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 1yq4_1_A DATA FIRST_RESID 8 DATA SEQUENCE ISTQYPVVDH EFDAVVVGAG GAGLRAAFGL SEAGFNTACV TKLFPTRSHT DATA SEQUENCE VAAQGGINAA LGNMEDDNWR WHFYDTVKGS DWLGDQDAIH YMTEQAPAAV DATA SEQUENCE IELENYGMPF SRTEEGKIYQ RAFGGQSLQF GKGGQAHRCC CVADRTGHSL DATA SEQUENCE LHTLYGRSLR YDTSYFVEYF ALDLLMENGE CRGVIALCIE DGTIHRFRAK DATA SEQUENCE NTVIATGGYG RTYFSCTSAH TSTGDGTAMV TRAGLPCQDL EFVQFHPTGI DATA SEQUENCE YGAGCLITEG CRGEGGILIN SQGERFMERY APVAKDLASR DVVSRSMTIE DATA SEQUENCE IREGRGCGPE KDHVYLQLHH LPPQQLATRL PGISETAMIF AGVDVTKEPI DATA SEQUENCE PVLPTVHYNM GGIPTNYKGQ VITHVNGEDK VVPGLYACGE AASASVHGAN DATA SEQUENCE RLGANSLLDL VVFGRACALT IAETCKPGEP VPSIKPNAGE ESVANLDKLR DATA SEQUENCE FADGTIRTSE ARLNMQKTMQ SHAAVFRTGS ILQEGCEKLS QIYRDLAHLK DATA SEQUENCE TFDRGIVWNT DLVETLELQN LMLCALQTIY GAEARKESRG AHAREDYKLR DATA SEQUENCE IDEFDYSKPL QGQQKRPFEE HWRKHTLSYV DVKSGKVTLK YRPVIDRTLN DATA SEQUENCE EEDCSSVPPA IRSY 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 8 I HA 0.000 nan 4.170 nan 0.000 0.288 8 I C 0.000 176.136 176.117 0.031 0.000 1.063 8 I CA 0.000 61.312 61.300 0.020 0.000 1.566 8 I CB 0.000 38.012 38.000 0.020 0.000 1.214 9 S N 0.174 115.893 115.700 0.031 0.000 2.968 9 S HA -0.012 4.458 4.470 -0.000 0.000 0.857 9 S C 0.022 174.662 174.600 0.067 0.000 0.949 9 S CA 1.000 59.224 58.200 0.039 0.000 1.383 9 S CB -0.847 62.374 63.200 0.035 0.000 0.988 9 S HN 2.398 nan 8.310 nan 0.000 0.236 10 T N 4.895 119.486 114.554 0.062 0.000 3.477 10 T HA 0.352 4.701 4.350 -0.000 0.000 0.347 10 T C 1.503 176.263 174.700 0.099 0.000 1.567 10 T CA 0.172 62.326 62.100 0.090 0.000 1.169 10 T CB -0.072 68.829 68.868 0.055 0.000 1.196 10 T HN 0.605 nan 8.240 nan 0.000 0.768 11 Q N 1.959 121.847 119.800 0.146 0.000 2.369 11 Q HA -0.005 4.335 4.340 -0.000 0.000 0.206 11 Q C -0.470 175.481 176.000 -0.081 0.000 0.963 11 Q CA 0.844 56.668 55.803 0.035 0.000 0.894 11 Q CB 0.074 28.840 28.738 0.047 0.000 0.965 11 Q HN 0.683 nan 8.270 nan 0.000 0.475 12 Y N 1.753 122.065 120.300 0.020 0.000 2.335 12 Y HA 0.329 4.879 4.550 -0.000 0.000 0.338 12 Y C -2.062 173.831 175.900 -0.013 0.000 0.977 12 Y CA -3.343 54.762 58.100 0.009 0.000 1.114 12 Y CB 0.977 39.444 38.460 0.011 0.000 1.182 12 Y HN -0.030 nan 8.280 nan 0.000 0.463 13 P HA 0.196 nan 4.420 nan 0.000 0.274 13 P C -0.928 176.369 177.300 -0.005 0.000 1.231 13 P CA -0.124 62.992 63.100 0.027 0.000 0.790 13 P CB 1.777 33.476 31.700 -0.001 0.000 0.951 14 V N 2.047 121.930 119.914 -0.051 0.000 2.604 14 V HA 0.342 4.462 4.120 -0.000 0.000 0.305 14 V C 0.129 176.114 176.094 -0.182 0.000 1.043 14 V CA -0.768 61.467 62.300 -0.110 0.000 0.888 14 V CB 2.171 33.958 31.823 -0.062 0.000 0.995 14 V HN 0.269 nan 8.190 nan 0.000 0.429 15 V N 3.073 122.799 119.914 -0.314 0.000 2.409 15 V HA 0.454 4.574 4.120 -0.000 0.000 0.291 15 V C -0.593 175.260 176.094 -0.403 0.000 1.020 15 V CA -0.578 61.517 62.300 -0.341 0.000 0.848 15 V CB 1.750 33.360 31.823 -0.355 0.000 0.990 15 V HN 0.841 nan 8.190 nan 0.000 0.430 16 D N 3.243 123.408 120.400 -0.391 0.000 2.177 16 D HA 0.445 5.085 4.640 -0.000 0.000 0.247 16 D C -0.601 175.365 176.300 -0.556 0.000 1.063 16 D CA -0.213 53.569 54.000 -0.364 0.000 0.867 16 D CB 1.220 41.911 40.800 -0.181 0.000 1.168 16 D HN 0.555 nan 8.370 nan 0.000 0.445 17 H N 0.966 119.920 119.070 -0.194 0.000 2.679 17 H HA 0.414 4.970 4.556 -0.000 0.000 0.367 17 H C -0.475 174.811 175.328 -0.071 0.000 1.162 17 H CA -0.514 55.441 56.048 -0.155 0.000 1.181 17 H CB 2.104 31.765 29.762 -0.168 0.000 1.693 17 H HN 0.328 nan 8.280 nan 0.000 0.538 18 E N 1.802 121.951 120.200 -0.085 0.000 2.241 18 E HA 0.369 4.719 4.350 -0.000 0.000 0.263 18 E C -1.230 175.204 176.600 -0.276 0.000 0.882 18 E CA -0.324 56.039 56.400 -0.062 0.000 0.769 18 E CB 1.733 31.386 29.700 -0.079 0.000 1.185 18 E HN 0.262 nan 8.360 nan 0.000 0.415 19 F N 0.459 120.469 119.950 0.100 0.000 2.640 19 F HA 0.261 4.788 4.527 -0.000 0.000 0.324 19 F C 1.173 177.025 175.800 0.088 0.000 1.077 19 F CA -0.760 57.298 58.000 0.098 0.000 0.965 19 F CB 1.353 40.412 39.000 0.098 0.000 1.351 19 F HN 0.335 nan 8.300 nan 0.000 0.487 20 D N 0.520 121.113 120.400 0.322 0.000 2.149 20 D HA 0.165 4.805 4.640 -0.000 0.000 0.201 20 D C 0.178 176.617 176.300 0.230 0.000 0.972 20 D CA 1.135 55.297 54.000 0.270 0.000 0.835 20 D CB 0.223 41.239 40.800 0.360 0.000 0.966 20 D HN 0.397 nan 8.370 nan 0.000 0.476 21 A N -0.117 122.821 122.820 0.197 0.000 2.515 21 A HA 0.565 4.885 4.320 -0.000 0.000 0.298 21 A C -1.245 176.286 177.584 -0.088 0.000 1.059 21 A CA -0.527 51.518 52.037 0.014 0.000 0.698 21 A CB 2.111 21.033 19.000 -0.130 0.000 1.289 21 A HN -0.107 nan 8.150 nan 0.000 0.404 22 V N 2.313 122.140 119.914 -0.146 0.000 2.407 22 V HA 0.452 4.572 4.120 -0.000 0.000 0.291 22 V C -0.510 175.424 176.094 -0.267 0.000 1.018 22 V CA -0.470 61.670 62.300 -0.268 0.000 0.842 22 V CB 1.519 33.217 31.823 -0.209 0.000 0.996 22 V HN 0.712 nan 8.190 nan 0.000 0.426 23 V N 5.889 125.612 119.914 -0.319 0.000 2.427 23 V HA 0.504 4.624 4.120 -0.000 0.000 0.286 23 V C -0.176 175.757 176.094 -0.268 0.000 1.034 23 V CA -0.572 61.572 62.300 -0.261 0.000 0.893 23 V CB 1.988 33.661 31.823 -0.251 0.000 0.982 23 V HN 0.571 nan 8.190 nan 0.000 0.452 24 V N 3.896 123.684 119.914 -0.210 0.000 2.350 24 V HA 0.928 5.048 4.120 -0.000 0.000 0.285 24 V C 0.385 176.391 176.094 -0.146 0.000 1.014 24 V CA 0.255 62.431 62.300 -0.206 0.000 0.831 24 V CB 0.836 32.539 31.823 -0.201 0.000 1.000 24 V HN 1.305 nan 8.190 nan 0.000 0.433 25 G N 3.937 112.662 108.800 -0.125 0.000 2.697 25 G HA2 0.453 4.412 3.960 -0.000 0.000 0.684 25 G HA3 0.453 4.412 3.960 -0.000 0.000 0.684 25 G C -0.384 174.487 174.900 -0.049 0.000 1.274 25 G CA -0.118 44.937 45.100 -0.075 0.000 0.806 25 G HN 1.504 nan 8.290 nan 0.000 0.644 26 A N 0.876 123.684 122.820 -0.019 0.000 2.674 26 A HA 0.809 5.129 4.320 -0.000 0.000 0.286 26 A C 1.162 178.745 177.584 -0.003 0.000 0.980 26 A CA 1.120 53.162 52.037 0.009 0.000 1.028 26 A CB -0.096 18.928 19.000 0.039 0.000 1.199 26 A HN 2.162 nan 8.150 nan 0.000 0.499 27 G N -0.623 108.177 108.800 -0.001 0.000 2.504 27 G HA2 0.407 4.366 3.960 -0.000 0.000 0.257 27 G HA3 0.407 4.366 3.960 -0.000 0.000 0.257 27 G C 1.170 176.079 174.900 0.014 0.000 1.451 27 G CA 0.214 45.317 45.100 0.004 0.000 1.059 27 G HN 0.620 nan 8.290 nan 0.000 0.550 28 G N -0.470 108.344 108.800 0.023 0.000 2.432 28 G HA2 0.076 4.036 3.960 -0.000 0.000 0.219 28 G HA3 0.076 4.036 3.960 -0.000 0.000 0.219 28 G C 1.813 176.733 174.900 0.033 0.000 1.135 28 G CA 1.835 46.957 45.100 0.037 0.000 0.767 28 G HN 0.845 nan 8.290 nan 0.000 0.550 29 A N 0.773 123.609 122.820 0.028 0.000 1.855 29 A HA 0.304 4.624 4.320 -0.000 0.000 0.213 29 A C 2.705 180.269 177.584 -0.034 0.000 1.195 29 A CA 1.799 53.844 52.037 0.014 0.000 0.610 29 A CB -1.049 17.976 19.000 0.042 0.000 0.837 29 A HN 0.453 nan 8.150 nan 0.000 0.444 30 G N 0.149 108.931 108.800 -0.030 0.000 2.459 30 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 30 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 30 G C 1.581 176.444 174.900 -0.061 0.000 1.183 30 G CA 1.132 46.196 45.100 -0.060 0.000 0.776 30 G HN 0.398 nan 8.290 nan 0.000 0.552 31 L N -0.201 121.026 121.223 0.006 0.000 1.990 31 L HA -0.129 4.211 4.340 -0.000 0.000 0.213 31 L C 2.942 179.757 176.870 -0.092 0.000 1.072 31 L CA 1.615 56.503 54.840 0.081 0.000 0.755 31 L CB -0.363 41.801 42.059 0.174 0.000 0.889 31 L HN 0.163 nan 8.230 nan 0.000 0.432 32 R N 0.341 120.734 120.500 -0.178 0.000 2.120 32 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 32 R C 2.132 178.089 176.300 -0.572 0.000 1.123 32 R CA 1.594 57.404 56.100 -0.484 0.000 0.975 32 R CB -0.514 29.656 30.300 -0.216 0.000 0.866 32 R HN 0.373 nan 8.270 nan 0.000 0.446 33 A N -0.072 122.547 122.820 -0.336 0.000 1.872 33 A HA 0.057 4.377 4.320 -0.000 0.000 0.214 33 A C 2.344 179.721 177.584 -0.346 0.000 1.187 33 A CA 1.475 53.325 52.037 -0.312 0.000 0.614 33 A CB -1.003 17.864 19.000 -0.222 0.000 0.826 33 A HN 0.446 nan 8.150 nan 0.000 0.442 34 A N 0.007 122.657 122.820 -0.284 0.000 1.858 34 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 34 A C 1.976 179.449 177.584 -0.184 0.000 1.190 34 A CA 1.729 53.627 52.037 -0.233 0.000 0.617 34 A CB -0.913 17.971 19.000 -0.193 0.000 0.827 34 A HN 1.066 nan 8.150 nan 0.000 0.443 35 F N -0.159 119.693 119.950 -0.163 0.000 2.615 35 F HA 0.301 4.828 4.527 -0.000 0.000 0.297 35 F C 1.890 177.439 175.800 -0.419 0.000 1.124 35 F CA 0.324 58.145 58.000 -0.298 0.000 1.451 35 F CB -1.072 37.790 39.000 -0.230 0.000 1.103 35 F HN 0.081 nan 8.300 nan 0.000 0.569 36 G N 1.799 110.227 108.800 -0.621 0.000 2.418 36 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 36 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 36 G C 1.684 176.428 174.900 -0.260 0.000 1.158 36 G CA 1.198 46.045 45.100 -0.422 0.000 0.771 36 G HN 0.455 nan 8.290 nan 0.000 0.545 37 L N 0.524 121.587 121.223 -0.267 0.000 2.005 37 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 37 L C 3.237 180.107 176.870 0.000 0.000 1.072 37 L CA 1.308 56.023 54.840 -0.208 0.000 0.744 37 L CB -0.448 41.432 42.059 -0.298 0.000 0.895 37 L HN 0.157 nan 8.230 nan 0.000 0.433 38 S N -0.652 115.025 115.700 -0.039 0.000 2.374 38 S HA -0.282 4.187 4.470 -0.000 0.000 0.227 38 S C 1.894 176.493 174.600 -0.002 0.000 1.037 38 S CA 1.639 59.857 58.200 0.031 0.000 1.024 38 S CB -0.309 62.917 63.200 0.044 0.000 0.861 38 S HN 0.412 nan 8.310 nan 0.000 0.456 39 E N 0.979 121.052 120.200 -0.211 0.000 2.085 39 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 39 E C 1.644 178.261 176.600 0.029 0.000 0.994 39 E CA 1.126 57.423 56.400 -0.172 0.000 0.801 39 E CB -0.186 29.344 29.700 -0.283 0.000 0.743 39 E HN 0.496 nan 8.360 nan 0.000 0.453 40 A N -0.461 122.399 122.820 0.067 0.000 2.276 40 A HA 0.265 4.585 4.320 -0.000 0.000 0.212 40 A C 1.498 179.194 177.584 0.187 0.000 1.230 40 A CA 0.960 53.092 52.037 0.157 0.000 0.844 40 A CB -0.310 18.817 19.000 0.212 0.000 0.860 40 A HN 0.488 nan 8.150 nan 0.000 0.486 41 G N -1.852 107.029 108.800 0.135 0.000 2.194 41 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.236 41 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.236 41 G C -0.031 174.853 174.900 -0.026 0.000 0.987 41 G CA -0.023 45.086 45.100 0.015 0.000 0.635 41 G HN 0.334 nan 8.290 nan 0.000 0.520 42 F N 1.863 121.810 119.950 -0.005 0.000 2.456 42 F HA 0.332 4.859 4.527 -0.000 0.000 0.358 42 F C 0.999 176.826 175.800 0.045 0.000 1.095 42 F CA -0.730 57.275 58.000 0.009 0.000 1.216 42 F CB 0.698 39.684 39.000 -0.023 0.000 1.125 42 F HN 0.153 nan 8.300 nan 0.000 0.549 43 N N 2.476 121.317 118.700 0.236 0.000 2.400 43 N HA 0.043 4.782 4.740 -0.000 0.000 0.267 43 N C -0.954 174.782 175.510 0.376 0.000 1.208 43 N CA -0.091 53.117 53.050 0.262 0.000 0.951 43 N CB 0.242 38.849 38.487 0.199 0.000 1.227 43 N HN 0.580 nan 8.380 nan 0.000 0.488 44 T N 2.085 116.787 114.554 0.246 0.000 2.824 44 T HA 0.558 4.908 4.350 -0.000 0.000 0.280 44 T C -0.330 174.218 174.700 -0.254 0.000 0.995 44 T CA -0.598 61.517 62.100 0.023 0.000 1.009 44 T CB 1.666 70.491 68.868 -0.072 0.000 0.955 44 T HN 0.561 nan 8.240 nan 0.000 0.452 45 A N 1.218 123.630 122.820 -0.680 0.000 2.337 45 A HA 0.687 5.007 4.320 -0.000 0.000 0.329 45 A C -0.308 176.906 177.584 -0.617 0.000 1.146 45 A CA -0.724 50.764 52.037 -0.915 0.000 0.800 45 A CB 0.865 18.783 19.000 -1.803 0.000 1.220 45 A HN 0.965 nan 8.150 nan 0.000 0.472 46 C N 3.023 121.994 119.300 -0.547 0.000 2.322 46 C HA 0.694 5.154 4.460 -0.000 0.000 0.324 46 C C -0.806 173.989 174.990 -0.324 0.000 1.249 46 C CA -0.274 58.459 59.018 -0.474 0.000 1.453 46 C CB -0.273 27.103 27.740 -0.607 0.000 2.145 46 C HN 0.688 nan 8.230 nan 0.000 0.466 47 V N 5.986 125.680 119.914 -0.366 0.000 2.384 47 V HA 0.732 4.852 4.120 -0.000 0.000 0.287 47 V C 0.362 176.349 176.094 -0.178 0.000 1.020 47 V CA 0.011 62.096 62.300 -0.358 0.000 0.850 47 V CB 1.550 32.980 31.823 -0.656 0.000 0.987 47 V HN 0.959 nan 8.190 nan 0.000 0.436 48 T N 3.079 117.605 114.554 -0.048 0.000 2.916 48 T HA 0.384 4.734 4.350 -0.000 0.000 0.305 48 T C 0.623 175.380 174.700 0.095 0.000 1.119 48 T CA -0.576 61.528 62.100 0.006 0.000 1.008 48 T CB 1.867 70.748 68.868 0.021 0.000 1.129 48 T HN 0.803 nan 8.240 nan 0.000 0.480 49 K N 2.997 123.452 120.400 0.091 0.000 2.418 49 K HA 0.315 4.635 4.320 -0.000 0.000 0.195 49 K C 0.364 177.064 176.600 0.167 0.000 1.035 49 K CA 0.211 56.596 56.287 0.163 0.000 1.003 49 K CB 0.102 32.736 32.500 0.223 0.000 0.793 49 K HN 0.407 nan 8.250 nan 0.000 0.494 50 L N 0.948 122.257 121.223 0.143 0.000 2.323 50 L HA 0.404 4.743 4.340 -0.000 0.000 0.265 50 L C -0.540 176.427 176.870 0.162 0.000 1.012 50 L CA -1.571 53.372 54.840 0.172 0.000 0.820 50 L CB 1.388 43.527 42.059 0.133 0.000 1.334 50 L HN -0.072 nan 8.230 nan 0.000 0.427 51 F N 3.308 123.307 119.950 0.081 0.000 2.538 51 F HA 0.202 4.729 4.527 -0.000 0.000 0.371 51 F C -1.536 174.235 175.800 -0.048 0.000 1.087 51 F CA -1.521 56.489 58.000 0.016 0.000 1.250 51 F CB 0.799 39.789 39.000 -0.017 0.000 1.110 51 F HN 0.313 nan 8.300 nan 0.000 0.570 52 P HA -0.299 nan 4.420 nan 0.000 0.222 52 P C 1.436 178.472 177.300 -0.441 0.000 1.157 52 P CA 3.209 65.971 63.100 -0.564 0.000 0.905 52 P CB -0.285 31.062 31.700 -0.589 0.000 0.792 53 T N -4.235 109.982 114.554 -0.562 0.000 3.118 53 T HA 0.017 4.367 4.350 -0.000 0.000 0.260 53 T C 1.494 176.155 174.700 -0.064 0.000 1.139 53 T CA 0.383 62.282 62.100 -0.334 0.000 1.085 53 T CB -0.470 68.189 68.868 -0.349 0.000 0.934 53 T HN 0.004 nan 8.240 nan 0.000 0.518 54 R N 1.555 122.075 120.500 0.033 0.000 2.275 54 R HA 0.277 4.617 4.340 -0.000 0.000 0.199 54 R C 0.876 177.221 176.300 0.076 0.000 0.989 54 R CA -0.003 56.158 56.100 0.102 0.000 1.016 54 R CB -0.629 29.770 30.300 0.164 0.000 0.918 54 R HN 0.375 nan 8.270 nan 0.000 0.473 55 S N 1.224 116.940 115.700 0.027 0.000 2.558 55 S HA -0.089 4.381 4.470 -0.000 0.000 0.291 55 S C 1.173 175.817 174.600 0.073 0.000 1.306 55 S CA -0.062 58.166 58.200 0.046 0.000 1.056 55 S CB 0.552 63.754 63.200 0.004 0.000 0.836 55 S HN 0.395 nan 8.310 nan 0.000 0.504 56 H N 2.882 121.956 119.070 0.007 0.000 2.460 56 H HA -0.118 4.438 4.556 -0.000 0.000 0.297 56 H C 1.891 177.222 175.328 0.003 0.000 1.103 56 H CA 2.405 58.453 56.048 -0.000 0.000 1.292 56 H CB -0.473 29.275 29.762 -0.023 0.000 1.376 56 H HN 0.657 nan 8.280 nan 0.000 0.531 57 T N -0.664 113.879 114.554 -0.017 0.000 2.699 57 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 57 T C 2.094 176.743 174.700 -0.085 0.000 1.036 57 T CA 1.376 63.442 62.100 -0.057 0.000 1.147 57 T CB -0.788 68.075 68.868 -0.009 0.000 0.862 57 T HN 0.287 nan 8.240 nan 0.000 0.446 58 V N 0.999 120.878 119.914 -0.057 0.000 3.140 58 V HA -0.006 4.114 4.120 -0.000 0.000 0.269 58 V C 2.038 178.140 176.094 0.013 0.000 1.149 58 V CA 1.468 63.771 62.300 0.006 0.000 1.162 58 V CB -0.796 31.057 31.823 0.050 0.000 0.756 58 V HN 0.538 nan 8.190 nan 0.000 0.523 59 A N -0.662 122.076 122.820 -0.136 0.000 2.303 59 A HA 0.689 5.009 4.320 -0.000 0.000 0.217 59 A C 1.263 178.762 177.584 -0.140 0.000 1.205 59 A CA 0.564 52.503 52.037 -0.162 0.000 0.875 59 A CB -0.181 18.621 19.000 -0.330 0.000 0.910 59 A HN 0.777 nan 8.150 nan 0.000 0.501 60 A N -0.020 122.725 122.820 -0.126 0.000 2.531 60 A HA 0.368 4.688 4.320 -0.000 0.000 0.236 60 A C 0.779 178.375 177.584 0.020 0.000 1.062 60 A CA 0.427 52.439 52.037 -0.042 0.000 0.760 60 A CB 0.175 19.159 19.000 -0.026 0.000 0.995 60 A HN 0.600 nan 8.150 nan 0.000 0.501 61 Q N 2.172 122.008 119.800 0.060 0.000 2.642 61 Q HA 0.125 4.465 4.340 -0.000 0.000 0.202 61 Q C 2.176 178.258 176.000 0.136 0.000 0.845 61 Q CA 0.485 56.340 55.803 0.087 0.000 0.873 61 Q CB -0.132 28.653 28.738 0.078 0.000 1.190 61 Q HN 0.860 nan 8.270 nan 0.000 0.642 62 G N 0.645 109.582 108.800 0.229 0.000 2.469 62 G HA2 0.113 4.073 3.960 -0.000 0.000 0.219 62 G HA3 0.113 4.073 3.960 -0.000 0.000 0.219 62 G C 0.629 175.603 174.900 0.123 0.000 1.150 62 G CA 1.069 46.390 45.100 0.367 0.000 0.763 62 G HN 0.535 nan 8.290 nan 0.000 0.561 63 G N -1.410 107.353 108.800 -0.063 0.000 2.350 63 G HA2 0.336 4.296 3.960 -0.000 0.000 0.276 63 G HA3 0.336 4.296 3.960 -0.000 0.000 0.276 63 G C -1.767 173.043 174.900 -0.149 0.000 1.313 63 G CA -0.247 44.796 45.100 -0.095 0.000 0.903 63 G HN 0.834 nan 8.290 nan 0.000 0.490 64 I N 0.691 121.206 120.570 -0.093 0.000 2.571 64 I HA 0.376 4.545 4.170 -0.000 0.000 0.286 64 I C -1.072 174.997 176.117 -0.081 0.000 1.134 64 I CA -0.967 60.298 61.300 -0.057 0.000 1.052 64 I CB 1.589 39.623 38.000 0.057 0.000 1.237 64 I HN 0.481 nan 8.210 nan 0.000 0.435 65 N N 5.941 124.575 118.700 -0.109 0.000 2.508 65 N HA 0.641 5.381 4.740 -0.000 0.000 0.264 65 N C -0.598 174.863 175.510 -0.080 0.000 1.216 65 N CA 0.062 53.015 53.050 -0.162 0.000 0.943 65 N CB 1.701 40.048 38.487 -0.232 0.000 1.113 65 N HN 0.712 nan 8.380 nan 0.000 0.447 66 A N 0.128 122.843 122.820 -0.175 0.000 2.572 66 A HA 0.542 4.862 4.320 -0.000 0.000 0.303 66 A C -0.843 176.686 177.584 -0.092 0.000 1.059 66 A CA -0.738 51.261 52.037 -0.063 0.000 0.788 66 A CB 0.319 19.277 19.000 -0.071 0.000 1.282 66 A HN 0.604 nan 8.150 nan 0.000 0.397 67 A N 2.562 125.382 122.820 -0.001 0.000 2.981 67 A HA 0.505 4.825 4.320 -0.000 0.000 0.280 67 A C 0.776 178.339 177.584 -0.035 0.000 1.743 67 A CA -0.013 52.019 52.037 -0.009 0.000 1.430 67 A CB -0.929 18.112 19.000 0.068 0.000 1.085 67 A HN 0.918 nan 8.150 nan 0.000 0.597 68 L N 1.221 122.403 121.223 -0.069 0.000 2.249 68 L HA 0.174 4.514 4.340 -0.000 0.000 0.207 68 L C 1.805 178.636 176.870 -0.064 0.000 1.090 68 L CA 0.874 55.667 54.840 -0.079 0.000 0.802 68 L CB -0.117 41.872 42.059 -0.117 0.000 0.947 68 L HN 0.847 nan 8.230 nan 0.000 0.453 69 G N 0.664 109.431 108.800 -0.054 0.000 2.182 69 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.248 69 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.248 69 G C 0.414 175.294 174.900 -0.034 0.000 1.042 69 G CA 0.405 45.485 45.100 -0.033 0.000 0.775 69 G HN 0.345 nan 8.290 nan 0.000 0.501 70 N N -0.472 118.199 118.700 -0.049 0.000 2.424 70 N HA 0.082 4.822 4.740 -0.000 0.000 0.178 70 N C 2.088 177.580 175.510 -0.030 0.000 1.060 70 N CA 1.032 54.056 53.050 -0.042 0.000 0.901 70 N CB -0.043 38.409 38.487 -0.058 0.000 0.979 70 N HN 0.437 nan 8.380 nan 0.000 0.451 71 M N 0.031 119.610 119.600 -0.034 0.000 2.657 71 M HA 0.164 4.643 4.480 -0.000 0.000 0.262 71 M C 0.597 176.875 176.300 -0.037 0.000 1.213 71 M CA 0.803 56.075 55.300 -0.047 0.000 1.182 71 M CB -0.095 32.462 32.600 -0.071 0.000 1.303 71 M HN 0.096 nan 8.290 nan 0.000 0.501 72 E N -0.249 119.953 120.200 0.004 0.000 2.447 72 E HA 0.239 4.589 4.350 -0.000 0.000 0.279 72 E C -1.688 174.946 176.600 0.057 0.000 1.053 72 E CA -0.559 55.860 56.400 0.031 0.000 0.840 72 E CB 0.952 30.685 29.700 0.056 0.000 1.409 72 E HN -0.107 nan 8.360 nan 0.000 0.461 73 D N 0.953 121.400 120.400 0.079 0.000 2.424 73 D HA 0.351 4.991 4.640 -0.000 0.000 0.244 73 D C -0.597 175.777 176.300 0.123 0.000 1.134 73 D CA 0.673 54.717 54.000 0.072 0.000 0.881 73 D CB 0.810 41.659 40.800 0.083 0.000 1.191 73 D HN 0.314 nan 8.370 nan 0.000 0.445 74 D N 0.324 120.699 120.400 -0.041 0.000 2.614 74 D HA 0.396 5.036 4.640 -0.000 0.000 0.264 74 D C -1.185 174.711 176.300 -0.673 0.000 1.092 74 D CA -0.623 53.285 54.000 -0.155 0.000 1.071 74 D CB 1.439 42.218 40.800 -0.035 0.000 1.443 74 D HN 0.125 nan 8.370 nan 0.000 0.528 75 N N 1.088 119.230 118.700 -0.931 0.000 2.542 75 N HA 0.053 4.793 4.740 -0.000 0.000 0.288 75 N C 0.880 176.038 175.510 -0.588 0.000 1.115 75 N CA -0.599 51.772 53.050 -1.133 0.000 0.924 75 N CB 0.794 37.841 38.487 -2.400 0.000 1.526 75 N HN 0.624 nan 8.380 nan 0.000 0.515 76 W N 4.498 125.622 121.300 -0.293 0.000 2.364 76 W HA -0.114 4.546 4.660 -0.000 0.000 0.281 76 W C 0.647 177.162 176.519 -0.007 0.000 1.219 76 W CA 0.378 57.678 57.345 -0.073 0.000 1.220 76 W CB -0.392 29.033 29.460 -0.059 0.000 1.127 76 W HN 0.433 nan 8.180 nan 0.000 0.556 77 R N -0.365 119.642 120.500 -0.822 0.000 2.115 77 R HA -0.141 4.199 4.340 -0.000 0.000 0.230 77 R C 2.045 178.330 176.300 -0.026 0.000 1.111 77 R CA 1.964 57.678 56.100 -0.644 0.000 0.976 77 R CB -0.726 29.092 30.300 -0.804 0.000 0.870 77 R HN 0.152 nan 8.270 nan 0.000 0.445 78 W N 0.202 121.287 121.300 -0.357 0.000 2.402 78 W HA -0.081 4.578 4.660 -0.000 0.000 0.286 78 W C 1.993 178.546 176.519 0.057 0.000 1.221 78 W CA 0.537 57.644 57.345 -0.396 0.000 1.257 78 W CB -1.144 28.064 29.460 -0.420 0.000 1.120 78 W HN 0.342 nan 8.180 nan 0.000 0.551 79 H N -1.361 117.858 119.070 0.248 0.000 2.395 79 H HA -0.189 4.367 4.556 -0.000 0.000 0.299 79 H C 2.220 177.706 175.328 0.264 0.000 1.070 79 H CA 1.447 57.634 56.048 0.231 0.000 1.356 79 H CB -0.381 29.507 29.762 0.211 0.000 1.401 79 H HN 0.018 nan 8.280 nan 0.000 0.524 80 F N 0.802 120.872 119.950 0.199 0.000 2.102 80 F HA -0.274 4.253 4.527 -0.000 0.000 0.298 80 F C 2.259 178.152 175.800 0.155 0.000 1.105 80 F CA 1.710 59.795 58.000 0.141 0.000 1.239 80 F CB -0.887 38.236 39.000 0.206 0.000 0.991 80 F HN 0.197 nan 8.300 nan 0.000 0.474 81 Y N 1.376 121.727 120.300 0.085 0.000 2.200 81 Y HA -0.195 4.355 4.550 -0.000 0.000 0.290 81 Y C 2.224 178.071 175.900 -0.090 0.000 1.137 81 Y CA 2.082 60.174 58.100 -0.014 0.000 1.163 81 Y CB -0.770 37.880 38.460 0.316 0.000 0.988 81 Y HN 0.079 nan 8.280 nan 