423 52 F N 2.896 122.877 119.950 0.050 0.000 2.538 52 F HA 0.170 2.255 4.527 -4.071 0.000 0.371 52 F C -1.470 174.253 175.800 -0.127 0.000 1.087 52 F CA -1.239 56.744 58.000 -0.030 0.000 1.250 52 F CB 0.779 39.751 39.000 -0.047 0.000 1.110 52 F HN 0.293 nan 8.300 nan 0.000 0.570 53 P HA -0.241 nan 4.420 nan 0.000 0.219 53 P C 1.586 178.526 177.300 -0.601 0.000 1.158 53 P CA 2.448 65.116 63.100 -0.720 0.000 0.895 53 P CB -0.045 31.010 31.700 -1.074 0.000 0.792 54 T N -1.060 113.028 114.554 -0.777 0.000 2.915 54 T HA -0.068 1.839 4.350 -4.071 0.000 0.269 54 T C 1.296 175.958 174.700 -0.063 0.000 1.071 54 T CA 0.872 62.733 62.100 -0.398 0.000 1.132 54 T CB -0.406 68.242 68.868 -0.366 0.000 0.878 54 T HN 0.188 nan 8.240 nan 0.000 0.479 55 R N 1.273 121.809 120.500 0.062 0.000 2.449 55 R HA 0.313 2.211 4.340 -4.071 0.000 0.262 55 R C 1.018 177.373 176.300 0.091 0.000 1.006 55 R CA -0.191 55.982 56.100 0.122 0.000 1.104 55 R CB 0.114 30.526 30.300 0.187 0.000 1.206 55 R HN 0.170 nan 8.270 nan 0.000 0.538 56 S N 0.327 116.051 115.700 0.040 0.000 2.423 56 S HA -0.041 1.986 4.470 -4.071 0.000 0.244 56 S C 1.067 175.740 174.600 0.120 0.000 1.267 56 S CA 0.039 58.278 58.200 0.064 0.000 0.988 56 S CB 0.178 63.391 63.200 0.023 0.000 0.978 56 S HN 0.423 nan 8.310 nan 0.000 0.506 57 H N 0.286 119.363 119.070 0.011 0.000 2.615 57 H HA 0.144 2.258 4.556 -4.070 0.000 0.275 57 H C 2.054 177.394 175.328 0.021 0.000 0.981 57 H CA 1.489 57.542 56.048 0.008 0.000 1.252 57 H CB -0.503 29.247 29.762 -0.020 0.000 1.447 57 H HN 0.603 nan 8.280 nan 0.000 0.498 58 T N -1.049 113.551 114.554 0.077 0.000 2.996 58 T HA -0.135 1.773 4.350 -4.071 0.000 0.271 58 T C 1.884 176.595 174.700 0.018 0.000 1.126 58 T CA 1.077 63.203 62.100 0.043 0.000 1.103 58 T CB -0.954 67.958 68.868 0.074 0.000 0.870 58 T HN 0.132 nan 8.240 nan 0.000 0.528 59 V N 1.706 121.630 119.914 0.016 0.000 2.392 59 V HA -0.091 1.586 4.120 -4.071 0.000 0.249 59 V C 3.096 179.207 176.094 0.029 0.000 1.059 59 V CA 1.454 63.799 62.300 0.075 0.000 1.051 59 V CB -1.514 30.376 31.823 0.112 0.000 0.658 59 V HN 0.650 nan 8.190 nan 0.000 0.455 60 A N 0.122 122.873 122.820 -0.115 0.000 2.209 60 A HA 0.426 2.303 4.320 -4.071 0.000 0.212 60 A C 1.469 178.995 177.584 -0.096 0.000 1.158 60 A CA 0.695 52.633 52.037 -0.165 0.000 0.742 60 A CB -0.568 18.202 19.000 -0.383 0.000 0.790 60 A HN 0.628 nan 8.150 nan 0.000 0.472 61 A N -0.414 122.381 122.820 -0.041 0.000 2.450 61 A HA 0.443 2.321 4.320 -4.071 0.000 0.255 61 A C 0.707 178.320 177.584 0.049 0.000 1.096 61 A CA 0.057 52.111 52.037 0.028 0.000 0.778 61 A CB 0.206 19.240 19.000 0.056 0.000 1.031 61 A HN 0.564 nan 8.150 nan 0.000 0.494 62 Q N 2.104 121.947 119.800 0.071 0.000 2.384 62 Q HA 0.097 1.995 4.340 -4.071 0.000 0.264 62 Q C 1.952 178.030 176.000 0.130 0.000 0.825 62 Q CA 0.531 56.380 55.803 0.077 0.000 0.984 62 Q CB 0.425 29.195 28.738 0.053 0.000 1.183 62 Q HN 0.883 nan 8.270 nan 0.000 0.537 63 G N 1.064 109.980 108.800 0.194 0.000 2.637 63 G HA2 0.192 1.709 3.960 -4.071 0.000 0.215 63 G HA3 0.192 1.709 3.960 -4.071 0.000 0.215 63 G C 0.602 175.531 174.900 0.049 0.000 1.289 63 G CA 1.008 46.289 45.100 0.302 0.000 0.816 63 G HN 0.473 nan 8.290 nan 0.000 0.580 64 G N -1.738 106.988 108.800 -0.124 0.000 2.336 64 G HA2 0.364 1.882 3.960 -4.071 0.000 0.286 64 G HA3 0.364 1.882 3.960 -4.071 0.000 0.286 64 G C -1.967 172.869 174.900 -0.106 0.000 1.269 64 G CA -0.226 44.816 45.100 -0.096 0.000 0.873 64 G HN 0.560 nan 8.290 nan 0.000 0.494 65 I N 1.570 122.120 120.570 -0.034 0.000 2.468 65 I HA 0.391 2.118 4.170 -4.071 0.000 0.284 65 I C -1.060 175.028 176.117 -0.050 0.000 1.038 65 I CA -0.905 60.397 61.300 0.004 0.000 1.083 65 I CB 1.231 39.305 38.000 0.123 0.000 1.223 65 I HN 0.411 nan 8.210 nan 0.000 0.443 66 N N 6.159 124.812 118.700 -0.079 0.000 2.497 66 N HA 0.574 2.872 4.740 -4.071 0.000 0.268 66 N C -0.439 174.984 175.510 -0.145 0.000 1.171 66 N CA 0.055 53.011 53.050 -0.158 0.000 0.948 66 N CB 1.293 39.677 38.487 -0.171 0.000 1.069 66 N HN 0.639 nan 8.380 nan 0.000 0.460 67 A N 0.817 123.512 122.820 -0.209 0.000 2.500 67 A HA 0.627 2.505 4.320 -4.071 0.000 0.291 67 A C -0.597 176.905 177.584 -0.136 0.000 1.048 67 A CA -0.811 51.141 52.037 -0.142 0.000 0.791 67 A CB 0.583 19.517 19.000 -0.110 0.000 1.309 67 A HN 0.582 nan 8.150 nan 0.000 0.397 68 A N 2.773 125.553 122.820 -0.067 0.000 3.026 68 A HA 0.485 2.363 4.320 -4.071 0.000 0.272 68 A C 0.752 178.325 177.584 -0.018 0.000 1.782 68 A CA -0.011 52.018 52.037 -0.013 0.000 1.451 68 A CB -0.963 18.091 19.000 0.091 0.000 1.081 68 A HN 0.894 nan 8.150 nan 0.000 0.611 69 L N 1.201 122.389 121.223 -0.058 0.000 2.249 69 L HA 0.206 2.104 4.340 -4.071 0.000 0.207 69 L C 1.557 178.396 176.870 -0.051 0.000 1.090 69 L CA 0.792 55.592 54.840 -0.067 0.000 0.802 69 L CB -0.118 41.877 42.059 -0.106 0.000 0.947 69 L HN 0.809 nan 8.230 nan 0.000 0.453 70 G N 1.159 109.935 108.800 -0.040 0.000 2.473 70 G HA2 -0.238 1.280 3.960 -4.071 0.000 0.289 70 G HA3 -0.238 1.280 3.960 -4.071 0.000 0.289 70 G C 0.101 174.980 174.900 -0.034 0.000 1.084 70 G CA 0.251 45.338 45.100 -0.021 0.000 1.215 70 G HN 0.306 nan 8.290 nan 0.000 0.527 71 N N 0.042 118.711 118.700 -0.052 0.000 2.348 71 N HA 0.143 2.441 4.740 -4.071 0.000 0.183 71 N C 2.262 177.729 175.510 -0.072 0.000 1.094 71 N CA 0.755 53.768 53.050 -0.062 0.000 0.885 71 N CB 0.026 38.466 38.487 -0.079 0.000 1.065 71 N HN 0.504 nan 8.380 nan 0.000 0.472 72 M N 0.270 119.817 119.600 -0.089 0.000 2.514 72 M HA 0.215 2.252 4.480 -4.071 0.000 0.258 72 M C 0.337 176.597 176.300 -0.066 0.000 1.159 72 M CA 0.661 55.889 55.300 -0.119 0.000 1.116 72 M CB 0.057 32.522 32.600 -0.225 0.000 1.333 72 M HN 0.113 nan 8.290 nan 0.000 0.487 73 E N 1.024 121.215 120.200 -0.016 0.000 2.456 73 E HA 0.350 2.258 4.350 -4.071 0.000 0.278 73 E C -1.361 175.270 176.600 0.051 0.000 1.034 73 E CA -0.789 55.628 56.400 0.028 0.000 0.846 73 E CB 1.195 30.936 29.700 0.070 0.000 1.460 73 E HN 0.221 nan 8.360 nan 0.000 0.463 74 E N 1.183 121.433 120.200 0.084 0.000 2.338 74 E HA 0.387 2.295 4.350 -4.071 0.000 0.272 74 E C -0.949 175.759 176.600 0.179 0.000 1.029 74 E CA -0.369 56.089 56.400 0.096 0.000 0.872 74 E CB 0.924 30.685 29.700 0.101 0.000 1.015 74 E HN 0.359 nan 8.360 nan 0.000 0.417 75 D N 1.865 122.294 120.400 0.049 0.000 2.857 75 D HA 0.266 2.463 4.640 -4.071 0.000 0.227 75 D C -1.677 174.394 176.300 -0.382 0.000 1.192 75 D CA -0.730 53.267 54.000 -0.004 0.000 0.857 75 D CB 1.753 42.589 40.800 0.061 0.000 1.645 75 D HN 0.469 nan 8.370 nan 0.000 0.482 76 N N 2.270 120.412 118.700 -0.929 0.000 2.342 76 N HA 0.187 2.485 4.740 -4.071 0.000 0.293 76 N C 1.145 176.293 175.510 -0.604 0.000 1.026 76 N CA -0.876 51.550 53.050 -1.040 0.000 0.857 76 N CB 0.910 38.243 38.487 -1.922 0.000 1.256 76 N HN 0.565 nan 8.380 nan 0.000 0.484 77 W N 3.826 124.939 121.300 -0.312 0.000 2.465 77 W HA -0.014 2.203 4.660 -4.072 0.000 0.268 77 W C 0.587 177.086 176.519 -0.035 0.000 1.242 77 W CA 0.093 57.382 57.345 -0.094 0.000 1.248 77 W CB -0.329 29.098 29.460 -0.055 0.000 1.118 77 W HN 0.481 nan 8.180 nan 0.000 0.587 78 R N -0.277 119.691 120.500 -0.886 0.000 2.148 78 R HA -0.127 1.770 4.340 -4.071 0.000 0.227 78 R C 2.055 178.259 176.300 -0.161 0.000 1.103 78 R CA 1.942 57.640 56.100 -0.670 0.000 0.983 78 R CB -0.597 29.201 30.300 -0.837 0.000 0.874 78 R HN 0.115 nan 8.270 nan 0.000 0.451 79 W N 0.012 121.058 121.300 -0.423 0.000 2.388 79 W HA -0.097 2.120 4.660 -4.072 0.000 0.294 79 W C 2.055 178.585 176.519 0.020 0.000 1.212 79 W CA 0.653 57.751 57.345 -0.413 0.000 1.271 79 W CB -1.212 28.005 29.460 -0.405 0.000 1.126 79 W HN 0.325 nan 8.180 nan 0.000 0.535 80 H N -1.088 118.115 119.070 0.222 0.000 2.423 80 H HA -0.188 1.926 4.556 -4.070 0.000 0.297 80 H C 2.181 177.649 175.328 0.233 0.000 1.075 80 H CA 1.493 57.668 56.048 0.212 0.000 1.342 80 H CB -0.397 29.485 29.762 0.199 0.000 1.395 80 H HN 0.049 nan 8.280 nan 0.000 0.530 81 F N 0.918 120.921 119.950 0.088 0.000 2.095 81 F HA -0.281 1.805 4.527 -4.069 0.000 0.298 81 F C 2.353 178.191 175.800 0.063 0.000 1.104 81 F CA 1.808 59.836 58.000 0.045 0.000 1.232 81 F CB -0.950 38.118 39.000 0.114 0.000 0.987 81 F HN 0.164 nan 8.300 nan 0.000 0.475 82 Y N 1.421 121.716 120.300 -0.008 0.000 2.181 82 Y HA -0.211 1.898 4.550 -4.068 0.000 0.288 82 Y C 2.190 178.003 175.900 -0.145 0.000 1.146 82 Y CA 2.103 60.160 58.100 -0.071 0.000 1.164 82 Y CB -0.834 37.810 38.460 0.306 0.000 0.982 82 Y HN 0.090 nan 8.280 nan 0.000 0.515 83 D N -0.620 119.786 120.400 0.011 0.000 2.158 83 D HA -0.175 2.022 4.640 -4.071 0.000 0.197 83 D C 2.096 178.294 176.300 -0.171 0.000 0.995 83 D CA 2.073 56.059 54.000 -0.024 0.000 0.846 83 D CB -0.477 40.432 40.800 0.182 0.000 0.941 83 D HN 0.419 nan 8.370 nan 0.000 0.456 84 T N 0.107 114.509 114.554 -0.253 0.000 2.732 84 T HA -0.091 1.817 4.350 -4.071 0.000 0.261 84 T C 2.116 176.576 174.700 -0.399 0.000 1.040 84 T CA 0.864 62.800 62.100 -0.273 0.000 1.145 84 T CB -0.569 68.123 68.868 -0.293 0.000 0.866 84 T HN 0.012 nan 8.240 nan 0.000 0.427 85 V N 1.635 121.185 119.914 -0.607 0.000 2.407 85 V HA -0.135 1.542 4.120 -4.071 0.000 0.248 85 V C 2.528 177.969 176.094 -1.088 0.000 1.055 85 V CA 1.738 63.574 62.300 -0.773 0.000 1.049 85 V CB -0.461 30.848 31.823 -0.856 0.000 0.662 85 V HN 0.292 nan 8.190 nan 0.000 0.455 86 K N 0.244 119.989 120.400 -1.092 0.000 2.032 86 K HA -0.130 1.747 4.320 -4.071 0.000 0.209 86 K C 2.073 178.347 176.600 -0.543 0.000 1.048 86 K CA 1.838 57.456 56.287 -1.114 0.000 0.927 86 K CB -0.971 31.004 32.500 -0.874 0.000 0.712 86 K HN 0.598 nan 8.250 nan 0.000 0.441 87 G N 0.434 109.065 108.800 -0.281 0.000 2.443 87 G HA2 -0.204 1.314 3.960 -4.071 0.000 0.219 87 G HA3 -0.204 1.314 3.960 -4.071 0.000 0.219 87 G C 1.413 176.230 174.900 -0.139 0.000 1.131 87 G CA 1.070 46.110 45.100 -0.099 0.000 0.775 87 G HN 0.489 nan 8.290 nan 0.000 0.547 88 S N -0.020 115.529 115.700 -0.251 0.000 2.603 88 S HA 0.008 2.035 4.470 -4.071 0.000 0.229 88 S C 1.077 175.596 174.600 -0.135 0.000 0.972 88 S CA 0.980 59.069 58.200 -0.184 0.000 0.935 88 S CB -0.108 62.958 63.200 -0.223 0.000 0.769 88 S HN 0.277 nan 8.310 nan 0.000 0.536 89 D N 0.428 120.752 120.400 -0.126 0.000 2.837 89 D HA -0.206 1.991 4.640 -4.071 0.000 0.230 89 D C -0.286 176.202 176.300 0.313 0.000 1.152 89 D CA 1.072 55.162 54.000 0.149 0.000 0.736 89 D CB -2.005 38.909 40.800 0.189 0.000 1.084 89 D HN 0.718 nan 8.370 nan 0.000 0.429 90 W N -2.595 118.671 121.300 -0.057 0.000 3.904 90 W HA -0.332 1.881 4.660 -4.078 0.000 0.312 90 W C 1.328 177.822 176.519 -0.042 0.000 1.159 90 W CA 0.675 57.982 57.345 -0.063 0.000 0.704 90 W CB -2.013 27.393 29.460 -0.089 0.000 2.209 90 W HN 0.310 nan 8.180 nan 0.000 1.468 91 L N 0.218 121.480 121.223 0.065 0.000 2.585 91 L HA 0.370 2.268 4.340 -4.071 0.000 0.226 91 L C 1.638 178.522 176.870 0.023 0.000 1.113 91 L CA 1.313 56.147 54.840 -0.010 0.000 0.876 91 L CB -0.101 41.895 42.059 -0.105 0.000 1.072 91 L HN -0.042 nan 8.230 nan 0.000 0.468 92 G N -0.282 108.506 108.800 -0.020 0.000 2.403 92 G HA2 0.142 1.659 3.960 -4.071 0.000 0.259 92 G HA3 0.142 1.659 3.960 -4.071 0.000 0.259 92 G C -0.840 174.092 174.900 0.053 0.000 1.244 92 G CA -0.484 44.610 45.100 -0.010 0.000 0.849 92 G HN 0.094 nan 8.290 nan 0.000 0.532 93 D N 2.036 122.504 120.400 0.114 0.000 2.352 93 D HA 0.091 2.289 4.640 -4.071 0.000 0.245 93 D C 1.356 177.744 176.300 0.146 0.000 1.224 93 D CA 0.171 54.265 54.000 0.157 0.000 0.879 93 D CB 1.686 42.594 40.800 0.179 0.000 1.057 93 D HN 0.488 nan 8.370 nan 0.000 0.491 94 Q N 1.097 121.000 119.800 0.171 0.000 2.291 94 Q HA -0.143 1.755 4.340 -4.071 0.000 0.205 94 Q C 1.407 177.621 176.000 0.357 0.000 0.970 94 Q CA 0.878 56.842 55.803 0.267 0.000 0.876 94 Q CB 0.306 29.232 28.738 0.313 0.000 0.935 94 Q HN 0.507 nan 8.270 nan 0.000 0.455 95 D N -0.174 120.361 120.400 0.226 0.000 2.183 95 D HA -0.129 2.069 4.640 -4.071 0.000 0.203 95 D C 1.556 177.932 176.300 0.127 0.000 0.969 95 D CA 1.272 55.340 54.000 0.114 0.000 0.842 95 D CB -0.137 40.654 40.800 -0.015 0.000 0.957 95 D HN 0.184 nan 8.370 nan 0.000 0.484 96 A N 0.731 123.688 122.820 0.228 0.000 1.930 96 A HA 0.100 1.978 4.320 -4.071 0.000 0.215 96 A C 2.476 180.322 177.584 0.436 0.000 1.176 96 A CA 0.594 52.848 52.037 0.361 0.000 0.632 96 A CB -0.597 18.547 19.000 0.240 0.000 0.819 96 A HN 0.237 nan 8.150 nan 0.000 0.445 97 I N -1.290 119.480 120.570 0.333 0.000 2.394 97 I HA -0.222 1.505 4.170 -4.071 0.000 0.251 97 I C 2.377 178.815 176.117 0.535 0.000 1.136 97 I CA 1.518 63.008 61.300 0.317 0.000 1.425 97 I CB -0.547 37.515 38.000 0.105 0.000 1.079 97 I HN 0.561 nan 8.210 nan 0.000 0.425 98 H N 0.287 119.643 119.070 0.475 0.000 2.253 98 H HA -0.310 1.803 4.556 -4.071 0.000 0.296 98 H C 2.404 177.817 175.328 0.141 0.000 1.074 98 H CA 2.101 58.323 56.048 0.290 0.000 1.263 98 H CB -0.189 29.630 29.762 0.094 0.000 1.363 98 H HN 0.284 nan 8.280 nan 0.000 0.489 99 Y N 0.540 120.925 120.300 0.142 0.000 2.193 99 Y HA -0.342 1.765 4.550 -4.071 0.000 0.285 99 Y C 2.782 178.616 175.900 -0.110 0.000 1.166 99 Y CA 2.052 60.124 58.100 -0.047 0.000 1.181 99 Y CB -0.212 38.257 38.460 0.015 0.000 0.976 99 Y HN 0.316 nan 8.280 nan 0.000 0.520 100 M N -0.620 119.030 119.600 0.084 0.000 2.064 100 M HA -0.186 1.851 4.480 -4.071 0.000 0.260 100 M C 2.304 178.563 176.300 -0.069 0.000 1.073 100 M CA 2.486 57.746 55.300 -0.067 0.000 1.124 100 M CB -0.419 32.258 32.600 0.128 0.000 1.326 100 M HN 0.415 nan 8.290 nan 0.000 0.410 101 T N -2.341 112.253 114.554 0.066 0.000 2.915 101 T HA -0.159 1.748 4.350 -4.071 0.000 0.269 101 T C 1.555 176.200 174.700 -0.092 0.000 1.071 101 T CA 1.575 63.771 62.100 0.161 0.000 1.132 101 T CB -0.543 68.528 68.868 0.340 0.000 0.878 101 T HN 0.581 nan 8.240 nan 0.000 0.479 102 E N 0.390 120.294 120.200 -0.494 0.000 2.152 102 E HA -0.129 1.779 4.350 -4.071 0.000 0.192 102 E C 2.194 178.314 176.600 -0.800 0.000 0.983 102 E CA 0.706 56.355 56.400 -1.253 0.000 0.818 102 E CB 0.013 29.104 29.700 -1.015 0.000 0.758 102 E HN 0.462 nan 8.360 nan 0.000 0.467 103 Q N -0.579 118.889 119.800 -0.554 0.000 2.356 103 Q HA 0.208 2.106 4.340 -4.071 0.000 0.205 103 Q C 1.416 177.247 176.000 -0.283 0.000 0.901 103 Q CA 0.721 56.251 55.803 -0.455 0.000 0.938 103 Q CB 0.249 28.644 28.738 -0.573 0.000 1.081 103 Q HN 0.289 nan 8.270 nan 0.000 0.517 104 A N 1.376 124.076 122.820 -0.201 0.000 1.892 104 A HA -0.119 1.758 4.320 -4.071 0.000 0.218 104 A C -0.542 176.982 177.584 -0.100 0.000 1.188 104 A CA 1.569 53.557 52.037 -0.082 0.000 0.631 104 A CB -1.531 17.499 19.000 0.051 0.000 0.822 104 A HN 0.389 nan 8.150 nan 0.000 0.447 105 P HA 0.030 nan 4.420 nan 0.000 0.223 105 P C 1.396 178.616 177.300 -0.132 0.000 1.151 105 P CA 1.493 64.522 63.100 -0.119 0.000 0.787 105 P CB 0.013 31.649 31.700 -0.106 0.000 0.788 106 A N -1.025 121.699 122.820 -0.159 0.000 1.975 106 A HA -0.016 1.862 4.320 -4.071 0.000 0.215 106 A C 2.266 179.779 177.584 -0.118 0.000 1.170 106 A CA 1.367 53.317 52.037 -0.146 0.000 0.656 106 A CB -1.120 17.774 19.000 -0.178 0.000 0.821 106 A HN 0.061 nan 8.150 nan 0.000 0.449 107 S N -0.454 115.181 115.700 -0.107 0.000 2.395 107 S HA -0.063 1.964 4.470 -4.071 0.000 0.225 107 S C 1.846 176.437 174.600 -0.015 0.000 1.027 107 S CA 1.281 59.450 58.200 -0.051 0.000 0.965 107 S CB -0.152 63.024 63.200 -0.040 0.000 0.812 107 S HN 0.313 nan 8.310 nan 0.000 0.482 108 V N 1.145 121.035 119.914 -0.040 0.000 2.379 108 V HA -0.067 1.611 4.120 -4.071 0.000 0.245 108 V C 2.280 178.328 176.094 -0.076 0.000 1.044 108 V CA 1.105 63.385 62.300 -0.034 0.000 1.036 108 V CB -0.583 31.166 31.823 -0.124 0.000 0.664 108 V HN 0.300 nan 8.190 nan 0.000 0.453 109 V N 0.154 119.999 119.914 -0.117 0.000 2.392 109 V HA -0.322 1.355 4.120 -4.071 0.000 0.249 109 V C 2.512 178.532 176.094 -0.124 0.000 1.059 109 V CA 2.435 64.665 62.300 -0.117 0.000 1.051 109 V CB -0.512 31.244 31.823 -0.111 0.000 0.658 109 V HN 0.680 nan 8.190 nan 0.000 0.455 110 E N -0.236 119.872 120.200 -0.154 0.000 2.085 110 E HA -0.230 1.678 4.350 -4.071 0.000 0.194 110 E C 2.217 178.500 176.600 -0.528 0.000 0.994 110 E CA 1.422 57.636 56.400 -0.309 0.000 0.801 110 E CB -0.096 29.482 29.700 -0.205 0.000 0.743 110 E HN 0.585 nan 8.360 nan 0.000 0.453 111 L N 0.842 121.983 121.223 -0.136 0.000 2.056 111 L HA -0.134 1.764 4.340 -4.071 0.000 0.207 111 L C 2.797 179.786 176.870 0.199 0.000 1.078 111 L CA 0.949 55.867 54.840 0.129 0.000 0.749 111 L CB -0.379 41.881 42.059 0.335 0.000 0.901 111 L HN 0.170 nan 8.230 nan 0.000 0.433 112 E N 0.722 121.071 120.200 0.247 0.000 2.153 112 E HA -0.212 1.696 4.350 -4.071 0.000 0.194 112 E C 1.557 178.217 176.600 0.099 0.000 0.988 112 E CA 1.163 57.731 56.400 0.281 0.000 0.811 112 E CB -0.015 29.794 29.700 0.180 0.000 0.746 112 E HN 0.449 nan 8.360 nan 0.000 0.466 113 N N -0.469 118.204 118.700 -0.044 0.000 2.512 113 N HA -0.078 2.219 4.740 -4.071 0.000 0.183 113 N C 1.117 176.616 175.510 -0.019 0.000 1.073 113 N CA 0.528 53.533 53.050 -0.075 0.000 0.911 113 N CB -0.285 38.113 38.487 -0.149 0.000 0.964 113 N HN 0.373 nan 8.380 nan 0.000 0.447 114 Y N -1.138 119.211 120.300 0.080 0.000 2.519 114 Y HA 0.156 2.263 4.550 -4.071 0.000 0.287 114 Y C 1.743 177.658 175.900 0.025 0.000 1.128 114 Y CA 0.141 58.269 58.100 0.046 0.000 1.282 114 Y CB 0.472 38.953 38.460 0.036 0.000 1.027 114 Y HN 0.143 nan 8.280 nan 0.000 0.551 115 G N 0.247 109.150 108.800 0.172 0.000 2.205 115 G HA2 -0.261 1.256 3.960 -4.071 0.000 0.180 115 G HA3 -0.261 1.256 3.960 -4.071 0.000 0.180 115 G C 0.200 175.142 174.900 0.069 0.000 1.004 115 G CA -0.305 44.856 45.100 0.103 0.000 0.670 115 G HN 0.188 nan 8.290 nan 0.000 0.496 116 M N 2.885 122.526 119.600 0.067 0.000 2.408 116 M HA 0.277 2.315 4.480 -4.071 0.000 0.363 116 M C -1.689 174.524 176.300 -0.144 0.000 1.636 116 M CA -0.611 54.627 55.300 -0.103 0.000 1.029 116 M CB 0.480 32.941 32.600 -0.232 0.000 2.068 116 M HN 0.007 nan 8.290 nan 0.000 0.466 117 P HA 0.132 nan 4.420 nan 0.000 0.231 117 P C -1.095 176.163 177.300 -0.069 0.000 1.811 117 P CA -0.020 63.050 63.100 -0.051 0.000 1.051 117 P CB -0.746 30.934 31.700 -0.033 0.000 1.951 118 F N 0.407 120.384 119.950 0.045 0.000 2.553 118 F HA 0.016 2.100 4.527 -4.071 0.000 0.356 118 F C 1.595 177.424 175.800 0.047 0.000 1.142 118 F CA 0.601 58.633 58.000 0.053 0.000 1.322 118 F CB 0.051 39.086 39.000 0.059 0.000 1.126 118 F HN 0.089 nan 8.300 nan 0.000 0.599 119 S N 3.576 119.421 115.700 0.241 0.000 2.568 119 S HA 0.257 2.285 4.470 -4.071 0.000 0.282 119 S C 0.298 175.012 174.600 0.190 0.000 1.338 119 S CA -0.701 57.574 58.200 0.125 0.000 1.045 119 S CB 0.438 63.636 63.200 -0.004 0.000 0.873 119 S HN 0.361 nan 8.310 nan 0.000 0.516 120 R N 0.791 121.363 120.500 0.120 0.000 2.923 120 R HA 0.682 2.580 4.340 -4.071 0.000 0.252 120 R C 0.121 176.520 176.300 0.165 0.000 1.130 120 R CA -0.661 55.523 56.100 0.141 0.000 1.043 120 R CB 0.954 31.309 30.300 0.091 0.000 1.205 120 R HN 0.782 nan 8.270 nan 0.000 0.495 121 T N -2.544 112.096 114.554 0.143 0.000 2.807 121 T HA 0.230 2.138 4.350 -4.071 0.000 0.277 121 T C 1.020 175.763 174.700 0.070 0.000 1.006 121 T CA -0.780 61.399 62.100 0.132 0.000 1.006 121 T CB 1.209 70.150 68.868 0.122 0.000 1.274 121 T HN 0.436 nan 8.240 nan 0.000 0.569 122 E N 0.499 120.732 120.200 0.055 0.000 2.130 122 E HA -0.167 1.741 4.350 -4.071 0.000 0.196 122 E C 1.203 177.818 176.600 0.025 0.000 0.998 122 E CA 1.799 58.219 56.400 0.034 0.000 0.806 122 E CB -0.483 29.232 29.700 0.026 0.000 0.738 122 E HN 0.659 nan 8.360 nan 0.000 0.459 123 D N -1.832 118.581 120.400 0.023 0.000 2.224 123 D HA 0.091 2.289 4.640 -4.071 0.000 0.205 123 D C 1.245 177.555 176.300 0.018 0.000 0.965 123 D CA 1.316 55.325 54.000 0.015 0.000 0.852 123 D CB 0.200 41.004 40.800 0.006 0.000 0.947 123 D HN 0.347 nan 8.370 nan 0.000 0.494 124 G N -0.283 108.534 108.800 0.028 0.000 2.184 124 G HA2 -0.240 1.277 3.960 -4.071 0.000 0.206 124 G HA3 -0.240 1.277 3.960 -4.071 0.000 0.206 124 G C 0.281 175.201 174.900 0.033 0.000 0.995 124 G CA -0.220 44.899 45.100 0.032 0.000 0.651 124 G HN 0.292 nan 8.290 nan 0.000 0.511 125 K N -0.058 120.356 120.400 0.024 0.000 2.102 125 K HA 0.633 2.510 4.320 -4.071 0.000 0.244 125 K C 0.755 177.368 176.600 0.020 0.000 1.021 125 K CA -0.779 55.510 56.287 0.004 0.000 0.913 125 K CB 1.125 33.613 32.500 -0.021 0.000 1.062 125 K HN 0.190 nan 8.250 nan 0.000 0.485 126 I N 1.963 122.513 120.570 -0.034 0.000 2.683 126 I HA -0.113 1.615 4.170 -4.071 0.000 0.286 126 I C 0.170 176.301 176.117 0.024 0.000 1.175 126 I CA 0.053 61.327 61.300 -0.044 0.000 1.429 126 I CB -0.082 37.725 38.000 -0.322 0.000 1.371 126 I HN 0.416 nan 8.210 nan 0.000 0.569 127 Y N 7.157 127.462 120.300 0.008 0.000 2.526 127 Y HA 0.102 2.210 4.550 -4.071 0.000 0.330 127 Y C 0.034 175.948 175.900 0.023 0.000 1.156 127 Y CA 0.202 58.317 58.100 0.026 0.000 1.419 127 Y CB 0.373 38.870 38.460 0.060 0.000 1.250 127 Y HN 0.504 nan 8.280 nan 0.000 0.540 128 Q N 5.067 124.589 119.800 -0.463 0.000 2.375 128 Q HA 0.583 2.481 4.340 -4.071 0.000 0.271 128 Q C -1.151 174.627 176.000 -0.369 0.000 1.074 128 Q CA -1.288 54.356 55.803 -0.265 0.000 0.808 128 Q CB 2.590 31.240 28.738 -0.148 0.000 1.327 128 Q HN 0.558 nan 8.270 nan 0.000 0.441 129 R N 0.142 120.637 120.500 -0.009 0.000 2.817 129 R HA 0.691 2.589 4.340 -4.071 0.000 0.268 129 R C -1.596 174.859 176.300 0.259 0.000 1.027 129 R CA -0.517 55.699 56.100 0.192 0.000 0.928 129 R CB 1.534 32.019 30.300 0.309 0.000 1.228 129 R HN 0.762 nan 8.270 nan 0.000 0.469 130 A N 1.447 124.425 122.820 0.263 0.000 2.483 130 A HA 0.474 2.352 4.320 -4.071 0.000 0.238 130 A C -0.920 176.796 177.584 0.220 0.000 1.070 130 A CA 0.619 52.677 52.037 0.036 0.000 0.770 130 A CB -0.134 18.826 19.000 -0.067 0.000 1.008 130 A HN 0.473 nan 8.150 nan 0.000 0.497 131 F N -0.646 119.273 119.950 -0.052 0.000 2.654 131 F HA 0.514 2.598 4.527 -4.072 0.000 0.308 131 F C 0.783 176.553 175.800 -0.049 0.000 1.108 131 F CA -0.114 57.869 58.000 -0.028 0.000 0.957 131 F CB 1.774 40.768 39.000 -0.009 0.000 1.309 131 F HN 0.788 nan 8.300 nan 0.000 0.446 132 G N 1.299 110.022 108.800 -0.130 0.000 2.307 132 G HA2 0.408 1.925 3.960 -4.071 0.000 0.271 132 G HA3 0.408 1.925 3.960 -4.071 0.000 0.271 132 G C 0.742 175.600 174.900 -0.070 0.000 1.191 132 G CA 0.675 45.694 45.100 -0.136 0.000 1.024 132 G HN 1.558 nan 8.290 nan 0.000 0.441 133 G N 1.696 110.457 108.800 -0.065 0.000 2.205 133 G HA2 -0.186 1.332 3.960 -4.071 0.000 0.180 133 G HA3 -0.186 1.332 3.960 -4.071 0.000 0.180 133 G C 0.240 175.253 174.900 0.189 0.000 1.004 133 G CA -0.119 44.943 45.100 -0.064 0.000 0.670 133 G HN 0.769 nan 8.290 nan 0.000 0.496 134 Q N 0.443 120.336 119.800 0.154 0.000 2.226 134 Q HA 0.686 2.583 4.340 -4.071 0.000 0.256 134 Q C -0.237 175.829 176.000 0.110 0.000 0.962 134 Q CA 0.061 55.954 55.803 0.151 0.000 0.887 134 Q CB 1.977 30.784 28.738 0.116 0.000 1.282 134 Q HN 0.714 nan 8.270 nan 0.000 0.449 135 S N 0.770 116.530 115.700 0.099 0.000 2.535 135 S HA 0.518 2.545 4.470 -4.071 0.000 0.272 135 S C -0.851 173.725 174.600 -0.040 0.000 1.149 135 S CA -0.882 57.334 58.200 0.026 0.000 0.888 135 S CB 0.728 63.955 63.200 0.044 0.000 1.110 135 S HN 0.477 nan 8.310 nan 0.000 0.463 136 L N 2.249 123.377 121.223 -0.159 0.000 2.456 136 L HA 0.499 2.397 4.340 -4.071 0.000 0.257 136 L C 0.639 177.051 176.870 -0.764 0.000 1.162 136 L CA -0.755 53.840 54.840 -0.409 0.000 0.808 136 L CB 0.197 42.044 42.059 -0.353 0.000 1.136 136 L HN 0.941 nan 8.230 nan 0.000 0.466 137 K N 2.342 121.695 120.400 -1.745 0.000 3.278 137 K HA -0.251 1.627 4.320 -4.071 0.000 0.270 137 K C -0.483 175.695 176.600 -0.702 0.000 0.955 137 K CA 0.424 55.802 56.287 -1.515 0.000 0.723 137 K CB -1.395 30.644 32.500 -0.770 0.000 1.382 137 K HN 0.509 nan 8.250 nan 0.000 0.461 138 F N -1.197 118.347 119.950 -0.676 0.000 3.091 138 F HA -0.293 1.791 4.527 -4.072 0.000 0.288 138 F C 1.247 176.733 175.800 -0.524 0.000 0.907 138 F CA 1.334 59.018 58.000 -0.527 0.000 1.028 138 F CB -1.854 36.829 39.000 -0.528 0.000 1.022 138 F HN 0.612 nan 8.300 nan 0.000 0.665 139 G N -1.000 107.733 108.800 -0.111 0.000 2.132 139 G HA2 -0.313 1.205 3.960 -4.071 0.000 0.234 139 G HA3 -0.313 1.205 3.960 -4.071 0.000 0.234 139 G C 1.051 175.911 174.900 -0.066 0.000 0.989 139 G CA 0.439 45.550 45.100 0.019 0.000 0.676 139 G HN 0.400 nan 8.290 nan 0.000 0.522 140 K N -0.319 119.997 120.400 -0.140 0.000 2.344 140 K HA 0.187 2.065 4.320 -4.071 0.000 0.200 140 K C 1.995 178.512 176.600 -0.138 0.000 1.132 140 K CA 0.774 56.988 56.287 -0.122 0.000 0.935 140 K CB -0.232 32.196 32.500 -0.120 0.000 1.089 140 K HN 0.477 nan 8.250 nan 0.000 0.496 141 G N 1.718 110.388 108.800 -0.216 0.000 3.452 141 G HA2 0.365 1.883 3.960 -4.071 0.000 0.258 141 G HA3 0.365 1.883 3.960 -4.071 0.000 0.258 141 G C 0.638 175.451 174.900 -0.145 0.000 1.305 141 G CA 0.447 45.425 45.100 -0.203 0.000 1.514 141 G HN 0.423 nan 8.290 nan 0.000 0.593 142 G N -0.106 108.635 108.800 -0.099 0.000 2.598 142 G HA2 -0.189 1.329 3.960 -4.071 0.000 0.244 142 G HA3 -0.189 1.329 3.960 -4.071 0.000 0.244 142 G C 0.006 174.870 174.900 -0.061 0.000 1.302 142 G CA 0.046 45.111 45.100 -0.059 0.000 0.903 142 G HN 0.838 nan 8.290 nan 0.000 0.575 143 Q N 0.461 120.230 119.800 -0.051 0.000 2.327 143 Q HA 0.650 2.547 4.340 -4.071 0.000 0.254 143 Q C 0.340 176.236 176.000 -0.173 0.000 0.952 143 Q CA 0.831 56.572 55.803 -0.103 0.000 0.884 143 Q CB 0.965 29.632 28.738 -0.118 0.000 1.224 143 Q HN 1.715 nan 8.270 nan 0.000 0.422 144 A N 3.880 126.576 122.820 -0.206 0.000 2.324 144 A HA 0.591 2.469 4.320 -4.071 0.000 0.330 144 A C -1.442 175.942 177.584 -0.334 0.000 1.165 144 A CA -0.640 51.301 52.037 -0.161 0.000 0.813 144 A CB 0.578 19.569 19.000 -0.015 0.000 1.197 144 A HN 0.926 nan 8.150 nan 0.000 0.484 145 H N 1.102 120.178 119.070 0.009 0.000 2.697 145 H HA 0.473 2.587 4.556 -4.070 0.000 0.270 145 H C 0.618 175.915 175.328 -0.053 0.000 1.188 145 H CA -0.355 55.678 56.048 -0.024 0.000 1.322 145 H CB 0.686 30.406 29.762 -0.069 0.000 1.405 145 H HN 0.703 nan 8.280 nan 0.000 0.502 146 R N 0.543 121.048 120.500 0.009 0.000 2.538 146 R HA 0.217 2.114 4.340 -4.071 0.000 0.372 146 R C -0.402 175.833 176.300 -0.108 0.000 0.950 146 R CA -0.277 55.785 56.100 -0.062 0.000 1.168 146 R CB -0.320 29.921 30.300 -0.099 0.000 1.542 146 R HN 0.391 nan 8.270 nan 0.000 0.536 147 C N 3.119 122.376 119.300 -0.072 0.000 2.492 147 C HA 0.439 2.457 4.460 -4.071 0.000 0.362 147 C C 0.720 175.687 174.990 -0.037 0.000 1.207 147 C CA -0.652 58.301 59.018 -0.108 0.000 1.626 147 C CB -1.419 26.229 27.740 -0.152 0.000 2.239 147 C HN 0.642 nan 8.230 nan 0.000 0.547 148 C N 6.007 125.280 119.300 -0.044 0.000 2.593 148 C HA 0.584 2.602 4.460 -4.071 0.000 0.409 148 C C 0.773 175.889 174.990 0.210 0.000 1.304 148 C CA -0.562 58.468 59.018 0.019 0.000 2.007 148 C CB -1.822 25.817 27.740 -0.169 0.000 2.614 148 C HN 1.022 nan 8.230 nan 0.000 0.585 149 C N 1.323 120.838 119.300 0.359 0.000 2.880 149 C HA 0.696 2.713 4.460 -4.071 0.000 0.320 149 C C -0.540 174.645 174.990 0.325 0.000 1.176 149 C CA -0.664 58.548 59.018 0.324 0.000 1.390 149 C CB 0.174 28.060 27.740 0.243 0.000 1.846 149 C HN 0.624 nan 8.230 nan 0.000 0.478 150 V N 3.360 123.358 119.914 0.139 0.000 2.112 150 V HA 0.517 2.194 4.120 -4.071 0.000 0.271 150 V C 1.300 177.409 176.094 0.024 0.000 1.465 150 V CA 0.899 63.212 62.300 0.021 0.000 1.419 150 V CB -0.355 31.390 31.823 -0.130 0.000 1.409 150 V HN 2.006 nan 8.190 nan 0.000 0.495 151 A N 3.259 126.102 122.820 0.038 0.000 2.154 151 A HA -0.234 1.644 4.320 -4.071 0.000 0.274 151 A C 1.240 178.830 177.584 0.009 0.000 1.373 151 A CA 1.123 53.160 52.037 0.000 0.000 0.751 151 A CB -1.563 17.412 19.000 -0.041 0.000 1.149 151 A HN 1.269 nan 8.150 nan 0.000 0.337 152 D N -1.827 118.601 120.400 0.046 0.000 3.046 152 D HA -0.218 1.980 4.640 -4.071 0.000 0.210 152 D C 0.508 176.820 176.300 0.020 0.000 1.124 152 D CA 2.266 56.294 54.000 0.047 0.000 0.986 152 D CB -0.710 40.107 40.800 0.029 0.000 1.118 152 D HN 0.909 nan 8.370 nan 0.000 0.416 153 R N -1.018 119.487 120.500 0.009 0.000 2.688 153 R HA 0.188 2.085 4.340 -4.071 0.000 0.396 153 R C 1.614 177.935 176.300 0.035 0.000 1.081 153 R CA 0.637 56.734 56.100 -0.005 0.000 1.093 153 R CB 0.341 30.589 30.300 -0.086 0.000 1.338 153 R HN 0.301 nan 8.270 nan 0.000 0.613 154 T N -3.236 111.343 114.554 0.043 0.000 2.737 154 T HA -0.077 1.831 4.350 -4.071 0.000 0.265 154 T C 1.939 176.661 174.700 0.037 0.000 1.038 154 T CA 1.631 63.748 62.100 0.029 0.000 1.144 154 T CB -0.029 68.878 68.868 0.065 0.000 0.866 154 T HN 0.329 nan 8.240 nan 0.000 0.434 155 G N 0.796 109.636 108.800 0.067 0.000 2.402 155 G HA2 -0.236 1.282 3.960 -4.071 0.000 0.216 155 G HA3 -0.236 1.282 3.960 -4.071 0.000 0.216 155 G C 1.599 176.555 174.900 0.092 0.000 1.162 155 G CA 0.903 46.047 45.100 0.073 0.000 0.777 155 G HN 0.727 nan 8.290 nan 0.000 0.539 156 H N 0.883 119.962 119.070 0.015 0.000 2.289 156 H HA -0.096 2.017 4.556 -4.071 0.000 0.296 156 H C 2.528 177.886 175.328 0.051 0.000 1.091 156 H CA 1.903 57.974 56.048 0.039 0.000 1.274 156 H CB -0.458 29.283 29.762 -0.034 0.000 1.364 156 H HN 0.313 nan 8.280 nan 0.000 0.490 157 S N 0.038 115.790 115.700 0.088 0.000 2.423 157 S HA -0.076 1.952 4.470 -4.071 0.000 0.231 157 S C 2.161 176.736 174.600 -0.042 0.000 1.014 157 S CA 0.738 58.931 58.200 -0.011 0.000 0.965 157 S CB -0.312 62.865 63.200 -0.037 0.000 0.785 157 S HN 0.383 nan 8.310 nan 0.000 0.495 158 L N 0.988 122.199 121.223 -0.019 0.000 2.093 158 L HA 0.143 2.040 4.340 -4.071 0.000 0.208 158 L C 1.880 178.768 176.870 0.030 0.000 1.085 158 L CA 1.533 56.380 54.840 0.013 0.000 0.755 158 L CB -0.625 41.464 42.059 0.051 0.000 0.904 158 L HN 0.336 nan 8.230 nan 0.000 0.435 159 L N -1.335 119.903 121.223 0.024 0.000 2.131 159 L HA -0.096 1.801 4.340 -4.071 0.000 0.206 159 L C 2.518 179.370 176.870 -0.029 0.000 1.087 159 L CA 1.544 56.383 54.840 -0.002 0.000 0.767 159 L CB -0.740 41.310 42.059 -0.016 0.000 0.917 159 L HN 0.382 nan 8.230 nan 0.000 0.441 160 H N -1.358 117.624 119.070 -0.147 0.000 2.395 160 H HA -0.069 2.045 4.556 -4.071 0.000 0.299 160 H C 1.917 177.214 175.328 -0.052 0.000 1.070 160 H CA 1.842 57.829 56.048 -0.102 0.000 1.356 160 H CB 0.080 29.716 29.762 -0.210 0.000 1.401 160 H HN 0.485 nan 8.280 nan 0.000 0.524 161 T N -0.936 113.643 114.554 0.042 0.000 2.942 161 T HA -0.009 1.899 4.350 -4.071 0.000 0.265 161 T C 2.215 176.841 174.700 -0.123 0.000 1.062 161 T CA 0.304 62.395 62.100 -0.014 0.000 1.139 161 T CB -0.412 68.468 68.868 0.020 0.000 0.883 161 T HN 0.147 nan 8.240 nan 0.000 0.468 162 L N -0.850 120.300 121.223 -0.123 0.000 2.109 162 L HA 0.087 1.985 4.340 -4.071 0.000 0.207 162 L C 2.593 179.281 176.870 -0.303 0.000 1.086 162 L CA 1.203 55.875 54.840 -0.280 0.000 0.760 162 L CB -0.511 41.483 42.059 -0.108 0.000 0.910 162 L HN 0.216 nan 8.230 nan 0.000 0.437 163 Y N 0.909 121.042 120.300 -0.278 0.000 2.163 163 Y HA -0.152 1.955 4.550 -4.071 0.000 0.288 163 Y C 2.310 178.036 175.900 -0.289 0.000 1.136 163 Y CA 1.437 59.362 58.100 -0.291 0.000 1.147 163 Y CB -0.817 37.448 38.460 -0.326 0.000 0.987 163 Y HN 0.064 nan 8.280 nan 0.000 0.509 164 G N 0.492 109.083 108.800 -0.348 0.000 2.469 164 G HA2 -0.287 1.230 3.960 -4.071 0.000 0.220 164 G HA3 -0.287 1.230 3.960 -4.071 0.000 0.220 164 G C 1.899 176.566 174.900 -0.388 0.000 1.136 164 G CA 0.824 45.702 45.100 -0.369 0.000 0.759 164 G HN 0.247 nan 8.290 nan 0.000 0.562 165 R N 0.877 121.116 120.500 -0.435 0.000 2.148 165 R HA -0.036 1.861 4.340 -4.071 0.000 0.223 165 R C 2.956 178.975 176.300 -0.467 0.000 1.088 165 R CA 1.453 57.245 56.100 -0.513 0.000 0.985 165 R CB -0.519 29.256 30.300 -0.875 0.000 0.880 165 R HN 0.517 nan 8.270 nan 0.000 0.451 166 S N 0.030 115.429 115.700 -0.501 0.000 2.453 166 S HA -0.048 1.979 4.470 -4.071 0.000 0.231 166 S C 1.816 176.344 174.600 -0.119 0.000 1.005 166 S CA 0.466 58.543 58.200 -0.204 0.000 0.949 166 S CB -0.095 63.056 63.200 -0.082 0.000 0.774 166 S HN 0.117 nan 8.310 nan 0.000 0.510 167 L N 1.469 122.485 121.223 -0.345 0.000 2.376 167 L HA 0.255 2.152 4.340 -4.071 0.000 0.219 167 L C 2.486 179.233 176.870 -0.206 0.000 1.133 167 L CA 1.096 55.754 54.840 -0.304 0.000 0.816 167 L CB -1.451 40.365 42.059 -0.405 0.000 0.933 167 L HN 0.423 nan 8.230 nan 0.000 0.449 168 R N -1.376 118.979 120.500 -0.242 0.000 2.323 168 R HA -0.032 1.865 4.340 -4.071 0.000 0.198 168 R C -0.430 175.514 176.300 -0.593 0.000 0.988 168 R CA 0.259 56.122 56.100 -0.396 0.000 1.041 168 R CB 0.196 30.208 30.300 -0.480 0.000 0.926 168 R HN 0.162 nan 8.270 nan 0.000 0.476 169 Y N -1.614 118.681 120.300 -0.008 0.000 2.665 169 Y HA 0.136 2.244 4.550 -4.070 0.000 0.336 169 Y C 0.110 176.041 175.900 0.051 0.000 1.085 169 Y CA -1.467 56.664 58.100 0.051 0.000 1.096 169 Y CB 1.143 39.678 38.460 0.125 0.000 1.301 169 Y HN 0.044 nan 8.280 nan 0.000 0.493 170 D N -1.244 119.309 120.400 0.255 0.000 2.690 170 D HA 0.109 2.307 4.640 -4.071 0.000 0.236 170 D C -0.518 175.889 176.300 0.177 0.000 1.218 170 D CA -0.214 53.885 54.000 0.165 0.000 0.829 170 D CB -0.722 40.158 40.800 0.132 0.000 1.009 170 D HN 0.278 nan 8.370 nan 0.000 0.482 171 T N -0.113 114.569 114.554 0.215 0.000 2.907 171 T HA 0.294 2.201 4.350 -4.071 0.000 0.298 171 T C 0.388 175.194 174.700 0.177 0.000 1.017 171 T CA -0.538 61.671 62.100 0.182 0.000 1.118 171 T CB 1.180 70.188 68.868 0.234 0.000 0.948 171 T HN 0.029 nan 8.240 nan 0.000 0.531 172 S N 1.931 117.639 115.700 0.013 0.000 2.489 172 S HA 0.345 2.373 4.470 -4.071 0.000 0.277 172 S C -0.913 173.522 174.600 -0.274 0.000 1.230 172 S CA -0.548 57.588 58.200 -0.106 0.000 1.053 172 S CB 0.008 63.117 63.200 -0.151 0.000 0.955 172 S HN 0.544 nan 8.310 nan 0.000 0.488 173 Y N 2.001 122.089 120.300 -0.354 0.000 2.345 173 Y HA 0.381 2.489 4.550 -4.071 0.000 0.331 173 Y C -0.536 175.091 175.900 -0.455 0.000 0.959 173 Y CA -1.019 56.914 58.100 -0.277 0.000 1.204 173 Y CB 0.569 38.958 38.460 -0.118 0.000 1.135 173 Y HN 0.594 nan 8.280 nan 0.000 0.477 174 F N 3.571 123.333 119.950 -0.313 0.000 2.499 174 F HA 0.288 2.373 4.527 -4.070 0.000 0.353 174 F C 0.036 175.742 175.800 -0.156 0.000 1.196 174 F CA -0.800 56.849 58.000 -0.585 0.000 1.244 174 F CB -0.091 38.239 39.000 -1.116 0.000 1.577 174 F HN 0.088 nan 8.300 nan 0.000 0.614 175 V N 2.011 122.045 119.914 0.199 0.000 2.572 175 V HA 0.031 1.709 4.120 -4.071 0.000 0.291 175 V C 0.461 176.806 176.094 0.419 0.000 1.039 175 V CA -0.773 61.711 62.300 0.306 0.000 1.055 175 V CB 0.373 32.387 31.823 0.319 0.000 0.969 175 V HN 0.727 nan 8.190 nan 0.000 0.482 176 E N 2.775 123.161 120.200 0.310 0.000 2.252 176 E HA -0.221 1.687 4.350 -4.071 0.000 0.199 176 E C -1.353 175.327 176.600 0.133 0.000 1.352 176 E CA 0.423 56.928 56.400 0.175 0.000 0.682 176 E CB -1.016 28.744 29.700 0.099 0.000 1.142 176 E HN 0.661 nan 8.360 nan 0.000 0.367 177 Y N 0.354 120.665 120.300 0.019 0.000 2.426 177 Y HA 0.322 2.429 4.550 -4.071 0.000 0.325 177 Y C -0.241 175.665 175.900 0.010 0.000 0.989 177 Y CA -1.078 57.031 58.100 0.015 0.000 1.284 177 Y CB 0.839 39.304 38.460 0.008 0.000 1.104 177 Y HN 0.265 nan 8.280 nan 0.000 0.481 178 F N 3.834 123.765 119.950 -0.032 0.000 2.462 178 F HA 0.570 2.654 4.527 -4.071 0.000 0.360 178 F C 0.602 176.386 175.800 -0.027 0.000 1.134 178 F CA -0.637 57.337 58.000 -0.043 0.000 1.148 178 F CB 0.109 39.054 39.000 -0.092 0.000 1.147 178 F HN 0.571 nan 8.300 nan 0.000 0.550 179 A N 6.936 129.614 122.820 -0.237 0.000 2.401 179 A HA 0.408 2.286 4.320 -4.071 0.000 0.259 179 A C 0.285 177.798 177.584 -0.117 0.000 1.103 179 A CA -0.378 51.571 52.037 -0.146 0.000 0.789 179 A CB 0.469 19.354 19.000 -0.192 0.000 1.035 179 A HN 1.011 nan 8.150 nan 0.000 0.491 180 L N 1.131 122.363 121.223 0.015 0.000 2.296 180 L HA 0.291 2.189 4.340 -4.071 0.000 0.193 180 L C 0.314 177.189 176.870 0.007 0.000 1.123 180 L CA 0.420 55.302 54.840 0.071 0.000 0.805 180 L CB -0.077 42.021 42.059 0.064 0.000 1.004 180 L HN 0.573 nan 8.230 nan 0.000 0.478 181 D N -0.617 119.775 120.400 -0.013 0.000 2.581 181 D HA 0.405 2.602 4.640 -4.071 0.000 0.232 181 D C -1.256 175.024 176.300 -0.033 0.000 1.143 181 D CA -0.515 53.472 54.000 -0.023 0.000 0.881 181 D CB 3.129 43.921 40.800 -0.014 0.000 1.500 181 D HN -0.240 nan 8.370 nan 0.000 0.458 182 L N 0.834 122.036 121.223 -0.035 0.000 2.397 182 L HA 0.211 2.109 4.340 -4.071 0.000 0.271 182 L C 0.217 177.072 176.870 -0.024 0.000 1.148 182 L CA 0.036 54.854 54.840 -0.036 0.000 0.825 182 L CB 0.346 42.382 42.059 -0.038 0.000 1.117 182 L HN 0.247 nan 8.230 nan 0.000 0.456 183 L N 4.694 125.905 121.223 -0.021 0.000 2.401 183 L HA 0.205 2.103 4.340 -4.071 0.000 0.283 183 L C -0.049 176.815 176.870 -0.010 0.000 1.151 183 L CA 0.057 54.890 54.840 -0.011 0.000 0.942 183 L CB -0.007 42.050 42.059 -0.004 0.000 1.283 183 L HN 0.569 nan 8.230 nan 0.000 0.442 184 M N 3.300 122.894 119.600 -0.011 0.000 2.300 184 M HA 0.349 2.386 4.480 -4.071 0.000 0.348 184 M C -0.551 175.745 176.300 -0.007 0.000 1.151 184 M CA 0.028 55.322 55.300 -0.011 0.000 1.046 184 M CB 1.447 34.040 32.600 -0.012 0.000 1.647 184 M HN 0.324 nan 8.290 nan 0.000 0.451 185 E N 3.381 123.577 120.200 -0.007 0.000 2.317 185 E HA 0.254 2.161 4.350 -4.071 0.000 0.270 185 E C -1.018 175.578 176.600 -0.006 0.000 0.899 185 E CA -0.272 56.125 56.400 -0.005 0.000 0.814 185 E CB 0.547 30.246 29.700 -0.002 0.000 1.296 185 E HN 0.810 nan 8.360 nan 0.000 0.404 186 N N 3.140 121.836 118.700 -0.007 0.000 2.714 186 N HA -0.219 2.079 4.740 -4.071 0.000 0.253 186 N C 0.530 176.034 175.510 -0.011 0.000 1.024 186 N CA 1.465 54.510 53.050 -0.008 0.000 0.726 186 N CB -1.232 37.251 38.487 -0.007 0.000 0.908 186 N HN 1.008 nan 8.380 nan 0.000 0.542 187 G N -0.681 108.113 108.800 -0.011 0.000 2.155 187 G HA2 -0.318 1.199 3.960 -4.071 0.000 0.257 187 G HA3 -0.318 1.199 3.960 -4.071 0.000 0.257 187 G C -0.248 174.639 174.900 -0.021 0.000 0.983 187 G CA 0.794 45.886 45.100 -0.015 0.000 0.676 187 G HN 0.614 nan 8.290 nan 0.000 0.528 188 E N -0.660 119.529 120.200 -0.018 0.000 2.210 188 E HA 0.442 2.350 4.350 -4.071 0.000 0.266 188 E C -0.242 176.347 176.600 -0.017 0.000 0.883 188 E CA -0.761 55.627 56.400 -0.020 0.000 0.761 188 E CB 2.094 31.787 29.700 -0.013 0.000 1.156 188 E HN 0.227 nan 8.360 nan 0.000 0.412 189 C N 3.439 122.726 119.300 -0.022 0.000 2.514 189 C HA 0.285 2.303 4.460 -4.071 0.000 0.392 189 C C 1.194 176.182 174.990 -0.004 0.000 1.294 189 C CA -0.277 58.730 59.018 -0.017 0.000 1.957 189 C CB -0.485 27.239 27.740 -0.026 0.000 2.541 189 C HN 0.748 nan 8.230 nan 0.000 0.569 190 R N 3.372 123.871 120.500 -0.001 0.000 2.373 190 R HA 0.359 2.256 4.340 -4.071 0.000 0.221 190 R C 0.939 177.246 176.300 0.011 0.000 0.893 190 R CA 0.810 56.916 56.100 0.010 0.000 1.049 190 R CB 0.182 30.489 30.300 0.012 0.000 1.119 190 R HN 1.069 nan 8.270 nan 0.000 0.535 191 G N 0.213 109.009 108.800 -0.006 0.000 2.366 191 G HA2 0.060 1.578 3.960 -4.071 0.000 0.190 191 G HA3 0.060 1.578 3.960 -4.071 0.000 0.190 191 G C -1.523 173.353 174.900 -0.039 0.000 1.299 191 G CA -0.224 44.864 45.100 -0.021 0.000 1.056 191 G HN 0.136 nan 8.290 nan 0.000 0.468 192 V N -1.696 118.186 119.914 -0.053 0.000 2.925 192 V HA 0.843 2.521 4.120 -4.071 0.000 0.311 192 V C -0.375 175.696 176.094 -0.039 0.000 1.104 192 V CA -0.930 61.333 62.300 -0.062 0.000 0.954 192 V CB 1.893 33.654 31.823 -0.104 0.000 1.022 192 V HN 1.330 nan 8.190 nan 0.000 0.427 193 I N 3.228 123.784 120.570 -0.023 0.000 2.330 193 I HA 0.829 2.557 4.170 -4.071 0.000 0.289 193 I C 0.182 176.307 176.117 0.013 0.000 1.001 193 I CA -0.387 60.914 61.300 0.002 0.000 1.193 193 I CB 0.838 38.836 38.000 -0.003 0.000 1.345 193 I HN 1.097 nan 8.210 nan 0.000 0.461 194 A N 7.515 130.369 122.820 0.057 0.000 2.343 194 A HA 0.597 2.474 4.320 -4.071 0.000 0.316 194 A C -1.269 