0.000 0.518 82 D N -0.658 119.800 120.400 0.098 0.000 2.123 82 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 82 D C 2.075 178.296 176.300 -0.131 0.000 0.992 82 D CA 2.041 56.057 54.000 0.027 0.000 0.833 82 D CB -0.481 40.446 40.800 0.212 0.000 0.954 82 D HN 0.406 nan 8.370 nan 0.000 0.455 83 T N 0.501 114.966 114.554 -0.148 0.000 2.777 83 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 83 T C 2.304 176.769 174.700 -0.391 0.000 1.040 83 T CA 0.485 62.464 62.100 -0.200 0.000 1.141 83 T CB -0.347 68.409 68.868 -0.186 0.000 0.868 83 T HN -0.036 nan 8.240 nan 0.000 0.444 84 V N 1.733 121.274 119.914 -0.622 0.000 2.295 84 V HA -0.188 3.931 4.120 -0.000 0.000 0.246 84 V C 2.567 178.022 176.094 -1.066 0.000 1.049 84 V CA 1.805 63.620 62.300 -0.807 0.000 1.024 84 V CB -0.492 30.778 31.823 -0.921 0.000 0.648 84 V HN 0.453 nan 8.190 nan 0.000 0.447 85 K N -0.017 119.760 120.400 -1.039 0.000 2.097 85 K HA -0.126 4.194 4.320 -0.000 0.000 0.205 85 K C 2.132 178.379 176.600 -0.589 0.000 1.050 85 K CA 1.580 57.217 56.287 -1.085 0.000 0.938 85 K CB -0.585 31.458 32.500 -0.761 0.000 0.718 85 K HN 0.479 nan 8.250 nan 0.000 0.442 86 G N 0.615 109.217 108.800 -0.331 0.000 2.440 86 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 86 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 86 G C 1.454 176.271 174.900 -0.139 0.000 1.154 86 G CA 1.171 46.211 45.100 -0.101 0.000 0.767 86 G HN 0.510 nan 8.290 nan 0.000 0.552 87 S N -0.041 115.505 115.700 -0.258 0.000 2.595 87 S HA -0.018 4.452 4.470 -0.000 0.000 0.235 87 S C 1.092 175.578 174.600 -0.190 0.000 0.974 87 S CA 1.150 59.231 58.200 -0.197 0.000 0.942 87 S CB -0.143 62.921 63.200 -0.227 0.000 0.766 87 S HN 0.347 nan 8.310 nan 0.000 0.536 88 D N 0.257 120.512 120.400 -0.241 0.000 2.772 88 D HA -0.203 4.437 4.640 -0.000 0.000 0.233 88 D C -0.323 176.063 176.300 0.143 0.000 1.143 88 D CA 1.067 55.069 54.000 0.002 0.000 0.700 88 D CB -1.984 38.895 40.800 0.132 0.000 1.076 88 D HN 0.690 nan 8.370 nan 0.000 0.430 89 W N -2.563 118.690 121.300 -0.079 0.000 3.520 89 W HA -0.318 4.342 4.660 -0.000 0.000 0.305 89 W C 1.209 177.676 176.519 -0.086 0.000 1.150 89 W CA 0.742 58.033 57.345 -0.090 0.000 0.656 89 W CB -2.044 27.352 29.460 -0.106 0.000 2.198 89 W HN 0.338 nan 8.180 nan 0.000 1.417 90 L N 0.248 121.442 121.223 -0.048 0.000 2.607 90 L HA 0.467 4.807 4.340 -0.000 0.000 0.228 90 L C 1.268 178.110 176.870 -0.046 0.000 1.123 90 L CA 1.404 56.173 54.840 -0.119 0.000 0.890 90 L CB -0.159 41.745 42.059 -0.259 0.000 1.103 90 L HN -0.048 nan 8.230 nan 0.000 0.468 91 G N -0.298 108.467 108.800 -0.059 0.000 2.356 91 G HA2 0.268 4.228 3.960 -0.000 0.000 0.298 91 G HA3 0.268 4.228 3.960 -0.000 0.000 0.298 91 G C -0.944 173.986 174.900 0.049 0.000 1.145 91 G CA -0.547 44.546 45.100 -0.012 0.000 0.850 91 G HN 0.131 nan 8.290 nan 0.000 0.487 92 D N 2.098 122.566 120.400 0.113 0.000 2.346 92 D HA 0.034 4.674 4.640 -0.000 0.000 0.260 92 D C 1.340 177.725 176.300 0.142 0.000 1.252 92 D CA 0.279 54.367 54.000 0.146 0.000 0.895 92 D CB 1.644 42.525 40.800 0.134 0.000 1.097 92 D HN 0.490 nan 8.370 nan 0.000 0.489 93 Q N 1.288 121.200 119.800 0.186 0.000 2.364 93 Q HA -0.125 4.215 4.340 -0.000 0.000 0.207 93 Q C 1.315 177.548 176.000 0.388 0.000 0.970 93 Q CA 0.740 56.731 55.803 0.313 0.000 0.888 93 Q CB 0.294 29.260 28.738 0.380 0.000 0.951 93 Q HN 0.532 nan 8.270 nan 0.000 0.469 94 D N 0.462 121.003 120.400 0.236 0.000 2.103 94 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 94 D C 1.746 178.118 176.300 0.120 0.000 0.978 94 D CA 1.263 55.325 54.000 0.104 0.000 0.829 94 D CB -0.336 40.472 40.800 0.013 0.000 0.981 94 D HN 0.139 nan 8.370 nan 0.000 0.464 95 A N 1.340 124.296 122.820 0.226 0.000 1.858 95 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 95 A C 2.594 180.429 177.584 0.420 0.000 1.190 95 A CA 1.395 53.639 52.037 0.346 0.000 0.617 95 A CB -0.922 18.157 19.000 0.132 0.000 0.827 95 A HN 0.269 nan 8.150 nan 0.000 0.443 96 I N -1.178 119.579 120.570 0.312 0.000 2.361 96 I HA -0.291 3.879 4.170 -0.000 0.000 0.251 96 I C 2.479 178.916 176.117 0.532 0.000 1.133 96 I CA 1.787 63.273 61.300 0.309 0.000 1.413 96 I CB -0.617 37.464 38.000 0.136 0.000 1.073 96 I HN 0.632 nan 8.210 nan 0.000 0.424 97 H N 0.154 119.499 119.070 0.458 0.000 2.293 97 H HA -0.292 4.264 4.556 -0.000 0.000 0.300 97 H C 2.465 177.828 175.328 0.059 0.000 1.082 97 H CA 1.969 58.180 56.048 0.273 0.000 1.308 97 H CB -0.184 29.603 29.762 0.043 0.000 1.375 97 H HN 0.290 nan 8.280 nan 0.000 0.495 98 Y N 0.912 121.239 120.300 0.046 0.000 2.081 98 Y HA -0.364 4.186 4.550 -0.000 0.000 0.280 98 Y C 2.951 178.775 175.900 -0.126 0.000 1.163 98 Y CA 2.215 60.233 58.100 -0.136 0.000 1.135 98 Y CB -0.346 38.093 38.460 -0.034 0.000 0.970 98 Y HN 0.327 nan 8.280 nan 0.000 0.498 99 M N -0.324 119.368 119.600 0.152 0.000 2.065 99 M HA -0.236 4.243 4.480 -0.000 0.000 0.259 99 M C 2.155 178.381 176.300 -0.125 0.000 1.069 99 M CA 2.881 58.169 55.300 -0.020 0.000 1.110 99 M CB -0.496 32.255 32.600 0.251 0.000 1.328 99 M HN 0.455 nan 8.290 nan 0.000 0.405 100 T N -2.532 112.002 114.554 -0.032 0.000 2.951 100 T HA -0.120 4.229 4.350 -0.000 0.000 0.268 100 T C 1.625 176.239 174.700 -0.143 0.000 1.073 100 T CA 1.435 63.510 62.100 -0.041 0.000 1.134 100 T CB -0.511 68.402 68.868 0.074 0.000 0.884 100 T HN 0.663 nan 8.240 nan 0.000 0.479 101 E N 0.249 120.107 120.200 -0.569 0.000 2.158 101 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 101 E C 2.171 178.301 176.600 -0.784 0.000 0.982 101 E CA 0.472 56.076 56.400 -1.326 0.000 0.823 101 E CB 0.033 28.617 29.700 -1.859 0.000 0.766 101 E HN 0.350 nan 8.360 nan 0.000 0.468 102 Q N -0.030 119.386 119.800 -0.639 0.000 2.311 102 Q HA 0.021 4.361 4.340 -0.000 0.000 0.203 102 Q C 1.955 177.757 176.000 -0.330 0.000 0.954 102 Q CA 0.849 56.327 55.803 -0.543 0.000 0.885 102 Q CB -0.056 28.242 28.738 -0.733 0.000 0.963 102 Q HN 0.327 nan 8.270 nan 0.000 0.471 103 A N 2.163 124.845 122.820 -0.231 0.000 1.870 103 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 103 A C -0.399 177.123 177.584 -0.103 0.000 1.224 103 A CA 1.993 53.971 52.037 -0.098 0.000 0.650 103 A CB -1.820 17.215 19.000 0.057 0.000 0.836 103 A HN 0.274 nan 8.150 nan 0.000 0.454 104 P HA -0.201 nan 4.420 nan 0.000 0.215 104 P C 1.811 179.035 177.300 -0.127 0.000 1.163 104 P CA 2.314 65.350 63.100 -0.106 0.000 0.894 104 P CB -0.197 31.448 31.700 -0.092 0.000 0.791 105 A N -0.314 122.414 122.820 -0.153 0.000 1.902 105 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 105 A C 2.335 179.833 177.584 -0.144 0.000 1.181 105 A CA 2.231 54.180 52.037 -0.147 0.000 0.623 105 A CB -1.670 17.229 19.000 -0.168 0.000 0.818 105 A HN 0.199 nan 8.150 nan 0.000 0.443 106 A N -0.759 121.971 122.820 -0.150 0.000 1.933 106 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 106 A C 2.231 179.758 177.584 -0.094 0.000 1.175 106 A CA 1.808 53.768 52.037 -0.127 0.000 0.628 106 A CB -0.787 18.140 19.000 -0.121 0.000 0.814 106 A HN 0.375 nan 8.150 nan 0.000 0.444 107 V N -0.136 119.730 119.914 -0.080 0.000 2.379 107 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 107 V C 2.369 178.416 176.094 -0.078 0.000 1.044 107 V CA 1.722 63.993 62.300 -0.048 0.000 1.036 107 V CB -0.549 31.210 31.823 -0.107 0.000 0.664 107 V HN 0.567 nan 8.190 nan 0.000 0.453 108 I N 0.165 120.664 120.570 -0.118 0.000 2.335 108 I HA -0.286 3.884 4.170 -0.000 0.000 0.251 108 I C 2.592 178.642 176.117 -0.112 0.000 1.129 108 I CA 1.870 63.105 61.300 -0.108 0.000 1.402 108 I CB -0.222 37.717 38.000 -0.102 0.000 1.069 108 I HN 0.446 nan 8.210 nan 0.000 0.424 109 E N 1.090 121.184 120.200 -0.176 0.000 2.106 109 E HA -0.207 4.142 4.350 -0.000 0.000 0.192 109 E C 2.345 178.616 176.600 -0.549 0.000 0.984 109 E CA 0.979 57.160 56.400 -0.365 0.000 0.806 109 E CB 0.052 29.527 29.700 -0.375 0.000 0.750 109 E HN 0.489 nan 8.360 nan 0.000 0.458 110 L N 0.975 122.066 121.223 -0.220 0.000 2.056 110 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 110 L C 2.849 179.804 176.870 0.142 0.000 1.078 110 L CA 1.052 55.879 54.840 -0.020 0.000 0.749 110 L CB -0.435 41.732 42.059 0.180 0.000 0.901 110 L HN 0.197 nan 8.230 nan 0.000 0.433 111 E N 0.766 121.099 120.200 0.221 0.000 2.077 111 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 111 E C 1.698 178.390 176.600 0.154 0.000 0.989 111 E CA 1.317 57.879 56.400 0.270 0.000 0.800 111 E CB -0.075 29.743 29.700 0.198 0.000 0.746 111 E HN 0.413 nan 8.360 nan 0.000 0.452 112 N N -0.194 118.545 118.700 0.066 0.000 2.453 112 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 112 N C 1.294 176.943 175.510 0.232 0.000 1.041 112 N CA 0.620 53.727 53.050 0.095 0.000 0.900 112 N CB -0.346 38.164 38.487 0.039 0.000 0.961 112 N HN 0.418 nan 8.380 nan 0.000 0.443 113 Y N -1.075 119.269 120.300 0.073 0.000 2.544 113 Y HA 0.107 4.657 4.550 -0.000 0.000 0.286 113 Y C 1.587 177.506 175.900 0.032 0.000 1.141 113 Y CA -0.017 58.111 58.100 0.048 0.000 1.299 113 Y CB 0.475 38.974 38.460 0.065 0.000 1.030 113 Y HN 0.165 nan 8.280 nan 0.000 0.543 114 G N 0.692 109.618 108.800 0.210 0.000 2.184 114 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.206 114 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.206 114 G C 0.170 175.127 174.900 0.095 0.000 0.995 114 G CA -0.306 44.869 45.100 0.124 0.000 0.651 114 G HN 0.220 nan 8.290 nan 0.000 0.511 115 M N 2.908 122.570 119.600 0.103 0.000 2.338 115 M HA 0.229 4.709 4.480 -0.000 0.000 0.360 115 M C -1.365 174.907 176.300 -0.047 0.000 1.547 115 M CA -0.652 54.619 55.300 -0.049 0.000 1.001 115 M CB 0.481 32.958 32.600 -0.206 0.000 2.008 115 M HN 0.021 nan 8.290 nan 0.000 0.464 116 P HA 0.021 nan 4.420 nan 0.000 0.231 116 P C -0.863 176.448 177.300 0.018 0.000 1.756 116 P CA 0.169 63.273 63.100 0.007 0.000 0.990 116 P CB -0.816 30.888 31.700 0.006 0.000 1.973 117 F N 0.595 120.584 119.950 0.065 0.000 2.545 117 F HA 0.006 4.533 4.527 -0.000 0.000 0.348 117 F C 1.683 177.532 175.800 0.082 0.000 1.163 117 F CA 0.757 58.803 58.000 0.076 0.000 1.331 117 F CB 0.198 39.239 39.000 0.068 0.000 1.138 117 F HN 0.053 nan 8.300 nan 0.000 0.602 118 S N 2.747 118.660 115.700 0.355 0.000 2.593 118 S HA 0.433 4.903 4.470 -0.000 0.000 0.269 118 S C 0.032 174.776 174.600 0.240 0.000 1.334 118 S CA -0.811 57.524 58.200 0.224 0.000 1.015 118 S CB 0.633 63.951 63.200 0.196 0.000 0.912 118 S HN 0.312 nan 8.310 nan 0.000 0.541 119 R N 1.139 121.723 120.500 0.140 0.000 2.778 119 R HA 0.524 4.864 4.340 -0.000 0.000 0.277 119 R C 0.337 176.708 176.300 0.118 0.000 0.977 119 R CA -0.631 55.547 56.100 0.129 0.000 0.950 119 R CB 1.188 31.538 30.300 0.082 0.000 1.165 119 R HN 0.824 nan 8.270 nan 0.000 0.474 120 T N -2.078 112.553 114.554 0.127 0.000 2.849 120 T HA 0.203 4.553 4.350 -0.000 0.000 0.276 120 T C 1.054 175.789 174.700 0.059 0.000 0.971 120 T CA -0.679 61.491 62.100 0.117 0.000 0.949 120 T CB 1.016 69.950 68.868 0.110 0.000 1.093 120 T HN 0.338 nan 8.240 nan 0.000 0.545 121 E N 0.504 120.731 120.200 0.045 0.000 2.267 121 E HA -0.113 4.237 4.350 -0.000 0.000 0.197 121 E C 1.404 178.018 176.600 0.023 0.000 0.998 121 E CA 1.125 57.540 56.400 0.026 0.000 0.830 121 E CB -0.051 29.661 29.700 0.020 0.000 0.751 121 E HN 0.782 nan 8.360 nan 0.000 0.491 122 E N -0.514 119.702 120.200 0.026 0.000 2.403 122 E HA 0.192 4.542 4.350 -0.000 0.000 0.188 122 E C 0.867 177.479 176.600 0.020 0.000 1.056 122 E CA 0.284 56.695 56.400 0.018 0.000 0.892 122 E CB 0.297 30.005 29.700 0.013 0.000 1.049 122 E HN 0.234 nan 8.360 nan 0.000 0.465 123 G N 2.081 110.897 108.800 0.027 0.000 2.155 123 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.257 123 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.257 123 G C 0.171 175.089 174.900 0.031 0.000 0.983 123 G CA 0.657 45.775 45.100 0.030 0.000 0.676 123 G HN 0.237 nan 8.290 nan 0.000 0.528 124 K N -0.723 119.693 120.400 0.028 0.000 2.210 124 K HA 0.677 4.997 4.320 -0.000 0.000 0.236 124 K C 0.612 177.224 176.600 0.020 0.000 1.016 124 K CA -1.203 55.088 56.287 0.008 0.000 0.913 124 K CB 1.327 33.819 32.500 -0.013 0.000 1.141 124 K HN 0.116 nan 8.250 nan 0.000 0.462 125 I N 2.417 122.957 120.570 -0.050 0.000 2.664 125 I HA -0.101 4.069 4.170 -0.000 0.000 0.284 125 I C -0.066 176.042 176.117 -0.015 0.000 1.154 125 I CA 0.092 61.335 61.300 -0.096 0.000 1.402 125 I CB -0.225 37.527 38.000 -0.413 0.000 1.395 125 I HN 0.424 nan 8.210 nan 0.000 0.545 126 Y N 7.965 128.261 120.300 -0.008 0.000 2.377 126 Y HA 0.251 4.801 4.550 -0.000 0.000 0.330 126 Y C -0.268 175.651 175.900 0.032 0.000 1.108 126 Y CA -0.242 57.872 58.100 0.024 0.000 1.308 126 Y CB 0.454 38.950 38.460 0.060 0.000 1.216 126 Y HN 0.508 nan 8.280 nan 0.000 0.518 127 Q N 6.590 125.928 119.800 -0.769 0.000 2.356 127 Q HA 0.467 4.807 4.340 -0.000 0.000 0.270 127 Q C -1.034 174.529 176.000 -0.728 0.000 1.058 127 Q CA -1.180 54.281 55.803 -0.569 0.000 0.802 127 Q CB 2.569 31.150 28.738 -0.261 0.000 1.303 127 Q HN 0.794 nan 8.270 nan 0.000 0.444 128 R N 0.126 120.403 120.500 -0.371 0.000 2.856 128 R HA 0.870 5.210 4.340 -0.000 0.000 0.258 128 R C -0.731 175.599 176.300 0.051 0.000 1.066 128 R CA -0.861 55.201 56.100 -0.063 0.000 1.045 128 R CB 0.958 31.342 30.300 0.140 0.000 1.178 128 R HN 0.522 nan 8.270 nan 0.000 0.499 129 A N 0.956 123.807 122.820 0.050 0.000 2.351 129 A HA 0.578 4.898 4.320 -0.000 0.000 0.257 129 A C -1.058 176.595 177.584 0.115 0.000 1.087 129 A CA -0.203 51.763 52.037 -0.119 0.000 0.798 129 A CB 0.176 19.021 19.000 -0.259 0.000 1.033 129 A HN 0.553 nan 8.150 nan 0.000 0.488 130 F N -0.857 119.013 119.950 -0.134 0.000 2.685 130 F HA 0.560 5.087 4.527 -0.000 0.000 0.315 130 F C 0.861 176.600 175.800 -0.102 0.000 1.126 130 F CA -0.051 57.897 58.000 -0.088 0.000 0.950 130 F CB 1.611 40.571 39.000 -0.067 0.000 1.360 130 F HN 0.787 nan 8.300 nan 0.000 0.469 131 G N 0.653 109.439 108.800 -0.024 0.000 2.272 131 G HA2 0.399 4.358 3.960 -0.000 0.000 0.247 131 G HA3 0.399 4.358 3.960 -0.000 0.000 0.247 131 G C 0.797 175.654 174.900 -0.073 0.000 1.272 131 G CA 0.425 45.464 45.100 -0.103 0.000 0.921 131 G HN 1.663 nan 8.290 nan 0.000 0.495 132 G N 1.381 110.104 108.800 -0.127 0.000 2.153 132 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.252 132 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.252 132 G C 0.315 175.279 174.900 0.106 0.000 0.994 132 G CA 0.471 45.542 45.100 -0.049 0.000 0.698 132 G HN 0.852 nan 8.290 nan 0.000 0.521 133 Q N 0.391 120.233 119.800 0.070 0.000 2.271 133 Q HA 0.612 4.951 4.340 -0.000 0.000 0.258 133 Q C 0.133 176.167 176.000 0.057 0.000 0.936 133 Q CA 0.151 56.002 55.803 0.080 0.000 0.909 133 Q CB 1.958 30.715 28.738 0.033 0.000 1.253 133 Q HN 0.655 nan 8.270 nan 0.000 0.440 134 S N 1.981 117.730 115.700 0.083 0.000 2.667 134 S HA 0.759 5.228 4.470 -0.000 0.000 0.292 134 S C -0.557 174.003 174.600 -0.067 0.000 1.126 134 S CA -0.870 57.339 58.200 0.014 0.000 0.881 134 S CB 1.104 64.328 63.200 0.040 0.000 1.132 134 S HN 0.469 nan 8.310 nan 0.000 0.492 135 L N 1.037 122.122 121.223 -0.230 0.000 2.334 135 L HA 0.523 4.863 4.340 -0.000 0.000 0.270 135 L C -0.070 176.165 176.870 -1.059 0.000 1.018 135 L CA -0.930 53.563 54.840 -0.579 0.000 0.811 135 L CB 0.834 42.656 42.059 -0.396 0.000 1.271 135 L HN 0.803 nan 8.230 nan 0.000 0.443 136 Q N 2.230 120.630 119.800 -2.335 0.000 2.447 136 Q HA -0.247 4.093 4.340 -0.000 0.000 0.348 136 Q C -0.444 175.080 176.000 -0.792 0.000 1.421 136 Q CA 0.413 55.268 55.803 -1.579 0.000 0.978 136 Q CB -1.772 26.524 28.738 -0.738 0.000 1.191 136 Q HN 0.659 nan 8.270 nan 0.000 0.371 137 F N -0.858 118.624 119.950 -0.780 0.000 2.925 137 F HA -0.291 4.236 4.527 -0.000 0.000 0.239 137 F C 1.530 176.907 175.800 -0.705 0.000 1.009 137 F CA 1.806 59.325 58.000 -0.802 0.000 0.847 137 F CB -2.054 36.444 39.000 -0.838 0.000 0.719 137 F HN 0.723 nan 8.300 nan 0.000 0.826 138 G N -1.067 107.614 108.800 -0.198 0.000 2.176 138 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.253 138 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.253 138 G C 1.039 175.901 174.900 -0.064 0.000 0.979 138 G CA 0.394 45.501 45.100 0.011 0.000 0.641 138 G HN 0.520 nan 8.290 nan 0.000 0.530 139 K N -0.257 120.048 120.400 -0.159 0.000 2.348 139 K HA 0.266 4.586 4.320 -0.000 0.000 0.194 139 K C 2.025 178.541 176.600 -0.141 0.000 1.052 139 K CA 0.562 56.775 56.287 -0.124 0.000 1.004 139 K CB 0.531 32.964 32.500 -0.111 0.000 0.873 139 K HN 0.284 nan 8.250 nan 0.000 0.523 140 G N 1.086 109.751 108.800 -0.225 0.000 3.609 140 G HA2 0.408 4.368 3.960 -0.000 0.000 0.280 140 G HA3 0.408 4.368 3.960 -0.000 0.000 0.280 140 G C 0.306 175.130 174.900 -0.128 0.000 1.155 140 G CA 0.198 45.181 45.100 -0.196 0.000 0.876 140 G HN 0.349 nan 8.290 nan 0.000 0.535 141 G N -0.230 108.520 108.800 -0.084 0.000 2.757 141 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.638 141 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.638 141 G C -0.227 174.656 174.900 -0.027 0.000 1.344 141 G CA -0.388 44.692 45.100 -0.033 0.000 0.855 141 G HN 0.678 nan 8.290 nan 0.000 0.537 142 Q N 0.077 119.875 119.800 -0.005 0.000 2.269 142 Q HA 0.522 4.862 4.340 -0.000 0.000 0.300 142 Q C 0.672 176.617 176.000 -0.092 0.000 1.070 142 Q CA 1.372 57.143 55.803 -0.053 0.000 0.957 142 Q CB 0.365 29.064 28.738 -0.065 0.000 1.131 142 Q HN 1.828 nan 8.270 nan 0.000 0.377 143 A N 5.078 127.817 122.820 -0.136 0.000 2.286 143 A HA 0.457 4.777 4.320 -0.000 0.000 0.286 143 A C -0.843 176.527 177.584 -0.357 0.000 1.097 143 A CA -0.423 51.557 52.037 -0.095 0.000 0.821 143 A CB 0.627 19.618 19.000 -0.014 0.000 1.076 143 A HN 0.889 nan 8.150 nan 0.000 0.490 144 H N 1.441 120.506 119.070 -0.008 0.000 2.380 144 H HA 0.241 4.797 4.556 -0.000 0.000 0.231 144 H C 0.015 175.286 175.328 -0.095 0.000 1.415 144 H CA -0.113 55.905 56.048 -0.049 0.000 1.433 144 H CB 0.490 30.215 29.762 -0.061 0.000 1.544 144 H HN 0.853 nan 8.280 nan 0.000 0.503 145 R N -0.603 119.852 120.500 -0.075 0.000 2.600 145 R HA 0.211 4.551 4.340 -0.000 0.000 0.392 145 R C -0.083 176.111 176.300 -0.177 0.000 1.032 145 R CA -0.241 55.781 56.100 -0.131 0.000 1.139 145 R CB -0.396 29.800 30.300 -0.174 0.000 1.400 145 R HN 0.112 nan 8.270 nan 0.000 0.566 146 C N 2.976 122.185 119.300 -0.152 0.000 2.218 146 C HA 0.433 4.893 4.460 -0.000 0.000 0.353 146 C C 0.722 175.637 174.990 -0.125 0.000 1.070 146 C CA -0.765 58.143 59.018 -0.183 0.000 1.497 146 C CB -1.589 26.035 27.740 -0.193 0.000 1.951 146 C HN 0.697 nan 8.230 nan 0.000 0.493 147 C N 4.926 124.162 119.300 -0.107 0.000 2.676 147 C HA 0.566 5.026 4.460 -0.000 0.000 0.416 147 C C 0.879 176.001 174.990 0.220 0.000 1.299 147 C CA -0.391 58.594 59.018 -0.055 0.000 2.048 147 C CB -1.792 25.806 27.740 -0.236 0.000 2.713 147 C HN 1.025 nan 8.230 nan 0.000 0.624 148 C N 0.406 119.960 119.300 0.425 0.000 3.312 148 C HA 0.727 5.186 4.460 -0.000 0.000 0.332 148 C C -0.976 174.263 174.990 0.414 0.000 1.340 148 C CA -0.679 58.595 59.018 0.425 0.000 1.265 148 C CB 0.435 28.339 27.740 0.274 0.000 1.563 148 C HN 0.609 nan 8.230 nan 0.000 0.471 149 V N 3.020 123.032 119.914 0.165 0.000 2.239 149 V HA 0.660 4.780 4.120 -0.000 0.000 0.267 149 V C 1.176 177.333 176.094 0.105 0.000 1.056 149 V CA 1.249 63.595 62.300 0.077 0.000 0.830 149 V CB -0.251 31.533 31.823 -0.064 0.000 1.090 149 V HN 2.298 nan 8.190 nan 0.000 0.459 150 A N 4.782 127.682 122.820 0.133 0.000 5.481 150 A HA -0.288 4.032 4.320 -0.000 0.000 0.318 150 A C 1.044 178.701 177.584 0.122 0.000 1.837 150 A CA 1.724 53.823 52.037 0.102 0.000 0.717 150 A CB -1.247 17.785 19.000 0.054 0.000 1.349 150 A HN 1.070 nan 8.150 nan 0.000 0.388 151 D N -0.220 120.233 120.400 0.088 0.000 2.525 151 D HA 0.335 4.975 4.640 -0.000 0.000 0.229 151 D C 0.576 176.919 176.300 0.073 0.000 1.202 151 D CA 0.225 54.282 54.000 0.095 0.000 0.828 151 D CB -0.222 40.624 40.800 0.077 0.000 1.008 151 D HN 0.588 nan 8.370 nan 0.000 0.493 152 R N -0.170 120.372 120.500 0.071 0.000 2.816 152 R HA 0.244 4.584 4.340 -0.000 0.000 0.382 152 R C 0.384 176.742 176.300 0.097 0.000 1.140 152 R CA -0.176 55.970 56.100 0.076 0.000 1.050 152 R CB 0.256 30.590 30.300 0.056 0.000 1.396 152 R HN -0.034 nan 8.270 nan 0.000 0.583 153 T N -0.255 114.338 114.554 0.066 0.000 2.821 153 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 153 T C 2.011 176.717 174.700 0.010 0.000 1.046 153 T CA 1.690 63.799 62.100 0.016 0.000 1.139 153 T CB 0.038 68.924 68.868 0.031 0.000 0.871 153 T HN 0.575 nan 8.240 nan 0.000 0.454 154 G N 1.174 109.995 108.800 0.037 0.000 2.404 154 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.215 154 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.215 154 G C 1.353 176.284 174.900 0.052 0.000 1.174 154 G CA 0.877 45.989 45.100 0.020 0.000 0.780 154 G HN 0.621 nan 8.290 nan 0.000 0.537 155 H N 0.850 119.932 119.070 0.020 0.000 2.319 155 H HA -0.078 4.478 4.556 -0.000 0.000 0.297 155 H C 2.455 177.886 175.328 0.173 0.000 1.097 155 H CA 1.850 57.962 56.048 0.107 0.000 1.285 155 H CB -0.234 29.584 29.762 0.095 0.000 1.368 155 H HN 0.303 nan 8.280 nan 0.000 0.495 156 S N 0.787 116.462 115.700 -0.042 0.000 2.387 156 S HA -0.052 4.417 4.470 -0.000 0.000 0.226 156 S C 2.349 176.886 174.600 -0.105 0.000 1.026 156 S CA 0.694 58.814 58.200 -0.133 0.000 0.972 156 S CB -0.204 62.946 63.200 -0.083 0.000 0.814 156 S HN 0.413 nan 8.310 nan 0.000 0.477 157 L N 0.906 122.078 121.223 -0.085 0.000 2.017 157 