176.410 177.584 0.159 0.000 1.104 194 A CA -0.635 51.461 52.037 0.099 0.000 0.768 194 A CB 1.435 20.489 19.000 0.091 0.000 1.213 194 A HN 0.743 nan 8.150 nan 0.000 0.456 195 L N 3.069 124.354 121.223 0.104 0.000 2.319 195 L HA 0.440 2.338 4.340 -4.071 0.000 0.280 195 L C 0.116 176.945 176.870 -0.069 0.000 1.099 195 L CA -0.198 54.658 54.840 0.027 0.000 0.828 195 L CB 0.753 42.788 42.059 -0.040 0.000 1.150 195 L HN 0.742 nan 8.230 nan 0.000 0.442 196 C N 6.699 125.909 119.300 -0.151 0.000 2.555 196 C HA 0.237 2.255 4.460 -4.071 0.000 0.385 196 C C 1.890 176.635 174.990 -0.409 0.000 1.296 196 C CA -0.556 58.093 59.018 -0.616 0.000 1.757 196 C CB -1.466 26.021 27.740 -0.421 0.000 2.445 196 C HN 0.971 nan 8.230 nan 0.000 0.571 197 I N 3.438 123.709 120.570 -0.498 0.000 2.286 197 I HA -0.156 1.571 4.170 -4.071 0.000 0.248 197 I C 2.391 178.167 176.117 -0.569 0.000 1.115 197 I CA 1.640 62.593 61.300 -0.578 0.000 1.392 197 I CB -0.418 37.065 38.000 -0.862 0.000 1.065 197 I HN 0.820 nan 8.210 nan 0.000 0.418 198 E N 1.854 121.815 120.200 -0.399 0.000 2.065 198 E HA -0.301 1.606 4.350 -4.071 0.000 0.201 198 E C 1.357 177.968 176.600 0.018 0.000 1.016 198 E CA 2.342 58.691 56.400 -0.086 0.000 0.818 198 E CB -0.004 29.709 29.700 0.022 0.000 0.749 198 E HN 0.702 nan 8.360 nan 0.000 0.453 199 D N -3.609 116.783 120.400 -0.013 0.000 2.490 199 D HA 0.145 2.342 4.640 -4.071 0.000 0.246 199 D C 1.148 177.466 176.300 0.030 0.000 1.196 199 D CA 0.656 54.681 54.000 0.043 0.000 0.812 199 D CB 0.301 41.148 40.800 0.079 0.000 1.191 199 D HN 0.399 nan 8.370 nan 0.000 0.531 200 G N 1.196 109.989 108.800 -0.011 0.000 2.157 200 G HA2 -0.262 1.256 3.960 -4.071 0.000 0.239 200 G HA3 -0.262 1.256 3.960 -4.071 0.000 0.239 200 G C 0.294 175.232 174.900 0.063 0.000 0.982 200 G CA 0.316 45.426 45.100 0.017 0.000 0.650 200 G HN 0.816 nan 8.290 nan 0.000 0.527 201 S N -0.169 115.557 115.700 0.043 0.000 2.549 201 S HA 0.669 2.696 4.470 -4.071 0.000 0.279 201 S C 0.264 174.796 174.600 -0.114 0.000 1.321 201 S CA -0.524 57.668 58.200 -0.015 0.000 1.054 201 S CB 1.719 64.903 63.200 -0.027 0.000 0.899 201 S HN 0.507 nan 8.310 nan 0.000 0.497 202 I N 4.150 124.621 120.570 -0.164 0.000 2.321 202 I HA 0.299 2.027 4.170 -4.071 0.000 0.291 202 I C 0.362 176.359 176.117 -0.200 0.000 0.998 202 I CA -0.444 60.779 61.300 -0.128 0.000 1.227 202 I CB 0.610 38.533 38.000 -0.128 0.000 1.368 202 I HN 0.648 nan 8.210 nan 0.000 0.466 203 H N 6.322 125.472 119.070 0.133 0.000 2.529 203 H HA 0.534 2.648 4.556 -4.071 0.000 0.348 203 H C -0.624 174.776 175.328 0.120 0.000 1.152 203 H CA -0.964 55.203 56.048 0.199 0.000 1.202 203 H CB 1.747 31.745 29.762 0.393 0.000 1.562 203 H HN 0.403 nan 8.280 nan 0.000 0.515 204 R N 2.309 122.947 120.500 0.230 0.000 2.320 204 R HA 0.306 2.204 4.340 -4.071 0.000 0.319 204 R C -0.620 175.781 176.300 0.167 0.000 0.969 204 R CA -0.613 55.565 56.100 0.130 0.000 0.857 204 R CB 0.631 30.973 30.300 0.070 0.000 1.160 204 R HN 0.398 nan 8.270 nan 0.000 0.491 205 I N 4.396 125.015 120.570 0.082 0.000 2.268 205 I HA 0.174 1.901 4.170 -4.071 0.000 0.290 205 I C 0.587 176.754 176.117 0.084 0.000 1.125 205 I CA -0.311 61.037 61.300 0.080 0.000 1.236 205 I CB 0.149 37.996 38.000 -0.255 0.000 1.469 205 I HN 0.372 nan 8.210 nan 0.000 0.512 206 R N 4.843 125.424 120.500 0.134 0.000 2.490 206 R HA 0.894 2.791 4.340 -4.071 0.000 0.278 206 R C -0.542 175.836 176.300 0.130 0.000 1.069 206 R CA -0.536 55.621 56.100 0.095 0.000 1.080 206 R CB 1.210 31.552 30.300 0.070 0.000 1.030 206 R HN 0.480 nan 8.270 nan 0.000 0.491 207 A N 1.946 124.820 122.820 0.089 0.000 2.602 207 A HA 0.339 2.217 4.320 -4.071 0.000 0.290 207 A C 0.166 177.790 177.584 0.066 0.000 1.114 207 A CA -0.944 51.154 52.037 0.101 0.000 0.683 207 A CB 1.673 20.731 19.000 0.096 0.000 1.281 207 A HN 0.899 nan 8.150 nan 0.000 0.416 208 R N -0.198 120.346 120.500 0.072 0.000 2.115 208 R HA 0.003 1.901 4.340 -4.071 0.000 0.226 208 R C -0.117 176.210 176.300 0.046 0.000 1.100 208 R CA 1.145 57.281 56.100 0.060 0.000 0.980 208 R CB 0.002 30.350 30.300 0.079 0.000 0.875 208 R HN 0.767 nan 8.270 nan 0.000 0.445 209 N N -0.864 117.853 118.700 0.029 0.000 2.469 209 N HA 0.285 2.582 4.740 -4.071 0.000 0.286 209 N C -1.365 174.154 175.510 0.015 0.000 1.275 209 N CA -0.379 52.694 53.050 0.038 0.000 0.790 209 N CB 2.471 40.951 38.487 -0.012 0.000 1.446 209 N HN -0.138 nan 8.380 nan 0.000 0.501 210 T N -0.020 114.569 114.554 0.058 0.000 2.993 210 T HA 0.371 2.278 4.350 -4.071 0.000 0.312 210 T C -0.727 174.004 174.700 0.053 0.000 1.115 210 T CA -0.508 61.598 62.100 0.009 0.000 1.027 210 T CB 1.799 70.661 68.868 -0.010 0.000 1.116 210 T HN 0.119 nan 8.240 nan 0.000 0.464 211 V N 2.762 122.659 119.914 -0.028 0.000 2.459 211 V HA 0.562 2.239 4.120 -4.071 0.000 0.295 211 V C -0.348 175.721 176.094 -0.042 0.000 1.029 211 V CA -0.770 61.521 62.300 -0.014 0.000 0.874 211 V CB 1.871 33.640 31.823 -0.090 0.000 0.985 211 V HN 0.768 nan 8.190 nan 0.000 0.438 212 V N 4.139 124.039 119.914 -0.024 0.000 2.313 212 V HA 0.698 2.375 4.120 -4.071 0.000 0.278 212 V C 0.410 176.479 176.094 -0.042 0.000 1.017 212 V CA -0.228 62.042 62.300 -0.050 0.000 0.823 212 V CB 1.307 33.097 31.823 -0.055 0.000 1.010 212 V HN 0.981 nan 8.190 nan 0.000 0.443 213 A N 2.868 125.657 122.820 -0.052 0.000 3.258 213 A HA 0.511 2.388 4.320 -4.071 0.000 0.318 213 A C 0.899 178.455 177.584 -0.047 0.000 0.990 213 A CA 0.179 52.195 52.037 -0.034 0.000 0.885 213 A CB 0.369 19.359 19.000 -0.016 0.000 1.090 213 A HN 0.805 nan 8.150 nan 0.000 0.479 214 T N -2.343 112.175 114.554 -0.060 0.000 3.086 214 T HA 0.469 2.376 4.350 -4.071 0.000 0.250 214 T C 1.192 175.852 174.700 -0.067 0.000 1.074 214 T CA 0.858 62.913 62.100 -0.075 0.000 0.988 214 T CB -0.221 68.587 68.868 -0.099 0.000 0.988 214 T HN 2.119 nan 8.240 nan 0.000 0.530 215 G N 0.688 109.452 108.800 -0.060 0.000 2.697 215 G HA2 0.142 1.660 3.960 -4.071 0.000 0.240 215 G HA3 0.142 1.660 3.960 -4.071 0.000 0.240 215 G C 0.240 175.060 174.900 -0.134 0.000 1.346 215 G CA -0.522 44.523 45.100 -0.092 0.000 0.887 215 G HN 0.974 nan 8.290 nan 0.000 0.569 216 G N -1.458 107.195 108.800 -0.245 0.000 2.667 216 G HA2 0.573 2.090 3.960 -4.071 0.000 0.250 216 G HA3 0.573 2.090 3.960 -4.071 0.000 0.250 216 G C 0.332 175.103 174.900 -0.215 0.000 1.212 216 G CA 0.541 45.425 45.100 -0.359 0.000 0.874 216 G HN 1.743 nan 8.290 nan 0.000 0.561 217 Y N -1.649 118.559 120.300 -0.153 0.000 2.734 217 Y HA 0.478 2.584 4.550 -4.074 0.000 0.278 217 Y C 1.678 177.545 175.900 -0.055 0.000 1.108 217 Y CA -0.773 57.276 58.100 -0.085 0.000 1.211 217 Y CB -0.033 38.399 38.460 -0.047 0.000 1.182 217 Y HN 0.445 nan 8.280 nan 0.000 0.547 218 G N 1.002 109.673 108.800 -0.216 0.000 2.527 218 G HA2 -0.177 1.341 3.960 -4.071 0.000 0.219 218 G HA3 -0.177 1.341 3.960 -4.071 0.000 0.219 218 G C 1.668 176.568 174.900 0.001 0.000 1.117 218 G CA 0.190 45.191 45.100 -0.165 0.000 0.759 218 G HN 0.249 nan 8.290 nan 0.000 0.556 219 R N 0.417 120.938 120.500 0.035 0.000 2.313 219 R HA 0.002 1.900 4.340 -4.071 0.000 0.199 219 R C 2.546 178.923 176.300 0.127 0.000 0.958 219 R CA 1.104 57.243 56.100 0.065 0.000 1.047 219 R CB -0.599 29.732 30.300 0.051 0.000 0.955 219 R HN 0.545 nan 8.270 nan 0.000 0.481 220 T N -2.598 112.068 114.554 0.186 0.000 2.962 220 T HA -0.060 1.848 4.350 -4.071 0.000 0.270 220 T C 0.762 175.480 174.700 0.031 0.000 1.088 220 T CA 0.825 62.998 62.100 0.122 0.000 1.127 220 T CB -0.154 68.799 68.868 0.142 0.000 0.883 220 T HN -0.007 nan 8.240 nan 0.000 0.493 221 Y N -0.659 119.702 120.300 0.101 0.000 2.488 221 Y HA 0.508 2.612 4.550 -4.075 0.000 0.325 221 Y C 0.923 176.914 175.900 0.151 0.000 1.204 221 Y CA -2.155 56.025 58.100 0.133 0.000 1.229 221 Y CB 0.780 39.301 38.460 0.101 0.000 1.274 221 Y HN -0.058 nan 8.280 nan 0.000 0.493 222 F N 0.335 120.414 119.950 0.216 0.000 2.098 222 F HA -0.022 2.062 4.527 -4.072 0.000 0.294 222 F C 1.214 177.084 175.800 0.116 0.000 1.107 222 F CA 1.232 59.313 58.000 0.136 0.000 1.234 222 F CB -0.074 38.993 39.000 0.113 0.000 1.002 222 F HN 0.304 nan 8.300 nan 0.000 0.472 223 S N 1.156 116.934 115.700 0.131 0.000 2.461 223 S HA 0.525 2.553 4.470 -4.071 0.000 0.322 223 S C -0.731 173.873 174.600 0.007 0.000 1.063 223 S CA -0.521 57.665 58.200 -0.023 0.000 1.120 223 S CB -0.490 62.790 63.200 0.134 0.000 0.968 223 S HN 0.504 nan 8.310 nan 0.000 0.467 224 C N 2.670 121.922 119.300 -0.080 0.000 2.994 224 C HA 0.709 2.727 4.460 -4.071 0.000 0.305 224 C C 1.629 176.557 174.990 -0.102 0.000 1.251 224 C CA -0.115 58.852 59.018 -0.085 0.000 1.478 224 C CB 0.715 28.400 27.740 -0.091 0.000 1.922 224 C HN 0.746 nan 8.230 nan 0.000 0.472 225 T N -0.275 114.236 114.554 -0.072 0.000 2.985 225 T HA 0.071 1.978 4.350 -4.071 0.000 0.266 225 T C 0.863 175.535 174.700 -0.046 0.000 1.076 225 T CA 1.127 63.191 62.100 -0.060 0.000 1.135 225 T CB -0.739 68.141 68.868 0.021 0.000 0.890 225 T HN 1.385 nan 8.240 nan 0.000 0.480 226 S N 1.651 117.310 115.700 -0.067 0.000 2.573 226 S HA 0.591 2.619 4.470 -4.071 0.000 0.277 226 S C 0.498 175.084 174.600 -0.023 0.000 1.346 226 S CA -0.657 57.518 58.200 -0.042 0.000 1.034 226 S CB 0.483 63.512 63.200 -0.286 0.000 0.879 226 S HN 0.722 nan 8.310 nan 0.000 0.528 227 A N 1.316 124.205 122.820 0.115 0.000 2.346 227 A HA 0.284 2.162 4.320 -4.071 0.000 0.252 227 A C 1.136 178.679 177.584 -0.069 0.000 1.089 227 A CA -0.487 51.582 52.037 0.053 0.000 0.797 227 A CB -0.320 18.850 19.000 0.282 0.000 1.047 227 A HN 1.009 nan 8.150 nan 0.000 0.494 228 H N 0.342 119.445 119.070 0.054 0.000 2.568 228 H HA -0.065 2.048 4.556 -4.070 0.000 0.281 228 H C 1.396 176.755 175.328 0.052 0.000 1.028 228 H CA 1.756 57.831 56.048 0.045 0.000 1.199 228 H CB -0.236 29.561 29.762 0.057 0.000 1.352 228 H HN 0.781 nan 8.280 nan 0.000 0.605 229 T N -3.651 110.980 114.554 0.127 0.000 3.044 229 T HA 0.098 2.006 4.350 -4.071 0.000 0.260 229 T C 1.026 175.738 174.700 0.019 0.000 1.019 229 T CA -0.322 61.839 62.100 0.102 0.000 0.921 229 T CB 0.163 69.102 68.868 0.118 0.000 1.053 229 T HN -0.065 nan 8.240 nan 0.000 0.533 230 S N 3.563 119.222 115.700 -0.069 0.000 4.120 230 S HA 0.209 2.236 4.470 -4.071 0.000 0.215 230 S C 1.098 175.679 174.600 -0.033 0.000 1.347 230 S CA -0.170 57.945 58.200 -0.142 0.000 0.889 230 S CB -0.612 62.393 63.200 -0.325 0.000 1.585 230 S HN 0.727 nan 8.310 nan 0.000 0.447 231 T N -1.671 112.899 114.554 0.027 0.000 3.215 231 T HA 0.389 2.297 4.350 -4.071 0.000 0.271 231 T C 1.107 175.862 174.700 0.091 0.000 1.012 231 T CA -0.057 62.093 62.100 0.084 0.000 0.899 231 T CB 0.106 69.046 68.868 0.120 0.000 1.089 231 T HN 0.572 nan 8.240 nan 0.000 0.552 232 G N 2.156 111.011 108.800 0.092 0.000 2.412 232 G HA2 -0.245 1.273 3.960 -4.071 0.000 0.297 232 G HA3 -0.245 1.273 3.960 -4.071 0.000 0.297 232 G C 0.416 175.326 174.900 0.016 0.000 0.965 232 G CA 0.393 45.550 45.100 0.096 0.000 1.134 232 G HN 0.511 nan 8.290 nan 0.000 0.511 233 D N 0.184 120.570 120.400 -0.023 0.000 2.103 233 D HA -0.042 2.155 4.640 -4.071 0.000 0.199 233 D C 2.502 178.746 176.300 -0.094 0.000 0.978 233 D CA 1.544 55.499 54.000 -0.074 0.000 0.829 233 D CB -0.666 40.002 40.800 -0.221 0.000 0.981 233 D HN 0.501 nan 8.370 nan 0.000 0.464 234 G N 0.160 108.900 108.800 -0.100 0.000 2.422 234 G HA2 -0.194 1.323 3.960 -4.071 0.000 0.218 234 G HA3 -0.194 1.323 3.960 -4.071 0.000 0.218 234 G C 1.629 176.485 174.900 -0.073 0.000 1.140 234 G CA 1.299 46.343 45.100 -0.092 0.000 0.775 234 G HN 0.222 nan 8.290 nan 0.000 0.545 235 T N 1.835 116.353 114.554 -0.060 0.000 2.708 235 T HA -0.039 1.868 4.350 -4.071 0.000 0.266 235 T C 2.817 177.464 174.700 -0.088 0.000 1.037 235 T CA 1.533 63.587 62.100 -0.076 0.000 1.146 235 T CB -0.394 68.422 68.868 -0.086 0.000 0.865 235 T HN 0.353 nan 8.240 nan 0.000 0.435 236 A N 1.536 124.314 122.820 -0.070 0.000 1.933 236 A HA -0.037 1.841 4.320 -4.071 0.000 0.218 236 A C 2.361 179.918 177.584 -0.043 0.000 1.175 236 A CA 1.506 53.512 52.037 -0.051 0.000 0.628 236 A CB -0.766 18.224 19.000 -0.016 0.000 0.814 236 A HN 0.482 nan 8.150 nan 0.000 0.444 237 M N -0.784 118.786 119.600 -0.050 0.000 2.149 237 M HA -0.142 1.895 4.480 -4.071 0.000 0.261 237 M C 2.010 178.280 176.300 -0.050 0.000 1.064 237 M CA 1.328 56.598 55.300 -0.049 0.000 1.102 237 M CB -0.453 32.107 32.600 -0.066 0.000 1.369 237 M HN 0.252 nan 8.290 nan 0.000 0.408 238 V N -0.059 119.817 119.914 -0.064 0.000 2.407 238 V HA -0.180 1.498 4.120 -4.071 0.000 0.245 238 V C 2.284 178.335 176.094 -0.070 0.000 1.041 238 V CA 2.147 64.404 62.300 -0.071 0.000 1.040 238 V CB -0.845 30.925 31.823 -0.089 0.000 0.671 238 V HN 0.512 nan 8.190 nan 0.000 0.455 239 T N -0.355 114.152 114.554 -0.078 0.000 2.867 239 T HA -0.149 1.759 4.350 -4.071 0.000 0.268 239 T C 1.925 176.605 174.700 -0.033 0.000 1.057 239 T CA 1.001 63.055 62.100 -0.077 0.000 1.136 239 T CB -0.233 68.578 68.868 -0.095 0.000 0.874 239 T HN 0.387 nan 8.240 nan 0.000 0.466 240 R N 0.898 121.385 120.500 -0.022 0.000 2.276 240 R HA 0.253 2.151 4.340 -4.071 0.000 0.203 240 R C 2.301 178.601 176.300 -0.001 0.000 1.017 240 R CA 0.667 56.765 56.100 -0.003 0.000 1.010 240 R CB -0.138 30.163 30.300 0.002 0.000 0.900 240 R HN 0.365 nan 8.270 nan 0.000 0.469 241 A N -0.032 122.784 122.820 -0.006 0.000 2.238 241 A HA 0.248 2.126 4.320 -4.071 0.000 0.210 241 A C 1.386 178.983 177.584 0.021 0.000 1.179 241 A CA 0.678 52.714 52.037 -0.000 0.000 0.827 241 A CB 0.182 19.174 19.000 -0.012 0.000 0.856 241 A HN 0.375 nan 8.150 nan 0.000 0.488 242 G N -1.149 107.675 108.800 0.039 0.000 2.141 242 G HA2 -0.201 1.317 3.960 -4.071 0.000 0.242 242 G HA3 -0.201 1.317 3.960 -4.071 0.000 0.242 242 G C 0.058 175.068 174.900 0.183 0.000 0.982 242 G CA 0.282 45.450 45.100 0.113 0.000 0.662 242 G HN 0.417 nan 8.290 nan 0.000 0.527 243 L N 2.008 123.260 121.223 0.049 0.000 2.375 243 L HA 0.468 2.365 4.340 -4.071 0.000 0.271 243 L C -1.214 175.508 176.870 -0.246 0.000 1.107 243 L CA -2.169 52.662 54.840 -0.015 0.000 0.806 243 L CB 0.926 42.957 42.059 -0.046 0.000 1.146 243 L HN -0.023 nan 8.230 nan 0.000 0.447 244 P HA 0.115 nan 4.420 nan 0.000 0.274 244 P C -1.219 175.833 177.300 -0.415 0.000 1.237 244 P CA -0.497 62.132 63.100 -0.784 0.000 0.793 244 P CB 0.996 32.324 31.700 -0.620 0.000 0.977 245 C N 1.168 120.233 119.300 -0.392 0.000 2.455 245 C HA 0.480 2.497 4.460 -4.071 0.000 0.320 245 C C 0.244 175.130 174.990 -0.173 0.000 1.226 245 C CA -0.210 58.669 59.018 -0.232 0.000 1.569 245 C CB 1.013 28.629 27.740 -0.207 0.000 2.200 245 C HN 0.576 nan 8.230 nan 0.000 0.491 246 Q N 1.275 121.008 119.800 -0.111 0.000 2.245 246 Q HA 0.243 2.140 4.340 -4.071 0.000 0.256 246 Q C -0.302 175.722 176.000 0.039 0.000 0.942 246 Q CA -0.124 55.643 55.803 -0.060 0.000 0.896 246 Q CB 0.743 29.404 28.738 -0.129 0.000 1.272 246 Q HN 0.786 nan 8.270 nan 0.000 0.442 247 D N 2.621 123.109 120.400 0.146 0.000 2.792 247 D HA -0.241 1.957 4.640 -4.071 0.000 0.231 247 D C 0.641 177.158 176.300 0.362 0.000 1.160 247 D CA 0.717 54.917 54.000 0.334 0.000 0.697 247 D CB -0.684 40.253 40.800 0.228 0.000 1.070 247 D HN 0.664 nan 8.370 nan 0.000 0.426 248 L N 0.293 121.637 121.223 0.203 0.000 2.265 248 L HA -0.166 1.731 4.340 -4.071 0.000 0.215 248 L C 2.618 179.620 176.870 0.220 0.000 1.117 248 L CA 1.327 56.275 54.840 0.181 0.000 0.782 248 L CB -0.247 41.813 42.059 0.001 0.000 0.914 248 L HN 0.220 nan 8.230 nan 0.000 0.441 249 E N 0.385 120.662 120.200 0.130 0.000 2.274 249 E HA -0.163 1.745 4.350 -4.071 0.000 0.194 249 E C 0.263 176.853 176.600 -0.018 0.000 0.996 249 E CA 0.291 56.690 56.400 -0.001 0.000 0.840 249 E CB -0.268 29.290 29.700 -0.237 0.000 0.772 249 E HN 0.266 nan 8.360 nan 0.000 0.491 250 F N 1.730 121.761 119.950 0.134 0.000 2.466 250 F HA 0.209 2.291 4.527 -4.074 0.000 0.363 250 F C 0.029 175.896 175.800 0.112 0.000 1.109 250 F CA -0.371 57.717 58.000 0.146 0.000 1.161 250 F CB 1.130 40.209 39.000 0.132 0.000 1.117 250 F HN -0.288 nan 8.300 nan 0.000 0.539 251 V N 4.236 124.276 119.914 0.210 0.000 2.483 251 V HA 0.240 1.917 4.120 -4.071 0.000 0.297 251 V C -0.241 175.826 176.094 -0.045 0.000 1.027 251 V CA -1.009 61.281 62.300 -0.016 0.000 0.855 251 V CB 1.592 33.291 31.823 -0.207 0.000 0.995 251 V HN 0.651 nan 8.190 nan 0.000 0.424 252 Q N 3.599 123.379 119.800 -0.033 0.000 2.295 252 Q HA 0.391 2.289 4.340 -4.071 0.000 0.259 252 Q C -1.471 174.462 176.000 -0.111 0.000 0.976 252 Q CA -0.272 55.557 55.803 0.042 0.000 0.923 252 Q CB 0.607 29.433 28.738 0.147 0.000 1.185 252 Q HN 0.623 nan 8.270 nan 0.000 0.410 253 F N 3.251 123.196 119.950 -0.010 0.000 2.350 253 F HA 0.173 2.255 4.527 -4.076 0.000 0.365 253 F C 0.199 175.987 175.800 -0.021 0.000 1.122 253 F CA -0.608 57.380 58.000 -0.020 0.000 1.139 253 F CB 0.654 39.606 39.000 -0.081 0.000 1.220 253 F HN 0.617 nan 8.300 nan 0.000 0.499 254 H N 5.382 124.475 119.070 0.039 0.000 2.975 254 H HA 0.109 2.223 4.556 -4.071 0.000 0.303 254 H C -1.697 173.630 175.328 -0.002 0.000 1.023 254 H CA -1.274 54.722 56.048 -0.085 0.000 1.473 254 H CB 1.081 30.692 29.762 -0.253 0.000 1.498 254 H HN 0.328 nan 8.280 nan 0.000 0.549 255 P HA -0.098 nan 4.420 nan 0.000 0.217 255 P C -0.139 177.250 177.300 0.150 0.000 1.150 255 P CA 1.202 64.331 63.100 0.048 0.000 0.832 255 P CB 0.289 31.952 31.700 -0.060 0.000 0.787 256 T N -2.077 112.650 114.554 0.288 0.000 2.801 256 T HA 0.696 2.604 4.350 -4.071 0.000 0.306 256 T C 0.092 174.871 174.700 0.133 0.000 1.020 256 T CA -0.755 61.472 62.100 0.212 0.000 0.948 256 T CB 0.861 69.828 68.868 0.166 0.000 0.962 256 T HN 0.082 nan 8.240 nan 0.000 0.465 257 G N 3.184 112.033 108.800 0.081 0.000 2.768 257 G HA2 0.510 2.027 3.960 -4.071 0.000 0.297 257 G HA3 0.510 2.027 3.960 -4.071 0.000 0.297 257 G C -0.691 174.227 174.900 0.031 0.000 1.430 257 G CA -1.065 44.044 45.100 0.014 0.000 1.030 257 G HN 0.779 nan 8.290 nan 0.000 0.553 258 I N 1.827 122.391 120.570 -0.010 0.000 2.919 258 I HA -0.080 1.648 4.170 -4.071 0.000 0.303 258 I C 1.621 177.768 176.117 0.050 0.000 1.221 258 I CA 0.065 61.373 61.300 0.014 0.000 1.444 258 I CB 0.397 38.379 38.000 -0.030 0.000 1.331 258 I HN 0.678 nan 8.210 nan 0.000 0.572 259 Y N 6.085 126.355 120.300 -0.049 0.000 2.274 259 Y HA -0.067 2.040 4.550 -4.072 0.000 0.290 259 Y C 1.817 177.732 175.900 0.025 0.000 1.145 259 Y CA 1.422 59.508 58.100 -0.023 0.000 1.203 259 Y CB -0.419 37.965 38.460 -0.125 0.000 0.984 259 Y HN 0.637 nan 8.280 nan 0.000 0.533 260 G N 0.182 108.875 108.800 -0.178 0.000 2.622 260 G HA2 -0.080 1.437 3.960 -4.071 0.000 0.206 260 G HA3 -0.080 1.437 3.960 -4.071 0.000 0.206 260 G C 1.706 176.520 174.900 -0.143 0.000 1.458 260 G CA 0.925 45.899 45.100 -0.210 0.000 0.919 260 G HN 0.530 nan 8.290 nan 0.000 0.508 261 A N -1.106 121.689 122.820 -0.043 0.000 2.066 261 A HA 0.401 2.278 4.320 -4.071 0.000 0.218 261 A C 2.017 179.506 177.584 -0.158 0.000 1.157 261 A CA 1.777 53.774 52.037 -0.067 0.000 0.670 261 A CB -0.551 18.460 19.000 0.019 0.000 0.804 261 A HN 2.089 nan 8.150 nan 0.000 0.453 262 G N -2.350 106.357 108.800 -0.156 0.000 2.134 262 G HA2 -0.212 1.305 3.960 -4.071 0.000 0.209 262 G HA3 -0.212 1.305 3.960 -4.071 0.000 0.209 262 G C 0.171 174.973 174.900 -0.162 0.000 0.993 262 G CA -0.169 44.851 45.100 -0.133 0.000 0.669 262 G HN 0.616 nan 8.290 nan 0.000 0.519 263 C N 0.028 119.176 119.300 -0.253 0.000 2.689 263 C HA 0.546 2.564 4.460 -4.071 0.000 0.409 263 C C 1.244 176.120 174.990 -0.189 0.000 1.293 263 C CA -0.343 58.501 59.018 -0.291 0.000 2.136 263 C CB 0.419 27.845 27.740 -0.524 0.000 2.719 263 C HN 0.689 nan 8.230 nan 0.000 0.644 264 L N 2.964 124.084 121.223 -0.171 0.000 2.349 264 L HA 0.500 2.398 4.340 -4.071 0.000 0.275 264 L C -0.424 176.361 176.870 -0.141 0.000 1.115 264 L CA 0.458 55.196 54.840 -0.169 0.000 0.820 264 L CB 0.181 42.140 42.059 -0.167 0.000 1.135 264 L HN 0.516 nan 8.230 nan 0.000 0.445 265 I N 4.300 124.793 120.570 -0.127 0.000 2.362 265 I HA 0.215 1.943 4.170 -4.071 0.000 0.289 265 I C 0.572 176.655 176.117 -0.057 0.000 0.994 265 I CA -0.464 60.800 61.300 -0.060 0.000 1.158 265 I CB 1.601 39.597 38.000 -0.007 0.000 1.315 265 I HN 0.585 nan 8.210 nan 0.000 0.451 266 T N 3.318 117.865 114.554 -0.011 0.000 2.906 266 T HA -0.073 1.835 4.350 -4.071 0.000 0.320 266 T C 1.152 175.899 174.700 0.078 0.000 1.088 266 T CA 0.278 62.413 62.100 0.059 0.000 1.120 266 T CB 0.591 69.531 68.868 0.120 0.000 1.000 266 T HN 0.816 nan 8.240 nan 0.000 0.550 267 E N 1.749 121.990 120.200 0.068 0.000 2.418 267 E HA 0.019 1.926 4.350 -4.071 0.000 0.197 267 E C 1.995 178.248 176.600 -0.579 0.000 1.026 267 E CA 0.736 56.939 56.400 -0.329 0.000 0.862 267 E CB -0.639 28.675 29.700 -0.643 0.000 0.799 267 E HN 0.904 nan 8.360 nan 0.000 0.518 268 G N 0.293 108.961 108.800 -0.220 0.000 2.448 268 G HA2 -0.276 1.242 3.960 -4.071 0.000 0.219 268 G HA3 -0.276 1.242 3.960 -4.071 0.000 0.219 268 G C 1.548 176.444 174.900 -0.006 0.000 1.127 268 G CA 0.822 45.938 45.100 0.025 0.000 0.766 268 G HN 0.385 nan 8.290 nan 0.000 0.552 269 C N 0.000 119.287 119.300 -0.022 0.000 2.429 269 C HA 0.039 2.057 4.460 -4.071 0.000 0.277 269 C C 2.913 177.885 174.990 -0.031 0.000 1.262 269 C CA 0.661 59.671 59.018 -0.013 0.000 1.733 269 C CB -0.750 26.991 27.740 0.001 0.000 2.010 269 C HN 0.461 nan 8.230 nan 0.000 0.483 270 R N 0.385 120.833 120.500 -0.085 0.000 2.153 270 R HA 0.012 1.910 4.340 -4.071 0.000 0.218 270 R C 2.447 178.690 176.300 -0.096 0.000 1.072 270 R CA 1.235 57.280 56.100 -0.093 0.000 0.990 270 R CB -0.499 29.711 30.300 -0.151 0.000 0.889 270 R HN 0.618 nan 8.270 nan 0.000 0.452 271 G N 0.908 109.622 108.800 -0.143 0.000 2.403 271 G HA2 -0.193 1.324 3.960 -4.071 0.000 0.216 271 G HA3 -0.193 1.324 3.960 -4.071 0.000 0.216 271 G C 1.223 176.158 174.900 0.058 0.000 1.154 271 G CA 0.224 45.287 45.100 -0.062 0.000 0.784 271 G HN 0.155 nan 8.290 nan 0.000 0.538 272 E N 0.082 120.322 120.200 0.066 0.000 2.152 272 E HA 0.051 1.959 4.350 -4.071 0.000 0.192 272 E C 1.983 178.632 176.600 0.081 0.000 0.983 272 E CA 1.103 57.560 56.400 0.095 0.000 0.818 272 E CB 0.128 29.872 29.700 0.073 0.000 0.758 272 E HN 0.493 nan 8.360 nan 0.000 0.467 273 G N -0.022 108.818 108.800 0.067 0.000 3.658 273 G HA2 -0.096 1.421 3.960 -4.071 0.000 0.220 273 G HA3 -0.096 1.421 3.960 -4.071 0.000 0.220 273 G C 0.583 175.593 174.900 0.184 0.000 0.917 273 G CA -0.174 44.991 45.100 0.110 0.000 0.865 273 G HN 0.402 nan 8.290 nan 0.000 0.652 274 G N 0.836 109.697 108.800 0.101 0.000 2.432 274 G HA2 0.466 1.983 3.960 -4.071 0.000 0.239 274 G HA3 0.466 1.983 3.960 -4.071 0.000 0.239 274 G C 0.088 175.079 174.900 0.151 0.000 1.291 274 G CA 0.205 45.382 45.100 0.128 0.000 0.863 274 G HN 0.352 nan 8.290 nan 0.000 0.560 275 I N 1.276 121.983 120.570 0.230 0.000 2.603 275 I HA 0.342 2.070 4.170 -4.071 0.000 0.300 275 I C 0.048 176.228 176.117 0.106 0.000 1.017 275 I CA -0.924 60.437 61.300 0.103 0.000 1.098 275 I CB 1.777 39.800 38.000 0.038 0.000 1.279 275 I HN 0.241 nan 8.210 nan 0.000 0.437 276 L N 5.218 126.459 121.223 0.030 0.000 2.276 276 L HA 0.423 2.321 4.340 -4.071 0.000 0.286 276 L C -0.499 176.543 176.870 0.286 0.000 1.061 276 L CA -0.256 54.666 54.840 0.137 0.000 0.807 276 L CB 1.055 43.140 42.059 0.043 0.000 1.177 276 L HN 0.363 nan 8.230 nan 0.000 0.429 277 I N 3.509 124.334 120.570 0.424 0.000 2.509 277 I HA 0.309 2.037 4.170 -4.071 0.000 0.293 277 I C -0.069 176.269 176.117 0.368 0.000 1.020 277 I CA -0.346 61.202 61.300 0.413 0.000 1.088 277 I CB 1.766 39.931 38.000 0.274 0.000 1.267 277 I HN 0.624 nan 8.210 nan 0.000 0.430 278 N N 2.999 121.851 118.700 0.253 0.000 2.448 278 N HA 0.184 2.481 4.740 -4.071 0.000 0.274 278 N C 0.852 176.399 175.510 0.061 0.000 1.239 278 N CA -0.204 52.847 53.050 0.002 0.000 0.982 278 N CB 0.184 38.571 38.487 -0.168 0.000 1.199 278 N HN 0.507 nan 8.380 nan 0.000 0.576 279 S N -1.979 113.702 115.700 -0.032 0.000 2.447 279 S HA -0.196 1.832 4.470 -4.071 0.000 0.233 279 S C 1.528 176.145 174.600 0.027 0.000 1.006 279 S CA 0.771 58.973 58.200 0.003 0.000 0.957 279 S CB -0.458 62.696 63.200 -0.078 0.000 0.773 279 S HN 0.696 nan 8.310 nan 0.000 0.507 280 Q N 1.175 120.986 119.800 0.018 0.000 2.083 280 Q HA 0.163 2.061 4.340 -4.071 0.000 0.198 280 Q C 1.641 177.673 176.000 0.052 0.000 0.969 280 Q CA 1.331 57.151 55.803 0.027 0.000 0.838 280 Q CB -0.202 28.548 28.738 0.021 0.000 0.900 280 Q HN 0.768 nan 8.270 nan 0.000 0.436 281 G N 0.180 109.029 108.800 0.082 0.000 2.336 281 G HA2 -0.202 1.315 3.960 -4.071 0.000 0.194 281 G HA3 -0.202 1.315 3.960 -4.071 0.000 0.194 281 G C -0.143 174.819 174.900 0.105 0.000 0.999 281 G CA 0.008 45.163 45.100 0.091 0.000 0.669 281 G HN 0.353 nan 8.290 nan 0.000 0.482 282 E N 1.000 121.268 120.200 0.114 0.000 2.383 282 E HA 0.288 2.196 4.350 -4.071 0.000 0.264 282 E C 0.517 177.225 176.600 0.179 0.000 1.050 282 E CA -0.660 55.813 56.400 0.121 0.000 0.896 282 E CB 0.405 30.173 29.700 0.113 0.000 0.982 282 E HN 0.301 nan 8.360 nan 0.000 0.424 283 R N 4.660 125.226 120.500 0.109 0.000 2.606 283 R HA -0.043 1.855 4.340 -4.071 0.000 0.276 283 R C 0.846 177.194 176.300 0.079 0.000 1.416 283 R CA 0.033 56.170 56.100 0.062 0.000 1.064 283 R CB -0.487 29.812 30.300 -0.003 0.000 1.117 283 R HN 0.509 nan 8.270 nan 0.000 0.543 284 F N 2.448 122.451 119.950 0.089 0.000 2.407 284 F HA -0.024 2.059 4.527 -4.072 0.000 0.299 284 F C 1.222 177.158 175.800 0.226 0.000 1.097 284 F CA 0.194 58.278 58.000 0.141 0.000 1.422 284 F CB -0.048 39.050 39.000 0.164 0.000 1.067 284 F HN 0.292 nan 8.300 nan 0.000 0.539 285 M N 1.061 120.340 119.600 -0.534 0.000 2.476 285 M HA -0.082 1.956 4.480 -4.071 0.000 0.262 285 M C 2.075 178.353 176.300 -0.036 0.000 1.079 285 M CA 1.003 56.120 55.300 -0.305 0.000 1.104 285 M CB -1.144 31.174 32.600 -0.471 0.000 1.409 285 M HN 0.472 nan 8.290 nan 0.000 0.467 286 E N 0.142 120.325 120.200 -0.028 0.000 2.208 286 E HA -0.164 1.744 4.350 -4.071 0.000 0.193 286 E C 2.152 178.777 176.600 0.041 0.000 0.988 286 E CA 0.640 57.046 56.400 0.010 0.000 0.828 286 E CB 0.204 29.904 29.700 -0.001 0.000 0.763 286 E HN 0.380 nan 8.360 nan 0.000 0.478 287 R N -0.973 119.566 120.500 0.065 0.000 2.090 287 R HA -0.100 1.797 4.340 -4.071 0.000 0.228 287 R C 1.398 177.669 176.300 -0.048 0.000 1.110 287 R CA 1.021 57.120 56.100 -0.001 0.000 0.973 287 R CB 0.035 30.318 30.300 -0.028 0.000 0.869 287 R HN 0.187 nan 8.270 nan 0.000 0.440 288 Y N -0.103 120.229 120.300 0.054 0.000 2.314 288 Y HA 0.154 2.261 4.550 -4.072 0.000 0.259 288 Y C 0.888 176.816 175.900 0.046 0.000 1.052 288 Y CA 0.823 58.959 58.100 0.061 0.000 1.056 288 Y CB -0.141 38.367 38.460 0.081 0.000 1.023 288 Y HN 0.004 nan 8.280 nan 0.000 0.471 289 A N 1.402 124.363 122.820 0.235 0.000 2.341 289 A HA 0.321 2.199 4.320 -4.071 0.000 0.326 289 A C -2.092 175.547 177.584 0.093 0.000 1.402 289 A CA -1.392 50.732 52.037 0.145 0.000 0.957 289 A CB -0.046 19.043 19.000 0.149 0.000 1.151 289 A HN 0.245 nan 8.150 nan 0.000 0.533 290 P HA -0.019 nan 4.420 nan 0.000 0.235 290 P C 1.331 178.652 177.300 0.036 0.000 1.177 290 P CA 0.559 63.684 63.100 0.042 0.000 0.785 290 P CB 0.211 31.930 31.700 0.031 0.000 0.885 291 V N 0.739 120.681 119.914 0.047 0.000 2.307 291 V HA -0.099 1.579 4.120 -4.071 0.000 0.245 291 V C 2.536 178.658 176.094 0.046 0.000 1.045 291 V CA 2.459 64.782 62.300 0.038 0.000 1.024 291 V CB -1.481 30.362 31.823 0.033 0.000 0.651 291 V HN 0.137 nan 8.190 nan 0.000 0.449 292 A N -2.465 120.401 122.820 0.076 0.000 2.259 292 A HA 0.273 2.151 4.320 -4.071 0.000 0.213 292 A C 1.118 178.719 177.584 0.029 0.000 1.209 292 A CA 0.430 52.514 52.037 0.078 0.000 0.910 292 A CB 0.207 19.313 19.000 0.177 0.000 0.946 292 A HN 0.469 nan 8.150 nan 0.000 0.497 293 K N -0.438 119.974 120.400 0.019 0.000 1.909 293 K HA -0.200 1.678 4.320 -4.071 0.000 0.242 293 K C -0.110 176.445 176.600 -0.075 0.000 1.617 293 K CA 1.523 57.794 56.287 -0.027 0.000 0.522 293 K CB -1.226 31.253 32.500 -0.036 0.000 0.770 293 K HN 0.553 nan 8.250 nan 0.000 0.792 294 D N 1.047 121.378 120.400 -0.116 0.000 2.363 294 D HA -0.044 2.154 4.640 -4.071 0.000 0.226 294 D C 0.919 177.138 176.300 -0.134 0.000 1.020 294 D CA 0.652 54.558 54.000 -0.157 0.000 0.892 294 D CB 0.037 40.731 40.800 -0.176 0.000 0.900 294 D HN 0.166 nan 8.370 nan 0.000 0.531 295 L N 0.493 121.655 121.223 -0.102 0.000 3.062 295 L HA 0.419 2.317 4.340 -4.071 0.000 0.255 295 L C 0.431 177.242 176.870 -0.099 0.000 1.274 295 L CA -0.524 54.249 54.840 -0.112 0.000 1.047 295 L CB 0.176 42.188 42.059 -0.078 0.000 1.402 295 L HN -0.031 nan 8.230 nan 0.000 0.550 296 A N -1.296 121.451 122.820 -0.122 0.000 2.529 296 A HA 0.623 2.500 4.320 -4.071 0.000 0.269 296 A C 0.577 177.926 177.584 -0.392 0.000 1.509 296 A CA -0.312 51.622 52.037 -0.173 0.000 0.857 296 A CB -0.035 18.922 19.000 -0.073 0.000 1.531 296 A HN 0.239 nan 8.150 nan 0.000 0.541 297 S N -0.224 115.076 115.700 -0.666 0.000 2.572 297 S HA 0.128 2.155 4.470 -4.071 0.000 0.279 297 S C 1.530 175.938 174.600 -0.319 0.000 1.341 297 S CA -0.532 57.306 58.200 -0.603 0.000 1.043 297 S CB 0.391 63.191 63.200 -0.667 0.000 0.887 297 S HN 0.535 nan 8.310 nan 0.000 0.516 298 R N 2.164 122.506 120.500 -0.263 0.000 2.105 298 R HA -0.117 1.781 4.340 -4.071 0.000 0.239 298 R C 1.746 177.960 176.300 -0.144 0.000 1.135 298 R CA 1.663 57.628 56.100 -0.225 0.000 0.967 298 R CB -0.733 29.439 30.300 -0.214 0.000 0.861 298 R HN 0.822 nan 8.270 nan 0.000 0.442 299 D N 0.128 120.471 120.400 -0.095 0.000 2.149 299 D HA -0.080 2.117 4.640 -4.071 0.000 0.201 299 D C 1.831 178.092 176.300 -0.066 0.000 0.972 299 D CA 0.755 54.733 54.000 -0.036 0.000 0.835 299 D CB -0.321 40.494 40.800 0.025 0.000 0.966 299 D HN 0.041 nan 8.370 nan 0.000 0.476 300 V N 1.037 120.903 119.914 -0.081 0.000 2.488 300 V HA -0.154 1.523 4.120 -4.071 0.000 0.246 300 V C 2.933 178.967 176.094 -0.100 0.000 1.046 300 V CA 0.845 63.111 62.300 -0.057 0.000 1.053 300 V CB -0.155 31.655 31.823 -0.023 0.000 0.679 300 V HN 0.079 nan 8.190 nan 0.000 0.458 301 V N 1.299 121.134 119.914 -0.132 0.000 2.295 301 V HA -0.215 1.463 4.120 -4.071 0.000 0.246 301 V C 2.700 178.728 176.094 -0.110 0.000 1.049 301 V CA 2.320 64.536 62.300 -0.140 0.000 1.024 301 V CB -0.863 30.863 31.823 -0.162 0.000 0.648 301 V HN 0.746 nan 8.190 nan 0.000 0.447 302 S N 0.256 115.893 115.700 -0.104 0.000 2.428 302 S HA -0.204 1.824 4.470 -4.071 0.000 0.230 302 S C 2.005 176.514 174.600 -0.152 0.000 1.014 302 S CA 1.213 59.359 58.200 -0.090 0.000 0.957 302 S CB -0.419 62.748 63.200 -0.055 0.000 0.784 302 S HN 0.465 nan 8.310 nan 0.000 0.499 303 R N 1.694 122.094 120.500 -0.167 0.000 2.081 303 R HA 0.051 1.949 4.340 -4.071 0.000 0.235 303 R C 2.364 178.632 176.300 -0.055 0.000 1.131 303 R CA 1.764 57.772 56.100 -0.153 0.000 0.960 303 R CB -0.683 29.581 30.300 -0.060 0.000 0.856 303 R HN 0.482 nan 8.270 nan 0.000 0.436 304 S N -0.169 115.395 115.700 -0.226 0.000 2.371 304 S HA -0.083 1.945 4.470 -4.071 0.000 0.224 304 S C 1.856 176.317 174.600 -0.232 0.000 1.029 304 S CA 1.316 59.158 58.200 -0.597 0.000 0.978 304 S CB -0.116 62.478 63.200 -1.010 0.000 0.833 304 S HN 0.279 nan 8.310 nan 0.000 0.466 305 M N 1.146 120.721 119.600 -0.041 0.000 2.086 305 M HA -0.109 1.929 4.480 -4.071 0.000 0.261 305 M C 2.286 178.563 176.300 -0.039 0.000 1.067 305 M CA 1.406 56.713 55.300 0.011 0.000 1.116 305 M CB -1.025 31.619 32.600 0.073 0.000 1.348 305 M HN 0.273 nan 8.290 nan 0.000 0.407 306 T N 0.966 115.508 114.554 -0.020 0.000 2.788 306 T HA -0.130 1.778 4.350 -4.071 0.000 0.268 306 T C 1.688 176.456 174.700 0.113 0.000 1.044 306 T CA 1.003 63.117 62.100 0.024 0.000 1.139 306 T CB -0.269 68.573 68.868 -0.043 0.000 0.867 306 T HN 0.199 nan 8.240 nan 0.000 0.454 307 L N 1.103 122.423 121.223 0.163 0.000 2.093 307 L HA 0.022 1.920 4.340 -4.071 0.000 0.208 307 L C 2.461 179.366 176.870 0.057 0.000 1.085 307 L CA 1.602 56.519 54.840 0.127 0.000 0.755 307 L CB -0.394 41.773 42.059 0.179 0.000 0.904 307 L HN 0.070 nan 8.230 nan 0.000 0.435 308 E N -0.351 119.857 120.200 0.012 0.000 2.204 308 E HA -0.160 1.747 4.350 -4.071 0.000 0.194 308 E C 2.221 178.750 176.600 -0.119 0.000 0.989 308 E CA 1.237 57.592 56.400 -0.076 0.000 0.824 308 E CB -0.086 29.437 29.700 -0.296 0.000 0.756 308 E HN 0.589 nan 8.360 nan 0.000 0.477 309 I N 0.562 121.074 120.570 -0.098 0.000 2.353 309 I HA -0.199 1.528 4.170 -4.071 0.000 0.248 309 I C 2.356 178.430 176.117 -0.071 0.000 1.119 309 I CA 0.691 61.932 61.300 -0.098 0.000 1.417 309 I CB -0.114 37.844 38.000 -0.070 0.000 1.078 309 I HN -0.091 nan 8.210 nan 0.000 0.421 310 R N 0.927 121.401 120.500 -0.043 0.000 2.148 310 R HA -0.053 1.844 4.340 -4.071 0.000 0.223 310 R C 1.924 178.197 176.300 -0.046 0.000 1.088 310 R CA 0.835 56.911 56.100 -0.039 0.000 0.985 310 R CB -0.424 29.855 30.300 -0.034 0.000 0.880 310 R HN 0.432 nan 8.270 nan 0.000 0.451 311 E N -0.518 119.655 120.200 -0.044 0.000 2.208 311 E HA -0.040 1.868 4.350 -4.071 0.000 0.193 311 E C 1.126 177.695 176.600 -0.051 0.000 0.988 311 E CA 1.189 57.563 56.400 -0.042 0.000 0.828 311 E CB 0.116 29.798 29.700 -0.030 0.000 0.763 311 E HN 0.516 nan 8.360 nan 0.000 0.478 312 G N 1.131 109.892 108.800 -0.066 0.000 2.321 312 G HA2 -0.146 1.371 3.960 -4.071 0.000 0.174 312 G HA3 -0.146 1.371 3.960 -4.071 0.000 0.174 312 G C 0.263 175.108 174.900 -0.091 0.000 1.008 312 G CA -0.507 44.550 45.100 -0.072 0.000 0.739 312 G HN 0.037 nan 8.290 nan 0.000 0.502 313 R N 1.373 121.805 120.500 -0.112 0.000 4.141 313 R HA 0.504 2.401 4.340 -4.071 0.000 0.281 313 R C 1.100 177.281 176.300 -0.199 0.000 1.608 313 R CA 0.536 56.551 56.100 -0.142 0.000 1.426 313 R CB 0.417 30.624 30.300 -0.155 0.000 1.432 313 R HN 0.361 nan 8.270 nan 0.000 0.708 314 G N -1.015 107.664 108.800 -0.202 0.000 2.372 314 G HA2 0.189 1.707 3.960 -4.071 0.000 0.283 314 G HA3 0.189 1.707 3.960 -4.071 0.000 0.283 314 G C 0.370 175.049 174.900 -0.367 0.000 1.177 314 G CA -0.592 44.334 45.100 -0.291 0.000 0.842 314 G HN 0.503 nan 8.290 nan 0.000 0.503 315 C N 2.087 121.018 119.300 -0.614 0.000 2.906 315 C HA 0.440 2.458 4.460 -4.071 0.000 0.274 315 C C 1.691 176.229 174.990 -0.753 0.000 1.257 315 C CA 0.049 58.646 59.018 -0.702 0.000 1.695 315 C CB -0.755 26.343 27.740 -1.070 0.000 1.958 315 C HN 0.827 nan 8.230 nan 0.000 0.619 316 G N 0.986 109.253 108.800 -0.888 0.000 2.820 316 G HA2 0.499 2.017 3.960 -4.071 0.000 0.291 316 G HA3 0.499 2.017 3.960 -4.071 0.000 0.291 316 G C -1.867 172.891 174.900 -0.237 0.000 1.323 316 G CA -0.476 44.295 45.100 -0.549 0.000 1.055 316 G HN -0.020 nan 8.290 nan 0.000 0.520 317 P HA 0.044 nan 4.420 nan 0.000 0.219 317 P C 1.054 178.328 177.300 -0.043 0.000 1.150 317 P CA 0.912 63.991 63.100 -0.036 0.000 0.814 317 P CB 0.484 32.200 31.700 0.028 0.000 0.787 318 E N -0.608 119.560 120.200 -0.053 0.000 2.474 318 E HA 0.076 1.983 4.350 -4.071 0.000 0.195 318 E C -0.080 176.464 176.600 -0.093 0.000 1.039 318 E CA -0.010 56.371 56.400 -0.032 0.000 0.881 318 E CB -0.423 29.304 29.700 0.046 0.000 0.970 318 E HN -0.095 nan 8.360 nan 0.000 0.486 319 K N 1.143 121.428 120.400 -0.191 0.000 3.244 319 K HA -0.166 1.711 4.320 -4.071 0.000 0.270 319 K C -0.908 175.555 176.600 -0.229 0.000 1.016 319 K CA 0.830 56.968 56.287 -0.248 0.000 0.754 319 K CB -1.435 30.967 32.500 -0.163 0.000 1.326 319 K HN 0.314 nan 8.250 nan 0.000 0.465 320 D N -0.685 119.550 120.400 -0.276 0.000 2.599 320 D HA 0.030 2.228 4.640 -4.071 0.000 0.249 320 D C 0.372 176.608 176.300 -0.106 0.000 1.313 320 D CA -0.113 53.813 54.000 -0.124 0.000 0.815 320 D CB 0.036 40.864 40.800 0.045 0.000 1.077 320 D HN 0.618 nan 8.370 nan 0.000 0.492 321 H N -2.219 116.686 119.070 -0.276 0.000 2.966 321 H HA 0.719 2.832 4.556 -4.071 0.000 0.330 321 H C -1.588 173.555 175.328 -0.310 0.000 1.292 321 H CA -1.025 54.865 56.048 -0.263 0.000 1.127 321 H CB 1.347 30.889 29.762 -0.367 0.000 1.863 321 H HN -0.187 nan 8.280 nan 0.000 0.543 322 V N 0.624 120.546 119.914 0.012 0.000 3.113 322 V HA 0.281 1.958 4.120 -4.071 0.000 0.316 322 V C -1.096 175.019 176.094 0.036 0.000 1.125 322 V CA -0.815 61.441 62.300 -0.075 0.000 1.026 322 V CB 1.887 33.687 31.823 -0.038 0.000 1.080 322 V HN 0.594 nan 8.190 nan 0.000 0.444 323 Y N 1.298 121.699 120.300 0.168 0.000 2.387 323 Y HA 0.620 2.728 4.550 -4.070 0.000 0.330 323 Y C -0.020 175.975 175.900 0.158 0.000 1.133 323 Y CA -1.109 57.083 58.100 0.152 0.000 1.152 323 Y CB 1.517 40.054 38.460 0.129 0.000 1.215 323 Y HN 0.365 nan 8.280 nan 0.000 0.466 324 L N 3.519 124.932 121.223 0.318 0.000 2.305 324 L HA 0.469 2.367 4.340 -4.071 0.000 0.284 324 L C -0.886 176.081 176.870 0.162 0.000 1.013 324 L CA -0.644 54.320 54.840 0.206 0.000 0.819 324 L CB 1.409 43.556 42.059 0.147 0.000 1.227 324 L HN 0.662 nan 8.230 nan 0.000 0.417 325 Q N 3.966 123.868 119.800 0.171 0.000 2.290 325 Q HA 0.415 2.313 4.340 -4.071 0.000 0.259 325 Q C -0.287 175.781 176.000 0.112 0.000 0.941 325 Q CA -0.266 55.639 55.803 0.170 0.000 0.912 325 Q CB 1.545 30.434 28.738 0.252 0.000 1.244 325 Q HN 0.768 nan 8.270 nan 0.000 0.441 326 L N 2.602 123.831 121.223 0.011 0.000 3.259 326 L HA 0.135 2.033 4.340 -4.071 0.000 0.292 326 L C 1.113 177.875 176.870 -0.179 0.000 1.219 326 L CA -0.086 54.659 54.840 -0.158 0.000 1.035 326 L CB 0.166 42.179 42.059 -0.077 0.000 1.424 326 L HN 0.769 nan 8.230 nan 0.000 0.603 327 H N 0.842 119.838 119.070 -0.124 0.000 2.387 327 H HA -0.196 1.918 4.556 -4.071 0.000 0.299 327 H C 2.354 177.650 175.328 -0.053 0.000 1.090 327 H CA 2.334 58.349 56.048 -0.054 0.000 1.332 327 H CB 0.164 29.935 29.762 0.015 0.000 1.386 327 H HN 0.443 nan 8.280 nan 0.000 0.516 328 H N -0.669 118.358 119.070 -0.072 0.000 2.495 328 H HA 0.005 2.119 4.556 -4.071 0.000 0.287 328 H C 0.353 175.619 175.328 -0.103 0.000 1.033 328 H CA 0.095 56.075 56.048 -0.113 0.000 1.307 328 H CB -0.338 29.430 29.762 0.010 0.000 1.401 328 H HN 0.206 nan 8.280 nan 0.000 0.555 329 L N 2.585 123.581 121.223 -0.379 0.000 2.436 329 L HA 0.262 2.160 4.340 -4.071 0.000 0.265 329 L C -1.903 174.881 176.870 -0.143 0.000 1.168 329 L CA -2.239 52.480 54.840 -0.201 0.000 0.815 329 L CB 0.174 42.102 42.059 -0.219 0.000 1.109 329 L HN 0.042 nan 8.230 nan 0.000 0.462 330 P HA 0.042 nan 4.420 nan 0.000 0.265 330 P C -1.804 175.454 177.300 -0.070 0.000 1.187 330 P CA -0.710 62.349 63.100 -0.068 0.000 0.766 330 P CB 0.005 31.681 31.700 -0.039 0.000 0.820 331 P HA -0.129 nan 4.420 nan 0.000 0.217 331 P C 0.769 178.046 177.300 -0.039 0.000 1.150 331 P CA 1.612 64.681 63.100 -0.051 0.000 0.832 331 P CB 0.240 31.915 31.700 -0.041 0.000 0.787 332 E N -0.639 119.540 120.200 -0.035 0.000 2.489 332 E HA -0.040 1.867 4.350 -4.071 0.000 0.193 332 E C 2.089 178.669 176.600 -0.034 0.000 1.057 332 E CA -0.018 56.363 56.400 -0.030 0.000 0.866 332 E CB -0.027 29.659 29.700 -0.025 0.000 0.916 332 E HN 0.351 nan 8.360 nan 0.000 0.500 333 Q N 0.407 120.185 119.800 -0.036 0.000 2.269 333 Q HA 0.001 1.899 4.340 -4.071 0.000 0.201 333 Q C 1.291 177.268 176.000 -0.038 0.000 0.946 333 Q CA 0.419 56.201 55.803 -0.036 0.000 0.877 333 Q CB 0.319 29.040 28.738 -0.030 0.000 0.963 333 Q HN 0.271 nan 8.270 nan 0.000 0.472 334 L N 0.318 121.518 121.223 -0.040 0.000 2.777 334 L HA 0.162 2.059 4.340 -4.071 0.000 0.244 334 L C 0.909 177.761 176.870 -0.030 0.000 1.235 334 L CA 0.104 54.923 54.840 -0.035 0.000 1.062 334 L CB 0.113 42.150 42.059 -0.038 0.000 1.340 334 L HN 0.174 nan 8.230 nan 0.000 0.439 335 A N -1.720 121.080 122.820 -0.034 0.000 1.895 335 A HA 0.165 2.043 4.320 -4.071 0.000 0.198 335 A C 1.636 179.195 177.584 -0.042 0.000 1.709 335 A CA 0.144 52.160 52.037 -0.034 0.000 1.194 335 A CB 0.267 19.249 19.000 -0.030 0.000 1.260 335 A HN 0.045 nan 8.150 nan 0.000 0.441 336 V N 0.552 120.436 119.914 -0.051 0.000 2.331 336 V HA -0.045 1.633 4.120 -4.071 0.000 0.242 336 V C 2.530 178.570 176.094 -0.091 0.000 1.034 336 V CA 1.665 63.922 62.300 -0.071 0.000 1.027 336 V CB -0.590 31.185 31.823 -0.080 