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 157 L C 2.194 179.053 176.870 -0.018 0.000 1.073 157 L CA 1.237 56.050 54.840 -0.046 0.000 0.745 157 L CB -0.219 41.825 42.059 -0.024 0.000 0.894 157 L HN 0.273 nan 8.230 nan 0.000 0.432 158 L N -0.784 120.399 121.223 -0.067 0.000 2.093 158 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 158 L C 2.530 179.280 176.870 -0.201 0.000 1.085 158 L CA 1.742 56.508 54.840 -0.124 0.000 0.755 158 L CB -0.872 41.074 42.059 -0.188 0.000 0.904 158 L HN 0.339 nan 8.230 nan 0.000 0.435 159 H N -1.596 117.403 119.070 -0.118 0.000 2.395 159 H HA -0.025 4.531 4.556 -0.000 0.000 0.299 159 H C 1.950 177.274 175.328 -0.008 0.000 1.070 159 H CA 1.693 57.691 56.048 -0.084 0.000 1.356 159 H CB -0.103 29.519 29.762 -0.233 0.000 1.401 159 H HN 0.332 nan 8.280 nan 0.000 0.524 160 T N 1.463 116.056 114.554 0.065 0.000 2.737 160 T HA -0.070 4.280 4.350 -0.000 0.000 0.265 160 T C 2.430 177.167 174.700 0.063 0.000 1.038 160 T CA 0.642 62.783 62.100 0.068 0.000 1.144 160 T CB -0.274 68.643 68.868 0.082 0.000 0.866 160 T HN 0.165 nan 8.240 nan 0.000 0.434 161 L N -0.357 120.932 121.223 0.111 0.000 2.083 161 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 161 L C 2.379 179.293 176.870 0.073 0.000 1.083 161 L CA 1.467 56.406 54.840 0.164 0.000 0.752 161 L CB -0.518 41.686 42.059 0.243 0.000 0.899 161 L HN 0.296 nan 8.230 nan 0.000 0.433 162 Y N 0.747 121.007 120.300 -0.066 0.000 2.181 162 Y HA -0.166 4.384 4.550 -0.000 0.000 0.288 162 Y C 2.317 178.132 175.900 -0.141 0.000 1.146 162 Y CA 1.535 59.558 58.100 -0.128 0.000 1.164 162 Y CB -0.585 37.752 38.460 -0.206 0.000 0.982 162 Y HN 0.063 nan 8.280 nan 0.000 0.515 163 G N -0.080 108.676 108.800 -0.073 0.000 2.418 163 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.217 163 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.217 163 G C 1.707 176.415 174.900 -0.319 0.000 1.158 163 G CA 1.025 46.030 45.100 -0.157 0.000 0.771 163 G HN 0.330 nan 8.290 nan 0.000 0.545 164 R N 1.529 121.799 120.500 -0.382 0.000 2.081 164 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 164 R C 2.900 178.766 176.300 -0.722 0.000 1.131 164 R CA 2.018 57.732 56.100 -0.642 0.000 0.960 164 R CB -0.765 28.953 30.300 -0.970 0.000 0.856 164 R HN 0.399 nan 8.270 nan 0.000 0.436 165 S N 0.093 115.425 115.700 -0.614 0.000 2.419 165 S HA -0.102 4.368 4.470 -0.000 0.000 0.233 165 S C 1.934 176.390 174.600 -0.239 0.000 1.016 165 S CA 1.127 59.142 58.200 -0.310 0.000 0.974 165 S CB -0.521 62.683 63.200 0.007 0.000 0.786 165 S HN 0.405 nan 8.310 nan 0.000 0.492 166 L N 0.588 121.557 121.223 -0.424 0.000 2.450 166 L HA 0.006 4.346 4.340 -0.000 0.000 0.224 166 L C 2.451 179.144 176.870 -0.294 0.000 1.149 166 L CA 0.925 55.553 54.840 -0.354 0.000 0.816 166 L CB -0.460 41.386 42.059 -0.356 0.000 0.932 166 L HN 0.386 nan 8.230 nan 0.000 0.449 167 R N -1.455 118.779 120.500 -0.443 0.000 2.310 167 R HA 0.110 4.450 4.340 -0.000 0.000 0.202 167 R C -0.572 175.333 176.300 -0.659 0.000 0.933 167 R CA 0.137 55.875 56.100 -0.605 0.000 1.054 167 R CB 0.142 29.916 30.300 -0.877 0.000 0.985 167 R HN 0.200 nan 8.270 nan 0.000 0.489 168 Y N -0.285 119.961 120.300 -0.090 0.000 2.570 168 Y HA 0.092 4.642 4.550 -0.000 0.000 0.345 168 Y C 0.818 176.738 175.900 0.033 0.000 1.014 168 Y CA -1.675 56.419 58.100 -0.010 0.000 1.063 168 Y CB 0.899 39.381 38.460 0.036 0.000 1.272 168 Y HN -0.043 nan 8.280 nan 0.000 0.477 169 D N -0.450 120.086 120.400 0.225 0.000 2.355 169 D HA -0.044 4.596 4.640 -0.000 0.000 0.253 169 D C -0.302 176.092 176.300 0.157 0.000 1.187 169 D CA 0.156 54.250 54.000 0.157 0.000 0.900 169 D CB -0.732 40.145 40.800 0.130 0.000 0.915 169 D HN 0.405 nan 8.370 nan 0.000 0.516 170 T N 0.648 115.300 114.554 0.162 0.000 2.902 170 T HA 0.103 4.452 4.350 -0.000 0.000 0.301 170 T C 0.197 174.885 174.700 -0.021 0.000 1.012 170 T CA 0.031 62.144 62.100 0.021 0.000 1.151 170 T CB 0.877 69.696 68.868 -0.081 0.000 0.946 170 T HN 0.011 nan 8.240 nan 0.000 0.542 171 S N 2.773 118.424 115.700 -0.081 0.000 2.422 171 S HA 0.385 4.855 4.470 -0.000 0.000 0.298 171 S C -0.674 173.733 174.600 -0.323 0.000 1.118 171 S CA -0.634 57.533 58.200 -0.055 0.000 1.083 171 S CB 0.063 63.414 63.200 0.251 0.000 0.971 171 S HN 0.488 nan 8.310 nan 0.000 0.478 172 Y N 1.537 121.670 120.300 -0.279 0.000 2.352 172 Y HA 0.490 5.040 4.550 -0.000 0.000 0.326 172 Y C -0.208 175.305 175.900 -0.646 0.000 1.166 172 Y CA -0.965 56.968 58.100 -0.278 0.000 1.182 172 Y CB 0.754 39.128 38.460 -0.143 0.000 1.216 172 Y HN 0.550 nan 8.280 nan 0.000 0.474 173 F N 1.664 121.465 119.950 -0.249 0.000 2.686 173 F HA 0.373 4.900 4.527 -0.000 0.000 0.365 173 F C -0.657 174.955 175.800 -0.312 0.000 1.196 173 F CA -0.949 56.670 58.000 -0.636 0.000 1.198 173 F CB 0.563 38.784 39.000 -1.298 0.000 1.454 173 F HN 0.081 nan 8.300 nan 0.000 0.539 174 V N 2.139 122.127 119.914 0.123 0.000 2.614 174 V HA 0.143 4.263 4.120 -0.000 0.000 0.291 174 V C 0.552 176.909 176.094 0.438 0.000 1.049 174 V CA -0.492 61.971 62.300 0.272 0.000 1.038 174 V CB 0.879 32.875 31.823 0.288 0.000 0.980 174 V HN 0.770 nan 8.190 nan 0.000 0.481 175 E N 2.048 122.460 120.200 0.353 0.000 2.340 175 E HA -0.220 4.130 4.350 -0.000 0.000 0.240 175 E C -1.315 175.459 176.600 0.289 0.000 1.154 175 E CA 0.373 56.940 56.400 0.279 0.000 0.717 175 E CB -0.958 28.908 29.700 0.277 0.000 1.250 175 E HN 0.610 nan 8.360 nan 0.000 0.386 176 Y N -0.166 120.192 120.300 0.097 0.000 2.364 176 Y HA 0.483 5.033 4.550 -0.000 0.000 0.340 176 Y C -0.203 175.764 175.900 0.112 0.000 0.975 176 Y CA -1.211 56.953 58.100 0.107 0.000 1.089 176 Y CB 1.113 39.627 38.460 0.090 0.000 1.192 176 Y HN 0.167 nan 8.280 nan 0.000 0.454 177 F N 3.414 123.411 119.950 0.079 0.000 2.361 177 F HA 0.723 5.250 4.527 -0.000 0.000 0.364 177 F C 0.099 175.920 175.800 0.035 0.000 1.117 177 F CA -1.017 56.996 58.000 0.021 0.000 1.071 177 F CB 0.428 39.406 39.000 -0.037 0.000 1.188 177 F HN 0.595 nan 8.300 nan 0.000 0.464 178 A N 7.174 129.803 122.820 -0.319 0.000 2.454 178 A HA 0.341 4.661 4.320 -0.000 0.000 0.260 178 A C 0.420 177.826 177.584 -0.298 0.000 1.106 178 A CA -0.190 51.704 52.037 -0.238 0.000 0.780 178 A CB 0.178 19.020 19.000 -0.263 0.000 1.044 178 A HN 1.044 nan 8.150 nan 0.000 0.498 179 L N 1.354 122.545 121.223 -0.055 0.000 2.185 179 L HA 0.229 4.569 4.340 -0.000 0.000 0.198 179 L C 0.343 177.201 176.870 -0.019 0.000 1.079 179 L CA 0.635 55.485 54.840 0.017 0.000 0.780 179 L CB -0.029 42.081 42.059 0.085 0.000 0.955 179 L HN 0.609 nan 8.230 nan 0.000 0.462 180 D N -1.710 118.682 120.400 -0.013 0.000 2.643 180 D HA 0.429 5.068 4.640 -0.000 0.000 0.283 180 D C -1.050 175.241 176.300 -0.014 0.000 1.242 180 D CA -0.523 53.467 54.000 -0.018 0.000 0.863 180 D CB 2.431 43.230 40.800 -0.001 0.000 1.382 180 D HN -0.166 nan 8.370 nan 0.000 0.444 181 L N 0.585 121.798 121.223 -0.017 0.000 2.399 181 L HA 0.380 4.720 4.340 -0.000 0.000 0.266 181 L C 0.203 177.078 176.870 0.007 0.000 1.114 181 L CA -0.633 54.200 54.840 -0.011 0.000 0.804 181 L CB 0.700 42.746 42.059 -0.021 0.000 1.146 181 L HN 0.135 nan 8.230 nan 0.000 0.451 182 L N 3.799 125.033 121.223 0.019 0.000 2.353 182 L HA 0.284 4.624 4.340 -0.000 0.000 0.269 182 L C -0.372 176.508 176.870 0.017 0.000 1.085 182 L CA -0.264 54.591 54.840 0.025 0.000 0.938 182 L CB 0.417 42.502 42.059 0.043 0.000 1.312 182 L HN 0.496 nan 8.230 nan 0.000 0.429 183 M N 2.877 122.482 119.600 0.008 0.000 2.180 183 M HA 0.302 4.782 4.480 -0.000 0.000 0.358 183 M C -0.143 176.160 176.300 0.005 0.000 1.233 183 M CA 0.254 55.556 55.300 0.004 0.000 1.114 183 M CB 1.105 33.705 32.600 -0.001 0.000 1.594 183 M HN 0.401 nan 8.290 nan 0.000 0.467 184 E N 2.522 122.725 120.200 0.004 0.000 2.274 184 E HA 0.280 4.630 4.350 -0.000 0.000 0.269 184 E C -0.894 175.706 176.600 0.000 0.000 0.891 184 E CA -0.293 56.109 56.400 0.004 0.000 0.784 184 E CB 0.867 30.571 29.700 0.007 0.000 1.225 184 E HN 0.805 nan 8.360 nan 0.000 0.412 185 N N 3.245 121.944 118.700 -0.002 0.000 2.705 185 N HA -0.261 4.479 4.740 -0.000 0.000 0.255 185 N C 0.604 176.109 175.510 -0.007 0.000 1.008 185 N CA 0.774 53.822 53.050 -0.004 0.000 0.742 185 N CB -0.842 37.642 38.487 -0.004 0.000 0.906 185 N HN 0.938 nan 8.380 nan 0.000 0.541 186 G N -0.901 107.895 108.800 -0.007 0.000 2.186 186 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.266 186 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.266 186 G C -0.177 174.714 174.900 -0.016 0.000 0.982 186 G CA 1.062 46.155 45.100 -0.011 0.000 0.670 186 G HN 0.633 nan 8.290 nan 0.000 0.533 187 E N -0.931 119.262 120.200 -0.011 0.000 2.212 187 E HA 0.472 4.822 4.350 -0.000 0.000 0.268 187 E C -0.325 176.273 176.600 -0.003 0.000 0.902 187 E CA -0.797 55.597 56.400 -0.010 0.000 0.779 187 E CB 2.108 31.807 29.700 -0.003 0.000 1.172 187 E HN 0.180 nan 8.360 nan 0.000 0.409 188 C N 2.980 122.278 119.300 -0.002 0.000 2.415 188 C HA 0.264 4.724 4.460 -0.000 0.000 0.369 188 C C 1.263 176.267 174.990 0.024 0.000 1.279 188 C CA -0.373 58.648 59.018 0.006 0.000 1.886 188 C CB -0.606 27.134 27.740 0.001 0.000 2.468 188 C HN 0.701 nan 8.230 nan 0.000 0.553 189 R N 3.483 124.000 120.500 0.028 0.000 2.334 189 R HA 0.335 4.675 4.340 -0.000 0.000 0.212 189 R C 0.977 177.314 176.300 0.061 0.000 0.897 189 R CA 0.789 56.915 56.100 0.043 0.000 1.056 189 R CB 0.123 30.445 30.300 0.038 0.000 1.046 189 R HN 1.040 nan 8.270 nan 0.000 0.513 190 G N 0.021 108.853 108.800 0.053 0.000 2.373 190 G HA2 0.133 4.093 3.960 -0.000 0.000 0.250 190 G HA3 0.133 4.093 3.960 -0.000 0.000 0.250 190 G C -1.446 173.485 174.900 0.052 0.000 1.304 190 G CA -0.211 44.932 45.100 0.071 0.000 0.948 190 G HN 0.167 nan 8.290 nan 0.000 0.474 191 V N -1.928 118.040 119.914 0.090 0.000 3.147 191 V HA 0.895 5.015 4.120 -0.000 0.000 0.306 191 V C -0.717 175.481 176.094 0.174 0.000 1.209 191 V CA -0.844 61.495 62.300 0.065 0.000 1.023 191 V CB 1.775 33.576 31.823 -0.036 0.000 1.059 191 V HN 1.613 nan 8.190 nan 0.000 0.435 192 I N 1.862 122.513 120.570 0.135 0.000 2.603 192 I HA 0.968 5.138 4.170 -0.000 0.000 0.300 192 I C -0.118 176.115 176.117 0.194 0.000 1.017 192 I CA -0.388 61.029 61.300 0.195 0.000 1.098 192 I CB 1.777 39.845 38.000 0.113 0.000 1.279 192 I HN 1.348 nan 8.210 nan 0.000 0.437 193 A N 5.946 128.949 122.820 0.304 0.000 2.602 193 A HA 0.671 4.990 4.320 -0.000 0.000 0.290 193 A C -2.076 175.690 177.584 0.305 0.000 1.114 193 A CA -0.596 51.614 52.037 0.289 0.000 0.683 193 A CB 1.541 20.729 19.000 0.313 0.000 1.281 193 A HN 0.666 nan 8.150 nan 0.000 0.416 194 L N 1.051 122.422 121.223 0.246 0.000 2.265 194 L HA 0.587 4.927 4.340 -0.000 0.000 0.289 194 L C -0.096 176.789 176.870 0.025 0.000 1.033 194 L CA -0.533 54.398 54.840 0.152 0.000 0.814 194 L CB 0.734 42.855 42.059 0.103 0.000 1.203 194 L HN 0.845 nan 8.230 nan 0.000 0.423 195 C N 6.647 125.884 119.300 -0.106 0.000 2.416 195 C HA 0.293 4.753 4.460 -0.000 0.000 0.355 195 C C 1.823 176.642 174.990 -0.285 0.000 1.211 195 C CA -0.536 58.120 59.018 -0.602 0.000 1.699 195 C CB -1.578 25.790 27.740 -0.620 0.000 2.310 195 C HN 0.972 nan 8.230 nan 0.000 0.539 196 I N 3.315 123.707 120.570 -0.297 0.000 2.286 196 I HA -0.148 4.022 4.170 -0.000 0.000 0.248 196 I C 2.534 178.500 176.117 -0.251 0.000 1.115 196 I CA 1.663 62.745 61.300 -0.363 0.000 1.392 196 I CB -0.362 37.233 38.000 -0.675 0.000 1.065 196 I HN 0.823 nan 8.210 nan 0.000 0.418 197 E N 1.290 121.458 120.200 -0.053 0.000 2.150 197 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 197 E C 0.951 177.648 176.600 0.161 0.000 0.985 197 E CA 1.710 58.240 56.400 0.216 0.000 0.814 197 E CB 0.110 29.971 29.700 0.268 0.000 0.752 197 E HN 0.646 nan 8.360 nan 0.000 0.466 198 D N -2.080 118.369 120.400 0.081 0.000 2.513 198 D HA 0.134 4.773 4.640 -0.000 0.000 0.222 198 D C 0.924 177.267 176.300 0.072 0.000 1.210 198 D CA 0.417 54.474 54.000 0.095 0.000 0.825 198 D CB 0.397 41.269 40.800 0.119 0.000 1.037 198 D HN 0.228 nan 8.370 nan 0.000 0.506 199 G N 0.685 109.513 108.800 0.047 0.000 2.179 199 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.257 199 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.257 199 G C 0.421 175.387 174.900 0.110 0.000 1.010 199 G CA 0.809 45.948 45.100 0.065 0.000 0.736 199 G HN 0.837 nan 8.290 nan 0.000 0.513 200 T N -1.691 112.929 114.554 0.110 0.000 2.943 200 T HA 0.770 5.120 4.350 -0.000 0.000 0.284 200 T C 0.220 174.985 174.700 0.108 0.000 1.015 200 T CA -1.127 61.029 62.100 0.092 0.000 1.042 200 T CB 2.324 71.219 68.868 0.044 0.000 1.055 200 T HN 0.283 nan 8.240 nan 0.000 0.500 201 I N 2.258 122.825 120.570 -0.004 0.000 2.392 201 I HA 0.370 4.540 4.170 -0.000 0.000 0.295 201 I C 0.218 176.260 176.117 -0.125 0.000 0.985 201 I CA -0.585 60.736 61.300 0.036 0.000 1.221 201 I CB 1.027 39.038 38.000 0.020 0.000 1.366 201 I HN 0.737 nan 8.210 nan 0.000 0.467 202 H N 5.891 125.055 119.070 0.157 0.000 2.679 202 H HA 0.465 5.020 4.556 -0.000 0.000 0.360 202 H C -0.631 174.755 175.328 0.096 0.000 1.105 202 H CA -0.792 55.324 56.048 0.112 0.000 1.196 202 H CB 2.464 32.371 29.762 0.242 0.000 1.636 202 H HN 0.391 nan 8.280 nan 0.000 0.531 203 R N 2.816 123.338 120.500 0.038 0.000 2.360 203 R HA 0.272 4.612 4.340 -0.000 0.000 0.318 203 R C -1.099 175.198 176.300 -0.005 0.000 0.950 203 R CA -0.704 55.448 56.100 0.087 0.000 0.837 203 R CB 1.001 31.320 30.300 0.033 0.000 1.165 203 R HN 0.276 nan 8.270 nan 0.000 0.458 204 F N 2.874 122.905 119.950 0.135 0.000 2.313 204 F HA 0.390 4.917 4.527 -0.000 0.000 0.369 204 F C 0.751 176.619 175.800 0.112 0.000 1.109 204 F CA -0.834 57.249 58.000 0.139 0.000 1.132 204 F CB 0.777 39.749 39.000 -0.047 0.000 1.291 204 F HN 0.156 nan 8.300 nan 0.000 0.496 205 R N 2.362 123.010 120.500 0.246 0.000 2.298 205 R HA 0.753 5.093 4.340 -0.000 0.000 0.310 205 R C -0.279 176.145 176.300 0.208 0.000 1.068 205 R CA -0.299 55.903 56.100 0.170 0.000 0.957 205 R CB 0.852 31.211 30.300 0.099 0.000 1.003 205 R HN 0.723 nan 8.270 nan 0.000 0.454 206 A N 2.050 124.966 122.820 0.160 0.000 2.609 206 A HA 0.287 4.607 4.320 -0.000 0.000 0.291 206 A C -0.079 177.568 177.584 0.105 0.000 1.096 206 A CA -0.814 51.318 52.037 0.158 0.000 0.684 206 A CB 1.607 20.702 19.000 0.158 0.000 1.282 206 A HN 0.741 nan 8.150 nan 0.000 0.412 207 K N -0.055 120.408 120.400 0.105 0.000 2.228 207 K HA 0.068 4.388 4.320 -0.000 0.000 0.202 207 K C -0.143 176.504 176.600 0.078 0.000 1.051 207 K CA 0.965 57.305 56.287 0.089 0.000 0.960 207 K CB 0.033 32.596 32.500 0.106 0.000 0.743 207 K HN 0.646 nan 8.250 nan 0.000 0.458 208 N N -0.072 118.663 118.700 0.059 0.000 2.260 208 N HA 0.194 4.934 4.740 -0.000 0.000 0.293 208 N C -1.597 173.913 175.510 -0.000 0.000 1.058 208 N CA -0.400 52.676 53.050 0.044 0.000 0.824 208 N CB 2.429 40.885 38.487 -0.052 0.000 1.551 208 N HN -0.168 nan 8.380 nan 0.000 0.475 209 T N 0.621 115.197 114.554 0.036 0.000 2.861 209 T HA 0.482 4.832 4.350 -0.000 0.000 0.287 209 T C -0.359 174.348 174.700 0.012 0.000 1.003 209 T CA -0.450 61.640 62.100 -0.016 0.000 0.977 209 T CB 1.899 70.760 68.868 -0.012 0.000 0.996 209 T HN 0.069 nan 8.240 nan 0.000 0.448 210 V N 4.098 123.971 119.914 -0.068 0.000 2.540 210 V HA 0.561 4.681 4.120 -0.000 0.000 0.302 210 V C -0.488 175.563 176.094 -0.072 0.000 1.035 210 V CA -0.812 61.458 62.300 -0.049 0.000 0.873 210 V CB 1.781 33.522 31.823 -0.137 0.000 0.992 210 V HN 0.802 nan 8.190 nan 0.000 0.428 211 I N 3.805 124.349 120.570 -0.044 0.000 2.382 211 I HA 0.630 4.800 4.170 -0.000 0.000 0.285 211 I C 0.308 176.393 176.117 -0.053 0.000 1.007 211 I CA -0.362 60.898 61.300 -0.067 0.000 1.142 211 I CB 1.778 39.738 38.000 -0.066 0.000 1.289 211 I HN 0.707 nan 8.210 nan 0.000 0.453 212 A N 3.435 126.218 122.820 -0.061 0.000 3.129 212 A HA 0.248 4.568 4.320 -0.000 0.000 0.282 212 A C 0.922 178.482 177.584 -0.040 0.000 0.948 212 A CA -0.296 51.718 52.037 -0.038 0.000 1.027 212 A CB -0.425 18.552 19.000 -0.038 0.000 1.123 212 A HN 0.712 nan 8.150 nan 0.000 0.485 213 T N -2.590 111.934 114.554 -0.050 0.000 3.194 213 T HA 0.442 4.792 4.350 -0.000 0.000 0.251 213 T C 1.155 175.838 174.700 -0.027 0.000 1.132 213 T CA 0.782 62.850 62.100 -0.052 0.000 1.028 213 T CB -0.464 68.354 68.868 -0.083 0.000 0.976 213 T HN 2.043 nan 8.240 nan 0.000 0.535 214 G N -0.099 108.691 108.800 -0.017 0.000 2.725 214 G HA2 0.238 4.198 3.960 -0.000 0.000 0.220 214 G HA3 0.238 4.198 3.960 -0.000 0.000 0.220 214 G C 0.085 174.951 174.900 -0.056 0.000 1.357 214 G CA -0.578 44.508 45.100 -0.022 0.000 0.866 214 G HN 0.860 nan 8.290 nan 0.000 0.548 215 G N -1.772 106.950 108.800 -0.130 0.000 2.543 215 G HA2 0.733 4.693 3.960 -0.000 0.000 0.267 215 G HA3 0.733 4.693 3.960 -0.000 0.000 0.267 215 G C -0.063 174.763 174.900 -0.123 0.000 1.406 215 G CA 0.371 45.329 45.100 -0.236 0.000 1.048 215 G HN 2.009 nan 8.290 nan 0.000 0.548 216 Y N -2.394 117.827 120.300 -0.132 0.000 2.558 216 Y HA 0.534 5.084 4.550 -0.000 0.000 0.316 216 Y C 1.186 177.055 175.900 -0.051 0.000 0.967 216 Y CA -0.839 57.216 58.100 -0.075 0.000 1.126 216 Y CB 0.272 38.708 38.460 -0.040 0.000 1.155 216 Y HN 0.488 nan 8.280 nan 0.000 0.628 217 G N 1.089 109.758 108.800 -0.218 0.000 2.509 217 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.218 217 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.218 217 G C 1.489 176.411 174.900 0.036 0.000 1.124 217 G CA 0.046 45.055 45.100 -0.152 0.000 0.776 217 G HN 0.282 nan 8.290 nan 0.000 0.547 218 R N 0.885 121.411 120.500 0.043 0.000 2.328 218 R HA 0.005 4.345 4.340 -0.000 0.000 0.206 218 R C 2.162 178.552 176.300 0.150 0.000 0.990 218 R CA 1.025 57.173 56.100 0.080 0.000 1.085 218 R CB -0.732 29.600 30.300 0.052 0.000 0.998 218 R HN 0.530 nan 8.270 nan 0.000 0.484 219 T N -3.231 111.456 114.554 0.222 0.000 3.067 219 T HA 0.024 4.374 4.350 -0.000 0.000 0.261 219 T C 0.706 175.441 174.700 0.059 0.000 1.110 219 T CA 0.504 62.698 62.100 0.158 0.000 1.113 219 T CB -0.086 68.915 68.868 0.221 0.000 0.917 219 T HN -0.011 nan 8.240 nan 0.000 0.499 220 Y N -0.262 120.098 120.300 0.101 0.000 2.432 220 Y HA 0.489 5.039 4.550 -0.000 0.000 0.322 220 Y C 0.940 176.940 175.900 0.167 0.000 1.246 220 Y CA -2.175 56.004 58.100 0.130 0.000 1.268 220 Y CB 0.665 39.172 38.460 0.078 0.000 1.276 220 Y HN -0.038 nan 8.280 nan 0.000 0.499 221 F N 0.289 120.365 119.950 0.211 0.000 2.293 221 F HA 0.042 4.569 4.527 -0.000 0.000 0.297 221 F C 0.899 176.772 175.800 0.123 0.000 1.089 221 F CA 0.936 59.020 58.000 0.139 0.000 1.377 221 F CB 0.119 39.193 39.000 0.124 0.000 1.051 221 F HN 0.257 nan 8.300 nan 0.000 0.511 222 S N 0.940 116.692 115.700 0.087 0.000 2.707 222 S HA 0.608 5.078 4.470 -0.000 0.000 0.312 222 S C -0.648 173.949 174.600 -0.004 0.000 1.116 222 S CA -0.533 57.624 58.200 -0.071 0.000 1.078 222 S CB -0.099 63.123 63.200 0.036 0.000 0.997 222 S HN 0.458 nan 8.310 nan 0.000 0.477 223 C N 2.295 121.546 119.300 -0.083 0.000 3.213 223 C HA 0.808 5.267 4.460 -0.000 0.000 0.319 223 C C 1.610 176.538 174.990 -0.103 0.000 1.386 223 C CA 0.045 59.006 59.018 -0.096 0.000 1.494 223 C CB 0.703 28.376 27.740 -0.111 0.000 1.905 223 C HN 0.803 nan 8.230 nan 0.000 0.456 224 T N -1.501 113.020 114.554 -0.055 0.000 3.057 224 T HA 0.155 4.505 4.350 -0.000 0.000 0.254 224 T C 0.725 175.414 174.700 -0.018 0.000 1.094 224 T CA 0.497 62.597 62.100 0.000 0.000 1.088 224 T CB -0.471 68.511 68.868 0.190 0.000 0.934 224 T HN 0.770 nan 8.240 nan 0.000 0.497 225 S N 1.968 117.559 115.700 -0.183 0.000 2.572 225 S HA 0.541 5.011 4.470 -0.000 0.000 0.267 225 S C 0.719 175.100 174.600 -0.364 0.000 1.361 225 S CA -0.395 57.503 58.200 -0.504 0.000 1.009 225 S CB 0.241 63.163 63.200 -0.464 0.000 0.888 225 S HN 0.794 nan 8.310 nan 0.000 0.553 226 A N 0.856 123.427 122.820 -0.416 0.000 2.304 226 A HA 0.309 4.629 4.320 -0.000 0.000 0.271 226 A C 1.061 178.542 177.584 -0.171 0.000 1.091 226 A CA -0.400 51.553 52.037 -0.141 0.000 0.812 226 A CB -0.122 18.919 19.000 0.067 0.000 1.056 226 A HN 0.974 nan 8.150 nan 0.000 0.489 227 H N 0.716 119.791 119.070 0.008 0.000 2.489 227 H HA -0.113 4.443 4.556 -0.000 0.000 0.295 227 H C 2.032 177.379 175.328 0.032 0.000 1.082 227 H CA 2.106 58.164 56.048 0.018 0.000 1.295 227 H CB -0.287 29.498 29.762 0.037 0.000 1.380 227 H HN 0.831 nan 8.280 nan 0.000 0.548 228 T N -2.025 112.604 114.554 0.125 0.000 3.113 228 T HA 0.034 4.384 4.350 -0.000 0.000 0.256 228 T C 1.078 175.812 174.700 0.056 0.000 1.131 228 T CA -0.085 62.081 62.100 0.110 0.000 1.074 228 T CB -0.084 68.859 68.868 0.125 0.000 0.944 228 T HN -0.045 nan 8.240 nan 0.000 0.516 229 S N 3.024 118.713 115.700 -0.018 0.000 3.530 229 S HA 0.285 4.755 4.470 -0.000 0.000 0.279 229 S C 1.034 175.645 174.600 0.018 0.000 1.280 229 S CA -0.387 57.777 58.200 -0.059 0.000 0.946 229 S CB -0.101 62.966 63.200 -0.222 0.000 1.501 229 S HN 0.729 nan 8.310 nan 0.000 0.498 230 T N -1.691 112.905 114.554 0.070 0.000 3.182 230 T HA 0.400 4.749 4.350 -0.000 0.000 0.277 230 T C 1.219 175.990 174.700 0.118 0.000 1.013 230 T CA 0.027 62.194 62.100 0.112 0.000 0.900 230 T CB 0.189 69.133 68.868 0.127 0.000 1.098 230 T HN 0.658 nan 8.240 nan 0.000 0.543 231 G N 2.284 111.163 108.800 0.132 0.000 2.321 231 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.287 231 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.287 231 G C 0.498 175.405 174.900 0.012 0.000 1.018 231 G CA 0.434 45.604 45.100 0.118 0.000 0.855 231 G HN 0.522 nan 8.290 nan 0.000 0.507 232 D N 0.036 120.426 