0.000 0.667 336 V HN 0.377 nan 8.190 nan 0.000 0.457 337 R N -0.279 120.169 120.500 -0.087 0.000 2.090 337 R HA 0.282 2.180 4.340 -4.071 0.000 0.219 337 R C 0.530 176.812 176.300 -0.030 0.000 1.100 337 R CA 0.644 56.692 56.100 -0.086 0.000 0.991 337 R CB -0.055 30.202 30.300 -0.072 0.000 0.893 337 R HN 0.355 nan 8.270 nan 0.000 0.443 338 L N 2.533 123.743 121.223 -0.021 0.000 2.457 338 L HA 0.300 2.198 4.340 -4.071 0.000 0.252 338 L C -1.956 174.905 176.870 -0.016 0.000 1.132 338 L CA -1.253 53.583 54.840 -0.006 0.000 0.938 338 L CB 2.272 44.334 42.059 0.004 0.000 1.246 338 L HN -0.090 nan 8.230 nan 0.000 0.476 339 P HA 0.102 nan 4.420 nan 0.000 0.244 339 P C 1.337 178.623 177.300 -0.024 0.000 1.191 339 P CA 0.327 63.411 63.100 -0.026 0.000 0.829 339 P CB 0.757 32.436 31.700 -0.036 0.000 1.008 340 G N 1.759 110.545 108.800 -0.024 0.000 2.394 340 G HA2 -0.164 1.353 3.960 -4.071 0.000 0.215 340 G HA3 -0.164 1.353 3.960 -4.071 0.000 0.215 340 G C 1.363 176.256 174.900 -0.011 0.000 1.165 340 G CA 0.867 45.952 45.100 -0.027 0.000 0.784 340 G HN 0.339 nan 8.290 nan 0.000 0.535 341 I N -1.001 119.567 120.570 -0.004 0.000 2.761 341 I HA 0.142 1.870 4.170 -4.071 0.000 0.261 341 I C 2.295 178.418 176.117 0.010 0.000 1.198 341 I CA 1.167 62.468 61.300 0.003 0.000 1.482 341 I CB -0.184 37.819 38.000 0.005 0.000 1.100 341 I HN -0.077 nan 8.210 nan 0.000 0.445 342 S N 0.696 116.399 115.700 0.004 0.000 2.423 342 S HA -0.069 1.958 4.470 -4.071 0.000 0.231 342 S C 1.837 176.445 174.600 0.014 0.000 1.014 342 S CA 1.331 59.534 58.200 0.006 0.000 0.965 342 S CB -0.277 62.920 63.200 -0.004 0.000 0.785 342 S HN 0.620 nan 8.310 nan 0.000 0.495 343 E N -0.018 120.191 120.200 0.016 0.000 2.127 343 E HA 0.000 1.908 4.350 -4.071 0.000 0.191 343 E C 2.048 178.685 176.600 0.061 0.000 0.964 343 E CA 0.712 57.128 56.400 0.026 0.000 0.832 343 E CB -0.198 29.509 29.700 0.012 0.000 0.790 343 E HN 0.290 nan 8.360 nan 0.000 0.465 344 T N 0.176 114.772 114.554 0.070 0.000 2.995 344 T HA 0.004 1.911 4.350 -4.071 0.000 0.269 344 T C 1.743 176.540 174.700 0.162 0.000 1.091 344 T CA 1.071 63.251 62.100 0.133 0.000 1.128 344 T CB -0.014 68.888 68.868 0.056 0.000 0.891 344 T HN 0.174 nan 8.240 nan 0.000 0.492 345 A N 0.380 123.256 122.820 0.094 0.000 2.021 345 A HA 0.219 2.096 4.320 -4.071 0.000 0.216 345 A C 2.098 179.739 177.584 0.095 0.000 1.163 345 A CA 1.078 53.171 52.037 0.092 0.000 0.676 345 A CB -0.489 18.545 19.000 0.056 0.000 0.818 345 A HN 0.535 nan 8.150 nan 0.000 0.453 346 M N -0.321 119.324 119.600 0.075 0.000 2.236 346 M HA 0.119 2.156 4.480 -4.071 0.000 0.266 346 M C 1.650 177.978 176.300 0.047 0.000 1.070 346 M CA 1.462 56.792 55.300 0.051 0.000 1.137 346 M CB -0.392 32.227 32.600 0.031 0.000 1.378 346 M HN 0.388 nan 8.290 nan 0.000 0.426 347 I N -1.464 119.148 120.570 0.070 0.000 2.235 347 I HA -0.187 1.541 4.170 -4.071 0.000 0.241 347 I C 1.641 177.718 176.117 -0.065 0.000 1.085 347 I CA 1.084 62.379 61.300 -0.008 0.000 1.378 347 I CB -0.375 37.622 38.000 -0.006 0.000 1.076 347 I HN 0.131 nan 8.210 nan 0.000 0.415 348 F N 0.682 120.635 119.950 0.006 0.000 2.123 348 F HA 0.025 2.110 4.527 -4.070 0.000 0.289 348 F C 2.560 178.371 175.800 0.018 0.000 1.099 348 F CA 1.340 59.344 58.000 0.008 0.000 1.234 348 F CB -0.742 38.259 39.000 0.001 0.000 1.034 348 F HN -0.082 nan 8.300 nan 0.000 0.479 349 A N -0.317 122.637 122.820 0.224 0.000 2.066 349 A HA 0.272 2.150 4.320 -4.071 0.000 0.218 349 A C 1.879 179.522 177.584 0.099 0.000 1.157 349 A CA 1.021 53.145 52.037 0.145 0.000 0.670 349 A CB -1.352 17.722 19.000 0.122 0.000 0.804 349 A HN 0.721 nan 8.150 nan 0.000 0.453 350 G N -1.466 107.380 108.800 0.077 0.000 2.225 350 G HA2 -0.111 1.406 3.960 -4.071 0.000 0.264 350 G HA3 -0.111 1.406 3.960 -4.071 0.000 0.264 350 G C -0.116 174.810 174.900 0.043 0.000 1.060 350 G CA 0.291 45.419 45.100 0.046 0.000 0.833 350 G HN 0.978 nan 8.290 nan 0.000 0.498 351 V N 0.943 120.886 119.914 0.048 0.000 2.531 351 V HA 0.342 2.020 4.120 -4.071 0.000 0.301 351 V C -0.163 175.948 176.094 0.028 0.000 1.034 351 V CA -1.256 61.065 62.300 0.036 0.000 0.865 351 V CB 1.857 33.705 31.823 0.040 0.000 0.995 351 V HN 0.347 nan 8.190 nan 0.000 0.424 352 D N 3.502 123.913 120.400 0.018 0.000 2.383 352 D HA 0.065 2.262 4.640 -4.071 0.000 0.252 352 D C 1.252 177.562 176.300 0.018 0.000 1.166 352 D CA 0.019 54.029 54.000 0.017 0.000 0.879 352 D CB 2.380 43.190 40.800 0.016 0.000 1.164 352 D HN 0.478 nan 8.370 nan 0.000 0.462 353 V N 0.810 120.734 119.914 0.017 0.000 2.809 353 V HA -0.186 1.492 4.120 -4.071 0.000 0.256 353 V C 2.189 178.294 176.094 0.019 0.000 1.080 353 V CA 1.739 64.047 62.300 0.015 0.000 1.102 353 V CB -0.564 31.263 31.823 0.006 0.000 0.705 353 V HN 0.606 nan 8.190 nan 0.000 0.475 354 T N -0.080 114.488 114.554 0.023 0.000 2.732 354 T HA -0.122 1.785 4.350 -4.071 0.000 0.261 354 T C 1.633 176.403 174.700 0.116 0.000 1.040 354 T CA 1.972 64.088 62.100 0.027 0.000 1.145 354 T CB -0.125 68.750 68.868 0.012 0.000 0.866 354 T HN 0.463 nan 8.240 nan 0.000 0.427 355 K N 0.664 121.143 120.400 0.131 0.000 2.438 355 K HA 0.371 2.248 4.320 -4.071 0.000 0.205 355 K C -0.491 176.131 176.600 0.037 0.000 1.033 355 K CA -0.033 56.379 56.287 0.207 0.000 1.089 355 K CB 0.805 33.374 32.500 0.116 0.000 0.857 355 K HN 0.290 nan 8.250 nan 0.000 0.522 356 E N 0.225 120.435 120.200 0.017 0.000 2.308 356 E HA 0.313 2.220 4.350 -4.071 0.000 0.275 356 E C -2.781 173.782 176.600 -0.062 0.000 0.890 356 E CA -2.230 54.129 56.400 -0.068 0.000 0.754 356 E CB 2.048 31.711 29.700 -0.062 0.000 1.207 356 E HN -0.172 nan 8.360 nan 0.000 0.426 357 P HA 0.237 nan 4.420 nan 0.000 0.274 357 P C -0.358 176.892 177.300 -0.084 0.000 1.237 357 P CA -0.417 62.611 63.100 -0.121 0.000 0.793 357 P CB 0.641 32.186 31.700 -0.257 0.000 0.977 358 I N 1.677 122.279 120.570 0.054 0.000 2.377 358 I HA 0.308 2.035 4.170 -4.071 0.000 0.293 358 I C -2.398 173.861 176.117 0.238 0.000 0.987 358 I CA -3.468 57.899 61.300 0.112 0.000 1.185 358 I CB 0.818 38.867 38.000 0.081 0.000 1.341 358 I HN 0.074 nan 8.210 nan 0.000 0.455 359 P HA 0.128 nan 4.420 nan 0.000 0.270 359 P C -0.466 176.838 177.300 0.007 0.000 1.242 359 P CA 0.060 63.159 63.100 -0.001 0.000 0.768 359 P CB 0.522 32.020 31.700 -0.335 0.000 0.820 360 V N 2.561 122.511 119.914 0.060 0.000 2.769 360 V HA 0.818 2.496 4.120 -4.071 0.000 0.312 360 V C -0.804 175.365 176.094 0.124 0.000 1.061 360 V CA -1.188 61.172 62.300 0.101 0.000 0.931 360 V CB 2.107 34.007 31.823 0.129 0.000 1.010 360 V HN 0.303 nan 8.190 nan 0.000 0.433 361 L N 3.807 125.114 121.223 0.140 0.000 2.526 361 L HA 0.778 2.676 4.340 -4.071 0.000 0.263 361 L C -2.985 173.974 176.870 0.147 0.000 0.943 361 L CA -1.563 53.373 54.840 0.159 0.000 0.859 361 L CB 2.564 44.764 42.059 0.235 0.000 1.313 361 L HN 0.506 nan 8.230 nan 0.000 0.406 362 P HA 0.238 nan 4.420 nan 0.000 0.261 362 P C -1.122 176.334 177.300 0.259 0.000 1.203 362 P CA 0.203 63.403 63.100 0.167 0.000 0.767 362 P CB 0.328 32.063 31.700 0.059 0.000 0.785 363 T N -0.526 114.194 114.554 0.276 0.000 2.906 363 T HA 0.412 2.319 4.350 -4.071 0.000 0.295 363 T C -0.211 174.520 174.700 0.051 0.000 1.075 363 T CA -0.947 61.278 62.100 0.209 0.000 1.005 363 T CB 0.665 69.589 68.868 0.093 0.000 1.136 363 T HN -0.063 nan 8.240 nan 0.000 0.498 364 V N 2.566 122.353 119.914 -0.212 0.000 2.540 364 V HA 0.155 1.832 4.120 -4.071 0.000 0.297 364 V C 1.027 176.981 176.094 -0.233 0.000 1.024 364 V CA 0.735 62.700 62.300 -0.558 0.000 1.105 364 V CB -0.104 31.338 31.823 -0.635 0.000 0.938 364 V HN 1.158 nan 8.190 nan 0.000 0.482 365 H N 4.325 123.218 119.070 -0.295 0.000 2.162 365 H HA 0.305 2.418 4.556 -4.072 0.000 0.228 365 H C -0.268 175.020 175.328 -0.067 0.000 0.941 365 H CA 0.067 56.058 56.048 -0.096 0.000 1.213 365 H CB 0.445 30.238 29.762 0.051 0.000 1.318 365 H HN 0.527 nan 8.280 nan 0.000 0.496 366 Y N 1.049 121.292 120.300 -0.095 0.000 2.509 366 Y HA 0.409 2.515 4.550 -4.073 0.000 0.341 366 Y C -1.202 174.555 175.900 -0.239 0.000 1.038 366 Y CA -1.094 56.911 58.100 -0.158 0.000 1.089 366 Y CB 1.511 39.989 38.460 0.030 0.000 1.241 366 Y HN 0.266 nan 8.280 nan 0.000 0.468 367 N N 6.146 124.282 118.700 -0.939 0.000 2.626 367 N HA 0.159 2.456 4.740 -4.071 0.000 0.249 367 N C 0.587 175.741 175.510 -0.593 0.000 1.021 367 N CA -0.431 52.204 53.050 -0.693 0.000 0.886 367 N CB 0.915 38.811 38.487 -0.985 0.000 1.149 367 N HN 0.599 nan 8.380 nan 0.000 0.517 368 M N -0.654 118.891 119.600 -0.091 0.000 2.394 368 M HA 0.123 2.160 4.480 -4.071 0.000 0.264 368 M C 0.903 177.264 176.300 0.100 0.000 1.073 368 M CA 0.631 56.027 55.300 0.160 0.000 1.111 368 M CB -0.996 31.773 32.600 0.281 0.000 1.401 368 M HN 0.260 nan 8.290 nan 0.000 0.448 369 G N -0.008 108.863 108.800 0.118 0.000 2.539 369 G HA2 0.511 2.029 3.960 -4.071 0.000 0.258 369 G HA3 0.511 2.029 3.960 -4.071 0.000 0.258 369 G C 0.167 175.145 174.900 0.130 0.000 1.202 369 G CA 0.149 45.337 45.100 0.147 0.000 0.851 369 G HN 0.602 nan 8.290 nan 0.000 0.556 370 G N -0.517 108.323 108.800 0.066 0.000 2.563 370 G HA2 0.232 1.749 3.960 -4.071 0.000 0.068 370 G HA3 0.232 1.749 3.960 -4.071 0.000 0.068 370 G C -1.006 173.864 174.900 -0.049 0.000 1.001 370 G CA -0.640 44.479 45.100 0.031 0.000 1.188 370 G HN 0.779 nan 8.290 nan 0.000 0.512 371 I N 3.024 123.554 120.570 -0.067 0.000 2.312 371 I HA 0.352 2.080 4.170 -4.071 0.000 0.290 371 I C -2.330 173.719 176.117 -0.114 0.000 1.008 371 I CA -1.891 59.350 61.300 -0.097 0.000 1.226 371 I CB 1.968 39.915 38.000 -0.087 0.000 1.371 371 I HN 0.035 nan 8.210 nan 0.000 0.468 372 P HA -0.026 nan 4.420 nan 0.000 0.261 372 P C -0.624 176.596 177.300 -0.133 0.000 1.173 372 P CA 0.484 63.497 63.100 -0.144 0.000 0.760 372 P CB 0.379 32.003 31.700 -0.128 0.000 0.783 373 T N 3.053 117.520 114.554 -0.144 0.000 2.928 373 T HA 0.219 2.126 4.350 -4.071 0.000 0.296 373 T C -0.389 174.246 174.700 -0.108 0.000 1.000 373 T CA -0.704 61.314 62.100 -0.138 0.000 0.989 373 T CB 0.811 69.581 68.868 -0.163 0.000 1.005 373 T HN 0.341 nan 8.240 nan 0.000 0.442 374 N N 2.147 120.789 118.700 -0.096 0.000 2.530 374 N HA 0.019 2.316 4.740 -4.071 0.000 0.273 374 N C 1.469 176.931 175.510 -0.081 0.000 1.173 374 N CA -0.233 52.781 53.050 -0.061 0.000 0.967 374 N CB 0.681 39.100 38.487 -0.114 0.000 1.109 374 N HN 0.831 nan 8.380 nan 0.000 0.453 375 Y N 3.238 123.514 120.300 -0.040 0.000 2.348 375 Y HA -0.169 1.937 4.550 -4.072 0.000 0.285 375 Y C 1.347 177.173 175.900 -0.123 0.000 1.173 375 Y CA 1.270 59.359 58.100 -0.018 0.000 1.263 375 Y CB -0.235 38.215 38.460 -0.017 0.000 0.974 375 Y HN 0.497 nan 8.280 nan 0.000 0.547 376 K N 0.394 120.353 120.400 -0.736 0.000 2.504 376 K HA 0.158 2.035 4.320 -4.071 0.000 0.195 376 K C 1.578 178.105 176.600 -0.121 0.000 1.036 376 K CA 0.676 56.644 56.287 -0.532 0.000 0.984 376 K CB -0.201 31.993 32.500 -0.510 0.000 0.788 376 K HN 0.681 nan 8.250 nan 0.000 0.488 377 G N 1.125 109.907 108.800 -0.030 0.000 2.179 377 G HA2 -0.263 1.255 3.960 -4.071 0.000 0.220 377 G HA3 -0.263 1.255 3.960 -4.071 0.000 0.220 377 G C -0.262 174.689 174.900 0.084 0.000 0.990 377 G CA -0.391 44.777 45.100 0.115 0.000 0.646 377 G HN 0.325 nan 8.290 nan 0.000 0.517 378 Q N 0.353 120.080 119.800 -0.121 0.000 2.332 378 Q HA 0.485 2.383 4.340 -4.071 0.000 0.263 378 Q C 0.361 176.194 176.000 -0.279 0.000 0.979 378 Q CA -0.282 55.277 55.803 -0.406 0.000 0.885 378 Q CB 2.023 30.534 28.738 -0.377 0.000 1.218 378 Q HN 0.165 nan 8.270 nan 0.000 0.405 379 V N 4.742 124.467 119.914 -0.316 0.000 2.508 379 V HA 0.125 1.802 4.120 -4.071 0.000 0.281 379 V C 0.054 176.051 176.094 -0.161 0.000 1.041 379 V CA -0.017 62.165 62.300 -0.196 0.000 1.016 379 V CB 0.288 32.010 31.823 -0.169 0.000 0.984 379 V HN 0.552 nan 8.190 nan 0.000 0.478 380 L N 6.645 127.801 121.223 -0.112 0.000 2.309 380 L HA 0.681 2.578 4.340 -4.071 0.000 0.282 380 L C 0.357 177.209 176.870 -0.032 0.000 1.036 380 L CA -0.548 54.254 54.840 -0.063 0.000 0.806 380 L CB 1.462 43.502 42.059 -0.033 0.000 1.220 380 L HN 0.739 nan 8.230 nan 0.000 0.429 381 R N -0.093 120.412 120.500 0.008 0.000 2.856 381 R HA 0.502 2.399 4.340 -4.071 0.000 0.258 381 R C -0.863 175.532 176.300 0.159 0.000 1.066 381 R CA -0.903 55.237 56.100 0.067 0.000 1.045 381 R CB 1.033 31.370 30.300 0.061 0.000 1.178 381 R HN 0.428 nan 8.270 nan 0.000 0.499 382 H N 0.599 119.723 119.070 0.089 0.000 2.724 382 H HA 0.364 2.480 4.556 -4.067 0.000 0.278 382 H C -1.279 174.086 175.328 0.062 0.000 1.159 382 H CA -0.469 55.633 56.048 0.089 0.000 1.254 382 H CB 0.773 30.620 29.762 0.141 0.000 1.412 382 H HN 0.349 nan 8.280 nan 0.000 0.488 383 V N 5.672 125.509 119.914 -0.129 0.000 2.398 383 V HA 0.123 1.800 4.120 -4.071 0.000 0.286 383 V C 0.936 176.892 176.094 -0.230 0.000 1.026 383 V CA -0.696 61.524 62.300 -0.135 0.000 0.868 383 V CB 1.116 32.896 31.823 -0.071 0.000 0.982 383 V HN 1.113 nan 8.190 nan 0.000 0.443 384 N N 3.775 122.361 118.700 -0.191 0.000 2.735 384 N HA -0.219 2.079 4.740 -4.071 0.000 0.248 384 N C 0.947 176.320 175.510 -0.227 0.000 1.083 384 N CA 0.550 53.501 53.050 -0.164 0.000 0.703 384 N CB -0.582 37.838 38.487 -0.111 0.000 1.005 384 N HN 1.472 nan 8.380 nan 0.000 0.550 385 G N -0.679 107.881 108.800 -0.399 0.000 2.198 385 G HA2 -0.315 1.203 3.960 -4.071 0.000 0.260 385 G HA3 -0.315 1.203 3.960 -4.071 0.000 0.260 385 G C -0.122 174.541 174.900 -0.396 0.000 1.025 385 G CA 1.135 45.992 45.100 -0.404 0.000 0.769 385 G HN 0.667 nan 8.290 nan 0.000 0.507 386 Q N -1.202 118.282 119.800 -0.527 0.000 2.882 386 Q HA 0.561 2.459 4.340 -4.071 0.000 0.315 386 Q C -1.485 174.476 176.000 -0.065 0.000 1.004 386 Q CA -1.070 54.630 55.803 -0.172 0.000 0.777 386 Q CB 1.178 29.850 28.738 -0.111 0.000 1.506 386 Q HN 0.125 nan 8.270 nan 0.000 0.489 387 D N 1.870 122.293 120.400 0.038 0.000 2.349 387 D HA 0.201 2.398 4.640 -4.071 0.000 0.232 387 D C -1.148 175.165 176.300 0.021 0.000 1.071 387 D CA -0.060 53.987 54.000 0.078 0.000 0.832 387 D CB 1.254 42.111 40.800 0.095 0.000 1.086 387 D HN 0.202 nan 8.370 nan 0.000 0.504 388 Q N 1.562 121.370 119.800 0.013 0.000 2.365 388 Q HA 0.451 2.349 4.340 -4.071 0.000 0.269 388 Q C -1.080 174.903 176.000 -0.027 0.000 1.061 388 Q CA -0.911 54.883 55.803 -0.014 0.000 0.816 388 Q CB 2.391 31.116 28.738 -0.022 0.000 1.325 388 Q HN 0.186 nan 8.270 nan 0.000 0.446 389 V N 3.033 122.916 119.914 -0.052 0.000 2.546 389 V HA 0.207 1.884 4.120 -4.071 0.000 0.284 389 V C 0.018 176.056 176.094 -0.093 0.000 1.050 389 V CA -0.620 61.626 62.300 -0.091 0.000 0.981 389 V CB 1.389 33.142 31.823 -0.118 0.000 0.990 389 V HN 0.548 nan 8.190 nan 0.000 0.474 390 V N 7.472 127.315 119.914 -0.118 0.000 2.405 390 V HA 0.205 1.882 4.120 -4.071 0.000 0.264 390 V C -1.845 174.162 176.094 -0.145 0.000 1.048 390 V CA -1.482 60.753 62.300 -0.108 0.000 0.966 390 V CB 0.692 32.455 31.823 -0.101 0.000 1.015 390 V HN 0.785 nan 8.190 nan 0.000 0.477 391 P HA 0.179 nan 4.420 nan 0.000 0.271 391 P C 0.859 178.112 177.300 -0.078 0.000 1.226 391 P CA 0.874 63.918 63.100 -0.093 0.000 0.765 391 P CB 1.016 32.686 31.700 -0.050 0.000 0.835 392 G N 1.599 110.356 108.800 -0.072 0.000 2.147 392 G HA2 -0.217 1.301 3.960 -4.071 0.000 0.244 392 G HA3 -0.217 1.301 3.960 -4.071 0.000 0.244 392 G C -0.511 174.396 174.900 0.011 0.000 1.005 392 G CA 0.074 45.187 45.100 0.022 0.000 0.713 392 G HN 0.626 nan 8.290 nan 0.000 0.515 393 L N 0.045 121.176 121.223 -0.153 0.000 2.409 393 L HA 0.882 2.780 4.340 -4.071 0.000 0.272 393 L C -0.900 175.780 176.870 -0.316 0.000 0.980 393 L CA -1.883 52.882 54.840 -0.125 0.000 0.826 393 L CB 1.247 43.236 42.059 -0.116 0.000 1.268 393 L HN 0.116 nan 8.230 nan 0.000 0.407 394 Y N 3.012 123.258 120.300 -0.090 0.000 2.605 394 Y HA 0.899 3.007 4.550 -4.070 0.000 0.343 394 Y C -0.103 175.745 175.900 -0.087 0.000 1.036 394 Y CA -0.550 57.494 58.100 -0.093 0.000 1.065 394 Y CB 2.420 40.818 38.460 -0.103 0.000 1.288 394 Y HN 0.729 nan 8.280 nan 0.000 0.481 395 A N 0.794 123.665 122.820 0.085 0.000 2.517 395 A HA 0.792 2.670 4.320 -4.071 0.000 0.297 395 A C -1.333 176.267 177.584 0.026 0.000 1.050 395 A CA -0.680 51.368 52.037 0.020 0.000 0.694 395 A CB 0.411 19.390 19.000 -0.034 0.000 1.277 395 A HN 1.095 nan 8.150 nan 0.000 0.400 396 C N 0.318 119.636 119.300 0.029 0.000 2.888 396 C HA 1.038 3.055 4.460 -4.071 0.000 0.308 396 C C 0.831 175.863 174.990 0.069 0.000 1.213 396 C CA 0.141 59.199 59.018 0.067 0.000 1.461 396 C CB 0.853 28.661 27.740 0.113 0.000 1.934 396 C HN 2.989 nan 8.230 nan 0.000 0.474 397 G N 1.646 110.515 108.800 0.114 0.000 2.481 397 G HA2 -0.195 1.322 3.960 -4.071 0.000 0.230 397 G HA3 -0.195 1.322 3.960 -4.071 0.000 0.230 397 G C 0.454 175.426 174.900 0.120 0.000 1.210 397 G CA 0.713 45.900 45.100 0.145 0.000 0.936 397 G HN 1.180 nan 8.290 nan 0.000 0.583 398 E N 0.302 120.549 120.200 0.079 0.000 2.216 398 E HA 0.209 2.117 4.350 -4.071 0.000 0.192 398 E C 2.815 179.354 176.600 -0.102 0.000 0.988 398 E CA 1.580 57.946 56.400 -0.056 0.000 0.834 398 E CB -0.342 29.247 29.700 -0.185 0.000 0.772 398 E HN 0.921 nan 8.360 nan 0.000 0.479 399 A N 1.384 124.173 122.820 -0.052 0.000 1.933 399 A HA 0.036 1.914 4.320 -4.071 0.000 0.218 399 A C 1.478 179.042 177.584 -0.034 0.000 1.175 399 A CA 1.174 53.188 52.037 -0.039 0.000 0.628 399 A CB -0.633 18.345 19.000 -0.036 0.000 0.814 399 A HN 0.372 nan 8.150 nan 0.000 0.444 400 A N -1.839 120.960 122.820 -0.036 0.000 2.310 400 A HA 0.400 2.278 4.320 -4.071 0.000 0.260 400 A C 0.280 177.824 177.584 -0.067 0.000 1.112 400 A CA 0.518 52.518 52.037 -0.062 0.000 0.804 400 A CB 0.033 18.983 19.000 -0.084 0.000 1.081 400 A HN 1.052 nan 8.150 nan 0.000 0.499 401 C N 0.584 119.820 119.300 -0.107 0.000 3.452 401 C HA 0.589 2.607 4.460 -4.071 0.000 0.251 401 C C 1.165 176.040 174.990 -0.191 0.000 1.160 401 C CA -0.102 58.846 59.018 -0.118 0.000 1.328 401 C CB -0.718 26.963 27.740 -0.098 0.000 1.819 401 C HN 1.048 nan 8.230 nan 0.000 0.543 402 A N 1.759 124.428 122.820 -0.252 0.000 2.206 402 A HA 0.263 2.141 4.320 -4.071 0.000 0.211 402 A C 1.330 178.789 177.584 -0.209 0.000 1.158 402 A CA 1.075 52.947 52.037 -0.275 0.000 0.761 402 A CB -0.323 18.382 19.000 -0.492 0.000 0.801 402 A HN 1.545 nan 8.150 nan 0.000 0.473 403 S N -1.640 113.948 115.700 -0.186 0.000 3.608 403 S HA -0.143 1.885 4.470 -4.071 0.000 0.382 403 S C 0.752 175.293 174.600 -0.098 0.000 0.945 403 S CA 0.569 58.707 58.200 -0.103 0.000 1.256 403 S CB -1.691 61.462 63.200 -0.078 0.000 0.913 403 S HN 0.807 nan 8.310 nan 0.000 0.518 404 V N 0.859 120.637 119.914 -0.226 0.000 3.306 404 V HA -0.035 1.643 4.120 -4.071 0.000 0.264 404 V C 1.692 177.572 176.094 -0.356 0.000 1.149 404 V CA 1.388 63.533 62.300 -0.259 0.000 1.143 404 V CB -0.138 31.529 31.823 -0.260 0.000 0.767 404 V HN 0.814 nan 8.190 nan 0.000 0.476 405 H N -0.950 118.118 119.070 -0.004 0.000 2.615 405 H HA 0.353 2.465 4.556 -4.073 0.000 0.275 405 H C 1.784 177.078 175.328 -0.056 0.000 0.981 405 H CA 0.787 56.824 56.048 -0.019 0.000 1.252 405 H CB 0.348 30.141 29.762 0.052 0.000 1.447 405 H HN 0.436 nan 8.280 nan 0.000 0.498 406 G N 1.434 110.257 108.800 0.038 0.000 2.677 406 G HA2 -0.439 1.079 3.960 -4.071 0.000 0.321 406 G HA3 -0.439 1.079 3.960 -4.071 0.000 0.321 406 G C 1.406 176.154 174.900 -0.253 0.000 1.181 406 G CA 1.772 46.832 45.100 -0.066 0.000 0.965 406 G HN 0.632 nan 8.290 nan 0.000 0.548 407 A N 0.178 122.843 122.820 -0.257 0.000 2.115 407 A HA 0.486 2.364 4.320 -4.071 0.000 0.211 407 A C 0.933 178.543 177.584 0.044 0.000 1.169 407 A CA 1.603 53.450 52.037 -0.317 0.000 0.787 407 A CB 0.010 18.943 19.000 -0.111 0.000 0.858 407 A HN 1.196 nan 8.150 nan 0.000 0.474 408 N N -0.120 118.600 118.700 0.033 0.000 2.503 408 N HA 0.139 2.437 4.740 -4.071 0.000 0.287 408 N C -1.126 174.399 175.510 0.025 0.000 1.096 408 N CA -0.497 52.587 53.050 0.056 0.000 0.936 408 N CB 1.352 39.862 38.487 0.037 0.000 1.570 408 N HN 0.308 nan 8.380 nan 0.000 0.504 409 R N 3.264 