120.400 -0.016 0.000 2.158 232 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 232 D C 2.399 178.628 176.300 -0.119 0.000 0.995 232 D CA 1.890 55.835 54.000 -0.091 0.000 0.846 232 D CB -0.646 40.017 40.800 -0.228 0.000 0.941 232 D HN 0.584 nan 8.370 nan 0.000 0.456 233 G N -0.306 108.432 108.800 -0.104 0.000 2.408 233 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.215 233 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.215 233 G C 1.681 176.534 174.900 -0.078 0.000 1.156 233 G CA 1.060 46.100 45.100 -0.101 0.000 0.793 233 G HN 0.219 nan 8.290 nan 0.000 0.535 234 T N 1.954 116.473 114.554 -0.058 0.000 2.720 234 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 234 T C 2.799 177.442 174.700 -0.094 0.000 1.037 234 T CA 1.614 63.674 62.100 -0.068 0.000 1.144 234 T CB -0.376 68.461 68.868 -0.053 0.000 0.864 234 T HN 0.353 nan 8.240 nan 0.000 0.444 235 A N 1.615 124.383 122.820 -0.087 0.000 1.902 235 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 235 A C 2.335 179.884 177.584 -0.058 0.000 1.181 235 A CA 1.518 53.512 52.037 -0.072 0.000 0.623 235 A CB -0.702 18.271 19.000 -0.045 0.000 0.818 235 A HN 0.490 nan 8.150 nan 0.000 0.443 236 M N -0.441 119.119 119.600 -0.066 0.000 2.374 236 M HA -0.101 4.378 4.480 -0.000 0.000 0.264 236 M C 1.929 178.195 176.300 -0.056 0.000 1.067 236 M CA 0.927 56.192 55.300 -0.059 0.000 1.103 236 M CB -0.447 32.108 32.600 -0.075 0.000 1.402 236 M HN 0.277 nan 8.290 nan 0.000 0.444 237 V N -0.119 119.753 119.914 -0.070 0.000 2.255 237 V HA -0.200 3.920 4.120 -0.000 0.000 0.243 237 V C 2.333 178.385 176.094 -0.071 0.000 1.038 237 V CA 2.228 64.483 62.300 -0.075 0.000 1.008 237 V CB -1.233 30.532 31.823 -0.096 0.000 0.645 237 V HN 0.426 nan 8.190 nan 0.000 0.449 238 T N 0.225 114.729 114.554 -0.084 0.000 2.620 238 T HA -0.306 4.044 4.350 -0.000 0.000 0.267 238 T C 1.962 176.643 174.700 -0.032 0.000 1.044 238 T CA 2.038 64.093 62.100 -0.074 0.000 1.161 238 T CB -0.369 68.451 68.868 -0.080 0.000 0.862 238 T HN 0.400 nan 8.240 nan 0.000 0.438 239 R N 0.732 121.217 120.500 -0.024 0.000 2.285 239 R HA 0.169 4.509 4.340 -0.000 0.000 0.213 239 R C 2.383 178.680 176.300 -0.004 0.000 1.068 239 R CA 0.770 56.867 56.100 -0.006 0.000 1.004 239 R CB -0.183 30.116 30.300 -0.001 0.000 0.873 239 R HN 0.356 nan 8.270 nan 0.000 0.467 240 A N -0.012 122.801 122.820 -0.012 0.000 2.251 240 A HA 0.222 4.542 4.320 -0.000 0.000 0.209 240 A C 1.465 179.054 177.584 0.008 0.000 1.187 240 A CA 0.749 52.782 52.037 -0.007 0.000 0.823 240 A CB 0.067 19.055 19.000 -0.020 0.000 0.846 240 A HN 0.403 nan 8.150 nan 0.000 0.486 241 G N -1.360 107.453 108.800 0.022 0.000 2.176 241 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.253 241 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.253 241 G C 0.128 175.098 174.900 0.116 0.000 0.979 241 G CA 0.337 45.481 45.100 0.073 0.000 0.641 241 G HN 0.439 nan 8.290 nan 0.000 0.530 242 L N 2.126 123.360 121.223 0.018 0.000 2.439 242 L HA 0.526 4.866 4.340 -0.000 0.000 0.261 242 L C -1.304 175.425 176.870 -0.236 0.000 1.153 242 L CA -2.100 52.715 54.840 -0.041 0.000 0.808 242 L CB 0.888 42.908 42.059 -0.066 0.000 1.126 242 L HN 0.008 nan 8.230 nan 0.000 0.460 243 P HA 0.223 nan 4.420 nan 0.000 0.282 243 P C -1.271 175.790 177.300 -0.399 0.000 1.259 243 P CA -0.562 62.064 63.100 -0.790 0.000 0.826 243 P CB 1.617 32.718 31.700 -0.998 0.000 1.064 244 C N 1.155 120.241 119.300 -0.355 0.000 2.470 244 C HA 0.584 5.044 4.460 -0.000 0.000 0.341 244 C C 0.315 175.201 174.990 -0.174 0.000 1.190 244 C CA -0.028 58.865 59.018 -0.208 0.000 1.904 244 C CB 1.409 29.049 27.740 -0.167 0.000 2.354 244 C HN 0.622 nan 8.230 nan 0.000 0.509 245 Q N 0.750 120.487 119.800 -0.105 0.000 2.351 245 Q HA 0.262 4.602 4.340 -0.000 0.000 0.273 245 Q C -0.655 175.374 176.000 0.048 0.000 1.077 245 Q CA -0.349 55.421 55.803 -0.056 0.000 0.843 245 Q CB 1.062 29.728 28.738 -0.120 0.000 1.367 245 Q HN 0.786 nan 8.270 nan 0.000 0.449 246 D N 2.602 123.097 120.400 0.158 0.000 2.730 246 D HA -0.221 4.419 4.640 -0.000 0.000 0.227 246 D C 0.681 177.173 176.300 0.320 0.000 1.196 246 D CA 0.735 54.956 54.000 0.368 0.000 0.620 246 D CB -0.588 40.453 40.800 0.402 0.000 1.012 246 D HN 0.606 nan 8.370 nan 0.000 0.411 247 L N 0.214 121.540 121.223 0.172 0.000 2.291 247 L HA -0.138 4.202 4.340 -0.000 0.000 0.214 247 L C 2.540 179.495 176.870 0.141 0.000 1.120 247 L CA 0.968 55.912 54.840 0.174 0.000 0.799 247 L CB -0.262 41.853 42.059 0.093 0.000 0.925 247 L HN 0.195 nan 8.230 nan 0.000 0.446 248 E N 0.371 120.565 120.200 -0.011 0.000 2.482 248 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 248 E C 0.237 176.656 176.600 -0.300 0.000 1.047 248 E CA 0.293 56.575 56.400 -0.197 0.000 0.869 248 E CB -0.229 29.185 29.700 -0.478 0.000 0.836 248 E HN 0.313 nan 8.360 nan 0.000 0.520 249 F N 1.924 121.912 119.950 0.063 0.000 2.515 249 F HA 0.203 4.730 4.527 -0.000 0.000 0.353 249 F C -0.062 175.773 175.800 0.060 0.000 1.213 249 F CA -0.517 57.536 58.000 0.088 0.000 1.194 249 F CB 0.824 39.883 39.000 0.099 0.000 1.488 249 F HN -0.277 nan 8.300 nan 0.000 0.619 250 V N 3.126 123.119 119.914 0.132 0.000 2.394 250 V HA 0.232 4.352 4.120 -0.000 0.000 0.282 250 V C -0.047 176.025 176.094 -0.037 0.000 1.031 250 V CA -0.827 61.450 62.300 -0.039 0.000 0.881 250 V CB 1.605 33.336 31.823 -0.153 0.000 0.982 250 V HN 0.562 nan 8.190 nan 0.000 0.451 251 Q N 3.904 123.658 119.800 -0.076 0.000 2.274 251 Q HA 0.438 4.778 4.340 -0.000 0.000 0.256 251 Q C -1.595 174.328 176.000 -0.128 0.000 0.927 251 Q CA -0.417 55.409 55.803 0.039 0.000 0.939 251 Q CB 0.795 29.642 28.738 0.181 0.000 1.201 251 Q HN 0.602 nan 8.270 nan 0.000 0.426 252 F N 3.386 123.330 119.950 -0.010 0.000 2.385 252 F HA 0.211 4.738 4.527 -0.000 0.000 0.360 252 F C 0.495 176.289 175.800 -0.010 0.000 1.122 252 F CA -0.711 57.272 58.000 -0.030 0.000 1.090 252 F CB 0.799 39.750 39.000 -0.081 0.000 1.150 252 F HN 0.563 nan 8.300 nan 0.000 0.472 253 H N 5.622 124.713 119.070 0.035 0.000 2.764 253 H HA 0.125 4.681 4.556 -0.000 0.000 0.341 253 H C -1.848 173.455 175.328 -0.043 0.000 1.072 253 H CA -1.755 54.232 56.048 -0.102 0.000 1.444 253 H CB 1.720 31.221 29.762 -0.434 0.000 1.458 253 H HN 0.328 nan 8.280 nan 0.000 0.572 254 P HA -0.121 nan 4.420 nan 0.000 0.216 254 P C 0.202 177.595 177.300 0.154 0.000 1.153 254 P CA 2.031 65.116 63.100 -0.025 0.000 0.858 254 P CB 0.187 31.785 31.700 -0.170 0.000 0.789 255 T N -3.394 111.391 114.554 0.386 0.000 3.331 255 T HA 0.607 4.957 4.350 -0.000 0.000 0.381 255 T C 0.298 175.027 174.700 0.048 0.000 1.656 255 T CA -0.889 61.332 62.100 0.201 0.000 1.453 255 T CB 0.109 69.061 68.868 0.140 0.000 1.066 255 T HN -0.011 nan 8.240 nan 0.000 0.655 256 G N 1.989 110.814 108.800 0.043 0.000 2.377 256 G HA2 0.572 4.532 3.960 -0.000 0.000 0.299 256 G HA3 0.572 4.532 3.960 -0.000 0.000 0.299 256 G C -0.189 174.720 174.900 0.015 0.000 1.150 256 G CA -0.968 44.111 45.100 -0.034 0.000 0.847 256 G HN 0.876 nan 8.290 nan 0.000 0.501 257 I N 1.671 122.229 120.570 -0.020 0.000 2.648 257 I HA 0.140 4.310 4.170 -0.000 0.000 0.284 257 I C 0.015 176.160 176.117 0.047 0.000 1.153 257 I CA -0.766 60.547 61.300 0.022 0.000 1.426 257 I CB 0.457 38.455 38.000 -0.005 0.000 1.381 257 I HN 0.522 nan 8.210 nan 0.000 0.571 258 Y N 7.914 128.186 120.300 -0.047 0.000 2.650 258 Y HA 0.337 4.886 4.550 -0.000 0.000 0.331 258 Y C 0.860 176.749 175.900 -0.019 0.000 1.165 258 Y CA 0.932 58.997 58.100 -0.059 0.000 1.473 258 Y CB 0.183 38.496 38.460 -0.245 0.000 1.224 258 Y HN 0.854 nan 8.280 nan 0.000 0.533 259 G N 3.952 112.402 108.800 -0.584 0.000 4.686 259 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.235 259 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.235 259 G C 1.165 175.937 174.900 -0.212 0.000 1.589 259 G CA 0.221 45.049 45.100 -0.454 0.000 1.172 259 G HN 1.304 nan 8.290 nan 0.000 0.660 260 A N 0.179 122.922 122.820 -0.128 0.000 1.969 260 A HA 0.441 4.761 4.320 -0.000 0.000 0.218 260 A C 3.123 180.582 177.584 -0.207 0.000 1.169 260 A CA 3.129 55.078 52.037 -0.146 0.000 0.635 260 A CB -0.850 18.024 19.000 -0.210 0.000 0.810 260 A HN 2.840 nan 8.150 nan 0.000 0.445 261 G N -2.297 106.398 108.800 -0.175 0.000 2.241 261 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 261 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 261 G C 0.435 175.237 174.900 -0.163 0.000 0.998 261 G CA 0.023 45.035 45.100 -0.146 0.000 0.621 261 G HN 0.922 nan 8.290 nan 0.000 0.519 262 C N 1.585 120.732 119.300 -0.256 0.000 2.550 262 C HA 0.401 4.861 4.460 -0.000 0.000 0.406 262 C C 1.286 176.173 174.990 -0.171 0.000 1.366 262 C CA 0.080 58.943 59.018 -0.257 0.000 1.712 262 C CB -0.618 26.864 27.740 -0.429 0.000 2.613 262 C HN 0.841 nan 8.230 nan 0.000 0.608 263 L N 4.527 125.663 121.223 -0.146 0.000 2.439 263 L HA 0.459 4.799 4.340 -0.000 0.000 0.269 263 L C -0.224 176.541 176.870 -0.176 0.000 1.179 263 L CA 0.542 55.255 54.840 -0.212 0.000 0.828 263 L CB 0.146 42.074 42.059 -0.217 0.000 1.106 263 L HN 0.515 nan 8.230 nan 0.000 0.467 264 I N 4.681 125.134 120.570 -0.194 0.000 2.428 264 I HA 0.121 4.291 4.170 -0.000 0.000 0.279 264 I C 0.548 176.609 176.117 -0.093 0.000 1.040 264 I CA -0.228 61.018 61.300 -0.090 0.000 1.171 264 I CB 0.360 38.343 38.000 -0.029 0.000 1.312 264 I HN 0.760 nan 8.210 nan 0.000 0.470 265 T N 3.624 118.141 114.554 -0.061 0.000 2.826 265 T HA -0.186 4.163 4.350 -0.000 0.000 0.301 265 T C 1.392 176.101 174.700 0.015 0.000 1.038 265 T CA 0.913 63.026 62.100 0.021 0.000 1.134 265 T CB 0.424 69.353 68.868 0.103 0.000 1.083 265 T HN 0.740 nan 8.240 nan 0.000 0.494 266 E N 2.080 122.272 120.200 -0.013 0.000 2.347 266 E HA -0.021 4.329 4.350 -0.000 0.000 0.196 266 E C 2.142 178.412 176.600 -0.550 0.000 1.008 266 E CA 0.806 57.002 56.400 -0.340 0.000 0.852 266 E CB -0.693 28.616 29.700 -0.651 0.000 0.783 266 E HN 0.923 nan 8.360 nan 0.000 0.505 267 G N 0.405 108.991 108.800 -0.356 0.000 2.485 267 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.221 267 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.221 267 G C 1.562 176.418 174.900 -0.073 0.000 1.115 267 G CA 0.920 45.953 45.100 -0.111 0.000 0.751 267 G HN 0.369 nan 8.290 nan 0.000 0.567 268 C N -0.215 119.041 119.300 -0.074 0.000 2.432 268 C HA 0.030 4.490 4.460 -0.000 0.000 0.277 268 C C 2.940 177.889 174.990 -0.069 0.000 1.249 268 C CA 0.791 59.781 59.018 -0.048 0.000 1.725 268 C CB -0.790 26.930 27.740 -0.033 0.000 2.028 268 C HN 0.476 nan 8.230 nan 0.000 0.477 269 R N 0.371 120.799 120.500 -0.121 0.000 2.115 269 R HA -0.035 4.305 4.340 -0.000 0.000 0.230 269 R C 2.413 178.643 176.300 -0.117 0.000 1.111 269 R CA 1.345 57.374 56.100 -0.118 0.000 0.976 269 R CB -0.591 29.613 30.300 -0.160 0.000 0.870 269 R HN 0.644 nan 8.270 nan 0.000 0.445 270 G N 0.884 109.580 108.800 -0.173 0.000 2.432 270 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 270 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 270 G C 1.113 176.022 174.900 0.015 0.000 1.135 270 G CA 0.413 45.453 45.100 -0.101 0.000 0.767 270 G HN 0.218 nan 8.290 nan 0.000 0.550 271 E N 0.123 120.339 120.200 0.027 0.000 2.489 271 E HA 0.175 4.525 4.350 -0.000 0.000 0.193 271 E C 1.660 178.282 176.600 0.036 0.000 1.057 271 E CA 0.608 57.046 56.400 0.063 0.000 0.866 271 E CB 0.343 30.079 29.700 0.060 0.000 0.916 271 E HN 0.479 nan 8.360 nan 0.000 0.500 272 G N 0.726 109.543 108.800 0.028 0.000 2.183 272 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.168 272 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.168 272 G C 0.582 175.568 174.900 0.142 0.000 1.008 272 G CA -0.319 44.822 45.100 0.069 0.000 0.677 272 G HN 0.429 nan 8.290 nan 0.000 0.498 273 G N 0.211 109.041 108.800 0.049 0.000 2.569 273 G HA2 0.688 4.648 3.960 -0.000 0.000 0.249 273 G HA3 0.688 4.648 3.960 -0.000 0.000 0.249 273 G C 0.171 175.104 174.900 0.055 0.000 1.216 273 G CA 0.138 45.282 45.100 0.073 0.000 0.845 273 G HN 1.475 nan 8.290 nan 0.000 0.568 274 I N -1.400 119.196 120.570 0.044 0.000 2.686 274 I HA 0.559 4.728 4.170 -0.000 0.000 0.295 274 I C -0.755 175.300 176.117 -0.103 0.000 1.114 274 I CA -1.275 59.977 61.300 -0.081 0.000 1.038 274 I CB 2.220 40.124 38.000 -0.161 0.000 1.238 274 I HN 0.219 nan 8.210 nan 0.000 0.420 275 L N 5.680 126.776 121.223 -0.212 0.000 2.326 275 L HA 0.558 4.898 4.340 -0.000 0.000 0.278 275 L C -0.429 176.218 176.870 -0.373 0.000 1.092 275 L CA -0.365 54.344 54.840 -0.217 0.000 0.810 275 L CB 1.285 43.187 42.059 -0.262 0.000 1.153 275 L HN 0.520 nan 8.230 nan 0.000 0.439 276 I N 2.545 123.136 120.570 0.036 0.000 2.569 276 I HA 0.228 4.398 4.170 -0.000 0.000 0.290 276 I C -0.508 175.867 176.117 0.430 0.000 1.088 276 I CA -0.833 60.573 61.300 0.177 0.000 1.047 276 I CB 2.214 40.295 38.000 0.135 0.000 1.237 276 I HN 0.663 nan 8.210 nan 0.000 0.421 277 N N 2.699 121.704 118.700 0.507 0.000 2.364 277 N HA 0.062 4.802 4.740 -0.000 0.000 0.264 277 N C 0.818 176.341 175.510 0.021 0.000 1.263 277 N CA -0.469 52.694 53.050 0.188 0.000 0.959 277 N CB 0.317 38.866 38.487 0.104 0.000 1.204 277 N HN 0.532 nan 8.380 nan 0.000 0.550 278 S N -2.484 113.163 115.700 -0.088 0.000 2.653 278 S HA -0.082 4.388 4.470 -0.000 0.000 0.233 278 S C 0.548 175.133 174.600 -0.026 0.000 0.970 278 S CA 0.449 58.584 58.200 -0.108 0.000 0.947 278 S CB -0.662 62.449 63.200 -0.148 0.000 0.771 278 S HN 0.675 nan 8.310 nan 0.000 0.538 279 Q N -0.301 119.510 119.800 0.019 0.000 2.112 279 Q HA 0.333 4.673 4.340 -0.000 0.000 0.222 279 Q C 0.948 176.985 176.000 0.062 0.000 0.798 279 Q CA 0.121 55.945 55.803 0.035 0.000 1.060 279 Q CB 0.755 29.510 28.738 0.027 0.000 1.184 279 Q HN 0.689 nan 8.270 nan 0.000 0.475 280 G N 1.652 110.503 108.800 0.085 0.000 2.168 280 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.263 280 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.263 280 G C 0.020 174.970 174.900 0.083 0.000 0.977 280 G CA 0.735 45.890 45.100 0.092 0.000 0.659 280 G HN 0.426 nan 8.290 nan 0.000 0.533 281 E N 0.217 120.487 120.200 0.117 0.000 2.313 281 E HA 0.369 4.719 4.350 -0.000 0.000 0.276 281 E C 0.617 177.271 176.600 0.090 0.000 1.031 281 E CA -0.840 55.632 56.400 0.120 0.000 0.857 281 E CB 0.332 30.135 29.700 0.171 0.000 1.040 281 E HN 0.302 nan 8.360 nan 0.000 0.408 282 R N 5.505 125.982 120.500 -0.037 0.000 3.657 282 R HA 0.068 4.408 4.340 -0.000 0.000 0.220 282 R C 0.620 176.796 176.300 -0.205 0.000 1.548 282 R CA -0.191 55.769 56.100 -0.233 0.000 1.465 282 R CB -0.543 29.654 30.300 -0.172 0.000 1.330 282 R HN 0.576 nan 8.270 nan 0.000 0.707 283 F N 0.489 120.488 119.950 0.082 0.000 2.225 283 F HA -0.260 4.267 4.527 -0.000 0.000 0.302 283 F C 1.422 177.375 175.800 0.255 0.000 1.068 283 F CA 0.661 58.764 58.000 0.171 0.000 1.327 283 F CB -0.446 38.697 39.000 0.237 0.000 1.043 283 F HN 0.244 nan 8.300 nan 0.000 0.506 284 M N 0.945 120.521 119.600 -0.040 0.000 2.358 284 M HA -0.145 4.335 4.480 -0.000 0.000 0.264 284 M C 1.862 178.238 176.300 0.126 0.000 1.064 284 M CA 1.220 56.592 55.300 0.120 0.000 1.093 284 M CB -1.265 31.293 32.600 -0.070 0.000 1.401 284 M HN 0.403 nan 8.290 nan 0.000 0.440 285 E N -0.378 119.852 120.200 0.049 0.000 2.401 285 E HA -0.189 4.161 4.350 -0.000 0.000 0.199 285 E C 2.014 178.655 176.600 0.069 0.000 1.023 285 E CA 0.585 57.011 56.400 0.043 0.000 0.859 285 E CB -0.049 29.655 29.700 0.007 0.000 0.780 285 E HN 0.468 nan 8.360 nan 0.000 0.523 286 R N -0.678 119.894 120.500 0.119 0.000 2.225 286 R HA 0.006 4.346 4.340 -0.000 0.000 0.194 286 R C 1.106 177.403 176.300 -0.006 0.000 0.957 286 R CA 0.385 56.501 56.100 0.027 0.000 1.042 286 R CB 0.260 30.538 30.300 -0.036 0.000 1.004 286 R HN 0.103 nan 8.270 nan 0.000 0.509 287 Y N -0.584 119.775 120.300 0.099 0.000 2.509 287 Y HA 0.421 4.971 4.550 -0.000 0.000 0.270 287 Y C 0.549 176.508 175.900 0.097 0.000 1.103 287 Y CA 0.372 58.534 58.100 0.103 0.000 1.278 287 Y CB 1.064 39.605 38.460 0.134 0.000 1.087 287 Y HN 0.117 nan 8.280 nan 0.000 0.542 288 A N -0.460 122.507 122.820 0.245 0.000 3.300 288 A HA 0.424 4.744 4.320 -0.000 0.000 0.300 288 A C -2.229 175.430 177.584 0.124 0.000 1.099 288 A CA -1.053 51.093 52.037 0.182 0.000 0.846 288 A CB 0.187 19.299 19.000 0.186 0.000 1.255 288 A HN -0.018 nan 8.150 nan 0.000 0.519 289 P HA -0.210 nan 4.420 nan 0.000 0.218 289 P C 1.503 178.835 177.300 0.054 0.000 1.150 289 P CA 1.726 64.863 63.100 0.062 0.000 0.841 289 P CB 0.294 32.021 31.700 0.045 0.000 0.784 290 V N -0.711 119.245 119.914 0.069 0.000 2.341 290 V HA -0.018 4.102 4.120 -0.000 0.000 0.240 290 V C 2.366 178.499 176.094 0.065 0.000 1.035 290 V CA 1.904 64.240 62.300 0.061 0.000 1.033 290 V CB -1.723 30.140 31.823 0.066 0.000 0.678 290 V HN 0.034 nan 8.190 nan 0.000 0.464 291 A N -1.164 121.715 122.820 0.099 0.000 2.014 291 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 291 A C 1.535 179.136 177.584 0.029 0.000 1.163 291 A CA 1.297 53.382 52.037 0.080 0.000 0.652 291 A CB -0.206 18.879 19.000 0.141 0.000 0.808 291 A HN 0.613 nan 8.150 nan 0.000 0.449 292 K N -1.523 118.902 120.400 0.040 0.000 1.692 292 K HA -0.317 4.003 4.320 -0.000 0.000 0.132 292 K C 0.575 177.155 176.600 -0.033 0.000 1.028 292 K CA 2.095 58.387 56.287 0.008 0.000 0.304 292 K CB -1.436 31.053 32.500 -0.019 0.000 0.686 292 K HN 0.397 nan 8.250 nan 0.000 0.815 293 D N 0.985 121.340 120.400 -0.075 0.000 2.371 293 D HA 0.038 4.678 4.640 -0.000 0.000 0.221 293 D C 0.839 177.066 176.300 -0.122 0.000 0.986 293 D CA 0.732 54.667 54.000 -0.109 0.000 0.899 293 D CB 0.036 40.762 40.800 -0.124 0.000 0.902 293 D HN 0.185 nan 8.370 nan 0.000 0.530 294 L N 0.458 121.619 121.223 -0.104 0.000 2.912 294 L HA 0.411 4.751 4.340 -0.000 0.000 0.240 294 L C 0.717 177.487 176.870 -0.166 0.000 1.262 294 L CA -0.653 54.107 54.840 -0.134 0.000 1.058 294 L CB -0.045 41.954 42.059 -0.101 0.000 1.383 294 L HN -0.004 nan 8.230 nan 0.000 0.512 295 A N 0.074 122.783 122.820 -0.185 0.000 2.251 295 A HA 0.482 4.802 4.320 -0.000 0.000 0.278 295 A C 0.795 178.048 177.584 -0.553 0.000 1.206 295 A CA -0.142 51.695 52.037 -0.332 0.000 0.822 295 A CB 0.352 19.278 19.000 -0.123 0.000 1.187 295 A HN 0.373 nan 8.150 nan 0.000 0.504 296 S N -0.923 114.228 115.700 -0.914 0.000 2.589 296 S HA 0.174 4.644 4.470 -0.000 0.000 0.265 296 S C 0.962 175.393 174.600 -0.282 0.000 1.342 296 S CA 0.082 57.935 58.200 -0.578 0.000 1.005 296 S CB 0.473 63.399 63.200 -0.456 0.000 0.909 296 S HN 0.635 nan 8.310 nan 0.000 0.555 297 R N 1.123 121.502 120.500 -0.201 0.000 2.081 297 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 297 R C 1.994 178.236 176.300 -0.097 0.000 1.131 297 R CA 1.758 57.754 56.100 -0.173 0.000 0.960 297 R CB -0.646 29.555 30.300 -0.165 0.000 0.856 297 R HN 0.911 nan 8.270 nan 0.000 0.436 298 D N 0.519 120.897 120.400 -0.037 0.000 2.123 298 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 298 D C 1.855 178.132 176.300 -0.039 0.000 0.992 298 D CA 1.079 55.078 54.000 -0.001 0.000 0.833 298 D CB -0.582 40.256 40.800 0.063 0.000 0.954 298 D HN 0.068 nan 8.370 nan 0.000 0.455 299 V N 0.858 120.758 119.914 -0.023 0.000 2.244 299 V HA -0.222 3.898 4.120 -0.000 0.000 0.244 299 V C 2.976 179.037 176.094 -0.055 0.000 1.042 299 V CA 1.486 63.787 62.300 0.001 0.000 1.006 299 V CB -0.427 31.433 31.823 0.062 0.000 0.641 299 V HN 0.111 nan 8.190 nan 0.000 0.446 300 V N -0.264 119.598 119.914 -0.087 0.000 2.282 300 V HA -0.285 3.834 4.120 -0.000 0.000 0.249 300 V C 2.574 178.611 176.094 -0.095 0.000 1.057 300 V CA 2.451 64.697 62.300 -0.090 0.000 1.032 300 V CB -0.897 30.858 31.823 -0.115 0.000 0.645 300 V HN 0.531 nan 8.190 nan 0.000 0.447 301 S N -0.955 114.684 115.700 -0.102 0.000 2.382 301 S HA -0.181 4.289 4.470 -0.000 0.000 0.228 301 S C 2.129 176.628 174.600 -0.169 0.000 1.027 301 S CA 1.451 59.588 58.200 -0.105 0.000 0.991 301 S CB -0.282 62.874 63.200 -0.073 0.000 0.823 301 S HN 0.523 nan 8.310 nan 0.000 0.469 302 R N 0.868 121.251 120.500 -0.195 0.000 2.066 302 R HA -0.004 4.336 4.340 -0.000 0.000 0.232 302 R C 2.632 178.890 176.300 -0.069 0.000 1.131 302 R CA 1.538 57.516 56.100 -0.203 0.000 0.955 302 R CB -0.522 29.692 30.300 -0.143 0.000 0.851 302 R HN 0.301 nan 8.270 nan 0.000 0.432 303 S N 1.175 116.740 115.700 -0.225 0.000 2.374 303 S HA -0.203 4.267 4.470 -0.000 0.000 0.227 303 S C 1.949 176.225 174.600 -0.540 0.000 1.037 303 S CA 1.581 59.383 58.200 -0.664 0.000 1.024 303 S CB -0.178 62.541 63.200 -0.802 0.000 0.861 303 S HN 0.264 nan 8.310 nan 0.000 0.456 304 M N 0.873 120.307 119.600 -0.277 0.000 2.175 304 M HA -0.079 4.401 4.480 -0.000 0.000 0.264 304 M C 2.342 178.512 176.300 -0.216 0.000 1.063 304 M CA 1.184 56.333 55.300 -0.252 0.000 1.119 304 M CB -0.777 31.788 32.600 -0.057 0.000 1.377 304 M HN 0.259 nan 8.290 nan 0.000 0.415 305 T N 1.005 115.489 114.554 -0.117 0.000 2.708 305 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 305 T C 1.733 176.430 174.700 -0.004 0.000 1.037 305 T CA 1.262 63.345 62.100 -0.027 0.000 1.146 305 T CB -0.311 68.575 68.868 0.030 0.000 0.865 305 T HN 0.306 nan 8.240 nan 0.000 0.435 306 I N 1.020 121.603 120.570 0.022 0.000 2.179 306 I HA -0.153 4.017 4.170 -0.000 0.000 0.242 306 I C 2.741 178.817 176.117 -0.069 0.000 1.088 306 I CA 1.098 62.393 61.300 -0.009 0.000 1.357 306 I CB -0.377 37.660 38.000 0.062 0.000 1.051 306 I HN 0.144 nan 8.210 nan 0.000 0.409 307 E N 0.839 120.947 120.200 -0.154 0.000 2.130 307 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 307 E C 2.222 178.701 176.600 -0.201 0.000 0.998 307 E CA 1.492 57.748 56.400 -0.239 0.000 0.806 307 E CB -0.257 29.091 29.700 -0.587 0.000 0.738 307 E HN 0.566 nan 8.360 nan 0.000 0.459 308 I N 0.861 121.322 120.570 -0.181 0.000 2.162 308 I HA -0.234 3.936 4.170 -0.000 0.000 0.238 308 I C 2.653 178.708 176.117 -0.103 0.000 1.076 308 I CA 1.192 62.405 61.300 -0.144 0.000 1.353 308 I CB -0.297 37.634 38.000 -0.114 0.000 1.063 308 I HN 0.073 nan 8.210 nan 0.000 0.408 309 R N 1.182 121.636 120.500 -0.077 0.000 2.237 309 R HA -0.094 4.246 4.340 -0.000 0.000 0.219 309 R C 1.372 177.629 176.300 -0.072 0.000 1.080 309 R CA 1.158 57.220 56.100 -0.065 0.000 0.995 309 R CB -0.462 29.806 30.300 -0.054 0.000 0.875 309 R HN 0.412 nan 8.270 nan 0.000 0.462 310 E N 0.204 120.356 120.200 -0.079 0.000 2.489 310 E HA 0.048 4.398 4.350 -0.000 0.000 0.193 310 E C 0.508 177.064 176.600 -0.072 0.000 1.057 310 E CA 0.415 56.772 56.400 -0.071 0.000 0.866 310 E CB 0.467 30.130 29.700 -0.061 0.000 0.916 310 E HN 0.715 nan 8.360 nan 0.000 0.500 311 G N 1.809 110.559 108.800 -0.084 0.000 2.176 311 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.232 311 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.232 311 G C 0.850 175.690 174.900 -0.099 0.000 0.986 311 G CA 0.032 45.081 45.100 -0.084 0.000 0.643 311 G HN 0.226 nan 8.290 nan 0.000 0.522 312 R N 0.881 121.311 120.500 -0.116 0.000 2.391 312 R HA 0.365 4.705 4.340 -0.000 0.000 0.249 312 R C 1.503 177.697 176.300 -0.178 0.000 0.957 312 R CA 0.286 56.310 56.100 -0.126 0.000 1.093 312 R CB 0.375 30.610 30.300 -0.109 0.000 1.156 312 R HN 0.368 nan 8.270 nan 0.000 0.526 313 G N 0.348 109.028 108.800 -0.201 0.000 2.527 313 G HA2 0.235 4.195 3.960 -0.000 0.000 0.248 313 G HA3 0.235 4.195 3.960 -0.000 0.000 0.248 313 G C 0.032 174.727 174.900 -0.343 0.000 1.231 313 G CA -0.520 44.419 45.100 -0.267 0.000 0.838 313 G HN 0.182 nan 8.290 nan 0.000 0.570 314 C N -0.219 118.780 119.300 -0.502 0.000 2.325 314 C HA 1.000 5.460 4.460 -0.000 0.000 0.370 314 C C 1.022 175.538 174.990 -0.791 0.000 1.217 314 C CA 0.426 59.081 59.018 -0.605 0.000 2.254 314 C CB 0.407 27.583 27.740 -0.941 0.000 2.282 314 C HN 1.681 nan 8.230 nan 0.000 0.564 315 G N 1.582 110.143 108.800 -0.398 0.000 2.707 315 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.686 315 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.686 315 G C -1.693 173.120 174.900 -0.145 0.000 1.315 315 G CA -0.125 44.857 45.100 -0.197 0.000 0.832 315 G HN 0.482 nan 8.290 nan 0.000 0.573 316 P HA -0.066 nan 4.420 nan 0.000 0.218 316 P C 0.818 178.098 177.300 -0.033 0.000 1.146 316 P CA 1.691 64.790 63.100 -0.001 0.000 0.813 316 P CB 0.167 31.902 31.700 0.059 0.000 0.778 317 E N -0.640 119.520 120.200 -0.066 0.000 2.501 317 E HA 0.079 4.428 4.350 -0.000 0.000 0.201 317 E C 0.341 176.855 176.600 -0.142 0.000 1.016 317 E CA -0.366 55.998 56.400 -0.059 0.000 0.920 317 E CB -0.087 29.624 29.700 0.018 0.000 1.023 317 E HN 0.233 nan 8.360 nan 0.000 0.474 318 K N 1.993 122.245 120.400 -0.246 0.000 3.213 318 K HA -0.185 4.135 4.320 -0.000 0.000 0.266 318 K C -0.138 176.292 176.600 -0.284 0.000 0.911 318 K CA 1.202 57.312 56.287 -0.295 0.000 0.684 318 K CB -1.142 31.249 32.500 -0.182 0.000 1.402 318 K HN 0.300 nan 8.250 nan 0.000 0.465 319 D N -0.909 119.267 120.400 -0.373 0.000 2.469 319 D HA 0.008 4.648 4.640 -0.000 0.000 0.215 319 D C 0.659 176.858 176.300 -0.168 0.000 1.154 319 D CA 0.103 53.985 54.000 -0.197 0.000 0.832 319 D CB 0.102 40.888 40.800 -0.024 0.000 1.008 319 D HN 0.651 nan 8.370 nan 0.000 0.506 320 H N -1.888 117.028 119.070 -0.256 0.000 2.960 320 H HA 0.630 5.186 4.556 -0.000 0.000 0.323 320 H C -0.895 174.309 175.328 -0.207 0.000 1.326 320 H CA -1.105 54.815 56.048 -0.212 0.000 1.124 320 H CB 1.459 31.009 29.762 -0.354 0.000 1.853 320 H HN -0.068 nan 8.280 nan 0.000 0.536 321 V N -1.874 118.104 119.914 0.106 0.000 3.164 321 V HA 0.549 4.669 4.120 -0.000 0.000 0.313 321 V C -1.128 175.108 176.094 0.236 0.000 1.188 321 V CA -1.095 61.227 62.300 0.035 0.000 1.058 321 V CB 2.000 33.881 31.823 0.096 0.000 1.110 321 V HN 0.793 nan 8.190 nan 0.000 0.453 322 Y N 0.858 121.278 120.300 0.200 0.000 2.341 322 Y HA 0.652 5.202 4.550 -0.000 0.000 0.337 322 Y C -0.267 175.699 175.900 0.109 0.000 1.014 322 Y CA -1.003 57.188 58.100 0.151 0.000 1.111 322 Y CB 2.121 40.665 38.460 0.140 0.000 1.194 322 Y HN 0.583 nan 8.280 nan 0.000 0.462 323 L N 5.370 126.745 121.223 0.253 0.000 2.255 323 L HA 0.281 4.621 4.340 -0.000 0.000 0.289 323 L C -0.450 176.466 176.870 0.077 0.000 1.046 323 L CA -0.279 54.636 54.840 0.124 0.000 0.816 323 L CB 1.023 43.133 42.059 0.086 0.000 1.197 323 L HN 0.637 nan 8.230 nan 0.000 0.427 324 Q N 4.606 124.436 119.800 0.049 0.000 2.290 324 Q HA 0.419 4.759 4.340 -0.000 0.000 0.259 324 Q C -0.609 175.384 176.000 -0.012 0.000 0.941 324 Q CA -0.383 55.402 55.803 -0.029 0.000 0.912 324 Q CB 1.194 29.872 28.738 -0.100 0.000 1.244 324 Q HN 0.943 nan 8.270 nan 0.000 0.441 325 L N 3.369 124.512 121.223 -0.134 0.000 2.948 325 L HA 0.079 4.419 4.340 -0.000 0.000 0.259 325 L C 1.870 178.535 176.870 -0.341 0.000 1.136 325 L CA -0.181 54.519 54.840 -0.233 0.000 0.959 325 L CB -0.084 41.905 42.059 -0.117 0.000 1.370 325 L HN 0.777 nan 8.230 nan 0.000 0.552 326 H N 0.440 119.486 119.070 -0.040 0.000 2.518 326 H HA -0.182 4.373 4.556 -0.000 0.000 0.292 326 H C 1.647 176.961 175.328 -0.023 0.000 1.068 326 H CA 1.488 57.518 56.048 -0.030 0.000 1.275 326 H CB -0.490 29.281 29.762 0.016 0.000 1.375 326 H HN 0.586 nan 8.280 nan 0.000 0.563 327 H N 0.685 119.713 119.070 -0.070 0.000 2.529 327 H HA 0.186 4.742 4.556 -0.000 0.000 0.277 327 H C 0.741 176.077 175.328 0.014 0.000 0.999 327 H CA -0.196 55.866 56.048 0.023 0.000 1.256 327 H CB -0.353 29.384 29.762 -0.040 0.000 1.402 327 H HN 0.253 nan 8.280 nan 0.000 0.566 328 L N 2.444 123.406 121.223 -0.435 0.000 2.395 328 L HA 0.268 4.608 4.340 -0.000 0.000 0.269 328 L C -2.038 174.771 176.870 -0.100 0.000 1.133 328 L CA -2.103 52.582 54.840 -0.257 0.000 0.812 328 L CB 0.530 42.391 42.059 -0.330 0.000 1.125 328 L HN -0.035 nan 8.230 nan 0.000 0.452 329 P HA 0.004 nan 4.420 nan 0.000 0.266 329 P C -1.968 175.313 177.300 -0.031 0.000 1.195 329 P CA -0.919 62.166 63.100 -0.025 0.000 0.768 329 P CB 0.066 31.756 31.700 -0.017 0.000 0.838 330 P HA -0.218 nan 4.420 nan 0.000 0.218 330 P C 1.378 178.665 177.300 -0.022 0.000 1.149 330 P CA 1.339 64.428 63.100 -0.019 0.000 0.817 330 P CB 0.052 31.746 31.700 -0.010 0.000 0.785 331 Q N 0.573 120.360 119.800 -0.022 0.000 2.167 331 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 331 Q C 2.283 178.263 176.000 -0.033 0.000 0.970 331 Q CA 1.455 57.243 55.803 -0.025 0.000 0.855 331 Q CB -0.280 28.444 28.738 -0.024 0.000 0.911 331 Q HN 0.364 nan 8.270 nan 0.000 0.438 332 Q N -0.175 119.604 119.800 -0.035 0.000 2.083 332 Q HA -0.102 4.238 4.340 -0.000 0.000 0.198 332 Q C 2.251 178.230 176.000 -0.036 0.000 0.969 332 Q CA 0.918 56.697 55.803 -0.039 0.000 0.838 332 Q CB -0.012 28.706 28.738 -0.034 0.000 0.900 332 Q HN 0.423 nan 8.270 nan 0.000 0.436 333 L N 0.351 121.553 121.223 -0.036 0.000 2.017 333 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 333 L C 2.664 179.521 176.870 -0.021 0.000 1.073 333 L CA 1.060 55.882 54.840 -0.031 0.000 0.745 333 L CB -0.755 41.283 42.059 -0.035 0.000 0.894 333 L HN 0.275 nan 8.230 nan 0.000 0.432 334 A N -0.481 122.325 122.820 -0.023 0.000 1.933 334 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 334 A C 2.361 179.931 177.584 -0.023 0.000 1.175 334 A CA 2.307 54.332 52.037 -0.020 0.000 0.628 334 A CB -0.744 18.244 19.000 -0.021 0.000 0.814 334 A HN 0.388 nan 8.150 nan 0.000 0.444 335 T N -1.076 113.457 114.554 -0.034 0.000 2.976 335 T HA 0.017 4.367 4.350 -0.000 0.000 0.257 335 T C 1.951 176.623 174.700 -0.046 0.000 1.051 335 T CA 0.888 62.959 62.100 -0.048 0.000 1.141 335 T CB -0.029 68.793 68.868 -0.077 0.000 0.881 335 T HN 0.346 nan 8.240 nan 0.000 0.461 336 R N 0.483 120.963 120.500 -0.032 0.000 2.225 336 R HA 0.338 4.677 4.340 -0.000 0.000 0.194 336 R C 0.844 177.168 176.300 0.040 0.000 0.957 336 R CA 0.405 56.508 56.100 0.005 0.000 1.042 336 R CB 0.079 30.393 30.300 0.024 0.000 1.004 336 R HN 0.345 nan 8.270 nan 0.000 0.509 337 L N 2.223 123.457 121.223 0.018 0.000 3.255 337 L HA 0.260 4.600 4.340 -0.000 0.000 0.293 337 L C -1.557 175.319 176.870 0.011 0.000 1.302 337 L CA -0.998 53.856 54.840 0.022 0.000 0.977 337 L CB 1.054 43.121 42.059 0.012 0.000 1.390 337 L HN -0.129 nan 8.230 nan 0.000 0.588 338 P HA -0.181 nan 4.420 nan 0.000 0.215 338 P C 1.639 178.939 177.300 0.001 0.000 1.153 338 P CA 1.828 64.927 63.100 -0.002 0.000 0.853 338 P CB 0.333 32.028 31.700 -0.007 0.000 0.788 339 G N 1.438 110.240 108.800 0.005 0.000 2.480 339 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 339 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 339 G C 1.584 176.494 174.900 0.017 0.000 1.200 339 G CA 1.599 46.702 45.100 0.004 0.000 0.782 339 G HN 0.408 nan 8.290 nan 0.000 0.554 340 I N -0.696 119.885 120.570 0.019 0.000 2.493 340 I HA 0.011 4.181 4.170 -0.000 0.000 0.254 340 I C 2.513 178.646 176.117 0.027 0.000 1.160 340 I CA 1.768 63.082 61.300 0.023 0.000 1.445 340 I CB -0.612 37.396 38.000 0.015 0.000 1.086 340 I HN 0.015 nan 8.210 nan 0.000 0.433 341 S N 0.822 116.533 115.700 0.017 0.000 2.359 341 S HA -0.261 4.209 4.470 -0.000 0.000 0.224 341 S C 1.957 176.569 174.600 0.020 0.000 1.035 341 S CA 1.971 60.179 58.200 0.013 0.000 1.018 341 S CB -0.483 62.719 63.200 0.003 0.000 0.876 341 S HN 0.692 nan 8.310 nan 0.000 0.448 342 E N 1.199 121.412 120.200 0.022 0.000 2.072 342 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 342 E C 2.014 178.650 176.600 0.060 0.000 0.982 342 E CA 1.604 58.018 56.400 0.023 0.000 0.803 342 E CB -0.683 29.025 29.700 0.013 0.000 0.755 342 E HN 0.374 nan 8.360 nan 0.000 0.453 343 T N 0.324 114.939 114.554 0.101 0.000 2.788 343 T HA -0.105 4.244 4.350 -0.000 0.000 0.268 343 T C 1.749 176.577 174.700 0.214 0.000 1.044 343 T CA 1.294 63.523 62.100 0.215 0.000 1.139 343 T CB -0.452 68.507 68.868 0.150 0.000 0.867 343 T HN 0.355 nan 8.240 nan 0.000 0.454 344 A N 1.413 124.299 122.820 0.109 0.000 1.858 344 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 344 A C 2.237 179.864 177.584 0.072 0.000 1.190 344 A CA 1.917 54.006 52.037 0.086 0.000 0.617 344 A CB -0.710 18.317 19.000 0.045 0.000 0.827 344 A HN 0.403 nan 8.150 nan 0.000 0.443 345 M N 0.355 119.979 119.600 0.039 0.000 2.084 345 M HA -0.108 4.371 4.480 -0.000 0.000 0.259 345 M C 1.922 178.204 176.300 -0.029 0.000 1.072 345 M CA 1.793 57.095 55.300 0.004 0.000 1.107 345 M CB -0.746 31.847 32.600 -0.011 0.000 1.299 345 M HN 0.414 nan 8.290 nan 0.000 0.413 346 I N -1.053 119.477 120.570 -0.066 0.000 2.151 346 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 346 I C 1.419 177.294 176.117 -0.404 0.000 1.080 346 I CA 1.574 62.714 61.300 -0.267 0.000 1.339 346 I CB -0.512 37.242 38.000 -0.411 0.000 1.039 346 I HN 0.219 nan 8.210 nan 0.000 0.409 347 F N -0.436 119.510 119.950 -0.008 0.000 2.695 347 F HA 0.348 4.875 4.527 -0.000 0.000 0.303 347 F C 1.516 177.312 175.800 -0.005 0.000 1.091 347 F CA 0.380 58.374 58.000 -0.009 0.000 1.300 347 F CB 0.274 39.266 39.000 -0.014 0.000 1.071 347 F HN -0.046 nan 8.300 nan 0.000 0.578 348 A N -0.974 121.923 122.820 0.128 0.000 2.664 348 A HA 0.513 4.833 4.320 -0.000 0.000 0.222 348 A C 1.656 179.269 177.584 0.048 0.000 1.320 348 A CA 0.394 52.486 52.037 0.092 0.000 1.029 348 A CB -0.463 18.593 19.000 0.093 0.000 1.318 348 A HN 0.395 nan 8.150 nan 0.000 0.589 349 G N -0.288 108.525 108.800 0.022 0.000 2.203 349 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.263 349 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.263 349 G C 0.191 175.093 174.900 0.004 0.000 1.012 349 G CA 0.503 45.605 45.100 0.003 0.000 0.749 349 G HN 1.019 nan 8.290 nan 0.000 0.512 350 V N 0.789 120.709 119.914 0.010 0.000 2.481 350 V HA 0.482 4.602 4.120 -0.000 0.000 0.286 350 V C 0.071 176.165 176.094 -0.000 0.000 1.042 350 V CA -0.346 61.953 62.300 -0.001 0.000 0.928 350 V CB 1.891 33.714 31.823 -0.001 0.000 0.986 350 V HN 0.365 nan 8.190 nan 0.000 0.462 351 D N 3.954 124.350 120.400 -0.006 0.000 2.473 351 D HA 0.129 4.769 4.640 -0.000 0.000 0.226 351 D C 1.006 177.311 176.300 0.008 0.000 1.089 351 D CA -0.444 53.554 54.000 -0.003 0.000 0.883 351 D CB 1.626 42.420 40.800 -0.009 0.000 1.029 351 D HN 0.364 nan 8.370 nan 0.000 0.517 352 V N 2.373 122.294 119.914 0.013 0.000 2.944 352 V HA -0.192 3.928 4.120 -0.000 0.000 0.265 352 V C 1.675 177.797 176.094 0.045 0.000 1.125 352 V CA 2.216 64.531 62.300 0.025 0.000 1.145 352 V CB -1.646 30.181 31.823 0.007 0.000 0.725 352 V HN 0.633 nan 8.190 nan 0.000 0.510 353 T N -3.495 111.078 114.554 0.032 0.000 3.081 353 T HA 0.142 4.492 4.350 -0.000 0.000 0.255 353 T C 1.546 176.278 174.700 0.054 0.000 1.113 353 T CA 0.986 63.111 62.100 0.041 0.000 1.082 353 T CB -0.015 68.861 68.868 0.013 0.000 0.939 353 T HN 0.600 nan 8.240 nan 0.000 0.506 354 K N -0.354 120.060 120.400 0.023 0.000 2.424 354 K HA 0.297 4.617 4.320 -0.000 0.000 0.200 354 K C 0.255 176.776 176.600 -0.131 0.000 1.279 354 K CA 0.125 56.373 56.287 -0.063 0.000 0.918 354 K CB 0.738 33.203 32.500 -0.058 0.000 1.287 354 K HN 0.152 nan 8.250 nan 0.000 0.502 355 E N 0.875 121.068 120.200 -0.012 0.000 2.336 355 E HA 0.324 4.674 4.350 -0.000 0.000 0.267 355 E C -2.729 173.912 176.600 0.068 0.000 0.906 355 E CA -2.307 54.089 56.400 -0.006 0.000 0.781 355 E CB 1.865 31.517 29.700 -0.079 0.000 1.261 355 E HN -0.074 nan 8.360 nan 0.000 0.436 356 P HA 0.278 nan 4.420 nan 0.000 0.274 356 P C -0.183 177.004 177.300 -0.190 0.000 1.231 356 P CA -0.182 62.854 63.100 -0.105 0.000 0.790 356 P CB 0.835 32.396 31.700 -0.232 0.000 0.951 357 I N 3.460 123.998 120.570 -0.054 0.000 2.353 357 I HA 0.254 4.424 4.170 -0.000 0.000 0.293 357 I C -1.910 174.258 176.117 0.085 0.000 0.992 357 I CA -2.727 58.571 61.300 -0.004 0.000 1.268 357 I CB 1.503 39.523 38.000 0.033 0.000 1.387 357 I HN 0.137 nan 8.210 nan 0.000 0.478 358 P HA 0.179 nan 4.420 nan 0.000 0.282 358 P C -0.787 176.574 177.300 0.102 0.000 1.274 358 P CA -0.066 63.123 63.100 0.148 0.000 0.770 358 P CB 1.271 32.902 31.700 -0.115 0.000 0.867 359 V N 2.066 122.077 119.914 0.162 0.000 3.141 359 V HA 0.864 4.983 4.120 -0.000 0.000 0.312 359 V C -0.787 175.418 176.094 0.185 0.000 1.157 359 V CA -1.266 61.128 62.300 0.157 0.000 1.041 359 V CB 2.067 33.975 31.823 0.143 0.000 1.071 359 V HN 0.497 nan 8.190 nan 0.000 0.441 360 L N 0.305 121.633 121.223 0.174 0.000 2.591 360 L HA 0.806 5.145 4.340 -0.000 0.000 0.257 360 L C -3.197 173.761 176.870 0.147 0.000 0.935 360 L CA -1.312 53.630 54.840 0.170 0.000 0.873 360 L CB 2.201 44.404 42.059 0.240 0.000 1.397 360 L HN 0.510 nan 8.230 nan 0.000 0.414 361 P HA 0.243 nan 4.420 nan 0.000 0.262 361 P C -1.208 176.224 177.300 0.219 0.000 1.182 361 P CA 0.461 63.648 63.100 0.145 0.000 0.761 361 P CB 0.450 32.187 31.700 0.063 0.000 0.795 362 T N 2.306 116.993 114.554 0.222 0.000 2.921 362 T HA 0.232 4.582 4.350 -0.000 0.000 0.297 362 T C -0.280 174.435 174.700 0.025 0.000 1.013 362 T CA -0.602 61.591 62.100 0.154 0.000 0.990 362 T CB 0.989 69.896 68.868 0.064 0.000 1.023 362 T HN -0.041 nan 8.240 nan 0.000 0.447 363 V N 3.428 123.208 119.914 -0.223 0.000 2.625 363 V HA 0.018 4.138 4.120 -0.000 0.000 0.305 363 V C 1.006 176.970 176.094 -0.217 0.000 1.055 363 V CA 1.105 63.032 62.300 -0.621 0.000 1.209 363 V CB 0.167 31.499 31.823 -0.817 0.000 0.877 363 V HN 1.058 nan 8.190 nan 0.000 0.489 364 H N 3.991 122.885 119.070 -0.292 0.000 2.312 364 H HA 0.283 4.838 4.556 -0.000 0.000 0.215 364 H C -0.293 175.010 175.328 -0.042 0.000 0.870 364 H CA 0.203 56.191 56.048 -0.101 0.000 0.982 364 H CB 0.563 30.355 29.762 0.050 0.000 1.330 364 H HN 0.572 nan 8.280 nan 0.000 0.399 365 Y N 0.671 120.845 120.300 -0.211 0.000 2.581 365 Y HA 0.496 5.046 4.550 -0.000 0.000 0.345 365 Y C -1.554 174.188 175.900 -0.263 0.000 1.036 365 Y CA -1.342 56.589 58.100 -0.281 0.000 1.042 365 Y CB 1.574 39.924 38.460 -0.183 0.000 1.289 365 Y HN 0.062 nan 8.280 nan 0.000 0.471 366 N N 4.691 122.598 118.700 -1.322 0.000 2.446 366 N HA 0.195 4.935 4.740 -0.000 0.000 0.265 366 N C -0.063 174.959 175.510 -0.813 0.000 0.975 366 N CA -0.313 52.208 53.050 -0.882 0.000 0.928 366 N CB 1.854 39.840 38.487 -0.836 0.000 1.160 366 N HN 0.800 nan 8.380 nan 0.000 0.495 367 M N 0.665 120.165 119.600 -0.167 0.000 2.200 367 M HA 0.059 4.538 4.480 -0.000 0.000 0.265 367 M C 1.535 177.884 176.300 0.082 0.000 1.066 367 M CA 0.754 56.145 55.300 0.151 0.000 1.127 367 M CB -0.312 32.447 32.600 0.265 0.000 1.379 367 M HN 0.504 nan 8.290 nan 0.000 0.420 368 G N -0.785 108.065 108.800 0.084 0.000 2.606 368 G HA2 0.492 4.452 3.960 -0.000 0.000 0.252 368 G HA3 0.492 4.452 3.960 -0.000 0.000 0.252 368 G C 0.079 175.003 174.900 0.041 0.000 1.206 368 G CA -0.003 45.158 45.100 0.102 0.000 0.861 368 G HN 0.529 nan 8.290 nan 0.000 0.561 369 G N -1.062 107.752 108.800 0.022 0.000 2.435 369 G HA2 0.386 4.346 3.960 -0.000 0.000 0.296 369 G HA3 0.386 4.346 3.960 -0.000 0.000 0.296 369 G C -1.005 173.865 174.900 -0.050 0.000 1.240 369 G CA -0.993 44.107 45.100 -0.000 0.000 0.872 369 G HN 0.716 nan 8.290 nan 0.000 0.480 370 I N 3.182 123.711 120.570 -0.068 0.000 2.452 370 I HA 0.249 4.419 4.170 -0.000 0.000 0.287 370 I C -1.784 174.259 176.117 -0.123 0.000 1.079 370 I CA -1.476 59.764 61.300 -0.099 0.000 1.387 370 I CB 1.382 39.327 38.000 -0.091 0.000 1.404 370 I HN 0.131 nan 8.210 nan 0.000 0.522 371 P HA 0.084 nan 4.420 nan 0.000 0.271 371 P C -0.389 176.811 177.300 -0.166 0.000 1.226 371 P CA -0.009 62.988 63.100 -0.171 0.000 0.765 371 P CB 0.852 32.446 31.700 -0.176 0.000 0.835 372 T N 0.317 114.759 114.554 -0.187 0.000 2.858 372 T HA 0.540 4.890 4.350 -0.000 0.000 0.285 372 T C 0.145 174.734 174.700 -0.186 0.000 1.052 372 T CA -0.775 61.210 62.100 -0.191 0.000 1.009 372 T CB 0.995 69.744 68.868 -0.199 0.000 1.241 372 T HN 0.408 nan 8.240 nan 0.000 0.542 373 N N -0.470 118.113 118.700 -0.194 0.000 2.538 373 N HA 0.203 4.943 4.740 -0.000 0.000 0.292 373 N C 0.617 176.009 175.510 -0.197 0.000 1.262 373 N CA -0.952 52.000 53.050 -0.164 0.000 0.976 373 N CB -0.297 38.073 38.487 -0.194 0.000 1.161 373 N HN 0.894 nan 8.380 nan 0.000 0.598 374 Y N -2.176 118.068 120.300 -0.094 0.000 2.578 374 Y HA 0.361 4.911 4.550 -0.000 0.000 0.297 374 Y C 0.809 176.667 175.900 -0.070 0.000 1.176 374 Y CA 0.412 58.480 58.100 -0.054 0.000 1.315 374 Y CB -0.093 38.376 38.460 0.015 0.000 1.031 374 Y HN 0.382 nan 8.280 nan 0.000 0.524 375 K N 0.501 120.472 120.400 -0.715 0.000 2.404 375 K HA 0.279 4.599 4.320 -0.000 0.000 0.194 375 K C 1.304 177.826 176.600 -0.131 0.000 1.023 375 K CA 0.511 56.494 56.287 -0.508 0.000 1.094 375 K CB 0.170 32.360 32.500 -0.517 0.000 0.841 375 K HN 0.594 nan 8.250 nan 0.000 0.523 376 G N 1.790 110.539 108.800 -0.086 0.000 2.175 376 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 376 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 376 G C -0.230 174.651 174.900 -0.030 0.000 0.982 376 G CA -0.203 44.922 45.100 0.041 0.000 0.641 376 G HN 0.350 nan 8.290 nan 0.000 0.527 377 Q N 0.336 119.977 119.800 -0.264 0.000 2.286 377 Q HA 0.532 4.872 4.340 -0.000 0.000 0.257 377 Q C 0.450 176.236 176.000 -0.356 0.000 0.941 377 Q CA -0.604 54.864 55.803 -0.558 0.000 0.912 377 Q CB 2.292 30.689 28.738 -0.568 0.000 1.192 377 Q HN 0.172 nan 8.270 nan 0.000 0.410 378 V N 4.851 124.557 119.914 -0.346 0.000 2.585 378 V HA 0.105 4.225 4.120 -0.000 0.000 0.296 378 V C 0.302 176.283 176.094 -0.188 0.000 1.035 378 V CA 0.122 62.291 62.300 -0.219 0.000 1.084 378 V CB -0.189 31.529 31.823 -0.175 0.000 0.953 378 V HN 0.593 nan 8.190 nan 0.000 0.483 379 I N 1.880 122.365 120.570 -0.140 0.000 2.603 379 I HA 0.768 4.938 4.170 -0.000 0.000 0.300 379 I C -0.160 175.928 176.117 -0.047 0.000 1.017 379 I CA -0.284 60.961 61.300 -0.091 0.000 1.098 379 I CB 2.203 40.161 38.000 -0.069 0.000 1.279 379 I HN 0.492 nan 8.210 nan 0.000 0.437 380 T N 1.721 116.271 114.554 -0.008 0.000 2.950 380 T HA 0.448 4.798 4.350 -0.000 0.000 0.288 380 T C -1.269 173.501 174.700 0.117 0.000 1.035 380 T CA -0.327 61.797 62.100 0.041 0.000 1.028 380 T CB 0.810 69.696 68.868 0.031 0.000 1.109 380 T HN 0.779 nan 8.240 nan 0.000 0.514 381 H N 1.535 120.630 119.070 0.043 0.000 2.991 381 H HA 0.614 5.170 4.556 -0.000 0.000 0.304 381 H C -1.365 173.999 175.328 0.060 0.000 1.040 381 H CA -0.329 55.748 56.048 0.048 0.000 1.410 381 H CB 0.370 30.171 29.762 0.065 0.000 1.529 381 H HN 0.322 nan 8.280 nan 0.000 0.509 382 V N 5.208 124.977 119.914 -0.241 0.000 2.459 382 V HA 0.165 4.285 4.120 -0.000 0.000 0.295 382 V C 0.493 176.431 176.094 -0.260 0.000 1.029 382 V CA -0.868 61.323 62.300 -0.182 0.000 0.874 382 V CB 1.306 33.071 31.823 -0.097 0.000 0.985 382 V HN 1.112 nan 8.190 nan 0.000 0.438 383 N N 3.711 122.303 118.700 -0.180 0.000 2.716 383 N HA -0.241 4.499 4.740 -0.000 0.000 0.250 383 N C 1.077 176.467 175.510 -0.200 0.000 1.033 383 N CA 0.598 53.562 53.050 -0.144 0.000 0.727 383 N CB -0.722 37.704 38.487 -0.102 0.000 0.950 383 N HN 1.398 nan 8.380 nan 0.000 0.541 384 G N -0.479 108.124 108.800 -0.328 0.000 2.184 384 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.264 384 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.264 384 G C -0.193 174.528 174.900 -0.297 0.000 0.975 384 G CA 0.856 45.799 45.100 -0.262 0.000 0.642 384 G HN 0.785 nan 8.290 nan 0.000 0.536 385 E N 0.357 120.275 120.200 -0.471 0.000 2.238 385 E HA 0.610 4.960 4.350 -0.000 0.000 0.267 385 E C -1.469 175.080 176.600 -0.086 0.000 0.887 385 E CA -1.233 55.067 56.400 -0.166 0.000 0.769 385 E CB 1.664 31.310 29.700 -0.090 0.000 1.187 385 E HN -0.007 nan 8.360 nan 0.000 0.416 386 D N 2.723 123.208 120.400 0.143 0.000 2.343 386 D HA 0.179 4.819 4.640 -0.000 0.000 0.255 386 D C -0.640 175.683 176.300 0.038 0.000 1.187 386 D CA 0.007 54.105 54.000 0.165 0.000 0.875 386 D CB 0.960 41.836 40.800 0.126 0.000 1.136 386 D HN 0.290 nan 8.370 nan 0.000 0.469 387 K N 0.967 121.374 120.400 0.011 0.000 2.345 387 K HA 0.370 4.690 4.320 -0.000 0.000 0.255 387 K C -0.289 176.282 176.600 -0.048 0.000 0.934 387 K CA -1.055 55.216 56.287 -0.026 0.000 0.801 387 K CB 2.583 35.064 32.500 -0.033 0.000 1.137 387 K HN 0.254 nan 8.250 nan 0.000 0.424 388 V N 0.553 120.421 119.914 -0.077 0.000 2.614 388 V HA 0.211 4.331 4.120 -0.000 0.000 0.291 388 V C 0.077 176.099 176.094 -0.121 0.000 1.049 388 V CA -0.623 61.600 62.300 -0.127 0.000 1.038 388 V CB 1.153 32.868 31.823 -0.180 0.000 0.980 388 V HN 0.421 nan 8.190 nan 0.000 0.481 389 V N 7.557 127.389 119.914 -0.137 0.000 2.415 389 V HA 0.249 4.369 4.120 -0.000 0.000 0.267 389 V C -1.926 174.087 176.094 -0.135 0.000 1.042 389 V CA -1.241 60.993 62.300 -0.111 0.000 1.000 389 V CB 0.379 32.141 31.823 -0.101 0.000 1.015 389 V HN 0.927 nan 8.190 nan 0.000 0.478 390 P HA 0.204 nan 4.420 nan 0.000 0.263 390 P C 0.960 178.236 177.300 -0.040 0.000 1.195 390 P CA 1.095 64.154 63.100 -0.069 0.000 0.762 390 P CB 0.494 32.174 31.700 -0.033 0.000 0.799 391 G N 1.543 110.339 108.800 -0.008 0.000 2.143 391 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.249 391 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.249 391 G C -0.470 174.478 174.900 0.081 0.000 0.981 391 G CA -0.203 44.943 45.100 0.077 0.000 0.665 391 G HN 0.579 nan 8.290 nan 0.000 0.528 392 L N 0.067 121.268 121.223 -0.038 0.000 2.385 392 L HA 0.896 5.236 4.340 -0.000 0.000 0.273 392 L C -0.720 176.047 176.870 -0.171 0.000 0.990 392 L CA -1.821 52.998 54.840 -0.033 0.000 0.821 392 L CB 1.401 43.409 42.059 -0.085 0.000 1.279 392 L HN 0.160 nan 8.230 nan 0.000 0.412 393 Y N 2.651 122.890 120.300 -0.101 0.000 2.644 393 Y HA 0.890 5.440 4.550 -0.000 0.000 0.338 393 Y C -0.212 175.625 175.900 -0.104 0.000 1.119 393 Y CA -0.798 57.237 58.100 -0.109 0.000 1.060 393 Y CB 2.365 40.753 38.460 -0.120 0.000 1.294 393 Y HN 0.718 nan 8.280 nan 0.000 0.472 394 A N 0.494 123.355 122.820 0.068 0.000 2.574 394 A HA 0.862 5.182 4.320 -0.000 0.000 0.297 394 A C -1.321 176.270 177.584 0.011 0.000 1.062 394 A CA -0.593 51.447 52.037 0.005 0.000 0.686 394 A CB 0.608 19.580 19.000 -0.046 0.000 1.285 394 A HN 1.104 nan 8.150 nan 0.000 0.403 395 C N -0.722 118.587 119.300 0.015 0.000 3.332 395 C HA 1.032 5.492 4.460 -0.000 0.000 0.329 395 C C 0.725 175.750 174.990 0.058 0.000 1.434 395 C CA -0.197 58.855 59.018 0.056 0.000 1.314 395 C CB 0.897 28.700 27.740 0.104 0.000 1.664 395 C HN 3.046 nan 8.230 nan 0.000 0.457 396 G N 0.242 109.110 108.800 0.115 0.000 2.725 396 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.220 396 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.220 396 G C 0.357 175.331 174.900 0.124 0.000 1.357 396 G CA 0.746 45.920 45.100 0.123 0.000 0.866 396 G HN 1.476 nan 8.290 nan 0.000 0.548 397 E N -0.065 120.213 120.200 0.129 0.000 2.267 397 E HA 0.026 4.376 4.350 -0.000 0.000 0.197 397 E C 2.621 179.191 176.600 -0.050 0.000 0.998 397 E CA 1.827 58.262 56.400 0.059 0.000 0.830 397 E CB -0.407 29.282 29.700 -0.018 0.000 0.751 397 E HN 1.127 nan 8.360 nan 0.000 0.491 398 A N 0.581 123.390 122.820 -0.017 0.000 2.121 398 A HA 0.189 4.509 4.320 -0.000 0.000 0.218 398 A C 1.226 178.794 177.584 -0.028 0.000 1.154 398 A CA 0.952 52.975 52.037 -0.024 0.000 0.679 398 A CB -0.280 18.706 19.000 -0.023 0.000 0.795 398 A HN 0.376 nan 8.150 nan 0.000 0.458 399 A N -1.192 121.614 122.820 -0.024 0.000 2.298 399 A HA 0.699 5.019 4.320 -0.000 0.000 0.302 399 A C 0.278 177.827 177.584 -0.058 0.000 1.177 399 A CA 0.083 52.086 52.037 -0.057 0.000 0.912 399 A CB 0.770 19.720 19.000 -0.083 0.000 1.331 399 A HN 0.579 nan 8.150 nan 0.000 0.504 400 S N -1.523 114.108 115.700 -0.115 0.000 2.381 400 S HA 0.461 4.931 4.470 -0.000 0.000 0.193 400 S C 0.428 174.893 174.600 -0.226 0.000 1.287 400 S CA 0.177 58.297 58.200 -0.133 0.000 1.199 400 S CB 0.309 63.432 63.200 -0.129 0.000 1.214 400 S HN 1.472 nan 8.310 nan 0.000 0.444 401 A N 2.436 125.078 122.820 -0.297 0.000 2.015 401 A HA 0.200 4.520 4.320 -0.000 0.000 0.219 401 A C 1.328 178.763 177.584 -0.248 0.000 1.163 401 A CA 1.099 52.904 52.037 -0.386 0.000 0.646 401 A CB -0.237 18.310 19.000 -0.754 0.000 0.806 401 A HN 1.032 nan 8.150 nan 0.000 0.448 402 S N -0.168 115.409 115.700 -0.204 0.000 2.442 402 S HA 0.380 4.850 4.470 -0.000 0.000 0.297 402 S C 0.665 175.155 174.600 -0.184 0.000 1.131 402 S CA -0.100 57.983 58.200 -0.195 0.000 1.092 402 S CB 1.611 64.736 63.200 -0.125 0.000 0.998 402 S HN 0.914 nan 8.310 nan 0.000 0.478 403 V N 1.950 121.662 119.914 -0.336 0.000 3.608 403 V HA 0.316 4.436 4.120 -0.000 0.000 0.269 403 V C 1.112 176.947 176.094 -0.431 0.000 1.245 403 V CA 0.453 62.539 62.300 -0.356 0.000 1.138 403 V CB -1.054 30.552 31.823 -0.362 0.000 0.841 403 V HN 0.957 nan 8.190 nan 0.000 0.451 404 H N 0.629 119.697 119.070 -0.003 0.000 2.885 404 H HA 0.422 4.977 4.556 -0.000 0.000 0.260 404 H C 1.922 177.229 175.328 -0.034 0.000 0.985 404 H CA 0.379 56.427 56.048 -0.000 0.000 1.210 404 H CB 0.583 30.395 29.762 0.084 0.000 1.466 404 H HN 0.513 nan 8.280 nan 0.000 0.493 405 G N 1.677 110.493 108.800 0.027 0.000 2.685 405 G HA2 -0.436 3.523 3.960 -0.000 0.000 0.329 405 G HA3 -0.436 3.523 3.960 -0.000 0.000 0.329 405 G C 1.363 176.139 174.900 -0.206 0.000 1.271 405 G CA 1.728 46.784 45.100 -0.074 0.000 1.003 405 G HN 0.574 nan 8.290 nan 0.000 0.549 406 A N 0.384 123.029 122.820 -0.292 0.000 2.251 406 A HA 0.435 4.755 4.320 -0.000 0.000 0.209 406 A C 0.940 178.588 177.584 0.107 0.000 1.187 406 A CA 1.572 53.443 52.037 -0.278 0.000 0.823 406 A CB -0.221 18.659 19.000 -0.201 0.000 0.846 406 A HN 1.432 nan 8.150 nan 0.000 0.486 407 N N -0.357 118.390 118.700 0.078 0.000 2.666 407 N HA 0.078 4.817 4.740 -0.000 0.000 0.260 407 N C -1.472 174.088 175.510 0.083 0.000 1.077 407 N CA -0.446 52.672 53.050 0.113 0.000 1.026 407 N CB 1.143 39.688 38.487 0.097 0.000 1.653 407 N HN 0.290 nan 8.380 nan 0.000 0.533 408 R N 4.267 124.807 120.500 0.066 0.000 2.349 408 R HA 0.432 4.772 4.340 -0.000 0.000 0.299 408 R C -0.261 176.015 176.300 -0.039 0.000 1.027 408 R CA -0.454 55.629 56.100 -0.027 0.000 0.958 408 R CB 0.770 30.839 30.300 -0.384 0.000 1.047 408 R HN 0.496 nan 8.270 nan 0.000 0.468 409 L N 3.988 125.217 121.223 0.011 0.000 2.367 409 L HA 0.253 4.592 4.340 -0.000 0.000 0.275 409 L C 1.104 177.986 176.870 0.020 0.000 1.129 409 L CA -0.342 54.514 54.840 0.027 0.000 0.839 409 L CB 1.076 43.180 42.059 0.074 0.000 1.133 409 L HN 0.876 nan 8.230 nan 0.000 0.453 410 G N 2.347 111.212 108.800 0.108 0.000 2.391 410 G HA2 0.251 4.211 3.960 -0.000 0.000 0.234 410 G HA3 0.251 4.211 3.960 -0.000 0.000 0.234 410 G C 0.848 175.681 174.900 -0.112 0.000 1.284 410 G CA 0.415 45.628 45.100 0.190 0.000 0.873 410 G HN 1.152 nan 8.290 nan 0.000 0.549 411 A N 1.533 124.203 122.820 -0.251 0.000 3.250 411 A HA -0.182 4.138 4.320 -0.000 0.000 0.256 411 A C 1.649 179.155 177.584 -0.131 0.000 1.231 411 A CA 1.315 53.138 52.037 -0.358 0.000 1.193 411 A CB -1.768 16.782 19.000 -0.749 0.000 1.149 411 A HN 0.655 nan 8.150 nan 0.000 0.930 412 N N -0.574 118.091 118.700 -0.058 0.000 2.373 412 N HA 0.125 4.864 4.740 -0.000 0.000 0.181 412 N C 1.653 177.242 175.510 0.132 0.000 1.082 412 N CA 1.245 54.354 53.050 0.099 0.000 0.885 412 N CB 0.176 38.787 38.487 0.207 0.000 0.977 412 N HN 0.661 nan 8.380 nan 0.000 0.462 413 S N 0.115 115.763 115.700 -0.087 0.000 2.348 413 S HA 0.134 4.604 4.470 -0.000 0.000 0.219 413 S C 1.817 176.456 174.600 0.064 0.000 1.033 413 S CA 0.395 58.558 58.200 -0.061 0.000 0.974 413 S CB -0.219 62.804 63.200 -0.294 0.000 0.868 413 S HN 0.207 nan 8.310 nan 0.000 0.459 414 L N 1.150 122.383 121.223 0.017 0.000 2.129 414 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 414 L C 2.488 179.399 176.870 0.067 0.000 1.087 414 L CA 0.898 55.763 54.840 0.040 0.000 0.757 414 L CB -0.542 41.526 42.059 0.015 0.000 0.896 414 L HN 0.382 nan 8.230 nan 0.000 0.434 415 L N 0.294 121.564 121.223 0.077 0.000 2.005 415 L HA -0.240 4.100 4.340 -0.000 0.000 0.207 415 L C 2.288 179.223 176.870 0.110 0.000 1.072 415 L CA 2.066 56.957 54.840 0.085 0.000 0.744 415 L CB -0.831 41.296 42.059 0.113 0.000 0.895 415 L HN 0.253 nan 8.230 nan 0.000 0.433 416 D N -0.325 120.201 120.400 0.210 0.000 2.127 416 D HA -0.267 4.373 4.640 -0.000 0.000 0.190 416 D C 2.224 178.712 176.300 0.312 0.000 1.000 416 D CA 2.262 56.482 54.000 0.367 0.000 0.839 416 D CB -0.348 40.725 40.800 0.454 0.000 0.955 416 D HN 0.435 nan 8.370 nan 0.000 0.446 417 L N 0.247 121.596 121.223 0.211 0.000 1.978 417 L HA -0.240 4.100 4.340 -0.000 0.000 0.218 417 L C 2.839 179.765 176.870 0.093 0.000 1.075 417 L CA 2.204 57.132 54.840 0.148 0.000 0.767 417 L CB -1.065 41.056 42.059 0.102 0.000 0.890 417 L HN 0.158 nan 8.230 nan 0.000 0.434 418 V N -4.159 115.788 119.914 0.055 0.000 2.591 418 V HA -0.096 4.024 4.120 -0.000 0.000 0.249 418 V C 2.279 178.342 176.094 -0.052 0.000 1.053 418 V CA 0.994 63.297 62.300 0.005 0.000 1.068 418 V CB -0.403 31.430 31.823 0.016 0.000 0.689 418 V HN 0.175 nan 8.190 nan 0.000 0.462 419 V N 0.060 119.918 119.914 -0.094 0.000 2.255 419 V HA -0.119 4.001 4.120 -0.000 0.000 0.243 419 V C 2.414 178.333 176.094 -0.290 0.000 1.038 419 V CA 2.413 64.560 62.300 -0.254 0.000 1.008 419 V CB -0.806 30.742 31.823 -0.458 0.000 0.645 419 V HN 0.491 nan 8.190 nan 0.000 0.449 420 F N 1.209 121.212 119.950 0.089 0.000 2.325 420 F HA 0.110 4.637 4.527 -0.000 0.000 0.299 420 F C 2.339 178.127 175.800 -0.021 0.000 1.090 420 F CA 1.038 59.063 58.000 0.042 0.000 1.392 420 F CB -1.236 37.784 39.000 0.034 0.000 1.053 420 F HN 0.181 nan 8.300 nan 0.000 0.521 421 G N -0.015 108.828 108.800 0.073 0.000 2.418 421 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.217 421 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.217 421 G C 1.772 176.604 174.900 -0.113 0.000 1.158 421 G CA 0.842 45.923 45.100 -0.031 0.000 0.771 421 G HN 0.296 nan 8.290 nan 0.000 0.545 422 R N 0.485 120.918 120.500 -0.111 0.000 2.073 422 R HA 0.203 4.543 4.340 -0.000 0.000 0.229 422 R C 2.833 179.071 176.300 -0.102 0.000 1.120 422 R CA 1.431 57.449 56.100 -0.136 0.000 0.967 422 R CB -0.472 29.764 30.300 -0.107 0.000 0.862 422 R HN 0.218 nan 8.270 nan 0.000 0.436 423 A N 0.893 123.680 122.820 -0.054 0.000 1.859 423 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 423 A C 2.486 180.015 177.584 -0.092 0.000 1.198 423 A CA 1.866 53.871 52.037 -0.054 0.000 0.629 423 A CB -1.352 17.601 19.000 -0.078 0.000 0.830 423 A HN 0.628 nan 8.150 nan 0.000 0.446 424 C N -1.213 118.039 119.300 -0.081 0.000 2.391 424 C HA -0.099 4.361 4.460 -0.000 0.000 0.276 424 C C 3.300 178.051 174.990 -0.398 0.000 1.217 424 C CA 1.084 59.978 59.018 -0.206 0.000 1.766 424 C CB -1.561 26.061 27.740 -0.197 0.000 2.046 424 C HN 0.709 nan 8.230 nan 0.000 0.475 425 A N 0.042 122.674 122.820 -0.314 0.000 1.854 425 A HA -0.041 4.279 4.320 -0.000 0.000 0.214 425 A C 2.095 179.512 177.584 -0.278 0.000 1.192 425 A CA 1.349 53.173 52.037 -0.354 0.000 0.611 425 A CB -0.657 18.164 19.000 -0.298 0.000 0.832 425 A HN 0.571 nan 8.150 nan 0.000 0.442 426 L N -0.511 120.611 121.223 -0.168 0.000 2.043 426 L HA -0.223 4.116 4.340 -0.000 0.000 0.212 426 L C 2.824 179.637 176.870 -0.096 0.000 1.075 426 L CA 1.911 56.695 54.840 -0.094 0.000 0.752 426 L CB -1.078 40.956 42.059 -0.041 0.000 0.891 426 L HN 0.367 nan 8.230 nan 0.000 0.432 427 T N 0.213 114.696 114.554 -0.118 0.000 2.674 427 T HA -0.155 4.194 4.350 -0.000 0.000 0.265 427 T C 1.911 176.557 174.700 -0.091 0.000 1.039 427 T CA 1.543 63.603 62.100 -0.067 0.000 1.150 427 T CB -0.263 68.615 68.868 0.016 0.000 0.864 427 T HN 0.193 nan 8.240 nan 0.000 0.427 428 I N 1.491 121.886 120.570 -0.293 0.000 2.194 428 I HA -0.254 3.916 4.170 -0.000 0.000 0.246 428 I C 2.912 178.920 176.117 -0.181 0.000 1.093 428 I CA 1.261 62.357 61.300 -0.340 0.000 1.355 428 I CB -0.583 36.986 38.000 -0.717 0.000 1.046 428 I HN 0.205 nan 8.210 nan 0.000 0.413 429 A N 1.471 124.185 122.820 -0.178 0.000 1.865 429 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 429 A C 2.264 179.932 177.584 0.141 0.000 1.191 429 A CA 2.142 54.261 52.037 0.137 0.000 0.623 429 A CB -0.842 18.227 19.000 0.116 0.000 0.826 429 A HN 0.666 nan 8.150 nan 0.000 0.444 430 E N -1.372 118.862 120.200 0.057 0.000 2.268 430 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 430 E C 1.600 178.236 176.600 0.060 0.000 0.995 430 E CA 1.492 57.925 56.400 0.054 0.000 0.836 430 E CB -0.549 29.169 29.700 0.030 0.000 0.763 430 E HN 0.446 nan 8.360 nan 0.000 0.491 431 T N 0.010 114.602 114.554 0.063 0.000 2.976 431 T HA 0.075 4.425 4.350 -0.000 0.000 0.257 431 T C 0.862 175.619 174.700 0.094 0.000 1.051 431 T CA 0.643 62.785 62.100 0.069 0.000 1.141 431 T CB 0.091 69.003 68.868 0.073 0.000 0.881 431 T HN 0.221 nan 8.240 nan 0.000 0.461 432 C N 0.615 120.005 119.300 0.151 0.000 2.967 432 C HA 0.836 5.296 4.460 -0.000 0.000 0.372 432 C C -0.233 174.886 174.990 0.215 0.000 1.455 432 C CA -1.126 58.008 59.018 0.193 0.000 1.638 432 C CB 1.805 29.694 27.740 0.247 0.000 2.096 432 C HN 0.171 nan 8.230 nan 0.000 0.466 433 K N 0.614 121.085 120.400 0.119 0.000 2.422 433 K HA 0.590 4.910 4.320 -0.000 0.000 0.251 433 K C -2.932 173.528 176.600 -0.233 0.000 0.933 433 K CA -1.829 54.418 56.287 -0.067 0.000 0.798 433 K CB 1.297 33.770 32.500 -0.045 0.000 1.238 433 K HN 0.213 nan 8.250 nan 0.000 0.428 434 P HA 0.133 nan 4.420 nan 0.000 0.269 434 P C 0.296 177.471 177.300 -0.208 0.000 1.209 434 P CA 0.738 63.494 63.100 -0.573 0.000 0.776 434 P CB 0.762 32.051 31.700 -0.686 0.000 0.876 435 G N 0.933 109.674 108.800 -0.098 0.000 2.304 435 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.252 435 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.252 435 G C 0.162 175.053 174.900 -0.015 0.000 1.014 435 G CA -0.137 44.936 45.100 -0.045 0.000 0.619 435 G HN 0.580 nan 8.290 nan 0.000 0.525 436 E N 2.650 122.845 120.200 -0.009 0.000 2.653 436 E HA 0.175 4.525 4.350 -0.000 0.000 0.264 436 E C -1.742 174.873 176.600 0.024 0.000 0.949 436 E CA -0.133 56.275 56.400 0.013 0.000 0.953 436 E CB 0.337 30.058 29.700 0.036 0.000 0.925 436 E HN 0.356 nan 8.360 nan 0.000 0.475 437 P HA -0.106 nan 4.420 nan 0.000 0.256 437 P C -0.147 177.170 177.300 0.029 0.000 1.173 437 P CA 0.253 63.363 63.100 0.017 0.000 0.768 437 P CB 0.410 32.117 31.700 0.011 0.000 0.758 438 V N 6.700 126.633 119.914 0.032 0.000 2.673 438 V HA 0.138 4.258 4.120 -0.000 0.000 0.303 438 V C -1.703 174.412 176.094 0.035 0.000 1.046 438 V CA -1.388 60.939 62.300 0.045 0.000 1.126 438 V CB 0.062 31.913 31.823 0.047 0.000 0.934 438 V HN 0.531 nan 8.190 nan 0.000 0.487 439 P HA 0.151 nan 4.420 nan 0.000 0.271 439 P C -0.182 177.134 177.300 0.027 0.000 1.216 439 P CA 0.053 63.172 63.100 0.031 0.000 0.771 439 P CB 1.149 32.870 31.700 0.034 0.000 0.864 440 S N 2.060 117.771 115.700 0.018 0.000 2.596 440 S HA 0.464 4.934 4.470 -0.000 0.000 0.260 440 S C 0.361 174.970 174.600 0.015 0.000 1.336 440 S CA -0.563 57.644 58.200 0.013 0.000 0.993 440 S CB -0.290 62.914 63.200 0.006 0.000 0.923 440 S HN 0.443 nan 8.310 nan 0.000 0.567 441 I N -0.128 120.448 120.570 0.011 0.000 2.656 441 I HA 0.499 4.669 4.170 -0.000 0.000 0.292 441 I C -0.589 175.532 176.117 0.006 0.000 1.144 441 I CA -1.319 59.989 61.300 0.012 0.000 1.038 441 I CB 2.006 40.017 38.000 0.018 0.000 1.244 441 I HN 0.616 nan 8.210 nan 0.000 0.420 442 K N 3.681 124.084 120.400 0.005 0.000 2.489 442 K HA 0.230 4.550 4.320 -0.000 0.000 0.278 442 K C -2.079 174.521 176.600 0.000 0.000 1.000 442 K CA -0.763 55.525 56.287 0.002 0.000 1.012 442 K CB 0.175 32.676 32.500 0.002 0.000 0.903 442 K HN 0.350 nan 8.250 nan 0.000 0.485 443 P HA -0.258 nan 4.420 nan 0.000 0.219 443 P C 0.141 177.439 177.300 -0.004 0.000 1.149 443 P CA 1.584 64.681 63.100 -0.005 0.000 0.835 443 P CB -0.042 31.655 31.700 -0.005 0.000 0.778 444 N N -2.143 116.557 118.700 -0.001 0.000 2.282 444 N HA 0.156 4.896 4.740 -0.000 0.000 0.240 444 N C -0.124 175.387 175.510 0.002 0.000 1.182 444 N CA -0.310 52.740 53.050 0.000 0.000 0.874 444 N CB -0.048 38.439 38.487 0.001 0.000 1.126 444 N HN -0.130 nan 8.380 nan 0.000 0.516 445 A N 0.100 122.923 122.820 0.004 0.000 2.524 445 A HA 0.509 4.829 4.320 -0.000 0.000 0.250 445 A C 1.499 179.089 177.584 0.010 0.000 1.078 445 A CA 0.670 52.712 52.037 0.008 0.000 0.761 445 A CB -0.607 18.400 19.000 0.012 0.000 1.012 445 A HN 0.832 nan 8.150 nan 0.000 0.500 446 G N 1.582 110.387 108.800 0.009 0.000 2.213 446 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.236 446 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.236 446 G C 0.985 175.882 174.900 -0.004 0.000 0.991 446 G CA 0.923 46.028 45.100 0.009 0.000 0.629 446 G HN 1.140 nan 8.290 nan 0.000 0.517 447 E N 0.510 120.706 120.200 -0.005 0.000 2.233 447 E HA -0.250 4.099 4.350 -0.000 0.000 0.199 447 E C 1.843 178.432 176.600 -0.018 0.000 1.004 447 E CA 1.880 58.273 56.400 -0.011 0.000 0.819 447 E CB -0.137 29.561 29.700 -0.003 0.000 0.738 447 E HN 0.476 nan 8.360 nan 0.000 0.478 448 E N 0.306 120.498 120.200 -0.012 0.000 2.285 448 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 448 E C 1.798 178.386 176.600 -0.021 0.000 0.997 448 E CA 1.083 57.475 56.400 -0.013 0.000 0.845 448 E CB -0.082 29.615 29.700 -0.005 0.000 0.782 448 E HN 0.243 nan 8.360 nan 0.000 0.491 449 S N -0.685 115.001 115.700 -0.023 0.000 2.371 449 S HA -0.085 4.385 4.470 -0.000 0.000 0.224 449 S C 2.013 176.570 174.600 -0.071 0.000 1.029 449 S CA 1.062 59.247 58.200 -0.025 0.000 0.978 449 S CB -0.213 62.984 63.200 -0.005 0.000 0.833 449 S HN 0.171 nan 8.310 nan 0.000 0.466 450 V N 2.511 122.360 119.914 -0.108 0.000 2.343 450 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 450 V C 2.703 178.685 176.094 -0.186 0.000 1.051 450 V CA 1.613 63.772 62.300 -0.235 0.000 1.036 450 V CB -1.494 30.191 31.823 -0.230 0.000 0.654 450 V HN 0.517 nan 8.190 nan 0.000 0.451 451 A N 1.003 123.772 122.820 -0.085 0.000 1.849 451 A HA -0.381 3.939 4.320 -0.000 0.000 0.217 451 A C 2.114 179.679 177.584 -0.031 0.000 1.202 451 A CA 2.774 54.790 52.037 -0.035 0.000 0.629 451 A CB -1.133 17.858 19.000 -0.014 0.000 0.834 451 A HN 0.617 nan 8.150 nan 0.000 0.447 452 N N -0.300 118.379 118.700 -0.034 0.000 2.094 452 N HA -0.177 4.563 4.740 -0.000 0.000 0.191 452 N C 1.657 177.143 175.510 -0.040 0.000 1.023 452 N CA 1.864 54.898 53.050 -0.027 0.000 0.857 452 N CB -0.397 38.078 38.487 -0.019 0.000 1.013 452 N HN 0.514 nan 8.380 nan 0.000 0.426 453 L N 0.204 121.381 121.223 -0.078 0.000 1.989 453 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 453 L C 2.069 178.892 176.870 -0.077 0.000 1.071 453 L CA 2.021 56.797 54.840 -0.106 0.000 0.749 453 L CB -0.667 41.279 42.059 -0.189 0.000 0.890 453 L HN 0.324 nan 8.230 nan 0.000 0.431 454 D N -0.296 120.066 120.400 -0.063 0.000 2.178 454 D HA -0.270 4.370 4.640 -0.000 0.000 0.201 454 D C 2.098 178.515 176.300 0.195 0.000 0.980 454 D CA 1.332 55.424 54.000 0.153 0.000 0.842 454 D CB 0.113 41.085 40.800 0.286 0.000 0.948 454 D HN 0.398 nan 8.370 nan 0.000 0.472 455 K N 0.425 120.885 120.400 0.100 0.000 2.026 455 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 455 K C 2.491 179.130 176.600 0.065 0.000 1.048 455 K CA 0.823 57.167 56.287 0.094 0.000 0.929 455 K CB -0.127 32.394 32.500 0.034 0.000 0.713 455 K HN 0.161 nan 8.250 nan 0.000 0.439 456 L N 0.529 121.754 121.223 0.003 0.000 2.093 456 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 456 L C 2.817 179.644 176.870 -0.071 0.000 1.085 456 L CA 1.051 55.871 54.840 -0.032 0.000 0.755 456 L CB -0.488 41.539 42.059 -0.053 0.000 0.904 456 L HN 0.279 nan 8.230 nan 0.000 0.435 457 R N 0.195 120.612 120.500 -0.137 0.000 2.170 457 R HA -0.185 4.155 4.340 -0.000 0.000 0.242 457 R C 1.353 177.354 176.300 -0.498 0.000 1.145 457 R CA 1.671 57.557 56.100 -0.356 0.000 0.984 457 R CB 0.005 29.998 30.300 -0.511 0.000 0.869 457 R HN 0.254 nan 8.270 nan 0.000 0.455 458 F N -0.260 119.695 119.950 0.008 0.000 2.706 458 F HA 0.411 4.938 4.527 -0.000 0.000 0.313 458 F C 0.595 176.370 175.800 -0.040 0.000 1.096 458 F CA -0.365 57.629 58.000 -0.010 0.000 1.219 458 F CB 0.231 39.232 39.000 0.002 0.000 1.051 458 F HN -0.058 nan 8.300 nan 0.000 0.568 459 A N 0.769 123.636 122.820 0.079 0.000 2.580 459 A HA 0.012 4.332 4.320 -0.000 0.000 0.244 459 A C 0.576 178.133 177.584 -0.044 0.000 1.045 459 A CA 0.764 52.807 52.037 0.011 0.000 0.761 459 A CB -0.233 18.754 19.000 -0.022 0.000 0.962 459 A HN 0.260 nan 8.150 nan 0.000 0.512 460 D N 2.086 122.459 120.400 -0.044 0.000 2.945 460 D HA 0.324 4.964 4.640 -0.000 0.000 0.366 460 D C 0.825 177.086 176.300 -0.064 0.000 1.352 460 D CA 0.613 54.556 54.000 -0.095 0.000 0.810 460 D CB 0.115 40.877 40.800 -0.063 0.000 1.170 460 D HN 