123.764 120.500 -0.001 0.000 2.590 409 R HA 0.176 2.074 4.340 -4.071 0.000 0.274 409 R C -0.233 176.021 176.300 -0.077 0.000 1.061 409 R CA -0.218 55.832 56.100 -0.084 0.000 1.081 409 R CB 0.623 30.584 30.300 -0.566 0.000 0.984 409 R HN 0.492 nan 8.270 nan 0.000 0.448 410 L N 2.494 123.714 121.223 -0.005 0.000 2.490 410 L HA 0.337 2.234 4.340 -4.071 0.000 0.245 410 L C 0.435 177.319 176.870 0.023 0.000 1.185 410 L CA 0.443 55.281 54.840 -0.002 0.000 0.813 410 L CB 0.716 42.802 42.059 0.045 0.000 1.233 410 L HN 0.829 nan 8.230 nan 0.000 0.489 411 G N 1.380 110.241 108.800 0.103 0.000 2.346 411 G HA2 0.408 1.926 3.960 -4.071 0.000 0.275 411 G HA3 0.408 1.926 3.960 -4.071 0.000 0.275 411 G C 0.464 175.426 174.900 0.105 0.000 1.190 411 G CA 0.256 45.541 45.100 0.307 0.000 1.015 411 G HN 1.429 nan 8.290 nan 0.000 0.441 412 A N 2.573 125.391 122.820 -0.003 0.000 2.739 412 A HA -0.177 1.700 4.320 -4.071 0.000 0.296 412 A C 1.415 178.956 177.584 -0.071 0.000 1.488 412 A CA 0.947 52.858 52.037 -0.209 0.000 0.746 412 A CB -1.681 16.863 19.000 -0.760 0.000 1.047 412 A HN 0.650 nan 8.150 nan 0.000 0.477 413 N N -0.668 118.042 118.700 0.017 0.000 2.254 413 N HA 0.112 2.410 4.740 -4.071 0.000 0.190 413 N C 1.695 177.324 175.510 0.199 0.000 1.107 413 N CA 1.002 54.135 53.050 0.139 0.000 0.869 413 N CB 0.292 38.906 38.487 0.211 0.000 0.983 413 N HN 0.624 nan 8.380 nan 0.000 0.487 414 S N 0.204 115.939 115.700 0.059 0.000 2.387 414 S HA 0.146 2.174 4.470 -4.071 0.000 0.226 414 S C 1.685 176.397 174.600 0.187 0.000 1.026 414 S CA 0.525 58.794 58.200 0.114 0.000 0.972 414 S CB -0.040 63.153 63.200 -0.012 0.000 0.814 414 S HN 0.227 nan 8.310 nan 0.000 0.477 415 L N 0.938 122.240 121.223 0.131 0.000 2.275 415 L HA -0.016 1.882 4.340 -4.071 0.000 0.215 415 L C 2.260 179.218 176.870 0.148 0.000 1.119 415 L CA 0.469 55.389 54.840 0.133 0.000 0.790 415 L CB -0.353 41.765 42.059 0.098 0.000 0.919 415 L HN 0.355 nan 8.230 nan 0.000 0.443 416 L N -0.137 121.178 121.223 0.154 0.000 2.131 416 L HA -0.141 1.757 4.340 -4.071 0.000 0.206 416 L C 2.117 179.114 176.870 0.212 0.000 1.087 416 L CA 1.619 56.554 54.840 0.159 0.000 0.767 416 L CB -0.564 41.593 42.059 0.165 0.000 0.917 416 L HN 0.142 nan 8.230 nan 0.000 0.441 417 D N -0.477 120.106 120.400 0.305 0.000 2.116 417 D HA -0.201 1.997 4.640 -4.071 0.000 0.193 417 D C 2.033 178.582 176.300 0.415 0.000 0.998 417 D CA 1.474 55.748 54.000 0.456 0.000 0.836 417 D CB 0.104 41.199 40.800 0.492 0.000 0.951 417 D HN 0.196 nan 8.370 nan 0.000 0.449 418 L N 0.396 121.788 121.223 0.282 0.000 1.988 418 L HA -0.107 1.790 4.340 -4.071 0.000 0.207 418 L C 2.838 179.824 176.870 0.192 0.000 1.071 418 L CA 0.865 55.839 54.840 0.224 0.000 0.744 418 L CB -1.620 40.545 42.059 0.177 0.000 0.893 418 L HN 0.024 nan 8.230 nan 0.000 0.433 419 V N -0.895 119.117 119.914 0.164 0.000 2.407 419 V HA -0.200 1.478 4.120 -4.071 0.000 0.248 419 V C 2.556 178.697 176.094 0.078 0.000 1.055 419 V CA 1.078 63.460 62.300 0.137 0.000 1.049 419 V CB -0.430 31.478 31.823 0.141 0.000 0.662 419 V HN 0.220 nan 8.190 nan 0.000 0.455 420 V N -1.174 118.757 119.914 0.029 0.000 2.379 420 V HA -0.068 1.610 4.120 -4.071 0.000 0.243 420 V C 2.014 178.030 176.094 -0.131 0.000 1.035 420 V CA 1.784 64.007 62.300 -0.129 0.000 1.035 420 V CB -0.531 31.107 31.823 -0.309 0.000 0.673 420 V HN 0.468 nan 8.190 nan 0.000 0.457 421 F N 0.882 120.921 119.950 0.149 0.000 2.664 421 F HA 0.201 2.287 4.527 -4.068 0.000 0.296 421 F C 2.255 178.087 175.800 0.052 0.000 1.125 421 F CA 0.846 58.913 58.000 0.112 0.000 1.444 421 F CB -0.520 38.537 39.000 0.094 0.000 1.114 421 F HN 0.199 nan 8.300 nan 0.000 0.576 422 G N -0.053 108.857 108.800 0.183 0.000 2.421 422 G HA2 -0.185 1.333 3.960 -4.071 0.000 0.217 422 G HA3 -0.185 1.333 3.960 -4.071 0.000 0.217 422 G C 1.731 176.632 174.900 0.000 0.000 1.143 422 G CA 0.226 45.373 45.100 0.078 0.000 0.784 422 G HN 0.220 nan 8.290 nan 0.000 0.541 423 R N 0.426 120.933 120.500 0.013 0.000 2.075 423 R HA 0.073 1.970 4.340 -4.071 0.000 0.232 423 R C 2.795 179.080 176.300 -0.026 0.000 1.126 423 R CA 1.346 57.426 56.100 -0.033 0.000 0.963 423 R CB -0.295 29.997 30.300 -0.013 0.000 0.858 423 R HN 0.263 nan 8.270 nan 0.000 0.435 424 A N 0.222 123.066 122.820 0.039 0.000 1.930 424 A HA -0.151 1.727 4.320 -4.071 0.000 0.217 424 A C 2.400 179.942 177.584 -0.069 0.000 1.175 424 A CA 1.423 53.474 52.037 0.024 0.000 0.627 424 A CB -0.807 18.208 19.000 0.025 0.000 0.815 424 A HN 0.569 nan 8.150 nan 0.000 0.443 425 C N -1.051 118.198 119.300 -0.086 0.000 2.425 425 C HA 0.059 2.076 4.460 -4.071 0.000 0.277 425 C C 3.286 178.018 174.990 -0.429 0.000 1.280 425 C CA 0.777 59.635 59.018 -0.268 0.000 1.744 425 C CB -1.284 26.332 27.740 -0.206 0.000 1.989 425 C HN 0.702 nan 8.230 nan 0.000 0.491 426 A N 0.215 122.856 122.820 -0.300 0.000 1.873 426 A HA -0.054 1.823 4.320 -4.071 0.000 0.215 426 A C 2.080 179.507 177.584 -0.262 0.000 1.186 426 A CA 1.304 53.148 52.037 -0.321 0.000 0.616 426 A CB -0.596 18.240 19.000 -0.273 0.000 0.823 426 A HN 0.572 nan 8.150 nan 0.000 0.442 427 L N -0.209 120.914 121.223 -0.167 0.000 2.141 427 L HA -0.122 1.776 4.340 -4.071 0.000 0.209 427 L C 2.551 179.362 176.870 -0.099 0.000 1.094 427 L CA 1.334 56.117 54.840 -0.095 0.000 0.763 427 L CB -0.198 41.841 42.059 -0.034 0.000 0.908 427 L HN 0.299 nan 8.230 nan 0.000 0.437 428 S N -0.554 115.060 115.700 -0.143 0.000 2.489 428 S HA 0.065 2.092 4.470 -4.071 0.000 0.228 428 S C 1.845 176.376 174.600 -0.116 0.000 0.995 428 S CA 0.648 58.792 58.200 -0.093 0.000 0.934 428 S CB 0.035 63.230 63.200 -0.008 0.000 0.771 428 S HN 0.300 nan 8.310 nan 0.000 0.522 429 I N 1.244 121.631 120.570 -0.305 0.000 2.494 429 I HA 0.014 1.741 4.170 -4.071 0.000 0.250 429 I C 2.508 178.504 176.117 -0.202 0.000 1.112 429 I CA 0.695 61.783 61.300 -0.354 0.000 1.438 429 I CB -0.288 37.298 38.000 -0.689 0.000 1.111 429 I HN 0.236 nan 8.210 nan 0.000 0.431 430 A N 0.163 122.902 122.820 -0.136 0.000 2.121 430 A HA -0.146 1.731 4.320 -4.071 0.000 0.218 430 A C 2.062 179.718 177.584 0.121 0.000 1.154 430 A CA 1.420 53.556 52.037 0.164 0.000 0.679 430 A CB -0.392 18.707 19.000 0.166 0.000 0.795 430 A HN 0.443 nan 8.150 nan 0.000 0.458 431 E N -0.576 119.649 120.200 0.042 0.000 2.364 431 E HA -0.045 1.863 4.350 -4.071 0.000 0.196 431 E C 2.162 178.787 176.600 0.042 0.000 0.990 431 E CA 0.748 57.171 56.400 0.038 0.000 0.886 431 E CB 0.181 29.891 29.700 0.016 0.000 0.866 431 E HN 0.756 nan 8.360 nan 0.000 0.493 432 S N 0.072 115.796 115.700 0.041 0.000 2.387 432 S HA -0.005 2.023 4.470 -4.071 0.000 0.221 432 S C 1.265 175.904 174.600 0.065 0.000 1.041 432 S CA 0.217 58.444 58.200 0.045 0.000 0.959 432 S CB -0.279 62.950 63.200 0.047 0.000 0.843 432 S HN 0.361 nan 8.310 nan 0.000 0.488 433 C N 0.833 120.193 119.300 0.100 0.000 2.973 433 C HA 0.881 2.899 4.460 -4.071 0.000 0.329 433 C C -0.481 174.656 174.990 0.246 0.000 1.327 433 C CA -1.275 57.827 59.018 0.140 0.000 1.632 433 C CB 1.370 29.188 27.740 0.131 0.000 2.098 433 C HN 0.394 nan 8.230 nan 0.000 0.469 434 R N 0.455 121.067 120.500 0.188 0.000 2.787 434 R HA 0.641 2.538 4.340 -4.071 0.000 0.271 434 R C -2.941 173.354 176.300 -0.010 0.000 0.993 434 R CA -1.725 54.416 56.100 0.068 0.000 0.993 434 R CB 0.999 31.293 30.300 -0.011 0.000 1.155 434 R HN 0.532 nan 8.270 nan 0.000 0.486 435 P HA 0.128 nan 4.420 nan 0.000 0.275 435 P C 0.502 177.714 177.300 -0.146 0.000 1.227 435 P CA 0.380 63.217 63.100 -0.437 0.000 0.781 435 P CB 0.590 31.845 31.700 -0.743 0.000 0.906 436 G N 1.161 109.938 108.800 -0.039 0.000 2.159 436 G HA2 -0.215 1.302 3.960 -4.071 0.000 0.256 436 G HA3 -0.215 1.302 3.960 -4.071 0.000 0.256 436 G C 0.238 175.142 174.900 0.005 0.000 0.977 436 G CA -0.086 45.004 45.100 -0.017 0.000 0.652 436 G HN 0.592 nan 8.290 nan 0.000 0.531 437 D N 0.373 120.791 120.400 0.031 0.000 2.360 437 D HA 0.243 2.440 4.640 -4.071 0.000 0.242 437 D C 0.826 177.150 176.300 0.041 0.000 1.184 437 D CA -0.325 53.699 54.000 0.040 0.000 0.930 437 D CB 0.463 41.303 40.800 0.066 0.000 1.161 437 D HN 0.185 nan 8.370 nan 0.000 0.447 438 K N 1.844 122.263 120.400 0.032 0.000 2.319 438 K HA 0.030 1.908 4.320 -4.071 0.000 0.277 438 K C -0.872 175.750 176.600 0.036 0.000 1.111 438 K CA -0.157 56.147 56.287 0.028 0.000 1.093 438 K CB -0.161 32.351 32.500 0.021 0.000 0.910 438 K HN 0.166 nan 8.250 nan 0.000 0.452 439 V N 8.187 128.124 119.914 0.038 0.000 2.415 439 V HA 0.080 1.757 4.120 -4.071 0.000 0.267 439 V C -1.938 174.176 176.094 0.033 0.000 1.042 439 V CA -1.504 60.822 62.300 0.045 0.000 1.000 439 V CB 0.498 32.352 31.823 0.050 0.000 1.015 439 V HN 0.736 nan 8.190 nan 0.000 0.478 440 P HA 0.147 nan 4.420 nan 0.000 0.267 440 P C -0.214 177.099 177.300 0.021 0.000 1.205 440 P CA 0.011 63.125 63.100 0.023 0.000 0.765 440 P CB 0.441 32.153 31.700 0.020 0.000 0.828 441 S N 3.230 118.939 115.700 0.016 0.000 2.513 441 S HA 0.420 2.447 4.470 -4.071 0.000 0.276 441 S C 0.114 174.721 174.600 0.012 0.000 1.254 441 S CA -0.720 57.489 58.200 0.015 0.000 1.053 441 S CB 0.342 63.548 63.200 0.011 0.000 0.958 441 S HN 0.303 nan 8.310 nan 0.000 0.491 442 I N 2.035 122.613 120.570 0.013 0.000 2.886 442 I HA 0.293 2.021 4.170 -4.071 0.000 0.299 442 I C 0.300 176.421 176.117 0.008 0.000 1.044 442 I CA -0.567 60.739 61.300 0.010 0.000 1.310 442 I CB 0.707 38.715 38.000 0.012 0.000 1.441 442 I HN 0.719 nan 8.210 nan 0.000 0.578 443 K N 5.763 126.166 120.400 0.005 0.000 2.414 443 K HA 0.133 2.011 4.320 -4.071 0.000 0.272 443 K C -1.901 174.702 176.600 0.005 0.000 0.993 443 K CA -0.887 55.403 56.287 0.004 0.000 0.964 443 K CB -0.264 32.237 32.500 0.003 0.000 0.925 443 K HN 0.386 nan 8.250 nan 0.000 0.487 444 P HA -0.074 nan 4.420 nan 0.000 0.239 444 P C -0.012 177.292 177.300 0.006 0.000 1.184 444 P CA 0.964 64.067 63.100 0.005 0.000 0.760 444 P CB 0.271 31.973 31.700 0.004 0.000 0.884 445 N N -1.046 117.657 118.700 0.005 0.000 2.460 445 N HA 0.100 2.397 4.740 -4.071 0.000 0.193 445 N C 0.667 176.180 175.510 0.003 0.000 1.080 445 N CA 0.062 53.115 53.050 0.005 0.000 0.869 445 N CB -0.119 38.371 38.487 0.005 0.000 1.201 445 N HN -0.034 nan 8.380 nan 0.000 0.457 446 A N 0.407 123.228 122.820 0.002 0.000 2.565 446 A HA 0.384 2.262 4.320 -4.071 0.000 0.237 446 A C 1.352 178.935 177.584 -0.002 0.000 1.053 446 A CA 1.167 53.204 52.037 0.000 0.000 0.755 446 A CB -0.408 18.592 19.000 0.001 0.000 0.980 446 A HN 0.524 nan 8.150 nan 0.000 0.506 447 G N 1.210 110.007 108.800 -0.006 0.000 2.176 447 G HA2 -0.237 1.281 3.960 -4.071 0.000 0.232 447 G HA3 -0.237 1.281 3.960 -4.071 0.000 0.232 447 G C 0.745 175.634 174.900 -0.018 0.000 0.986 447 G CA 0.768 45.861 45.100 -0.012 0.000 0.643 447 G HN 0.891 nan 8.290 nan 0.000 0.522 448 E N 0.224 120.418 120.200 -0.011 0.000 2.106 448 E HA -0.070 1.838 4.350 -4.071 0.000 0.192 448 E C 2.069 178.660 176.600 -0.015 0.000 0.984 448 E CA 1.215 57.610 56.400 -0.009 0.000 0.806 448 E CB -0.076 29.625 29.700 0.002 0.000 0.750 448 E HN 0.697 nan 8.360 nan 0.000 0.458 449 E N -0.302 119.889 120.200 -0.014 0.000 2.358 449 E HA -0.059 1.848 4.350 -4.071 0.000 0.195 449 E C 1.976 178.560 176.600 -0.028 0.000 1.010 449 E CA 0.476 56.867 56.400 -0.016 0.000 0.856 449 E CB 0.258 29.953 29.700 -0.009 0.000 0.795 449 E HN 0.139 nan 8.360 nan 0.000 0.504 450 S N 0.422 116.102 115.700 -0.034 0.000 2.387 450 S HA -0.083 1.944 4.470 -4.071 0.000 0.226 450 S C 2.205 176.753 174.600 -0.086 0.000 1.026 450 S CA 0.592 58.764 58.200 -0.046 0.000 0.972 450 S CB 0.026 63.204 63.200 -0.037 0.000 0.814 450 S HN 0.058 nan 8.310 nan 0.000 0.477 451 V N 2.075 121.927 119.914 -0.104 0.000 2.453 451 V HA -0.093 1.585 4.120 -4.071 0.000 0.247 451 V C 2.223 178.237 176.094 -0.132 0.000 1.048 451 V CA 1.474 63.663 62.300 -0.184 0.000 1.049 451 V CB -0.612 31.114 31.823 -0.163 0.000 0.672 451 V HN 0.458 nan 8.190 nan 0.000 0.457 452 M N 0.122 119.689 119.600 -0.055 0.000 2.175 452 M HA -0.147 1.891 4.480 -4.071 0.000 0.264 452 M C 2.262 178.545 176.300 -0.030 0.000 1.063 452 M CA 1.591 56.882 55.300 -0.014 0.000 1.119 452 M CB -0.627 31.976 32.600 0.004 0.000 1.377 452 M HN 0.495 nan 8.290 nan 0.000 0.415 453 N N 0.951 119.622 118.700 -0.049 0.000 2.166 453 N HA -0.166 2.132 4.740 -4.071 0.000 0.186 453 N C 1.808 177.266 175.510 -0.087 0.000 1.019 453 N CA 0.895 53.911 53.050 -0.058 0.000 0.856 453 N CB 0.082 38.539 38.487 -0.050 0.000 0.993 453 N HN 0.279 nan 8.380 nan 0.000 0.426 454 L N 1.556 122.706 121.223 -0.121 0.000 2.056 454 L HA -0.135 1.763 4.340 -4.071 0.000 0.207 454 L C 1.724 178.491 176.870 -0.171 0.000 1.078 454 L CA 1.890 56.626 54.840 -0.173 0.000 0.749 454 L CB -1.245 40.662 42.059 -0.254 0.000 0.901 454 L HN 0.160 nan 8.230 nan 0.000 0.433 455 D N -0.235 120.095 120.400 -0.116 0.000 2.234 455 D HA -0.131 2.067 4.640 -4.071 0.000 0.205 455 D C 2.126 178.392 176.300 -0.058 0.000 0.962 455 D CA 0.763 54.736 54.000 -0.045 0.000 0.855 455 D CB 0.321 41.210 40.800 0.148 0.000 0.951 455 D HN 0.306 nan 8.370 nan 0.000 0.500 456 K N -0.362 120.027 120.400 -0.018 0.000 2.155 456 K HA -0.062 1.816 4.320 -4.071 0.000 0.203 456 K C 1.807 178.380 176.600 -0.044 0.000 1.052 456 K CA 0.418 56.714 56.287 0.015 0.000 0.948 456 K CB 0.178 32.677 32.500 -0.002 0.000 0.728 456 K HN 0.083 nan 8.250 nan 0.000 0.448 457 L N 0.853 122.012 121.223 -0.107 0.000 2.313 457 L HA -0.019 1.879 4.340 -4.071 0.000 0.214 457 L C 2.200 178.953 176.870 -0.194 0.000 1.119 457 L CA 1.126 55.889 54.840 -0.128 0.000 0.809 457 L CB -0.361 41.620 42.059 -0.130 0.000 0.933 457 L HN 0.060 nan 8.230 nan 0.000 0.449 458 R N -0.015 120.282 120.500 -0.339 0.000 2.081 458 R HA -0.104 1.793 4.340 -4.071 0.000 0.235 458 R C 0.576 176.509 176.300 -0.612 0.000 1.131 458 R CA 1.374 57.133 56.100 -0.569 0.000 0.960 458 R CB -0.165 29.608 30.300 -0.878 0.000 0.856 458 R HN 0.361 nan 8.270 nan 0.000 0.436 459 F N 0.024 119.961 119.950 -0.021 0.000 2.928 459 F HA 0.446 2.531 4.527 -4.071 0.000 0.337 459 F C 0.253 176.014 175.800 -0.064 0.000 1.259 459 F CA -0.736 57.238 58.000 -0.043 0.000 1.267 459 F CB 0.192 39.171 39.000 -0.034 0.000 0.986 459 F HN -0.160 nan 8.300 nan 0.000 0.507 460 A N 1.463 124.288 122.820 0.009 0.000 2.496 460 A HA 0.146 2.023 4.320 -4.071 0.000 0.278 460 A C -0.052 177.503 177.584 -0.047 0.000 1.137 460 A CA 0.113 52.138 52.037 -0.021 0.000 0.805 460 A CB -0.490 18.478 19.000 -0.054 0.000 1.077 460 A HN 0.646 nan 8.150 nan 0.000 0.513 461 N N 1.471 120.153 118.700 -0.030 0.000 2.372 461 N HA 0.684 2.981 4.740 -4.071 0.000 0.291 461 N C 0.176 175.671 175.510 -0.026 0.000 1.024 461 N CA 0.498 53.515 53.050 -0.055 0.000 0.873 461 N CB 1.432 39.896 38.487 -0.038 0.000 1.206 461 N HN 0.880 nan 8.380 nan 0.000 0.486 462 G N 0.172 108.958 108.800 -0.024 0.000 2.348 462 G HA2 0.073 1.591 3.960 -4.071 0.000 0.296 462 G HA3 0.073 1.591 3.960 -4.071 0.000 0.296 462 G C -0.123 174.797 174.900 0.033 0.000 1.258 462 G CA -0.299 44.822 45.100 0.035 0.000 0.868 462 G HN 0.412 nan 8.290 nan 0.000 0.488 463 T N 0.095 114.685 114.554 0.060 0.000 2.980 463 T HA 0.259 2.166 4.350 -4.071 0.000 0.239 463 T C 1.213 175.948 174.700 0.057 0.000 1.011 463 T CA 0.572 62.698 62.100 0.044 0.000 1.171 463 T CB -0.117 68.758 68.868 0.013 0.000 0.873 463 T HN 0.329 nan 8.240 nan 0.000 0.431 464 I N 2.481 123.088 120.570 0.063 0.000 2.452 464 I HA 0.213 1.940 4.170 -4.071 0.000 0.287 464 I C 0.669 176.830 176.117 0.074 0.000 1.079 464 I CA -0.427 60.911 61.300 0.063 0.000 1.387 464 I CB 0.536 38.571 38.000 0.059 0.000 1.404 464 I HN 0.004 nan 8.210 nan 0.000 0.522 465 R N 3.598 124.151 120.500 0.088 0.000 2.694 465 R HA 0.078 1.976 4.340 -4.071 0.000 0.268 465 R C 1.124 177.473 176.300 0.082 0.000 1.061 465 R CA 0.057 56.225 56.100 0.112 0.000 1.133 465 R CB 0.787 31.163 30.300 0.126 0.000 1.020 465 R HN 0.678 nan 8.270 nan 0.000 0.475 466 T N 0.460 115.064 114.554 0.083 0.000 2.746 466 T HA -0.191 1.717 4.350 -4.071 0.000 0.267 466 T C 1.771 176.503 174.700 0.054 0.000 1.039 466 T CA 1.989 64.121 62.100 0.053 0.000 1.142 466 T CB -0.134 68.760 68.868 0.043 0.000 0.866 466 T HN 0.780 nan 8.240 nan 0.000 0.444 467 S N 1.238 116.976 115.700 0.063 0.000 2.402 467 S HA -0.025 2.003 4.470 -4.071 0.000 0.229 467 S C 1.947 176.586 174.600 0.065 0.000 1.021 467 S CA 0.653 58.889 58.200 0.059 0.000 0.974 467 S CB -0.257 62.973 63.200 0.049 0.000 0.800 467 S HN 0.357 nan 8.310 nan 0.000 0.484 468 E N 0.778 121.016 120.200 0.064 0.000 2.107 468 E HA 0.003 1.911 4.350 -4.071 0.000 0.191 468 E C 1.909 178.546 176.600 0.060 0.000 0.982 468 E CA 0.617 57.053 56.400 0.061 0.000 0.809 468 E CB -0.196 29.539 29.700 0.058 0.000 0.756 468 E HN 0.477 nan 8.360 nan 0.000 0.459 469 L N 1.284 122.541 121.223 0.057 0.000 2.093 469 L HA -0.098 1.800 4.340 -4.071 0.000 0.208 469 L C 2.549 179.455 176.870 0.060 0.000 1.085 469 L CA 1.365 56.237 54.840 0.054 0.000 0.755 469 L CB -0.340 41.745 42.059 0.043 0.000 0.904 469 L HN -0.035 nan 8.230 nan 0.000 0.435 470 R N -0.804 119.735 120.500 0.066 0.000 2.081 470 R HA -0.174 1.723 4.340 -4.071 0.000 0.235 470 R C 2.168 178.528 176.300 0.101 0.000 1.131 470 R CA 1.749 57.896 56.100 0.080 0.000 0.960 470 R CB -0.442 29.908 30.300 0.083 0.000 0.856 470 R HN 0.351 nan 8.270 nan 0.000 0.436 471 L N 0.615 121.901 121.223 0.104 0.000 2.291 471 L HA -0.003 1.895 4.340 -4.071 0.000 0.214 471 L C 1.854 178.777 176.870 0.087 0.000 1.120 471 L CA 1.500 56.415 54.840 0.125 0.000 0.799 471 L CB -0.038 42.090 42.059 0.115 0.000 0.925 471 L HN 0.041 nan 8.230 nan 0.000 0.446 472 S N -1.306 114.435 115.700 0.068 0.000 2.470 472 S HA -0.026 2.002 4.470 -4.071 0.000 0.225 472 S C 1.761 176.395 174.600 0.056 0.000 1.006 472 S CA 0.936 59.167 58.200 0.052 0.000 0.934 472 S CB -0.071 63.157 63.200 0.048 0.000 0.778 472 S HN 0.498 nan 8.310 nan 0.000 0.517 473 M N 1.053 120.691 119.600 0.063 0.000 2.325 473 M HA 0.014 2.052 4.480 -4.071 0.000 0.265 473 M C 1.974 178.299 176.300 0.041 0.000 1.094 473 M CA 1.122 56.453 55.300 0.052 0.000 1.161 473 M CB -0.122 32.510 32.600 0.054 0.000 1.358 473 M HN 0.191 nan 8.290 nan 0.000 0.446 474 Q N 0.389 120.241 119.800 0.086 0.000 2.084 474 Q HA -0.185 1.713 4.340 -4.071 0.000 0.202 474 Q C 1.817 177.898 176.000 0.136 0.000 0.978 474 Q CA 1.575 57.461 55.803 0.139 0.000 0.844 474 Q CB -0.016 28.887 28.738 0.276 0.000 0.898 474 Q HN 0.514 nan 8.270 nan 0.000 0.426 475 K N -0.260 120.184 120.400 0.074 0.000 2.296 475 K HA 0.016 1.893 4.320 -4.071 0.000 0.200 475 K C 2.081 178.693 176.600 0.021 0.000 1.048 475 K CA 0.686 56.968 56.287 -0.009 0.000 0.966 475 K CB 0.226 32.664 32.500 -0.103 0.000 0.754 475 K HN -0.002 nan 8.250 nan 0.000 0.466 476 S N 0.581 116.314 115.700 0.056 0.000 2.406 476 S HA 0.005 2.033 4.470 -4.071 0.000 0.228 476 S C 1.731 176.422 174.600 0.151 0.000 1.020 476 S CA 0.819 59.102 58.200 0.137 0.000 0.965 476 S CB 0.074 63.342 63.200 0.112 0.000 0.798 476 S HN 0.216 nan 8.310 nan 0.000 0.488 477 M N 0.619 120.213 119.600 -0.009 0.000 2.287 477 M HA 0.111 2.149 4.480 -4.071 0.000 0.266 477 M C 2.220 178.557 176.300 0.062 0.000 1.079 477 M CA 1.100 56.296 55.300 -0.172 0.000 1.146 477 M CB -1.194 30.937 32.600 -0.782 0.000 1.374 477 M HN 0.203 nan 8.290 nan 0.000 0.435 478 Q N 0.822 120.719 119.800 0.161 0.000 2.119 478 Q HA -0.087 1.811 4.340 -4.071 0.000 0.201 478 Q C 2.096 178.205 176.000 0.182 0.000 0.972 478 Q CA 2.224 58.223 55.803 0.327 0.000 0.847 478 Q CB -0.045 28.876 28.738 0.306 0.000 0.903 478 Q HN 0.587 nan 8.270 nan 0.000 0.433 479 S N -2.036 113.689 115.700 0.041 0.000 2.406 479 S HA -0.040 1.987 4.470 -4.071 0.000 0.224 479 S C 1.397 175.905 174.600 -0.153 0.000 1.030 479 S CA 0.850 58.985 58.200 -0.108 0.000 0.958 479 S CB -0.330 62.713 63.200 -0.262 0.000 0.811 479 S HN 0.503 nan 8.310 nan 0.000 0.489 480 H N 1.769 120.886 119.070 0.078 0.000 2.316 480 H HA 0.535 2.648 4.556 -4.071 0.000 0.314 480 H C 1.584 176.975 175.328 0.105 0.000 