0.669 nan 8.370 nan 0.000 0.461 461 G N -0.552 108.222 108.800 -0.043 0.000 2.546 461 G HA2 0.201 4.161 3.960 -0.000 0.000 0.239 461 G HA3 0.201 4.161 3.960 -0.000 0.000 0.239 461 G C 1.045 175.946 174.900 0.000 0.000 1.476 461 G CA 0.532 45.644 45.100 0.020 0.000 1.064 461 G HN 0.175 nan 8.290 nan 0.000 0.561 462 T N -2.122 112.452 114.554 0.034 0.000 3.001 462 T HA 0.372 4.722 4.350 -0.000 0.000 0.251 462 T C 0.716 175.423 174.700 0.013 0.000 1.040 462 T CA 0.028 62.127 62.100 -0.003 0.000 0.985 462 T CB 0.133 68.969 68.868 -0.054 0.000 1.011 462 T HN 0.171 nan 8.240 nan 0.000 0.509 463 I N 3.624 124.217 120.570 0.038 0.000 2.390 463 I HA 0.370 4.540 4.170 -0.000 0.000 0.283 463 I C 0.141 176.292 176.117 0.056 0.000 1.016 463 I CA -1.135 60.194 61.300 0.047 0.000 1.151 463 I CB 1.408 39.440 38.000 0.054 0.000 1.293 463 I HN 0.206 nan 8.210 nan 0.000 0.458 464 R N 3.889 124.441 120.500 0.087 0.000 2.490 464 R HA 0.305 4.645 4.340 -0.000 0.000 0.280 464 R C 0.514 176.870 176.300 0.094 0.000 1.077 464 R CA -0.392 55.783 56.100 0.125 0.000 1.065 464 R CB 0.532 30.975 30.300 0.238 0.000 1.003 464 R HN 0.541 nan 8.270 nan 0.000 0.470 465 T N 2.035 116.640 114.554 0.086 0.000 2.567 465 T HA -0.328 4.022 4.350 -0.000 0.000 0.261 465 T C 1.908 176.647 174.700 0.065 0.000 1.123 465 T CA 2.747 64.884 62.100 0.061 0.000 1.166 465 T CB -0.619 68.283 68.868 0.056 0.000 0.860 465 T HN 0.854 nan 8.240 nan 0.000 0.436 466 S N 1.326 117.069 115.700 0.072 0.000 2.402 466 S HA -0.211 4.259 4.470 -0.000 0.000 0.233 466 S C 1.945 176.589 174.600 0.074 0.000 1.030 466 S CA 1.642 59.885 58.200 0.070 0.000 1.003 466 S CB -0.487 62.749 63.200 0.061 0.000 0.813 466 S HN 0.685 nan 8.310 nan 0.000 0.477 467 E N 1.579 121.822 120.200 0.072 0.000 2.072 467 E HA -0.013 4.337 4.350 -0.000 0.000 0.190 467 E C 2.238 178.871 176.600 0.056 0.000 0.982 467 E CA 0.789 57.227 56.400 0.063 0.000 0.803 467 E CB -0.386 29.351 29.700 0.061 0.000 0.755 467 E HN 0.617 nan 8.360 nan 0.000 0.453 468 A N 1.848 124.700 122.820 0.053 0.000 1.845 468 A HA -0.224 4.095 4.320 -0.000 0.000 0.215 468 A C 2.200 179.815 177.584 0.052 0.000 1.195 468 A CA 1.697 53.761 52.037 0.044 0.000 0.616 468 A CB -0.730 18.289 19.000 0.031 0.000 0.832 468 A HN 0.237 nan 8.150 nan 0.000 0.443 469 R N -0.699 119.837 120.500 0.060 0.000 2.136 469 R HA -0.231 4.109 4.340 -0.000 0.000 0.242 469 R C 2.093 178.449 176.300 0.094 0.000 1.131 469 R CA 2.220 58.366 56.100 0.076 0.000 0.937 469 R CB -0.679 29.672 30.300 0.085 0.000 0.863 469 R HN 0.433 nan 8.270 nan 0.000 0.435 470 L N 1.827 123.112 121.223 0.104 0.000 2.079 470 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 470 L C 1.758 178.673 176.870 0.074 0.000 1.081 470 L CA 1.849 56.764 54.840 0.124 0.000 0.752 470 L CB -0.647 41.484 42.059 0.119 0.000 0.896 470 L HN 0.255 nan 8.230 nan 0.000 0.433 471 N N -0.509 118.223 118.700 0.052 0.000 2.104 471 N HA -0.257 4.483 4.740 -0.000 0.000 0.190 471 N C 1.870 177.399 175.510 0.033 0.000 1.024 471 N CA 1.990 55.059 53.050 0.032 0.000 0.853 471 N CB -0.418 38.087 38.487 0.031 0.000 1.008 471 N HN 0.535 nan 8.380 nan 0.000 0.424 472 M N 0.913 120.539 119.600 0.043 0.000 2.086 472 M HA -0.200 4.279 4.480 -0.000 0.000 0.261 472 M C 1.762 178.074 176.300 0.021 0.000 1.067 472 M CA 1.521 56.840 55.300 0.032 0.000 1.116 472 M CB -0.063 32.562 32.600 0.043 0.000 1.348 472 M HN 0.091 nan 8.290 nan 0.000 0.407 473 Q N 0.246 120.089 119.800 0.071 0.000 2.050 473 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 473 Q C 2.040 178.106 176.000 0.111 0.000 0.980 473 Q CA 1.660 57.535 55.803 0.121 0.000 0.840 473 Q CB -0.204 28.697 28.738 0.272 0.000 0.898 473 Q HN 0.576 nan 8.270 nan 0.000 0.424 474 K N -0.070 120.358 120.400 0.047 0.000 2.148 474 K HA -0.075 4.245 4.320 -0.000 0.000 0.204 474 K C 2.147 178.771 176.600 0.040 0.000 1.050 474 K CA 1.397 57.659 56.287 -0.040 0.000 0.942 474 K CB 0.021 32.434 32.500 -0.145 0.000 0.724 474 K HN 0.169 nan 8.250 nan 0.000 0.446 475 T N 1.349 115.936 114.554 0.053 0.000 2.737 475 T HA -0.082 4.268 4.350 -0.000 0.000 0.265 475 T C 1.815 176.593 174.700 0.129 0.000 1.038 475 T CA 1.007 63.181 62.100 0.123 0.000 1.144 475 T CB -0.002 68.869 68.868 0.005 0.000 0.866 475 T HN 0.095 nan 8.240 nan 0.000 0.434 476 M N 1.011 120.581 119.600 -0.050 0.000 2.159 476 M HA -0.057 4.423 4.480 -0.000 0.000 0.263 476 M C 2.396 178.637 176.300 -0.098 0.000 1.063 476 M CA 1.391 56.544 55.300 -0.244 0.000 1.110 476 M CB -1.119 31.039 32.600 -0.736 0.000 1.374 476 M HN 0.192 nan 8.290 nan 0.000 0.411 477 Q N 0.777 120.612 119.800 0.059 0.000 2.124 477 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 477 Q C 1.791 177.925 176.000 0.222 0.000 0.977 477 Q CA 2.177 58.164 55.803 0.307 0.000 0.850 477 Q CB -0.019 28.907 28.738 0.313 0.000 0.901 477 Q HN 0.600 nan 8.270 nan 0.000 0.429 478 S N -2.007 113.753 115.700 0.100 0.000 2.523 478 S HA 0.128 4.598 4.470 -0.000 0.000 0.217 478 S C 0.983 175.453 174.600 -0.218 0.000 0.996 478 S CA -0.248 57.920 58.200 -0.053 0.000 0.921 478 S CB 0.015 63.131 63.200 -0.139 0.000 0.829 478 S HN 0.412 nan 8.310 nan 0.000 0.495 479 H N 0.937 120.045 119.070 0.063 0.000 2.827 479 H HA 0.536 5.091 4.556 -0.000 0.000 0.269 479 H C 0.472 175.848 175.328 0.080 0.000 1.031 479 H CA 0.568 56.643 56.048 0.045 0.000 1.202 479 H CB 0.863 30.628 29.762 0.005 0.000 1.511 479 H HN 0.486 nan 8.280 nan 0.000 0.517 480 A N 0.922 123.887 122.820 0.242 0.000 3.415 480 A HA 0.626 4.946 4.320 -0.000 0.000 0.244 480 A C 0.413 178.275 177.584 0.465 0.000 0.988 480 A CA 0.010 52.229 52.037 0.302 0.000 0.991 480 A CB -0.235 18.941 19.000 0.294 0.000 1.240 480 A HN 0.255 nan 8.150 nan 0.000 0.541 481 A N -0.278 122.696 122.820 0.256 0.000 3.179 481 A HA 0.717 5.037 4.320 -0.000 0.000 0.213 481 A C 1.461 178.786 177.584 -0.433 0.000 1.752 481 A CA 0.517 52.581 52.037 0.046 0.000 0.857 481 A CB -0.567 18.415 19.000 -0.030 0.000 1.798 481 A HN 0.671 nan 8.150 nan 0.000 0.606 482 V N -1.009 118.378 119.914 -0.880 0.000 2.220 482 V HA -0.132 3.988 4.120 -0.000 0.000 0.246 482 V C 0.737 176.401 176.094 -0.717 0.000 1.049 482 V CA 1.480 63.198 62.300 -0.969 0.000 1.003 482 V CB -0.990 30.291 31.823 -0.904 0.000 0.634 482 V HN 0.486 nan 8.190 nan 0.000 0.444 483 F N 0.148 119.973 119.950 -0.209 0.000 2.394 483 F HA 0.608 5.135 4.527 -0.000 0.000 0.340 483 F C 0.609 176.346 175.800 -0.104 0.000 1.105 483 F CA -0.404 57.514 58.000 -0.137 0.000 1.124 483 F CB 0.666 39.599 39.000 -0.111 0.000 1.145 483 F HN -0.035 nan 8.300 nan 0.000 0.505 484 R N 0.687 121.222 120.500 0.059 0.000 2.888 484 R HA 0.836 5.176 4.340 -0.000 0.000 0.266 484 R C -1.217 175.097 176.300 0.024 0.000 1.020 484 R CA -1.079 55.035 56.100 0.024 0.000 0.963 484 R CB 2.476 32.763 30.300 -0.022 0.000 1.197 484 R HN 0.575 nan 8.270 nan 0.000 0.481 485 T N -0.599 113.974 114.554 0.033 0.000 2.982 485 T HA 0.200 4.550 4.350 -0.000 0.000 0.321 485 T C 0.921 175.651 174.700 0.051 0.000 1.229 485 T CA -0.412 61.708 62.100 0.033 0.000 1.044 485 T CB 1.872 70.747 68.868 0.013 0.000 1.184 485 T HN 0.776 nan 8.240 nan 0.000 0.477 486 G N 1.708 110.551 108.800 0.070 0.000 2.513 486 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.219 486 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.219 486 G C 1.864 176.793 174.900 0.047 0.000 1.160 486 G CA 1.743 46.888 45.100 0.075 0.000 0.767 486 G HN 0.831 nan 8.290 nan 0.000 0.571 487 S N 0.663 116.387 115.700 0.040 0.000 2.345 487 S HA -0.038 4.432 4.470 -0.000 0.000 0.220 487 S C 2.379 177.012 174.600 0.055 0.000 1.031 487 S CA 1.245 59.467 58.200 0.036 0.000 0.996 487 S CB -0.463 62.752 63.200 0.025 0.000 0.882 487 S HN 0.353 nan 8.310 nan 0.000 0.445 488 I N 1.555 122.166 120.570 0.069 0.000 2.226 488 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 488 I C 2.539 178.774 176.117 0.197 0.000 1.100 488 I CA 1.291 62.670 61.300 0.132 0.000 1.374 488 I CB -0.469 37.563 38.000 0.053 0.000 1.057 488 I HN 0.301 nan 8.210 nan 0.000 0.413 489 L N -0.053 121.227 121.223 0.097 0.000 2.093 489 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 489 L C 2.604 179.445 176.870 -0.049 0.000 1.085 489 L CA 1.416 56.284 54.840 0.047 0.000 0.755 489 L CB -0.528 41.546 42.059 0.026 0.000 0.904 489 L HN 0.314 nan 8.230 nan 0.000 0.435 490 Q N -0.340 119.438 119.800 -0.038 0.000 2.124 490 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 490 Q C 2.089 178.031 176.000 -0.098 0.000 0.977 490 Q CA 1.677 57.429 55.803 -0.085 0.000 0.850 490 Q CB 0.015 28.736 28.738 -0.029 0.000 0.901 490 Q HN 0.443 nan 8.270 nan 0.000 0.429 491 E N -0.289 119.886 120.200 -0.041 0.000 2.031 491 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 491 E C 1.998 178.415 176.600 -0.305 0.000 0.994 491 E CA 1.237 57.587 56.400 -0.083 0.000 0.800 491 E CB -0.320 29.424 29.700 0.074 0.000 0.752 491 E HN 0.399 nan 8.360 nan 0.000 0.447 492 G N 0.571 109.093 108.800 -0.465 0.000 2.469 492 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.219 492 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.219 492 G C 1.750 176.454 174.900 -0.327 0.000 1.150 492 G CA 1.077 45.799 45.100 -0.629 0.000 0.763 492 G HN 0.439 nan 8.290 nan 0.000 0.561 493 C N 0.030 119.135 119.300 -0.324 0.000 2.413 493 C HA 0.008 4.468 4.460 -0.000 0.000 0.277 493 C C 2.831 177.718 174.990 -0.172 0.000 1.265 493 C CA 0.953 59.698 59.018 -0.456 0.000 1.752 493 C CB -0.496 26.675 27.740 -0.948 0.000 1.998 493 C HN 0.430 nan 8.230 nan 0.000 0.489 494 E N 1.030 121.148 120.200 -0.137 0.000 2.033 494 E HA -0.080 4.270 4.350 -0.000 0.000 0.189 494 E C 2.194 178.776 176.600 -0.030 0.000 0.979 494 E CA 0.852 57.231 56.400 -0.034 0.000 0.802 494 E CB -0.436 29.245 29.700 -0.031 0.000 0.763 494 E HN 0.598 nan 8.360 nan 0.000 0.449 495 K N 0.778 121.119 120.400 -0.099 0.000 2.059 495 K HA -0.160 4.160 4.320 -0.000 0.000 0.212 495 K C 2.319 178.903 176.600 -0.027 0.000 1.050 495 K CA 1.109 57.348 56.287 -0.080 0.000 0.927 495 K CB -0.339 32.062 32.500 -0.166 0.000 0.714 495 K HN 0.102 nan 8.250 nan 0.000 0.447 496 L N 0.868 122.068 121.223 -0.039 0.000 2.012 496 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 496 L C 2.298 179.233 176.870 0.109 0.000 1.073 496 L CA 1.523 56.383 54.840 0.034 0.000 0.748 496 L CB -0.415 41.667 42.059 0.039 0.000 0.891 496 L HN 0.204 nan 8.230 nan 0.000 0.431 497 S N -1.061 114.713 115.700 0.124 0.000 2.447 497 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 497 S C 1.670 176.353 174.600 0.139 0.000 1.006 497 S CA 0.730 59.014 58.200 0.139 0.000 0.957 497 S CB -0.016 63.269 63.200 0.142 0.000 0.773 497 S HN 0.367 nan 8.310 nan 0.000 0.507 498 Q N 1.899 121.758 119.800 0.098 0.000 1.994 498 Q HA 0.076 4.416 4.340 -0.000 0.000 0.198 498 Q C 1.889 177.949 176.000 0.100 0.000 0.976 498 Q CA 1.496 57.349 55.803 0.085 0.000 0.828 498 Q CB -0.723 28.046 28.738 0.050 0.000 0.894 498 Q HN 0.533 nan 8.270 nan 0.000 0.432 499 I N -0.137 120.487 120.570 0.090 0.000 2.151 499 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 499 I C 2.174 178.349 176.117 0.097 0.000 1.080 499 I CA 1.730 63.079 61.300 0.081 0.000 1.339 499 I CB -0.436 37.605 38.000 0.069 0.000 1.039 499 I HN 0.268 nan 8.210 nan 0.000 0.409 500 Y N 1.495 121.807 120.300 0.019 0.000 2.181 500 Y HA -0.223 4.327 4.550 -0.000 0.000 0.288 500 Y C 2.735 178.639 175.900 0.006 0.000 1.146 500 Y CA 1.532 59.638 58.100 0.009 0.000 1.164 500 Y CB -0.107 38.354 38.460 0.002 0.000 0.982 500 Y HN -0.036 nan 8.280 nan 0.000 0.515 501 R N -0.130 120.494 120.500 0.207 0.000 2.075 501 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 501 R C 1.453 177.763 176.300 0.017 0.000 1.126 501 R CA 1.434 57.603 56.100 0.115 0.000 0.963 501 R CB -0.306 30.066 30.300 0.120 0.000 0.858 501 R HN 0.301 nan 8.270 nan 0.000 0.435 502 D N 0.798 121.231 120.400 0.056 0.000 2.384 502 D HA -0.091 4.549 4.640 -0.000 0.000 0.222 502 D C 1.506 177.819 176.300 0.021 0.000 0.976 502 D CA 0.654 54.711 54.000 0.095 0.000 0.915 502 D CB -0.006 40.865 40.800 0.119 0.000 0.896 502 D HN 0.226 nan 8.370 nan 0.000 0.523 503 L N -0.080 121.088 121.223 -0.091 0.000 2.456 503 L HA -0.068 4.272 4.340 -0.000 0.000 0.224 503 L C 2.164 178.952 176.870 -0.136 0.000 1.148 503 L CA 0.534 55.292 54.840 -0.137 0.000 0.825 503 L CB -0.328 41.560 42.059 -0.284 0.000 0.937 503 L HN -0.009 nan 8.230 nan 0.000 0.450 504 A N -1.575 121.137 122.820 -0.180 0.000 2.206 504 A HA -0.109 4.211 4.320 -0.000 0.000 0.211 504 A C 1.492 178.909 177.584 -0.279 0.000 1.158 504 A CA 0.700 52.596 52.037 -0.235 0.000 0.761 504 A CB -0.451 18.374 19.000 -0.291 0.000 0.801 504 A HN 0.389 nan 8.150 nan 0.000 0.473 505 H N -0.697 118.349 119.070 -0.039 0.000 2.507 505 H HA 0.336 4.892 4.556 -0.000 0.000 0.294 505 H C -0.190 175.117 175.328 -0.035 0.000 1.064 505 H CA -0.300 55.730 56.048 -0.030 0.000 1.138 505 H CB -0.132 29.618 29.762 -0.020 0.000 1.515 505 H HN 0.310 nan 8.280 nan 0.000 0.547 506 L N 2.127 123.368 121.223 0.031 0.000 2.426 506 L HA 0.108 4.448 4.340 -0.000 0.000 0.271 506 L C 0.421 177.280 176.870 -0.018 0.000 1.169 506 L CA 0.048 54.892 54.840 0.007 0.000 0.836 506 L CB 0.615 42.660 42.059 -0.022 0.000 1.112 506 L HN 0.197 nan 8.230 nan 0.000 0.465 507 K N 1.054 121.434 120.400 -0.034 0.000 2.463 507 K HA 0.568 4.887 4.320 -0.000 0.000 0.255 507 K C -0.737 175.790 176.600 -0.122 0.000 0.942 507 K CA -0.735 55.473 56.287 -0.132 0.000 0.814 507 K CB 1.685 34.053 32.500 -0.220 0.000 1.122 507 K HN 0.519 nan 8.250 nan 0.000 0.425 508 T N -0.788 113.681 114.554 -0.141 0.000 2.952 508 T HA 0.515 4.865 4.350 -0.000 0.000 0.286 508 T C 0.037 174.673 174.700 -0.106 0.000 1.024 508 T CA -0.667 61.432 62.100 -0.002 0.000 1.029 508 T CB 0.555 69.417 68.868 -0.010 0.000 1.094 508 T HN 0.498 nan 8.240 nan 0.000 0.515 509 F N -1.196 118.749 119.950 -0.007 0.000 2.658 509 F HA 0.348 4.874 4.527 -0.000 0.000 0.293 509 F C 1.009 176.805 175.800 -0.007 0.000 0.986 509 F CA -0.593 57.410 58.000 0.005 0.000 1.182 509 F CB 0.064 39.069 39.000 0.009 0.000 0.965 509 F HN 0.491 nan 8.300 nan 0.000 0.659 510 D N 1.607 122.120 120.400 0.189 0.000 2.417 510 D HA 0.078 4.718 4.640 -0.000 0.000 0.250 510 D C 0.814 177.112 176.300 -0.003 0.000 1.166 510 D CA 0.335 54.383 54.000 0.080 0.000 0.881 510 D CB 0.831 41.659 40.800 0.047 0.000 1.164 510 D HN -0.030 nan 8.370 nan 0.000 0.467 511 R N 2.583 123.077 120.500 -0.009 0.000 2.472 511 R HA 0.256 4.596 4.340 -0.000 0.000 0.279 511 R C 0.873 177.105 176.300 -0.113 0.000 0.953 511 R CA -0.396 55.643 56.100 -0.102 0.000 1.088 511 R CB 0.512 30.843 30.300 0.051 0.000 1.197 511 R HN 0.387 nan 8.270 nan 0.000 0.536 512 G N 0.445 109.215 108.800 -0.051 0.000 2.525 512 G HA2 0.296 4.256 3.960 -0.000 0.000 0.287 512 G HA3 0.296 4.256 3.960 -0.000 0.000 0.287 512 G C 0.353 175.221 174.900 -0.053 0.000 1.350 512 G CA -0.338 44.744 45.100 -0.029 0.000 1.039 512 G HN 0.135 nan 8.290 nan 0.000 0.513 513 I N -1.670 118.889 120.570 -0.018 0.000 4.456 513 I HA 0.281 4.451 4.170 -0.000 0.000 0.329 513 I C 0.367 176.491 176.117 0.010 0.000 1.313 513 I CA -0.009 61.288 61.300 -0.005 0.000 1.205 513 I CB 0.874 38.884 38.000 0.017 0.000 1.179 513 I HN 0.109 nan 8.210 nan 0.000 0.419 514 V N 2.142 122.083 119.914 0.045 0.000 2.455 514 V HA 0.076 4.196 4.120 -0.000 0.000 0.273 514 V C -0.255 175.945 176.094 0.177 0.000 1.045 514 V CA -0.149 62.210 62.300 0.099 0.000 0.976 514 V CB -0.170 31.733 31.823 0.135 0.000 0.993 514 V HN 0.588 nan 8.190 nan 0.000 0.475 515 W N 3.918 125.216 121.300 -0.003 0.000 6.719 515 W HA -0.232 4.428 4.660 -0.000 0.000 0.406 515 W C 0.960 177.465 176.519 -0.024 0.000 1.551 515 W CA 0.527 57.867 57.345 -0.008 0.000 1.103 515 W CB -0.722 28.739 29.460 0.002 0.000 2.735 515 W HN 0.715 nan 8.180 nan 0.000 1.586 516 N N 0.867 119.574 118.700 0.011 0.000 2.555 516 N HA 0.088 4.827 4.740 -0.000 0.000 0.244 516 N C 1.209 176.680 175.510 -0.064 0.000 1.114 516 N CA 1.001 54.047 53.050 -0.006 0.000 0.963 516 N CB 0.624 39.080 38.487 -0.052 0.000 1.276 516 N HN 0.214 nan 8.380 nan 0.000 0.510 517 T N -0.960 113.598 114.554 0.007 0.000 3.148 517 T HA -0.038 4.312 4.350 -0.000 0.000 0.253 517 T C 1.172 175.848 174.700 -0.041 0.000 1.134 517 T CA 0.122 62.200 62.100 -0.037 0.000 1.051 517 T CB 0.244 69.155 68.868 0.071 0.000 0.959 517 T HN 0.220 nan 8.240 nan 0.000 0.525 518 D N 1.266 121.654 120.400 -0.020 0.000 2.103 518 D HA -0.050 4.590 4.640 -0.000 0.000 0.199 518 D C 1.844 178.119 176.300 -0.042 0.000 0.978 518 D CA 0.623 54.621 54.000 -0.003 0.000 0.829 518 D CB -0.334 40.486 40.800 0.034 0.000 0.981 518 D HN 0.357 nan 8.370 nan 0.000 0.464 519 L N 0.225 121.398 121.223 -0.083 0.000 2.044 519 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 519 L C 2.368 179.117 176.870 -0.201 0.000 1.075 519 L CA 1.337 56.101 54.840 -0.127 0.000 0.747 519 L CB -0.805 41.169 42.059 -0.142 0.000 0.903 519 L HN -0.062 nan 8.230 nan 0.000 0.435 520 V N 0.278 120.022 119.914 -0.284 0.000 2.282 520 V HA -0.324 3.796 4.120 -0.000 0.000 0.249 520 V C 2.497 178.377 176.094 -0.356 0.000 1.057 520 V CA 2.266 64.266 62.300 -0.500 0.000 1.032 520 V CB -0.772 30.741 31.823 -0.517 0.000 0.645 520 V HN 0.540 nan 8.190 nan 0.000 0.447 521 E N -0.607 119.489 120.200 -0.175 0.000 2.347 521 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 521 E C 2.125 178.701 176.600 -0.040 0.000 1.008 521 E CA 1.315 57.673 56.400 -0.070 0.000 0.852 521 E CB -0.103 29.584 29.700 -0.022 0.000 0.783 521 E HN 0.622 nan 8.360 nan 0.000 0.505 522 T N 1.003 115.518 114.554 -0.066 0.000 2.894 522 T HA 0.020 4.369 4.350 -0.000 0.000 0.258 522 T C 1.940 176.618 174.700 -0.036 0.000 1.043 522 T CA 0.308 62.384 62.100 -0.039 0.000 1.141 522 T CB -0.000 68.841 68.868 -0.044 0.000 0.873 522 T HN 0.075 nan 8.240 nan 0.000 0.449 523 L N 0.983 122.164 121.223 -0.071 0.000 2.079 523 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 523 L C 2.583 179.516 176.870 0.105 0.000 1.081 523 L CA 1.423 56.266 54.840 0.004 0.000 0.752 523 L CB -0.538 41.494 42.059 -0.045 0.000 0.896 523 L HN 0.334 nan 8.230 nan 0.000 0.433 524 E N -0.316 119.936 120.200 0.087 0.000 2.274 524 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 524 E C 2.035 178.690 176.600 0.092 0.000 0.996 524 E CA 0.612 57.105 56.400 0.154 0.000 0.840 524 E CB 0.003 29.788 29.700 0.142 0.000 0.772 524 E HN 0.292 nan 8.360 nan 0.000 0.491 525 L N 1.065 122.319 121.223 0.052 0.000 2.072 525 L HA -0.157 4.183 4.340 -0.000 0.000 0.205 525 L C 2.084 178.970 176.870 0.028 0.000 1.079 525 L CA 1.666 56.529 54.840 0.039 0.000 0.752 525 L CB -0.111 41.959 42.059 0.018 0.000 0.906 525 L HN 0.010 nan 8.230 nan 0.000 0.436 526 Q N -0.593 119.217 119.800 0.016 0.000 2.050 526 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 526 Q C 1.993 178.024 176.000 0.052 0.000 0.980 526 Q CA 1.717 57.524 55.803 0.007 0.000 0.840 526 Q CB -0.246 28.493 28.738 0.001 0.000 0.898 526 Q HN 0.540 nan 8.270 nan 0.000 0.424 527 N N 0.763 119.500 118.700 0.062 0.000 2.043 527 N HA -0.157 4.583 4.740 -0.000 0.000 0.193 527 N C 1.887 177.406 175.510 0.016 0.000 1.037 527 N CA 1.114 54.192 53.050 0.046 0.000 0.851 527 N CB -0.422 38.110 38.487 0.075 0.000 1.027 527 N HN 0.169 nan 8.380 nan 0.000 0.422 528 L N 0.383 121.630 121.223 0.039 0.000 2.012 528 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 528 L C 2.401 179.271 176.870 0.001 0.000 1.073 528 L CA 1.003 55.858 54.840 0.026 0.000 0.748 528 L CB -0.316 41.783 42.059 0.067 0.000 0.891 528 L HN 0.172 nan 8.230 nan 0.000 0.431 529 M N -0.743 118.888 119.600 0.053 0.000 2.159 529 M HA -0.214 4.266 4.480 -0.000 0.000 0.263 529 M C 2.385 178.734 176.300 0.081 0.000 1.063 529 M CA 1.746 57.113 55.300 0.111 0.000 1.110 529 M CB -0.950 31.779 32.600 0.215 0.000 1.374 529 M HN 0.277 nan 8.290 nan 0.000 0.411 530 L N -0.854 120.408 121.223 0.065 0.000 2.079 530 L HA -0.285 4.055 4.340 -0.000 0.000 0.210 530 L C 2.535 179.318 176.870 -0.145 0.000 1.081 530 L CA 1.073 55.899 54.840 -0.024 0.000 0.752 530 L CB -0.544 41.504 42.059 -0.018 0.000 0.896 530 L HN 0.369 nan 8.230 nan 0.000 0.433 531 C N -0.925 118.235 119.300 -0.233 0.000 2.486 531 C HA 0.002 4.462 4.460 -0.000 0.000 0.279 531 C C 3.090 177.874 174.990 -0.342 0.000 1.302 531 C CA 0.434 59.158 59.018 -0.491 0.000 1.720 531 C CB -0.908 26.206 27.740 -1.044 0.000 2.030 531 C HN 0.604 nan 8.230 nan 0.000 0.490 532 A N 0.650 123.368 122.820 -0.171 0.000 1.902 532 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 532 A C 2.101 179.682 177.584 -0.004 0.000 1.181 532 A CA 1.479 53.486 52.037 -0.051 0.000 0.623 532 A CB -0.636 18.350 19.000 -0.023 0.000 0.818 532 A HN 0.594 nan 8.150 nan 0.000 0.443 533 L N -0.916 120.302 121.223 -0.007 0.000 1.955 533 L HA -0.300 4.040 4.340 -0.000 0.000 0.213 533 L C 2.932 179.857 176.870 0.093 0.000 1.072 533 L CA 2.020 56.893 54.840 0.055 0.000 0.755 533 L CB -0.667 41.320 42.059 -0.121 0.000 0.888 533 L HN 0.453 nan 8.230 nan 0.000 0.432 534 Q N -1.023 118.752 119.800 -0.042 0.000 2.197 534 Q HA -0.211 4.128 4.340 -0.000 0.000 0.207 534 Q C 2.110 178.127 176.000 0.027 0.000 0.984 534 Q CA 2.036 57.818 55.803 -0.035 0.000 0.869 534 Q CB -0.218 28.454 28.738 -0.109 0.000 0.906 534 Q HN 0.524 nan 8.270 nan 0.000 0.426 535 T N 0.536 115.107 114.554 0.028 0.000 2.812 535 T HA -0.066 4.284 4.350 -0.000 0.000 0.264 535 T C 1.717 176.457 174.700 0.066 0.000 1.042 535 T