1.057 480 H CA 0.754 56.843 56.048 0.067 0.000 1.402 480 H CB -0.109 29.675 29.762 0.036 0.000 1.443 480 H HN 0.506 nan 8.280 nan 0.000 0.559 481 A N 1.173 124.169 122.820 0.293 0.000 3.105 481 A HA 0.591 2.469 4.320 -4.071 0.000 0.272 481 A C 0.822 178.664 177.584 0.429 0.000 1.466 481 A CA 0.223 52.447 52.037 0.312 0.000 1.101 481 A CB -1.057 18.131 19.000 0.314 0.000 1.065 481 A HN 0.464 nan 8.150 nan 0.000 0.643 482 A N -0.319 122.668 122.820 0.279 0.000 2.790 482 A HA 0.440 2.317 4.320 -4.071 0.000 0.225 482 A C 1.613 179.118 177.584 -0.131 0.000 1.904 482 A CA 0.574 52.721 52.037 0.183 0.000 0.878 482 A CB -0.675 18.369 19.000 0.074 0.000 1.774 482 A HN 0.571 nan 8.150 nan 0.000 0.714 483 V N -1.498 118.056 119.914 -0.601 0.000 2.295 483 V HA -0.080 1.597 4.120 -4.071 0.000 0.246 483 V C 0.498 176.154 176.094 -0.730 0.000 1.049 483 V CA 1.386 63.087 62.300 -0.998 0.000 1.024 483 V CB -1.024 30.137 31.823 -1.102 0.000 0.648 483 V HN 0.456 nan 8.190 nan 0.000 0.447 484 F N 0.777 120.611 119.950 -0.192 0.000 2.480 484 F HA 0.708 2.789 4.527 -4.078 0.000 0.329 484 F C 0.400 176.149 175.800 -0.085 0.000 1.091 484 F CA -1.146 56.775 58.000 -0.130 0.000 0.972 484 F CB 1.355 40.291 39.000 -0.107 0.000 1.150 484 F HN 0.058 nan 8.300 nan 0.000 0.467 485 R N 1.530 122.094 120.500 0.106 0.000 2.522 485 R HA 0.719 2.616 4.340 -4.071 0.000 0.283 485 R C -1.680 174.637 176.300 0.029 0.000 1.074 485 R CA -0.944 55.191 56.100 0.059 0.000 0.925 485 R CB 1.069 31.397 30.300 0.048 0.000 1.205 485 R HN 0.492 nan 8.270 nan 0.000 0.436 486 V N -0.196 119.735 119.914 0.029 0.000 2.973 486 V HA 0.601 2.278 4.120 -4.071 0.000 0.314 486 V C 1.397 177.503 176.094 0.019 0.000 1.066 486 V CA 0.197 62.497 62.300 0.000 0.000 1.021 486 V CB 1.358 33.166 31.823 -0.025 0.000 1.076 486 V HN 0.834 nan 8.190 nan 0.000 0.462 487 G N 1.199 110.007 108.800 0.013 0.000 2.446 487 G HA2 -0.252 1.266 3.960 -4.071 0.000 0.217 487 G HA3 -0.252 1.266 3.960 -4.071 0.000 0.217 487 G C 1.607 176.517 174.900 0.018 0.000 1.168 487 G CA 1.492 46.616 45.100 0.040 0.000 0.771 487 G HN 1.233 nan 8.290 nan 0.000 0.551 488 S N -0.155 115.550 115.700 0.008 0.000 2.383 488 S HA -0.033 1.995 4.470 -4.071 0.000 0.227 488 S C 2.252 176.863 174.600 0.020 0.000 1.026 488 S CA 1.264 59.469 58.200 0.007 0.000 0.981 488 S CB -0.380 62.822 63.200 0.003 0.000 0.818 488 S HN 0.127 nan 8.310 nan 0.000 0.472 489 V N 1.231 121.173 119.914 0.048 0.000 2.667 489 V HA 0.105 1.782 4.120 -4.071 0.000 0.252 489 V C 2.187 178.340 176.094 0.098 0.000 1.065 489 V CA 1.226 63.601 62.300 0.124 0.000 1.083 489 V CB -0.474 31.437 31.823 0.147 0.000 0.692 489 V HN 0.532 nan 8.190 nan 0.000 0.468 490 L N -0.932 120.309 121.223 0.029 0.000 2.179 490 L HA -0.086 1.812 4.340 -4.071 0.000 0.208 490 L C 2.676 179.468 176.870 -0.130 0.000 1.096 490 L CA 0.943 55.763 54.840 -0.034 0.000 0.779 490 L CB -0.516 41.540 42.059 -0.004 0.000 0.922 490 L HN 0.264 nan 8.230 nan 0.000 0.443 491 Q N -0.057 119.685 119.800 -0.098 0.000 2.124 491 Q HA -0.242 1.656 4.340 -4.071 0.000 0.202 491 Q C 2.022 177.934 176.000 -0.146 0.000 0.977 491 Q CA 1.403 57.133 55.803 -0.122 0.000 0.850 491 Q CB -0.087 28.614 28.738 -0.062 0.000 0.901 491 Q HN 0.522 nan 8.270 nan 0.000 0.429 492 E N -0.446 119.672 120.200 -0.137 0.000 2.216 492 E HA -0.079 1.828 4.350 -4.071 0.000 0.192 492 E C 1.809 178.201 176.600 -0.346 0.000 0.988 492 E CA 0.731 57.035 56.400 -0.161 0.000 0.834 492 E CB 0.067 29.726 29.700 -0.068 0.000 0.772 492 E HN 0.383 nan 8.360 nan 0.000 0.479 493 G N 0.382 108.853 108.800 -0.549 0.000 2.403 493 G HA2 -0.226 1.292 3.960 -4.071 0.000 0.216 493 G HA3 -0.226 1.292 3.960 -4.071 0.000 0.216 493 G C 1.706 176.416 174.900 -0.316 0.000 1.154 493 G CA 0.669 45.335 45.100 -0.724 0.000 0.784 493 G HN 0.323 nan 8.290 nan 0.000 0.538 494 C N 1.225 120.352 119.300 -0.289 0.000 2.446 494 C HA 0.007 2.024 4.460 -4.071 0.000 0.277 494 C C 2.889 177.813 174.990 -0.111 0.000 1.275 494 C CA 1.266 60.084 59.018 -0.332 0.000 1.727 494 C CB -0.671 26.609 27.740 -0.766 0.000 2.010 494 C HN 0.813 nan 8.230 nan 0.000 0.486 495 E N 1.015 121.153 120.200 -0.102 0.000 2.274 495 E HA -0.189 1.719 4.350 -4.071 0.000 0.194 495 E C 1.942 178.549 176.600 0.011 0.000 0.996 495 E CA 0.884 57.285 56.400 0.001 0.000 0.840 495 E CB -0.269 29.424 29.700 -0.013 0.000 0.772 495 E HN 0.572 nan 8.360 nan 0.000 0.491 496 K N 0.523 120.898 120.400 -0.042 0.000 2.103 496 K HA -0.038 1.840 4.320 -4.071 0.000 0.204 496 K C 1.885 178.503 176.600 0.031 0.000 1.052 496 K CA 0.810 57.087 56.287 -0.017 0.000 0.945 496 K CB 0.154 32.612 32.500 -0.070 0.000 0.722 496 K HN 0.125 nan 8.250 nan 0.000 0.443 497 I N 1.164 121.758 120.570 0.039 0.000 2.500 497 I HA -0.180 1.548 4.170 -4.071 0.000 0.252 497 I C 2.162 178.353 176.117 0.124 0.000 1.142 497 I CA 0.680 62.030 61.300 0.083 0.000 1.451 497 I CB -0.789 37.263 38.000 0.086 0.000 1.093 497 I HN 0.219 nan 8.210 nan 0.000 0.430 498 L N 1.403 122.709 121.223 0.138 0.000 2.201 498 L HA -0.123 1.775 4.340 -4.071 0.000 0.212 498 L C 2.713 179.665 176.870 0.136 0.000 1.105 498 L CA 1.550 56.470 54.840 0.134 0.000 0.775 498 L CB -0.741 41.408 42.059 0.150 0.000 0.913 498 L HN 0.144 nan 8.230 nan 0.000 0.440 499 R N -0.508 120.055 120.500 0.106 0.000 2.073 499 R HA -0.148 1.750 4.340 -4.071 0.000 0.234 499 R C 2.123 178.487 176.300 0.106 0.000 1.134 499 R CA 1.898 58.053 56.100 0.092 0.000 0.952 499 R CB -0.442 29.896 30.300 0.064 0.000 0.850 499 R HN 0.458 nan 8.270 nan 0.000 0.433 500 L N -0.384 120.905 121.223 0.111 0.000 2.291 500 L HA -0.118 1.779 4.340 -4.071 0.000 0.214 500 L C 2.145 179.086 176.870 0.119 0.000 1.120 500 L CA 0.754 55.655 54.840 0.102 0.000 0.799 500 L CB -0.382 41.732 42.059 0.091 0.000 0.925 500 L HN 0.233 nan 8.230 nan 0.000 0.446 501 Y N 0.632 120.950 120.300 0.029 0.000 2.439 501 Y HA -0.046 2.064 4.550 -4.066 0.000 0.292 501 Y C 2.261 178.172 175.900 0.019 0.000 1.130 501 Y CA 1.046 59.155 58.100 0.015 0.000 1.254 501 Y CB -0.070 38.390 38.460 0.000 0.000 1.000 501 Y HN 0.067 nan 8.280 nan 0.000 0.554 502 G N -1.044 107.837 108.800 0.136 0.000 2.572 502 G HA2 -0.138 1.379 3.960 -4.071 0.000 0.216 502 G HA3 -0.138 1.379 3.960 -4.071 0.000 0.216 502 G C 0.745 175.689 174.900 0.073 0.000 1.133 502 G CA 0.561 45.715 45.100 0.090 0.000 0.791 502 G HN 0.280 nan 8.290 nan 0.000 0.538 503 D N 0.507 120.949 120.400 0.069 0.000 2.881 503 D HA 0.203 2.401 4.640 -4.071 0.000 0.240 503 D C 1.441 177.741 176.300 0.000 0.000 1.249 503 D CA -0.030 54.034 54.000 0.106 0.000 0.839 503 D CB 0.641 41.498 40.800 0.096 0.000 1.042 503 D HN 0.282 nan 8.370 nan 0.000 0.475 504 L N 0.347 121.506 121.223 -0.108 0.000 2.609 504 L HA -0.009 1.889 4.340 -4.071 0.000 0.230 504 L C 2.269 179.039 176.870 -0.167 0.000 1.087 504 L CA 0.179 54.916 54.840 -0.171 0.000 0.874 504 L CB 0.306 42.173 42.059 -0.320 0.000 1.114 504 L HN -0.038 nan 8.230 nan 0.000 0.488 505 Q N -1.296 118.367 119.800 -0.228 0.000 2.376 505 Q HA -0.013 1.884 4.340 -4.071 0.000 0.206 505 Q C 1.132 176.963 176.000 -0.282 0.000 0.921 505 Q CA 0.786 56.422 55.803 -0.279 0.000 0.911 505 Q CB -0.094 28.430 28.738 -0.357 0.000 1.032 505 Q HN 0.535 nan 8.270 nan 0.000 0.510 506 H N 1.484 120.534 119.070 -0.033 0.000 2.539 506 H HA 0.170 2.284 4.556 -4.071 0.000 0.267 506 H C 0.591 175.907 175.328 -0.021 0.000 0.982 506 H CA -0.191 55.844 56.048 -0.022 0.000 1.146 506 H CB 0.110 29.865 29.762 -0.012 0.000 1.382 506 H HN 0.199 nan 8.280 nan 0.000 0.577 507 L N -0.107 121.141 121.223 0.042 0.000 2.439 507 L HA 0.388 2.286 4.340 -4.071 0.000 0.269 507 L C 0.217 177.090 176.870 0.005 0.000 1.179 507 L CA -0.580 54.275 54.840 0.025 0.000 0.828 507 L CB 0.534 42.590 42.059 -0.004 0.000 1.106 507 L HN -0.266 nan 8.230 nan 0.000 0.467 508 K N 1.114 121.524 120.400 0.016 0.000 2.307 508 K HA 0.529 2.407 4.320 -4.071 0.000 0.263 508 K C -0.522 176.074 176.600 -0.006 0.000 0.973 508 K CA -0.227 56.040 56.287 -0.032 0.000 0.846 508 K CB 1.423 33.908 32.500 -0.025 0.000 1.100 508 K HN 0.884 nan 8.250 nan 0.000 0.438 509 T N 3.264 117.773 114.554 -0.075 0.000 2.925 509 T HA 0.490 2.398 4.350 -4.071 0.000 0.285 509 T C -0.013 174.619 174.700 -0.114 0.000 1.021 509 T CA -0.395 61.697 62.100 -0.013 0.000 1.042 509 T CB 0.416 69.264 68.868 -0.033 0.000 1.037 509 T HN 0.505 nan 8.240 nan 0.000 0.481 510 F N 0.346 120.299 119.950 0.005 0.000 2.532 510 F HA 0.325 2.410 4.527 -4.071 0.000 0.276 510 F C 0.971 176.781 175.800 0.016 0.000 0.911 510 F CA -0.365 57.644 58.000 0.015 0.000 1.196 510 F CB 0.152 39.161 39.000 0.014 0.000 1.087 510 F HN 0.457 nan 8.300 nan 0.000 0.775 511 D N 0.754 121.275 120.400 0.202 0.000 2.417 511 D HA 0.125 2.323 4.640 -4.071 0.000 0.250 511 D C 0.087 176.422 176.300 0.058 0.000 1.166 511 D CA 0.480 54.550 54.000 0.115 0.000 0.881 511 D CB 0.494 41.347 40.800 0.088 0.000 1.164 511 D HN 0.080 nan 8.370 nan 0.000 0.467 512 R N 2.873 123.408 120.500 0.058 0.000 2.748 512 R HA 0.346 2.243 4.340 -4.071 0.000 0.395 512 R C 0.534 176.855 176.300 0.036 0.000 1.128 512 R CA -0.576 55.543 56.100 0.032 0.000 1.042 512 R CB 1.296 31.646 30.300 0.084 0.000 1.392 512 R HN 0.422 nan 8.270 nan 0.000 0.582 513 G N -0.264 108.556 108.800 0.034 0.000 2.568 513 G HA2 0.223 1.741 3.960 -4.071 0.000 0.293 513 G HA3 0.223 1.741 3.960 -4.071 0.000 0.293 513 G C 0.591 175.507 174.900 0.027 0.000 1.347 513 G CA -0.393 44.731 45.100 0.040 0.000 1.039 513 G HN -0.005 nan 8.290 nan 0.000 0.523 514 M N -1.040 118.583 119.600 0.040 0.000 2.838 514 M HA 0.193 2.231 4.480 -4.071 0.000 0.251 514 M C 0.650 176.973 176.300 0.039 0.000 1.393 514 M CA 0.458 55.781 55.300 0.039 0.000 1.196 514 M CB 0.439 33.065 32.600 0.043 0.000 1.276 514 M HN 0.107 nan 8.290 nan 0.000 0.541 515 V N 0.877 120.834 119.914 0.072 0.000 2.555 515 V HA -0.016 1.662 4.120 -4.071 0.000 0.286 515 V C -0.338 175.872 176.094 0.194 0.000 1.044 515 V CA -0.192 62.180 62.300 0.121 0.000 1.026 515 V CB 0.109 32.021 31.823 0.149 0.000 0.981 515 V HN 0.727 nan 8.190 nan 0.000 0.480 516 W N 3.805 125.104 121.300 -0.003 0.000 7.168 516 W HA -0.234 1.983 4.660 -4.071 0.000 0.415 516 W C 1.037 177.546 176.519 -0.015 0.000 1.614 516 W CA 0.401 57.742 57.345 -0.007 0.000 1.165 516 W CB -0.763 28.698 29.460 0.002 0.000 2.824 516 W HN 0.685 nan 8.180 nan 0.000 1.619 517 N N 0.860 119.600 118.700 0.067 0.000 2.819 517 N HA 0.012 2.310 4.740 -4.071 0.000 0.284 517 N C 1.396 176.907 175.510 0.002 0.000 1.196 517 N CA 1.144 54.215 53.050 0.034 0.000 1.114 517 N CB 0.441 38.912 38.487 -0.026 0.000 1.437 517 N HN 0.319 nan 8.380 nan 0.000 0.518 518 T N -1.244 113.368 114.554 0.096 0.000 2.962 518 T HA -0.154 1.754 4.350 -4.071 0.000 0.270 518 T C 1.350 176.057 174.700 0.012 0.000 1.088 518 T CA 0.890 63.036 62.100 0.076 0.000 1.127 518 T CB 0.065 69.040 68.868 0.179 0.000 0.883 518 T HN 0.315 nan 8.240 nan 0.000 0.493 519 D N 0.841 121.252 120.400 0.018 0.000 2.144 519 D HA -0.053 2.144 4.640 -4.071 0.000 0.200 519 D C 1.875 178.151 176.300 -0.041 0.000 0.978 519 D CA 0.524 54.529 54.000 0.009 0.000 0.833 519 D CB -0.388 40.439 40.800 0.046 0.000 0.961 519 D HN 0.292 nan 8.370 nan 0.000 0.470 520 L N 0.183 121.358 121.223 -0.080 0.000 2.109 520 L HA -0.009 1.889 4.340 -4.071 0.000 0.207 520 L C 2.384 179.115 176.870 -0.231 0.000 1.086 520 L CA 1.288 56.043 54.840 -0.142 0.000 0.760 520 L CB -0.426 41.541 42.059 -0.153 0.000 0.910 520 L HN 0.212 nan 8.230 nan 0.000 0.437 521 V N -3.989 115.751 119.914 -0.290 0.000 2.667 521 V HA -0.147 1.531 4.120 -4.071 0.000 0.252 521 V C 2.130 178.011 176.094 -0.356 0.000 1.065 521 V CA 1.449 63.438 62.300 -0.519 0.000 1.083 521 V CB -0.914 30.571 31.823 -0.563 0.000 0.692 521 V HN 0.482 nan 8.190 nan 0.000 0.468 522 E N 1.034 121.135 120.200 -0.164 0.000 2.110 522 E HA -0.141 1.766 4.350 -4.071 0.000 0.193 522 E C 2.314 178.875 176.600 -0.064 0.000 0.988 522 E CA 1.934 58.293 56.400 -0.069 0.000 0.804 522 E CB -0.270 29.418 29.700 -0.020 0.000 0.745 522 E HN 0.760 nan 8.360 nan 0.000 0.458 523 T N 1.298 115.797 114.554 -0.093 0.000 2.857 523 T HA -0.065 1.842 4.350 -4.071 0.000 0.266 523 T C 1.992 176.637 174.700 -0.092 0.000 1.048 523 T CA 0.590 62.644 62.100 -0.077 0.000 1.139 523 T CB -0.102 68.717 68.868 -0.082 0.000 0.874 523 T HN 0.072 nan 8.240 nan 0.000 0.455 524 L N 0.663 121.784 121.223 -0.169 0.000 2.056 524 L HA -0.056 1.842 4.340 -4.071 0.000 0.207 524 L C 2.763 179.639 176.870 0.010 0.000 1.078 524 L CA 1.347 56.097 54.840 -0.149 0.000 0.749 524 L CB -0.521 41.285 42.059 -0.421 0.000 0.901 524 L HN 0.278 nan 8.230 nan 0.000 0.433 525 E N -0.069 120.132 120.200 0.001 0.000 2.110 525 E HA -0.253 1.655 4.350 -4.071 0.000 0.193 525 E C 2.110 178.763 176.600 0.088 0.000 0.988 525 E CA 0.999 57.482 56.400 0.138 0.000 0.804 525 E CB -0.114 29.661 29.700 0.125 0.000 0.745 525 E HN 0.243 nan 8.360 nan 0.000 0.458 526 L N 1.380 122.627 121.223 0.040 0.000 2.046 526 L HA -0.229 1.668 4.340 -4.071 0.000 0.208 526 L C 2.104 178.995 176.870 0.034 0.000 1.077 526 L CA 1.751 56.612 54.840 0.036 0.000 0.747 526 L CB -0.252 41.816 42.059 0.014 0.000 0.896 526 L HN 0.075 nan 8.230 nan 0.000 0.432 527 Q N -0.656 119.154 119.800 0.018 0.000 2.061 527 Q HA -0.214 1.683 4.340 -4.071 0.000 0.204 527 Q C 1.878 177.919 176.000 0.069 0.000 0.984 527 Q CA 1.824 57.641 55.803 0.022 0.000 0.846 527 Q CB -0.262 28.478 28.738 0.004 0.000 0.902 527 Q HN 0.576 nan 8.270 nan 0.000 0.421 528 N N 0.400 119.146 118.700 0.077 0.000 2.244 528 N HA -0.083 2.215 4.740 -4.071 0.000 0.183 528 N C 1.735 177.274 175.510 0.047 0.000 1.016 528 N CA 0.844 53.934 53.050 0.068 0.000 0.866 528 N CB -0.119 38.426 38.487 0.097 0.000 0.980 528 N HN 0.215 nan 8.380 nan 0.000 0.430 529 L N 0.053 121.315 121.223 0.065 0.000 2.072 529 L HA -0.011 1.886 4.340 -4.071 0.000 0.205 529 L C 2.187 179.084 176.870 0.046 0.000 1.079 529 L CA 0.721 55.598 54.840 0.061 0.000 0.752 529 L CB -0.217 41.888 42.059 0.078 0.000 0.906 529 L HN 0.098 nan 8.230 nan 0.000 0.436 530 M N -0.547 119.100 119.600 0.078 0.000 2.099 530 M HA -0.181 1.857 4.480 -4.071 0.000 0.262 530 M C 2.366 178.714 176.300 0.081 0.000 1.067 530 M CA 1.747 57.122 55.300 0.126 0.000 1.124 530 M CB -0.963 31.786 32.600 0.249 0.000 1.353 530 M HN 0.214 nan 8.290 nan 0.000 0.410 531 L N -0.876 120.394 121.223 0.077 0.000 2.265 531 L HA -0.242 1.656 4.340 -4.071 0.000 0.215 531 L C 2.444 179.241 176.870 -0.121 0.000 1.117 531 L CA 0.753 55.582 54.840 -0.019 0.000 0.782 531 L CB -0.370 41.694 42.059 0.009 0.000 0.914 531 L HN 0.352 nan 8.230 nan 0.000 0.441 532 C N -1.535 117.677 119.300 -0.146 0.000 2.504 532 C HA 0.122 2.140 4.460 -4.071 0.000 0.279 532 C C 2.959 177.794 174.990 -0.259 0.000 1.358 532 C CA 0.346 59.167 59.018 -0.329 0.000 1.747 532 C CB -0.634 26.843 27.740 -0.438 0.000 2.037 532 C HN 0.602 nan 8.230 nan 0.000 0.503 533 A N 0.507 123.263 122.820 -0.105 0.000 1.854 533 A HA -0.054 1.823 4.320 -4.071 0.000 0.214 533 A C 1.928 179.500 177.584 -0.020 0.000 1.192 533 A CA 1.288 53.299 52.037 -0.043 0.000 0.611 533 A CB -0.666 18.328 19.000 -0.010 0.000 0.832 533 A HN 0.449 nan 8.150 nan 0.000 0.442 534 L N -0.209 120.990 121.223 -0.040 0.000 2.129 534 L HA -0.254 1.643 4.340 -4.071 0.000 0.212 534 L C 2.628 179.495 176.870 -0.005 0.000 1.087 534 L CA 1.900 56.720 54.840 -0.034 0.000 0.757 534 L CB -0.303 41.626 42.059 -0.218 0.000 0.896 534 L HN 0.503 nan 8.230 nan 0.000 0.434 535 Q N -2.318 117.441 119.800 -0.069 0.000 2.402 535 Q HA -0.008 1.889 4.340 -4.071 0.000 0.206 535 Q C 1.907 177.908 176.000 0.001 0.000 0.919 535 Q CA 1.072 56.842 55.803 -0.054 0.000 0.923 535 Q CB 0.138 28.798 28.738 -0.130 0.000 1.048 535 Q HN 0.420 nan 8.270 nan 0.000 0.515 536 T N 1.030 115.587 114.554 0.005 0.000 2.857 536 T HA -0.064 1.843 4.350 -4.071 0.000 0.266 536 T C 1.731 176.496 174.700 0.107 0.000 1.048 536 T CA 0.742 62.890 62.100 0.080 0.000 1.139 536 T CB 0.043 69.001 68.868 0.149 0.000 0.874 536 T HN 0.136 nan 8.240 nan 0.000 0.455 537 I N -0.286 120.351 120.570 0.112 0.000 2.400 537 I HA 0.061 1.789 4.170 -4.071 0.000 0.248 537 I C 1.761 177.919 176.117 0.067 0.000 1.109 537 I CA 1.023 62.380 61.300 0.094 0.000 1.425 537 I CB -0.116 37.925 38.000 0.068 0.000 1.094 537 I HN 0.114 nan 8.210 nan 0.000 0.425 538 Y N 0.644 120.934 120.300 -0.017 0.000 2.314 538 Y HA 0.008 2.113 4.550 -4.075 0.000 0.293 538 Y C 2.513 178.410 175.900 -0.005 0.000 1.129 538 Y CA 1.453 59.545 58.100 -0.013 0.000 1.201 538 Y CB -0.979 37.465 38.460 -0.026 0.000 0.999 538 Y HN 0.212 nan 8.280 nan 0.000 0.541 539 G N -0.941 107.936 108.800 0.128 0.000 2.421 539 G HA2 -0.135 1.382 3.960 -4.071 0.000 0.217 539 G HA3 -0.135 1.382 3.960 -4.071 0.000 0.217 539 G C 1.841 176.705 174.900 -0.060 0.000 1.143 539 G CA 0.779 45.909 45.100 0.049 0.000 0.784 539 G HN 0.440 nan 8.290 nan 0.000 0.541 540 A N 1.514 124.311 122.820 -0.040 0.000 1.930 540 A HA 0.084 1.961 4.320 -4.071 0.000 0.215 540 A C 2.159 179.767 177.584 0.041 0.000 1.176 540 A CA 1.925 53.954 52.037 -0.013 0.000 0.632 540 A CB -0.295 18.793 19.000 0.146 0.000 0.819 540 A HN 0.488 nan 8.150 nan 0.000 0.445 541 E N 0.304 120.503 120.200 -0.002 0.000 2.208 541 E HA 0.129 2.037 4.350 -4.071 0.000 0.193 541 E C 1.653 178.229 176.600 -0.040 0.000 0.988 541 E CA 1.314 57.701 56.400 -0.022 0.000 0.828 541 E CB -0.457 29.188 29.700 -0.093 0.000 0.763 541 E HN 0.389 nan 8.360 nan 0.000 0.478 542 A N 1.168 123.962 122.820 -0.045 0.000 1.897 542 A HA -0.020 1.857 4.320 -4.071 0.000 0.215 542 A C 1.651 178.987 177.584 -0.412 0.000 1.181 542 A CA 0.690 52.709 52.037 -0.031 0.000 0.620 542 A CB -0.448 18.654 19.000 0.170 0.000 0.821 542 A HN 0.199 nan 8.150 nan 0.000 0.443 543 R N 1.179 121.347 120.500 -0.553 0.000 2.404 543 R HA 0.113 2.011 4.340 -4.071 0.000 0.315 543 R C -0.770 175.018 176.300 -0.853 0.000 1.032 543 R CA 0.256 55.728 56.100 -1.047 0.000 0.992 543 R CB 0.076 29.923 30.300 -0.753 0.000 0.959 543 R HN 0.217 nan 8.270 nan 0.000 0.428 544 K N 5.445 124.969 120.400 -1.461 0.000 2.847 544 K HA 0.093 1.971 4.320 -4.071 0.000 0.213 544 K C -0.886 175.244 176.600 -0.783 0.000 1.174 544 K CA -0.229 55.423 56.287 -1.057 0.000 1.095 544 K CB 0.410 32.175 32.500 -1.225 0.000 1.581 544 K HN 0.729 nan 8.250 nan 0.000 0.514 545 E N -1.607 118.420 120.200 -0.289 0.000 2.429 545 E HA 0.290 2.198 4.350 -4.071 0.000 0.280 545 E C -1.312 175.381 176.600 0.154 0.000 1.068 545 E CA -0.985 55.425 56.400 0.017 0.000 0.837 545 E CB 1.057 30.772 29.700 0.026 0.000 1.357 545 E HN -0.135 nan 8.360 nan 0.000 0.455 546 S N 0.468 116.279 115.700 0.184 0.000 2.461 546 S HA 0.429 2.456 4.470 -4.071 0.000 0.322 546 S C -0.762 173.974 174.600 0.226 0.000 1.063 546 S CA -0.639 57.671 58.200 0.182 0.000 1.120 546 S CB 0.405 63.698 63.200 0.156 0.000 0.968 546 S HN 0.406 nan 8.310 nan 0.000 0.467 547 R N 2.478 123.157 120.500 0.297 0.000 2.483 547 R HA 0.543 2.441 4.340 -4.071 0.000 0.303 547 R C 0.905 177.447 176.300 0.404 0.000 0.987 547 R CA 0.304 56.613 56.100 0.349 0.000 0.881 547 R CB 0.599 31.147 30.300 0.412 0.000 1.177 547 R HN 0.820 nan 8.270 nan 0.000 0.451 548 G N 2.818 111.791 108.800 0.289 0.000 2.634 548 G HA2 -0.486 1.032 3.960 -4.071 0.000 0.318 548 G HA3 -0.486 1.032 3.960 -4.071 0.000 0.318 548 G C 0.799 175.837 174.900 0.231 0.000 1.207 548 G CA 0.619 45.866 45.100 0.245 0.000 0.987 548 G HN 0.787 nan 8.290 nan 0.000 0.547 549 A N -0.685 122.312 122.820 0.296 0.000 2.014 549 A HA 0.151 2.028 4.320 -4.071 0.000 0.218 549 A C 1.293 179.003 177.584 0.211 0.000 1.163 549 A CA 1.690 53.873 52.037 0.244 0.000 0.652 549 A CB -0.383 18.795 19.000 0.297 0.000 0.808 549 A HN 0.930 nan 8.150 nan 0.000 0.449 550 H N 0.359 119.515 119.070 0.143 0.000 2.800 550 H HA 0.503 2.610 4.556 -4.083 0.000 0.291 550 H C -0.836 174.514 175.328 0.038 0.000 1.076 550 H CA 0.338 56.370 56.048 -0.026 0.000 1.452 550 H CB 0.486 30.057 29.762 -0.319 0.000 1.461 550 H HN 0.220 nan 8.280 nan 0.000 0.488 551 A N 7.605 130.261 122.820 -0.273 0.000 2.410 551 A HA 0.361 2.238 4.320 -4.071 0.000 0.289 551 A C -0.344 177.172 177.584 -0.113 0.000 1.200 551 A CA -0.891 51.093 52.037 -0.088 0.000 0.751 551 A CB 0.660 19.691 19.000 0.051 0.000 1.161 551 A HN 0.646 nan 8.150 nan 0.000 0.459 552 R N 1.930 122.381 120.500 -0.081 0.000 2.297 552 R HA 0.242 2.140 4.340 -4.071 0.000 0.308 552 R C 0.193 176.511 176.300 0.031 0.000 1.029 552 R CA -0.217 55.877 56.100 -0.010 0.000 0.929 552 R CB 1.238 31.610 30.300 0.121 0.000 1.046 552 R HN 0.867 nan 8.270 nan 0.000 0.461 553 E N 1.083 121.274 120.200 -0.015 0.000 2.285 553 E HA -0.121 1.787 4.350 -4.071 0.000 0.194 553 E C 0.413 176.921 176.600 -0.153 0.000 0.997 553 E CA 0.785 57.139 56.400 -0.077 0.000 0.845 553 E CB 0.358 29.992 29.700 -0.111 0.000 0.782 553 E HN 0.515 nan 8.360 nan 0.000 0.491 554 D N 0.468 120.714 120.400 -0.257 0.000 2.123 554 D HA -0.101 2.097 4.640 -4.071 0.000 0.200 554 D C 0.294 176.157 176.300 -0.730 0.000 0.976 554 D CA 0.930 54.572 54.000 -0.597 0.000 0.831 554 D CB -0.031 40.199 40.800 -0.950 0.000 0.974 554 D HN 0.158 nan 8.370 nan 0.000 0.469 555 F N 1.629 121.580 119.950 0.001 0.000 2.453 555 F HA 0.275 2.472 4.527 -3.884 0.000 0.358 555 F C 1.250 177.069 175.800 0.030 0.000 1.129 555 F CA -0.944 57.068 58.000 0.019 0.000 1.200 555 F CB 0.993 40.002 39.000 0.015 0.000 1.431 555 F HN -0.276 nan 8.300 nan 0.000 0.503 556 K N -0.201 120.281 120.400 0.137 0.000 2.525 556 K HA 0.067 1.945 4.320 -4.071 0.000 0.192 556 K C -0.259 176.429 176.600 0.147 0.000 1.029 556 K CA 0.335 56.696 56.287 0.124 0.000 1.029 556 K CB 0.161 32.706 32.500 0.075 0.000 0.814 556 K HN 0.374 nan 8.250 nan 0.000 0.503 557 E N 2.103 122.410 120.200 0.179 0.000 2.338 557 E HA 0.093 2.001 4.350 -4.071 0.000 0.272 557 E C -0.281 176.427 176.600 0.180 0.000 1.029 557 E CA -0.321 56.181 56.400 0.170 0.000 0.872 557 E CB 1.058 30.866 29.700 0.179 0.000 1.015 557 E HN -0.009 nan 8.360 nan 0.000 0.417 558 R N 2.977 123.578 120.500 0.169 0.000 2.593 558 R HA 0.161 2.058 4.340 -4.071 0.000 0.282 558 R C -0.951 175.464 176.300 0.190 0.000 1.300 558 R CA -0.402 55.809 56.100 0.184 0.000 1.221 558 R CB -0.334 30.070 30.300 0.173 0.000 1.157 558 R HN 0.213 nan 8.270 nan 0.000 0.555 559 V N 5.588 125.631 119.914 0.214 0.000 2.415 559 V HA 0.075 1.753 4.120 -4.071 0.000 0.267 559 V C 0.617 176.851 176.094 0.232 0.000 1.042 559 V CA 0.140 62.573 62.300 0.222 0.000 1.000 559 V CB 0.691 32.687 31.823 0.287 0.000 1.015 559 V HN 0.562 nan 8.190 nan 0.000 0.478 560 D N 3.337 123.847 120.400 0.183 0.000 2.650 560 D HA 0.310 2.508 4.640 -4.071 0.000 0.255 560 D C 0.811 177.079 176.300 -0.052 0.000 1.135 560 D CA -0.573 53.523 54.000 0.160 0.000 1.099 560 D CB 1.262 42.249 40.800 0.313 0.000 1.273 560 D HN 0.508 nan 8.370 nan 0.000 0.628 561 E N -0.721 119.345 120.200 -0.224 0.000 2.274 561 E HA -0.025 1.882 4.350 -4.071 0.000 0.194 561 E C -0.255 176.014 176.600 -0.552 0.000 0.996 561 E CA 1.116 57.199 56.400 -0.528 0.000 0.840 561 E CB -0.118 29.292 29.700 -0.484 0.000 0.772 561 E HN 0.332 nan 8.360 nan 0.000 0.491 562 Y N -0.419 119.724 120.300 -0.260 0.000 2.576 562 Y HA 0.304 2.414 4.550 -4.067 0.000 0.346 562 Y C -0.689 174.953 175.900 -0.429 0.000 1.018 562 Y CA -1.773 56.041 58.100 -0.476 0.000 1.050 562 Y CB 1.539 39.459 38.460 -0.900 0.000 1.280 562 Y HN -0.257 nan 8.280 nan 0.000 0.474 563 D N 0.720 121.030 120.400 -0.149 0.000 2.352 563 D HA 0.096 2.294 4.640 -4.071 0.000 0.245 563 D C -0.596 175.613 176.300 -0.151 0.000 1.224 563 D CA 0.204 54.158 54.000 -0.076 0.000 0.879 563 D CB 0.154 40.938 40.800 -0.026 0.000 1.057 563 D HN 0.429 nan 8.370 nan 0.000 0.491 564 Y N 2.035 122.334 120.300 -0.001 0.000 2.496 564 Y HA 0.071 2.175 4.550 -4.077 0.000 0.313 564 Y C 2.124 177.993 175.900 -0.053 0.000 1.184 564 Y CA -0.198 57.868 58.100 -0.057 0.000 1.275 564 Y CB 0.167 38.548 38.460 -0.131 0.000 1.103 564 Y HN 0.333 nan 8.280 nan 0.000 0.513 565 S N 0.095 115.833 115.700 0.064 0.000 2.345 565 S HA -0.103 1.925 4.470 -4.071 0.000 0.220 565 S C 0.898 175.509 174.600 0.018 0.000 1.031 565 S CA 0.974 59.198 58.200 0.040 0.000 0.996 565 S CB -0.117 63.101 63.200 0.030 0.000 0.882 565 S HN 0.452 nan 8.310 nan 0.000 0.445 566 K N 1.626 122.023 120.400 -0.005 0.000 2.238 566 K HA 0.513 2.391 4.320 -4.071 0.000 0.239 566 K C -3.208 173.366 176.600 -0.043 0.000 0.987 566 K CA -2.344 53.932 56.287 -0.018 0.000 0.857 566 K CB 0.238 32.727 32.500 -0.018 0.000 1.154 566 K HN -0.107 nan 8.250 nan 0.000 0.439 567 P HA -0.026 nan 4.420 nan 0.000 0.266 567 P C 0.359 177.586 177.300 -0.122 0.000 1.193 567 P CA -0.150 62.907 63.100 -0.072 0.000 0.770 567 P CB 0.130 31.797 31.700 -0.054 0.000 0.836 568 I N -1.212 119.235 120.570 -0.204 0.000 3.600 568 I HA 0.031 1.759 4.170 -4.071 0.000 0.300 568 I C 1.681 177.680 176.117 -0.197 0.000 1.284 568 I CA 0.289 61.389 61.300 -0.334 0.000 1.259 568 I CB -0.932 36.622 38.000 -0.743 0.000 1.081 568 I HN 0.134 nan 8.210 nan 0.000 0.465 569 Q N 2.979 122.716 119.800 -0.104 0.000 1.858 569 Q HA 0.093 1.990 4.340 -4.071 0.000 0.224 569 Q C 1.658 177.643 176.000 -0.025 0.000 0.980 569 Q CA 2.124 57.892 55.803 -0.058 0.000 0.868 569 Q CB -0.727 27.986 28.738 -0.042 0.000 0.920 569 Q HN 0.564 nan 8.270 nan 0.000 0.427 570 G N 0.949 109.742 108.800 -0.012 0.000 4.126 570 G HA2 0.328 1.845 3.960 -4.071 0.000 0.282 570 G HA3 0.328 1.845 3.960 -4.071 0.000 0.282 570 G C -0.989 173.923 174.900 0.019 0.000 1.221 570 G CA -0.342 44.761 45.100 0.005 0.000 1.527 570 G HN 0.220 nan 8.290 nan 0.000 0.612 571 Q N 0.052 119.887 119.800 0.057 0.000 2.365 571 Q HA 0.356 2.253 4.340 -4.071 0.000 0.269 571 Q C -0.771 175.284 176.000 0.092 0.000 1.061 571 Q CA -0.914 54.939 55.803 0.084 0.000 0.816 571 Q CB 2.440 31.267 28.738 0.148 0.000 1.325 571 Q HN 0.285 nan 8.270 nan 0.000 0.446 572 Q N 2.115 121.909 119.800 -0.011 0.000 2.296 572 Q HA 0.101 1.999 4.340 -4.071 0.000 0.262 572 Q C -1.026 174.826 176.000 -0.246 0.000 0.981 572 Q CA 0.190 55.948 55.803 -0.074 0.000 0.905 572 Q CB 0.735 29.433 28.738 -0.067 0.000 1.186 572 Q HN 0.295 nan 8.270 nan 0.000 0.399 573 K N 3.474 123.700 120.400 -0.290 0.000 2.383 573 K HA 0.081 1.959 4.320 -4.071 0.000 0.286 573 K C -0.671 175.727 176.600 -0.336 0.000 1.051 573 K CA -0.060 55.900 56.287 -0.544 0.000 0.974 573 K CB 0.434 32.755 32.500 -0.298 0.000 0.968 573 K HN 0.490 nan 8.250 nan 0.000 0.475 574 K N 5.358 125.524 120.400 -0.390 0.000 2.298 574 K HA 0.152 2.029 4.320 -4.071 0.000 0.280 574 K C -2.246 174.314 176.600 -0.067 0.000 1.032 574 K CA -1.623 54.546 56.287 -0.197 0.000 0.958 574 K CB 0.532 32.922 32.500 -0.183 0.000 0.978 574 K HN 0.430 nan 8.250 nan 0.000 0.472 575 P HA -0.094 nan 4.420 nan 0.000 0.270 575 P C 0.025 177.418 177.300 0.155 0.000 1.227 575 P CA -0.063 63.078 63.100 0.067 0.000 0.788 575 P CB 0.368 32.077 31.700 0.015 0.000 0.926 576 F N 0.733 120.687 119.950 0.007 0.000 2.234 576 F HA -0.152 1.956 4.527 -4.032 0.000 0.299 576 F C 1.756 177.343 175.800 -0.355 0.000 1.087 576 F CA 1.144 59.100 58.000 -0.073 0.000 1.340 576 F CB 0.137 39.124 39.000 -0.022 0.000 1.031 576 F HN 0.262 nan 8.300 nan 0.000 0.500 577 Q N 0.190 119.867 119.800 -0.205 0.000 2.242 577 Q HA 0.035 1.933 4.340 -4.071 0.000 0.246 577 Q C 0.637 176.369 176.000 -0.446 0.000 0.883 577 Q CA 0.217 55.780 55.803 -0.399 0.000 0.984 577 Q CB 0.308 28.943 28.738 -0.173 0.000 1.096 577 Q HN 0.610 nan 8.270 nan 0.000 0.452 578 E N 0.716 120.653 120.200 -0.438 0.000 2.367 578 E HA -0.013 1.895 4.350 -4.071 0.000 0.204 578 E C 0.536 176.882 176.600 -0.423 0.000 0.840 578 E CA -0.034 56.167 56.400 -0.331 0.000 1.051 578 E CB 0.374 29.991 29.700 -0.138 0.000 1.051 578 E HN 0.568 nan 8.360 nan 0.000 0.509 579 H N -2.807 115.945 119.070 -0.530 0.000 2.748 579 H HA 0.147 2.270 4.556 -4.054 0.000 0.288 579 H C -0.291 174.563 175.328 -0.790 0.000 1.539 579 H CA -0.607 55.158 56.048 -0.472 0.000 1.577 579 H CB 0.121 29.734 29.762 -0.248 0.000 1.721 579 H HN 0.131 nan 8.280 nan 0.000 0.869 580 W N -1.124 120.072 121.300 -0.173 0.000 2.079 580 W HA 0.327 4.835 4.660 -0.255 0.000 0.285 580 W C 0.937 177.402 176.519 -0.090 0.000 0.891 580 W CA -0.523 56.674 57.345 -0.248 0.000 1.308 580 W CB 0.912 30.284 29.460 -0.147 0.000 1.047 580 W HN 0.347 nan 8.180 nan 0.000 0.522 581 R N 3.526 124.195 120.500 0.282 0.000 3.688 581 R HA 0.075 1.973 4.340 -4.071 0.000 0.194 581 R C -0.192 176.162 176.300 0.089 0.000 1.677 581 R CA 0.598 56.839 56.100 0.234 0.000 1.351 581 R CB -0.864 29.595 30.300 0.265 0.000 1.338 581 R HN 0.038 nan 8.270 nan 0.000 0.731 582 K N 0.209 120.604 120.400 -0.009 0.000 2.568 582 K HA 0.240 2.118 4.320 -4.071 0.000 0.273 582 K C -1.284 175.348 176.600 0.053 0.000 0.951 582 K CA -1.069 55.180 56.287 -0.063 0.000 0.854 582 K CB 1.003 33.350 32.500 -0.256 0.000 1.424 582 K HN 0.102 nan 8.250 nan 0.000 0.427 583 H N 1.195 120.396 119.070 0.217 0.000 2.722 583 H HA 0.111 2.225 4.556 -4.070 0.000 0.328 583 H C -0.298 175.198 175.328 0.281 0.000 1.067 583 H CA 0.077 56.244 56.048 0.198 0.000 1.447 583 H CB 1.012 30.838 29.762 0.107 0.000 1.469 583 H HN 0.483 nan 8.280 nan 0.000 0.544 584 T N 5.906 120.714 114.554 0.425 0.000 2.738 584 T HA 0.220 2.128 4.350 -4.071 0.000 0.294 584 T C 0.967 175.694 174.700 0.046 0.000 0.914 584 T CA -0.468 61.804 62.100 0.287 0.000 1.052 584 T CB -0.212 68.848 68.868 0.319 0.000 0.897 584 T HN 0.228 nan 8.240 nan 0.000 0.522 585 L N 4.024 125.177 121.223 -0.118 0.000 2.276 585 L HA 0.456 2.353 4.340 -4.071 0.000 0.286 585 L C 0.521 177.273 176.870 -0.197 0.000 1.061 585 L CA -0.573 54.164 54.840 -0.171 0.000 0.807 585 L CB 0.948 42.906 42.059 -0.168 0.000 1.177 585 L HN 0.634 nan 8.230 nan 0.000 0.429 586 S N 2.001 117.550 115.700 -0.251 0.000 2.502 586 S HA 0.722 2.750 4.470 -4.071 0.000 0.304 586 S C -1.009 173.394 174.600 -0.328 0.000 1.097 586 S CA -0.819 57.269 58.200 -0.187 0.000 1.045 586 S CB 1.307 64.430 63.200 -0.128 0.000 1.019 586 S HN 0.319 nan 8.310 nan 0.000 0.481 587 Y N 0.572 120.804 120.300 -0.114 0.000 2.587 587 Y HA 0.812 2.916 4.550 -4.077 0.000 0.337 587 Y C -0.102 175.711 175.900 -0.145 0.000 1.065 587 Y CA -1.153 56.881 58.100 -0.109 0.000 1.126 587 Y CB 1.921 40.330 38.460 -0.085 0.000 1.279 587 Y HN 0.673 nan 8.280 nan 0.000 0.489 588 V N 1.400 121.325 119.914 0.019 0.000 2.817 588 V HA 0.278 1.955 4.120 -4.071 0.000 0.303 588 V C -1.641 174.408 176.094 -0.074 0.000 1.151 588 V CA -0.706 61.534 62.300 -0.100 0.000 0.929 588 V CB 1.898 33.593 31.823 -0.213 0.000 1.030 588 V HN 0.850 nan 8.190 nan 0.000 0.427 589 D N 4.123 124.467 120.400 -0.093 0.000 2.343 589 D HA 0.286 2.484 4.640 -4.071 0.000 0.255 589 D C 0.926 177.195 176.300 -0.053 0.000 1.187 589 D CA 0.162 54.128 54.000 -0.057 0.000 0.875 589 D CB 1.909 42.678 40.800 -0.052 0.000 1.136 589 D HN 0.311 nan 8.370 nan 0.000 0.469 590 V N 4.463 124.384 119.914 0.011 0.000 2.548 590 V HA -0.154 1.523 4.120 -4.071 0.000 0.249 590 V C 2.108 178.298 176.094 0.160 0.000 1.055 590 V CA 1.373 63.734 62.300 0.102 0.000 1.065 590 V CB -0.465 31.412 31.823 0.090 0.000 0.681 590 V HN 0.601 nan 8.190 nan 0.000 0.462 591 K N 0.457 120.905 120.400 0.079 0.000 2.228 591 K HA -0.054 1.823 4.320 -4.071 0.000 0.202 591 K C 1.887 178.535 176.600 0.080 0.000 1.051 591 K CA 1.706 58.033 56.287 0.068 0.000 0.960 591 K CB -0.052 32.466 32.500 0.031 0.000 0.743 591 K HN 0.700 nan 8.250 nan 0.000 0.458 592 T N -4.733 109.859 114.554 0.064 0.000 2.975 592 T HA 0.218 2.126 4.350 -4.071 0.000 0.261 592 T C 1.246 175.967 174.700 0.035 0.000 0.984 592 T CA 0.245 62.376 62.100 0.053 0.000 0.911 592 T CB 0.998 69.873 68.868 0.013 0.000 1.127 592 T HN 0.209 nan 8.240 nan 0.000 0.514 593 G N 2.116 110.882 108.800 -0.056 0.000 2.143 593 G HA2 -0.282 1.236 3.960 -4.071 0.000 0.248 593 G HA3 -0.282 1.236 3.960 -4.071 0.000 0.248 593 G C -0.059 174.635 174.900 -0.342 0.000 0.991 593 G CA 0.294 45.162 45.100 -0.388 0.000 0.689 593 G HN 0.798 nan 8.290 nan 0.000 0.522 594 K N 0.580 120.852 120.400 -0.213 0.000 2.368 594 K HA 0.448 2.325 4.320 -4.071 0.000 0.282 594 K C 0.140 176.582 176.600 -0.263 0.000 1.035 594 K CA -0.378 55.787 56.287 -0.203 0.000 0.973 594 K CB 0.679 33.117 32.500 -0.104 0.000 0.957 594 K HN 0.025 nan 8.250 nan 0.000 0.474 595 V N 4.462 124.155 119.914 -0.368 0.000 2.370 595 V HA 0.148 1.826 4.120 -4.071 0.000 0.279 595 V C -0.105 175.900 176.094 -0.149 0.000 1.029 595 V CA -0.560 61.533 62.300 -0.345 0.000 0.870 595 V CB 1.132 32.556 31.823 -0.665 0.000 0.984 595 V HN 0.911 nan 8.190 nan 0.000 0.451 596 S N 6.514 122.176 115.700 -0.063 0.000 2.549 596 S HA 0.930 2.958 4.470 -4.071 0.000 0.297 596 S C -0.719 173.913 174.600 0.054 0.000 1.115 596 S CA -0.801 57.395 58.200 -0.008 0.000 1.059 596 S CB 1.888 65.063 63.200 -0.041 0.000 1.046 596 S HN 0.837 nan 8.310 nan 0.000 0.506 597 L N -0.958 120.284 121.223 0.032 0.000 2.482 597 L HA 0.774 2.672 4.340 -4.071 0.000 0.263 597 L C -1.029 175.758 176.870 -0.138 0.000 0.957 597 L CA -0.854 53.969 54.840 -0.027 0.000 0.836 597 L CB 1.765 43.770 42.059 -0.090 0.000 1.324 597 L HN 0.673 nan 8.230 nan 0.000 0.406 598 E N 1.571 121.662 120.200 -0.182 0.000 2.396 598 E HA 0.652 2.559 4.350 -4.071 0.000 0.251 598 E C -1.821 174.448 176.600 -0.551 0.000 0.949 598 E CA -0.905 55.384 56.400 -0.185 0.000 0.834 598 E CB 2.220 31.987 29.700 0.111 0.000 1.309 598 E HN 0.575 nan 8.360 nan 0.000 0.405 599 Y N -0.237 120.144 120.300 0.135 0.000 2.470 599 Y HA 0.367 2.516 4.550 -4.001 0.000 0.341 599 Y C -0.534 175.476 175.900 0.184 0.000 1.021 599 Y CA -1.131 57.049 58.100 0.133 0.000 1.025 599 Y CB 1.881 40.395 38.460 0.090 0.000 1.266 599 Y HN 0.412 nan 8.280 nan 0.000 0.448 600 R N 1.715 122.372 120.500 0.262 0.000 2.803 600 R HA 0.790 2.687 4.340 -4.071 0.000 0.276 600 R C -3.388 173.190 176.300 0.464 0.000 0.978 600 R CA -2.296 53.956 56.100 0.253 0.000 0.939 600 R CB 1.806 32.046 30.300 -0.100 0.000 1.179 600 R HN 0.187 nan 8.270 nan 0.000 0.472 601 P HA -0.019 nan 4.420 nan 0.000 0.269 601 P C -0.406 177.048 177.300 0.256 0.000 1.215 601 P CA -0.549 62.807 63.100 0.427 0.000 0.780 601 P CB 0.613 32.486 31.700 0.289 0.000 0.898 602 V N 0.452 120.438 119.914 0.121 0.000 2.732 602 V HA 0.346 2.024 4.120 -4.071 0.000 0.297 602 V C 0.216 176.414 176.094 0.173 0.000 1.060 602 V CA -0.494 61.832 62.300 0.043 0.000 1.038 602 V CB 0.258 32.036 31.823 -0.076 0.000 1.003 602 V HN 0.264 nan 8.190 nan 0.000 0.481 603 I N 3.141 123.835 120.570 0.207 0.000 2.312 603 I HA 0.303 2.030 4.170 -4.071 0.000 0.291 603 I C 0.357 176.582 176.117 0.180 0.000 1.031 603 I CA -0.000 61.412 61.300 0.186 0.000 1.293 603 I CB 1.007 39.117 38.000 0.183 0.000 1.403 603 I HN 0.668 nan 8.210 nan 0.000 0.484 604 D N 4.322 124.828 120.400 0.177 0.000 2.338 604 D HA -0.009 2.189 4.640 -4.071 0.000 0.208 604 D C 0.737 177.154 176.300 0.195 0.000 0.997 604 D CA 0.540 54.655 54.000 0.192 0.000 0.880 604 D CB 0.305 41.216 40.800 0.185 0.000 0.980 604 D HN 0.513 nan 8.370 nan 0.000 0.509 605 K N 0.819 121.319 120.400 0.167 0.000 2.219 605 K HA 0.271 2.148 4.320 -4.071 0.000 0.258 605 K C 0.468 177.174 176.600 0.176 0.000 1.008 605 K CA -0.249 56.130 56.287 0.153 0.000 0.928 605 K CB 0.613 33.183 32.500 0.116 0.000 0.983 605 K HN -0.081 nan 8.250 nan 0.000 0.484 606 T N -1.060 113.598 114.554 0.174 0.000 2.893 606 T HA 0.243 2.150 4.350 -4.071 0.000 0.279 606 T C 1.308 176.085 174.700 0.128 0.000 0.991 606 T CA -0.982 61.252 62.100 0.223 0.000 0.950 606 T CB 0.462 69.467 68.868 0.228 0.000 1.223 606 T HN 0.568 nan 8.240 nan 0.000 0.585 607 L N -0.074 121.201 121.223 0.087 0.000 2.240 607 L HA 0.240 2.138 4.340 -4.071 0.000 0.211 607 L C 1.196 178.042 176.870 -0.041 0.000 1.106 607 L CA 0.713 55.449 54.840 -0.174 0.000 0.793 607 L CB -0.180 41.549 42.059 -0.549 0.000 0.927 607 L HN 0.657 nan 8.230 nan 0.000 0.446 608 N N -0.250 118.524 118.700 0.123 0.000 2.594 608 N HA 0.004 2.301 4.740 -4.071 0.000 0.280 608 N C 0.340 175.927 175.510 0.128 0.000 1.156 608 N CA -0.010 53.115 53.050 0.125 0.000 0.831 608 N CB 1.680 40.243 38.487 0.128 0.000 1.379 608 N HN -0.074 nan 8.380 nan 0.000 0.536 609 E N 3.580 123.827 120.200 0.077 0.000 2.085 609 E HA -0.092 1.816 4.350 -4.071 0.000 0.194 609 E C 1.518 178.131 176.600 0.021 0.000 0.994 609 E CA 2.128 58.557 56.400 0.049 0.000 0.801 609 E CB 0.037 29.765 29.700 0.048 0.000 0.743 609 E HN 0.629 nan 8.360 nan 0.000 0.453 610 A N 0.163 123.000 122.820 0.027 0.000 1.930 610 A HA -0.168 1.710 4.320 -4.071 0.000 0.217 610 A C 2.113 179.698 177.584 0.002 0.000 1.175 610 A CA 1.904 53.949 52.037 0.013 0.000 0.627 610 A CB -0.697 18.315 19.000 0.019 0.000 0.815 610 A HN 0.384 nan 8.150 nan 0.000 0.443 611 D N -2.013 118.403 120.400 0.027 0.000 2.183 611 D HA 0.000 2.198 4.640 -4.071 0.000 0.205 611 D C 0.093 176.342 176.300 -0.084 0.000 0.962 611 D CA 0.737 54.752 54.000 0.025 0.000 0.849 611 D CB 0.137 41.016 40.800 0.130 0.000 0.978 611 D HN 0.268 nan 8.370 nan 0.000 0.488 612 C N 1.177 120.397 119.300 -0.133 0.000 2.442 612 C HA 0.813 2.831 4.460 -4.071 0.000 0.335 612 C C -0.236 174.598 174.990 -0.259 0.000 1.134 612 C CA -0.811 57.964 59.018 -0.405 0.000 1.344 612 C CB -0.297 26.866 27.740 -0.962 0.000 1.956 612 C HN 0.345 nan 8.230 nan 0.000 0.438 613 A N 4.865 127.596 122.820 -0.150 0.000 2.440 613 A HA 0.531 2.409 4.320 -4.071 0.000 0.251 613 A C 0.630 178.292 177.584 0.130 0.000 1.089 613 A CA 0.299 52.329 52.037 -0.012 0.000 0.779 613 A CB 0.169 19.154 19.000 -0.025 0.000 1.022 613 A HN 0.884 nan 8.150 nan 0.000 0.492 614 T N 2.108 116.755 114.554 0.155 0.000 2.902 614 T HA 0.286 2.193 4.350 -4.071 0.000 0.301 614 T C 0.206 175.073 174.700 0.277 0.000 1.012 614 T CA 0.145 62.396 62.100 0.252 0.000 1.151 614 T CB 0.204 69.182 68.868 0.182 0.000 0.946 614 T HN 0.397 nan 8.240 nan 0.000 0.542 615 V N 8.067 128.204 119.914 0.372 0.000 2.334 615 V HA 0.246 1.923 4.120 -4.071 0.000 0.267 615 V C -1.966 174.376 176.094 0.413 0.000 1.040 615 V CA -1.936 60.604 62.300 0.400 0.000 0.866 615 V CB 0.618 32.707 31.823 0.444 0.000 1.019 615 V HN 0.714 nan 8.190 nan 0.000 0.468 616 P HA 0.248 nan 4.420 nan 0.000 0.271 616 P C -2.598 174.454 177.300 -0.413 0.000 1.218 616 P CA -1.329 61.763 63.100 -0.014 0.000 0.780 616 P CB -0.077 31.605 31.700 -0.030 0.000 0.901 617 P HA 0.256 nan 4.420 nan 0.000 0.267 617 P C -0.824 175.462 177.300 -1.690 0.000 1.200 617 P CA 0.535 62.338 63.100 -2.162 0.000 0.772 617 P CB 0.381 30.972 31.700 -1.850 0.000 0.855 618 A N 2.133 123.946 122.820 -1.678 0.000 2.609 618 A HA 0.591 2.469 4.320 -4.071 0.000 0.291 618 A C -1.070 176.260 177.584 -0.423 0.000 1.096 618 A CA -0.715 50.887 52.037 -0.725 0.000 0.684 618 A CB 0.527 19.298 19.000 -0.382 0.000 1.282 618 A HN 0.373 nan 8.150 nan 0.000 0.412 619 I N 1.500 121.993 120.570 -0.128 0.000 2.574 619 I HA 0.235 1.963 4.170 -4.071 0.000 0.291 619 I C 0.929 177.080 176.117 0.057 0.000 1.131 619 I CA 0.410 61.709 61.300 -0.002 0.000 1.352 619 I CB -0.426 37.596 38.000 0.037 0.000 1.431 619 I HN 0.557 nan 8.210 nan 0.000 0.543 620 R N 4.819 125.404 120.500 0.140 0.000 2.265 620 R HA 0.768 2.666 4.340 -4.071 0.000 0.319 620 R C -0.681 175.728 176.300 0.182 0.000 1.006 620 R CA -0.432 55.796 56.100 0.212 0.000 0.880 620 R CB 1.110 31.661 30.300 0.418 0.000 1.077 620 R HN 0.621 nan 8.270 nan 0.000 0.454 621 S N 2.404 118.177 115.700 0.121 0.000 2.603 621 S HA 0.346 2.374 4.470 -4.071 0.000 0.274 621 S C -0.995 173.666 174.600 0.101 0.000 1.168 621 S CA -0.972 57.324 58.200 0.161 0.000 0.963 621 S CB 0.470 63.746 63.200 0.127 0.000 1.078 621 S HN 0.529 nan 8.310 nan 0.000 0.477 622 Y N 0.000 120.337 120.300 0.062 0.000 2.660 622 Y HA 0.000 2.106 4.550 -4.073 0.000 0.201 622 Y CA 0.000 58.126 58.100 0.044 0.000 1.940 622 Y CB 0.000 38.473 38.460 0.022 0.000 1.050 622 Y HN 0.000 nan 8.280 nan 0.000 0.758