CA 0.770 62.913 62.100 0.070 0.000 1.140 535 T CB -0.039 68.918 68.868 0.149 0.000 0.870 535 T HN 0.213 nan 8.240 nan 0.000 0.445 536 I N -0.381 120.236 120.570 0.079 0.000 2.716 536 I HA 0.004 4.174 4.170 -0.000 0.000 0.259 536 I C 1.653 177.754 176.117 -0.027 0.000 1.172 536 I CA 0.892 62.208 61.300 0.027 0.000 1.478 536 I CB 0.070 38.060 38.000 -0.017 0.000 1.104 536 I HN 0.201 nan 8.210 nan 0.000 0.439 537 Y N 0.275 120.559 120.300 -0.026 0.000 2.243 537 Y HA 0.003 4.553 4.550 -0.000 0.000 0.293 537 Y C 2.516 178.404 175.900 -0.020 0.000 1.124 537 Y CA 1.497 59.585 58.100 -0.020 0.000 1.159 537 Y CB -0.906 37.537 38.460 -0.028 0.000 1.008 537 Y HN 0.156 nan 8.280 nan 0.000 0.527 538 G N -0.556 108.314 108.800 0.115 0.000 2.422 538 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 538 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 538 G C 1.870 176.701 174.900 -0.115 0.000 1.146 538 G CA 0.912 46.026 45.100 0.024 0.000 0.769 538 G HN 0.453 nan 8.290 nan 0.000 0.547 539 A N 0.574 123.312 122.820 -0.137 0.000 1.898 539 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 539 A C 2.197 179.760 177.584 -0.035 0.000 1.181 539 A CA 1.969 53.890 52.037 -0.194 0.000 0.620 539 A CB -0.406 18.602 19.000 0.012 0.000 0.819 539 A HN 0.331 nan 8.150 nan 0.000 0.442 540 E N 0.559 120.742 120.200 -0.028 0.000 2.077 540 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 540 E C 2.140 178.716 176.600 -0.040 0.000 0.989 540 E CA 1.414 57.798 56.400 -0.027 0.000 0.800 540 E CB -0.339 29.308 29.700 -0.087 0.000 0.746 540 E HN 0.452 nan 8.360 nan 0.000 0.452 541 A N 1.296 124.103 122.820 -0.022 0.000 1.969 541 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 541 A C 1.950 179.324 177.584 -0.350 0.000 1.169 541 A CA 0.715 52.759 52.037 0.012 0.000 0.635 541 A CB -0.390 18.743 19.000 0.221 0.000 0.810 541 A HN 0.134 nan 8.150 nan 0.000 0.445 542 R N 1.222 121.392 120.500 -0.550 0.000 2.609 542 R HA 0.119 4.459 4.340 -0.000 0.000 0.271 542 R C -0.816 174.909 176.300 -0.958 0.000 1.403 542 R CA -0.028 55.359 56.100 -1.188 0.000 1.138 542 R CB -0.341 29.534 30.300 -0.708 0.000 1.142 542 R HN 0.231 nan 8.270 nan 0.000 0.559 543 K N 4.581 124.164 120.400 -1.362 0.000 2.278 543 K HA 0.015 4.335 4.320 -0.000 0.000 0.237 543 K C -0.707 175.377 176.600 -0.861 0.000 1.229 543 K CA 0.016 55.643 56.287 -1.101 0.000 1.155 543 K CB 0.105 31.812 32.500 -1.322 0.000 1.590 543 K HN 0.665 nan 8.250 nan 0.000 0.290 544 E N -1.471 118.472 120.200 -0.427 0.000 2.403 544 E HA 0.230 4.580 4.350 -0.000 0.000 0.280 544 E C -1.413 175.209 176.600 0.036 0.000 1.101 544 E CA -0.957 55.403 56.400 -0.067 0.000 0.856 544 E CB 0.856 30.550 29.700 -0.010 0.000 1.303 544 E HN -0.076 nan 8.360 nan 0.000 0.441 545 S N 0.543 116.312 115.700 0.116 0.000 2.438 545 S HA 0.539 5.009 4.470 -0.000 0.000 0.316 545 S C -0.940 173.776 174.600 0.194 0.000 1.084 545 S CA -0.661 57.605 58.200 0.110 0.000 1.107 545 S CB 0.568 63.832 63.200 0.107 0.000 0.981 545 S HN 0.421 nan 8.310 nan 0.000 0.466 546 R N 2.571 123.235 120.500 0.273 0.000 2.510 546 R HA 0.518 4.858 4.340 -0.000 0.000 0.294 546 R C 0.738 177.269 176.300 0.385 0.000 1.056 546 R CA 0.356 56.656 56.100 0.333 0.000 0.918 546 R CB 0.759 31.294 30.300 0.392 0.000 1.187 546 R HN 0.868 nan 8.270 nan 0.000 0.437 547 G N 2.707 111.670 108.800 0.270 0.000 2.602 547 G HA2 -0.480 3.480 3.960 -0.000 0.000 0.310 547 G HA3 -0.480 3.480 3.960 -0.000 0.000 0.310 547 G C 0.776 175.817 174.900 0.235 0.000 1.183 547 G CA 0.652 45.898 45.100 0.244 0.000 0.979 547 G HN 0.805 nan 8.290 nan 0.000 0.545 548 A N -0.617 122.389 122.820 0.309 0.000 2.066 548 A HA 0.279 4.599 4.320 -0.000 0.000 0.218 548 A C 1.298 179.007 177.584 0.207 0.000 1.157 548 A CA 1.932 54.118 52.037 0.249 0.000 0.670 548 A CB -0.290 18.896 19.000 0.309 0.000 0.804 548 A HN 1.346 nan 8.150 nan 0.000 0.453 549 H N 0.487 119.632 119.070 0.125 0.000 2.911 549 H HA 0.568 5.124 4.556 -0.000 0.000 0.273 549 H C -0.272 175.066 175.328 0.016 0.000 1.157 549 H CA -0.298 55.734 56.048 -0.025 0.000 1.402 549 H CB 0.112 29.732 29.762 -0.236 0.000 1.463 549 H HN 0.210 nan 8.280 nan 0.000 0.475 550 A N 6.779 129.444 122.820 -0.258 0.000 2.277 550 A HA 0.444 4.764 4.320 -0.000 0.000 0.318 550 A C -0.233 177.245 177.584 -0.177 0.000 1.339 550 A CA -0.951 50.987 52.037 -0.165 0.000 0.875 550 A CB 0.269 19.180 19.000 -0.148 0.000 1.158 550 A HN 0.621 nan 8.150 nan 0.000 0.514 551 R N 2.116 122.509 120.500 -0.178 0.000 2.221 551 R HA 0.208 4.548 4.340 -0.000 0.000 0.327 551 R C 0.173 176.494 176.300 0.036 0.000 1.033 551 R CA -0.217 55.835 56.100 -0.081 0.000 0.887 551 R CB 1.158 31.447 30.300 -0.019 0.000 1.057 551 R HN 0.833 nan 8.270 nan 0.000 0.455 552 E N 1.066 121.290 120.200 0.040 0.000 2.358 552 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 552 E C 0.348 176.909 176.600 -0.064 0.000 1.010 552 E CA 0.831 57.230 56.400 -0.003 0.000 0.856 552 E CB 0.357 30.030 29.700 -0.046 0.000 0.795 552 E HN 0.545 nan 8.360 nan 0.000 0.504 553 D N -0.786 119.561 120.400 -0.088 0.000 2.339 553 D HA -0.096 4.544 4.640 -0.000 0.000 0.217 553 D C -0.186 175.755 176.300 -0.597 0.000 1.050 553 D CA 0.060 53.894 54.000 -0.277 0.000 0.856 553 D CB -0.087 40.563 40.800 -0.250 0.000 0.922 553 D HN 0.195 nan 8.370 nan 0.000 0.518 554 Y N 0.404 120.694 120.300 -0.015 0.000 2.583 554 Y HA 0.248 4.798 4.550 -0.000 0.000 0.303 554 Y C 0.731 176.635 175.900 0.007 0.000 1.108 554 Y CA -0.714 57.385 58.100 -0.002 0.000 1.252 554 Y CB 1.025 39.471 38.460 -0.024 0.000 1.114 554 Y HN -0.283 nan 8.280 nan 0.000 0.594 555 K N 0.956 121.410 120.400 0.090 0.000 2.555 555 K HA 0.118 4.438 4.320 -0.000 0.000 0.193 555 K C 0.017 176.685 176.600 0.114 0.000 1.032 555 K CA 0.628 56.969 56.287 0.090 0.000 1.004 555 K CB 0.370 32.901 32.500 0.051 0.000 0.804 555 K HN 0.431 nan 8.250 nan 0.000 0.496 556 L N 0.305 121.611 121.223 0.137 0.000 2.334 556 L HA 0.410 4.750 4.340 -0.000 0.000 0.270 556 L C 0.197 177.167 176.870 0.167 0.000 1.018 556 L CA -1.142 53.782 54.840 0.140 0.000 0.811 556 L CB 1.339 43.477 42.059 0.131 0.000 1.271 556 L HN -0.107 nan 8.230 nan 0.000 0.443 557 R N 1.565 122.166 120.500 0.167 0.000 2.297 557 R HA 0.539 4.879 4.340 -0.000 0.000 0.308 557 R C -1.063 175.360 176.300 0.204 0.000 1.029 557 R CA -0.400 55.818 56.100 0.196 0.000 0.929 557 R CB 0.665 31.081 30.300 0.193 0.000 1.046 557 R HN 0.552 nan 8.270 nan 0.000 0.461 558 I N 5.148 125.871 120.570 0.255 0.000 2.371 558 I HA 0.210 4.380 4.170 -0.000 0.000 0.282 558 I C -0.200 176.055 176.117 0.229 0.000 1.031 558 I CA -0.563 60.886 61.300 0.249 0.000 1.180 558 I CB 1.206 39.399 38.000 0.320 0.000 1.336 558 I HN 0.523 nan 8.210 nan 0.000 0.467 559 D N 5.319 125.796 120.400 0.128 0.000 2.529 559 D HA 0.090 4.730 4.640 -0.000 0.000 0.273 559 D C 1.088 177.170 176.300 -0.364 0.000 1.197 559 D CA -0.381 53.606 54.000 -0.021 0.000 1.070 559 D CB 1.074 41.986 40.800 0.187 0.000 1.134 559 D HN 0.526 nan 8.370 nan 0.000 0.590 560 E N 0.100 119.894 120.200 -0.676 0.000 2.347 560 E HA -0.096 4.254 4.350 -0.000 0.000 0.196 560 E C -0.051 176.124 176.600 -0.708 0.000 1.008 560 E CA 0.907 56.833 56.400 -0.790 0.000 0.852 560 E CB 0.035 29.376 29.700 -0.598 0.000 0.783 560 E HN 0.307 nan 8.360 nan 0.000 0.505 561 F N 0.512 120.280 119.950 -0.302 0.000 2.629 561 F HA 0.230 4.757 4.527 -0.000 0.000 0.316 561 F C -0.274 175.297 175.800 -0.382 0.000 1.081 561 F CA -1.411 56.320 58.000 -0.448 0.000 0.954 561 F CB 1.549 40.014 39.000 -0.891 0.000 1.337 561 F HN -0.273 nan 8.300 nan 0.000 0.474 562 D N 0.987 121.347 120.400 -0.067 0.000 2.393 562 D HA 0.066 4.706 4.640 -0.000 0.000 0.232 562 D C -0.022 176.225 176.300 -0.088 0.000 1.192 562 D CA 0.047 54.032 54.000 -0.025 0.000 0.882 562 D CB 0.158 40.959 40.800 0.000 0.000 1.038 562 D HN 0.416 nan 8.370 nan 0.000 0.499 563 Y N 1.580 121.879 120.300 -0.001 0.000 2.553 563 Y HA -0.058 4.491 4.550 -0.000 0.000 0.303 563 Y C 2.379 178.234 175.900 -0.075 0.000 1.194 563 Y CA 0.448 58.506 58.100 -0.069 0.000 1.305 563 Y CB 0.013 38.376 38.460 -0.162 0.000 1.045 563 Y HN 0.414 nan 8.280 nan 0.000 0.514 564 S N -1.319 114.418 115.700 0.062 0.000 2.528 564 S HA 0.123 4.593 4.470 -0.000 0.000 0.219 564 S C 0.453 175.058 174.600 0.008 0.000 0.985 564 S CA -0.098 58.122 58.200 0.033 0.000 0.914 564 S CB 0.082 63.303 63.200 0.035 0.000 0.776 564 S HN 0.195 nan 8.310 nan 0.000 0.526 565 K N 1.095 121.488 120.400 -0.012 0.000 2.400 565 K HA 0.547 4.867 4.320 -0.000 0.000 0.246 565 K C -3.232 173.331 176.600 -0.061 0.000 0.995 565 K CA -2.620 53.650 56.287 -0.028 0.000 0.840 565 K CB 0.993 33.480 32.500 -0.023 0.000 1.293 565 K HN -0.107 nan 8.250 nan 0.000 0.445 566 P HA -0.003 nan 4.420 nan 0.000 0.262 566 P C 0.236 177.456 177.300 -0.133 0.000 1.182 566 P CA 0.245 63.292 63.100 -0.087 0.000 0.761 566 P CB 0.395 32.057 31.700 -0.062 0.000 0.795 567 L N 1.013 122.104 121.223 -0.221 0.000 2.362 567 L HA -0.096 4.244 4.340 -0.000 0.000 0.219 567 L C 1.273 178.018 176.870 -0.209 0.000 1.134 567 L CA 0.537 55.168 54.840 -0.349 0.000 0.807 567 L CB -0.634 41.026 42.059 -0.665 0.000 0.927 567 L HN 0.424 nan 8.230 nan 0.000 0.447 568 Q N 2.106 121.823 119.800 -0.138 0.000 2.413 568 Q HA 0.088 4.428 4.340 -0.000 0.000 0.298 568 Q C 0.818 176.791 176.000 -0.046 0.000 1.186 568 Q CA 0.890 56.643 55.803 -0.082 0.000 1.014 568 Q CB -0.573 28.128 28.738 -0.062 0.000 1.130 568 Q HN 0.378 nan 8.270 nan 0.000 0.410 569 G N 3.638 112.423 108.800 -0.025 0.000 2.289 569 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.280 569 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.280 569 G C -0.439 174.477 174.900 0.027 0.000 1.089 569 G CA 0.209 45.312 45.100 0.005 0.000 0.939 569 G HN 0.620 nan 8.290 nan 0.000 0.499 570 Q N -0.947 118.896 119.800 0.071 0.000 2.337 570 Q HA 0.493 4.833 4.340 -0.000 0.000 0.266 570 Q C -0.075 176.024 176.000 0.164 0.000 1.023 570 Q CA -1.004 54.873 55.803 0.123 0.000 0.829 570 Q CB 1.405 30.264 28.738 0.202 0.000 1.306 570 Q HN 0.263 nan 8.270 nan 0.000 0.449 571 Q N 3.458 123.294 119.800 0.060 0.000 2.324 571 Q HA 0.059 4.399 4.340 -0.000 0.000 0.257 571 Q C -0.868 175.057 176.000 -0.126 0.000 1.080 571 Q CA 0.249 56.052 55.803 0.001 0.000 0.907 571 Q CB 0.429 29.156 28.738 -0.018 0.000 1.274 571 Q HN 0.326 nan 8.270 nan 0.000 0.434 572 K N 4.267 124.515 120.400 -0.253 0.000 2.511 572 K HA -0.013 4.306 4.320 -0.000 0.000 0.280 572 K C -0.520 175.830 176.600 -0.417 0.000 1.008 572 K CA 0.112 55.913 56.287 -0.809 0.000 1.050 572 K CB 0.429 32.522 32.500 -0.678 0.000 0.889 572 K HN 0.652 nan 8.250 nan 0.000 0.484 573 R N 4.255 124.512 120.500 -0.405 0.000 2.594 573 R HA 0.154 4.494 4.340 -0.000 0.000 0.272 573 R C -2.109 174.175 176.300 -0.027 0.000 1.074 573 R CA -1.432 54.579 56.100 -0.147 0.000 1.105 573 R CB 0.278 30.537 30.300 -0.068 0.000 1.008 573 R HN 0.521 nan 8.270 nan 0.000 0.472 574 P HA -0.031 nan 4.420 nan 0.000 0.272 574 P C 0.004 177.322 177.300 0.031 0.000 1.240 574 P CA -0.235 62.878 63.100 0.022 0.000 0.791 574 P CB 0.384 32.072 31.700 -0.020 0.000 0.978 575 F N 1.854 121.730 119.950 -0.124 0.000 2.065 575 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 575 F C 1.634 177.119 175.800 -0.524 0.000 1.112 575 F CA 1.947 59.776 58.000 -0.285 0.000 1.212 575 F CB -0.605 38.313 39.000 -0.136 0.000 0.975 575 F HN 0.323 nan 8.300 nan 0.000 0.476 576 E N -0.029 120.013 120.200 -0.264 0.000 2.463 576 E HA -0.136 4.214 4.350 -0.000 0.000 0.201 576 E C 1.247 177.542 176.600 -0.508 0.000 1.045 576 E CA 1.064 57.224 56.400 -0.401 0.000 0.872 576 E CB -0.283 29.323 29.700 -0.157 0.000 0.797 576 E HN 0.581 nan 8.360 nan 0.000 0.538 577 E N -0.704 119.218 120.200 -0.464 0.000 2.603 577 E HA 0.094 4.444 4.350 -0.000 0.000 0.211 577 E C -0.453 175.929 176.600 -0.363 0.000 0.995 577 E CA -0.119 56.062 56.400 -0.366 0.000 0.990 577 E CB 0.329 29.927 29.700 -0.170 0.000 1.036 577 E HN 0.402 nan 8.360 nan 0.000 0.475 578 H N -4.346 114.403 119.070 -0.535 0.000 2.985 578 H HA 0.309 4.865 4.556 -0.000 0.000 0.360 578 H C -0.671 174.238 175.328 -0.700 0.000 1.221 578 H CA -1.200 54.593 56.048 -0.426 0.000 1.121 578 H CB 0.117 29.753 29.762 -0.209 0.000 1.854 578 H HN -0.066 nan 8.280 nan 0.000 0.551 579 W N -0.056 121.248 121.300 0.007 0.000 3.220 579 W HA 0.304 4.964 4.660 -0.000 0.000 0.328 579 W C 0.735 177.282 176.519 0.046 0.000 1.205 579 W CA -0.495 56.797 57.345 -0.089 0.000 1.773 579 W CB 0.649 30.091 29.460 -0.030 0.000 1.086 579 W HN 0.419 nan 8.180 nan 0.000 0.622 580 R N 3.361 124.124 120.500 0.440 0.000 3.206 580 R HA 0.049 4.389 4.340 -0.000 0.000 0.209 580 R C -0.239 176.176 176.300 0.191 0.000 1.632 580 R CA 0.584 56.856 56.100 0.286 0.000 1.234 580 R CB -0.998 29.430 30.300 0.214 0.000 1.270 580 R HN 0.063 nan 8.270 nan 0.000 0.665 581 K N 0.601 121.055 120.400 0.091 0.000 2.597 581 K HA 0.249 4.569 4.320 -0.000 0.000 0.282 581 K C -1.334 175.361 176.600 0.158 0.000 0.975 581 K CA -1.085 55.241 56.287 0.065 0.000 0.867 581 K CB 0.866 33.315 32.500 -0.085 0.000 1.465 581 K HN 0.123 nan 8.250 nan 0.000 0.417 582 H N 1.009 120.246 119.070 0.278 0.000 2.610 582 H HA 0.180 4.736 4.556 -0.000 0.000 0.336 582 H C -0.264 175.232 175.328 0.280 0.000 1.087 582 H CA -0.058 56.128 56.048 0.230 0.000 1.405 582 H CB 1.399 31.221 29.762 0.100 0.000 1.460 582 H HN 0.506 nan 8.280 nan 0.000 0.538 583 T N 4.574 119.361 114.554 0.387 0.000 2.869 583 T HA 0.315 4.665 4.350 -0.000 0.000 0.295 583 T C 0.755 175.430 174.700 -0.041 0.000 0.987 583 T CA -0.513 61.639 62.100 0.086 0.000 1.109 583 T CB 0.350 69.322 68.868 0.173 0.000 0.932 583 T HN 0.258 nan 8.240 nan 0.000 0.518 584 L N 3.579 124.679 121.223 -0.205 0.000 2.342 584 L HA 0.437 4.777 4.340 -0.000 0.000 0.276 584 L C 0.417 177.180 176.870 -0.177 0.000 0.997 584 L CA -0.769 53.970 54.840 -0.169 0.000 0.838 584 L CB 1.439 43.446 42.059 -0.086 0.000 1.224 584 L HN 0.699 nan 8.230 nan 0.000 0.416 585 S N 1.646 117.210 115.700 -0.227 0.000 2.608 585 S HA 0.784 5.254 4.470 -0.000 0.000 0.291 585 S C -0.962 173.454 174.600 -0.307 0.000 1.146 585 S CA -0.624 57.483 58.200 -0.154 0.000 1.043 585 S CB 1.548 64.680 63.200 -0.114 0.000 1.037 585 S HN 0.341 nan 8.310 nan 0.000 0.520 586 Y N -0.498 119.737 120.300 -0.108 0.000 2.581 586 Y HA 0.707 5.257 4.550 -0.000 0.000 0.345 586 Y C -0.559 175.255 175.900 -0.142 0.000 1.036 586 Y CA -1.085 56.951 58.100 -0.105 0.000 1.042 586 Y CB 2.269 40.678 38.460 -0.085 0.000 1.289 586 Y HN 0.611 nan 8.280 nan 0.000 0.471 587 V N 1.037 120.966 119.914 0.024 0.000 2.733 587 V HA 0.204 4.324 4.120 -0.000 0.000 0.306 587 V C -1.333 174.721 176.094 -0.066 0.000 1.084 587 V CA -1.072 61.170 62.300 -0.095 0.000 0.905 587 V CB 2.104 33.823 31.823 -0.173 0.000 1.010 587 V HN 0.775 nan 8.190 nan 0.000 0.424 588 D N 3.006 123.347 120.400 -0.098 0.000 2.352 588 D HA 0.314 4.954 4.640 -0.000 0.000 0.245 588 D C 1.000 177.268 176.300 -0.053 0.000 1.224 588 D CA -0.174 53.790 54.000 -0.060 0.000 0.879 588 D CB 1.568 42.328 40.800 -0.067 0.000 1.057 588 D HN 0.249 nan 8.370 nan 0.000 0.491 589 V N 4.393 124.307 119.914 0.001 0.000 2.231 589 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 589 V C 2.401 178.579 176.094 0.139 0.000 1.054 589 V CA 1.702 64.048 62.300 0.076 0.000 1.015 589 V CB -0.764 31.100 31.823 0.069 0.000 0.638 589 V HN 0.575 nan 8.190 nan 0.000 0.444 590 K N 1.074 121.521 120.400 0.078 0.000 2.032 590 K HA -0.251 4.069 4.320 -0.000 0.000 0.218 590 K C 2.471 179.142 176.600 0.118 0.000 1.054 590 K CA 2.543 58.877 56.287 0.079 0.000 0.941 590 K CB -0.516 32.004 32.500 0.033 0.000 0.720 590 K HN 0.714 nan 8.250 nan 0.000 0.449 591 S N -2.019 113.716 115.700 0.059 0.000 2.406 591 S HA 0.108 4.578 4.470 -0.000 0.000 0.224 591 S C 1.447 176.043 174.600 -0.007 0.000 1.030 591 S CA 0.559 58.783 58.200 0.041 0.000 0.958 591 S CB 0.370 63.559 63.200 -0.018 0.000 0.811 591 S HN 0.503 nan 8.310 nan 0.000 0.489 592 G N 1.290 109.959 108.800 -0.217 0.000 2.140 592 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.211 592 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.211 592 G C -0.197 174.418 174.900 -0.475 0.000 1.013 592 G CA 0.054 44.726 45.100 -0.713 0.000 0.705 592 G HN 0.679 nan 8.290 nan 0.000 0.508 593 K N 0.854 121.070 120.400 -0.306 0.000 2.258 593 K HA 0.539 4.858 4.320 -0.000 0.000 0.284 593 K C 0.314 176.718 176.600 -0.327 0.000 1.051 593 K CA -0.508 55.609 56.287 -0.283 0.000 0.923 593 K CB 0.921 33.325 32.500 -0.160 0.000 1.046 593 K HN 0.025 nan 8.250 nan 0.000 0.474 594 V N 3.847 123.472 119.914 -0.482 0.000 2.465 594 V HA 0.214 4.334 4.120 -0.000 0.000 0.279 594 V C -0.033 175.939 176.094 -0.203 0.000 1.045 594 V CA -0.436 61.621 62.300 -0.404 0.000 0.938 594 V CB 1.550 32.971 31.823 -0.669 0.000 0.986 594 V HN 0.808 nan 8.190 nan 0.000 0.467 595 T N 6.633 121.146 114.554 -0.069 0.000 2.812 595 T HA 0.671 5.021 4.350 -0.000 0.000 0.282 595 T C -0.452 174.308 174.700 0.100 0.000 0.990 595 T CA -0.332 61.770 62.100 0.004 0.000 0.960 595 T CB 0.988 69.835 68.868 -0.034 0.000 0.948 595 T HN 0.356 nan 8.240 nan 0.000 0.438 596 L N 2.889 124.151 121.223 0.065 0.000 2.319 596 L HA 0.743 5.083 4.340 -0.000 0.000 0.267 596 L C 0.051 176.912 176.870 -0.014 0.000 1.011 596 L CA -1.069 53.780 54.840 0.015 0.000 0.818 596 L CB 1.787 43.840 42.059 -0.010 0.000 1.316 596 L HN 0.445 nan 8.230 nan 0.000 0.432 597 K N 0.784 121.079 120.400 -0.174 0.000 2.533 597 K HA 0.611 4.931 4.320 -0.000 0.000 0.284 597 K C -1.956 174.379 176.600 -0.441 0.000 1.025 597 K CA -0.966 55.274 56.287 -0.077 0.000 0.900 597 K CB 2.519 35.112 32.500 0.156 0.000 1.519 597 K HN 0.234 nan 8.250 nan 0.000 0.432 598 Y N 0.266 120.709 120.300 0.237 0.000 2.553 598 Y HA 0.457 5.007 4.550 -0.000 0.000 0.347 598 Y C -0.429 175.652 175.900 0.303 0.000 1.019 598 Y CA -1.031 57.210 58.100 0.235 0.000 1.032 598 Y CB 2.139 40.646 38.460 0.078 0.000 1.284 598 Y HN 0.496 nan 8.280 nan 0.000 0.466 599 R N 0.646 121.343 120.500 0.329 0.000 2.807 599 R HA 0.746 5.086 4.340 -0.000 0.000 0.276 599 R C -3.386 173.114 176.300 0.333 0.000 0.979 599 R CA -2.317 53.791 56.100 0.014 0.000 0.928 599 R CB 1.876 31.822 30.300 -0.591 0.000 1.191 599 R HN 0.217 nan 8.270 nan 0.000 0.471 600 P HA -0.012 nan 4.420 nan 0.000 0.269 600 P C -0.617 176.815 177.300 0.221 0.000 1.215 600 P CA -0.421 62.845 63.100 0.276 0.000 0.780 600 P CB 0.603 32.356 31.700 0.089 0.000 0.898 601 V N 4.467 124.471 119.914 0.150 0.000 2.461 601 V HA 0.138 4.258 4.120 -0.000 0.000 0.275 601 V C 0.682 176.875 176.094 0.165 0.000 1.047 601 V CA -0.274 62.066 62.300 0.067 0.000 0.955 601 V CB 0.268 32.064 31.823 -0.045 0.000 0.988 601 V HN 0.386 nan 8.190 nan 0.000 0.471 602 I N 4.975 125.669 120.570 0.206 0.000 2.483 602 I HA 0.059 4.229 4.170 -0.000 0.000 0.291 602 I C 0.917 177.139 176.117 0.176 0.000 1.112 602 I CA 0.224 61.629 61.300 0.176 0.000 1.350 602 I CB 0.209 38.311 38.000 0.169 0.000 1.419 602 I HN 0.657 nan 8.210 nan 0.000 0.523 603 D N 5.533 126.036 120.400 0.172 0.000 2.346 603 D HA -0.008 4.632 4.640 -0.000 0.000 0.206 603 D C 1.068 177.486 176.300 0.197 0.000 1.001 603 D CA 0.229 54.344 54.000 0.192 0.000 0.871 603 D CB 0.341 41.252 40.800 0.185 0.000 0.943 603 D HN 0.562 nan 8.370 nan 0.000 0.518 604 R N 1.482 122.082 120.500 0.167 0.000 2.582 604 R HA 0.225 4.565 4.340 -0.000 0.000 0.271 604 R C 0.535 176.940 176.300 0.175 0.000 1.078 604 R CA -0.145 56.048 56.100 0.155 0.000 1.127 604 R CB 0.567 30.938 30.300 0.118 0.000 1.038 604 R HN -0.152 nan 8.270 nan 0.000 0.500 605 T N -0.472 114.188 114.554 0.177 0.000 2.891 605 T HA 0.214 4.564 4.350 -0.000 0.000 0.294 605 T C 1.335 176.121 174.700 0.143 0.000 1.065 605 T CA -0.874 61.358 62.100 0.219 0.000 0.936 605 T CB 0.454 69.433 68.868 0.184 0.000 1.415 605 T HN 0.595 nan 8.240 nan 0.000 0.572 606 L N 0.307 121.628 121.223 0.163 0.000 2.558 606 L HA 0.355 4.695 4.340 -0.000 0.000 0.225 606 L C 0.625 177.516 176.870 0.034 0.000 1.128 606 L CA 0.253 55.029 54.840 -0.107 0.000 0.868 606 L CB -0.333 41.403 42.059 -0.540 0.000 1.006 606 L HN 0.671 nan 8.230 nan 0.000 0.454 607 N N -0.537 118.263 118.700 0.168 0.000 3.193 607 N HA -0.025 4.715 4.740 -0.000 0.000 0.234 607 N C 0.204 175.775 175.510 0.101 0.000 1.267 607 N CA -0.103 53.023 53.050 0.126 0.000 0.875 607 N CB 0.867 39.446 38.487 0.152 0.000 1.592 607 N HN -0.077 nan 8.380 nan 0.000 0.648 608 E N 2.084 122.322 120.200 0.063 0.000 2.153 608 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 608 E C 0.681 177.286 176.600 0.009 0.000 0.988 608 E CA 1.790 58.210 56.400 0.034 0.000 0.811 608 E CB 0.321 30.044 29.700 0.039 0.000 0.746 608 E HN 0.631 nan 8.360 nan 0.000 0.466 609 E N 0.219 120.431 120.200 0.021 0.000 2.110 609 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 609 E C 1.544 178.142 176.600 -0.004 0.000 0.988 609 E CA 1.438 57.843 56.400 0.008 0.000 0.804 609 E CB -0.238 29.473 29.700 0.018 0.000 0.745 609 E HN 0.299 nan 8.360 nan 0.000 0.458 610 D N -1.422 118.992 120.400 0.023 0.000 2.213 610 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 610 D C -0.472 175.759 176.300 -0.114 0.000 0.961 610 D CA 0.418 54.432 54.000 0.024 0.000 0.853 610 D CB 0.383 41.280 40.800 0.162 0.000 0.967 610 D HN 0.125 nan 8.370 nan 0.000 0.496 611 C N 0.715 119.908 119.300 -0.179 0.000 2.599 611 C HA 0.536 4.996 4.460 -0.000 0.000 0.354 611 C C -0.770 174.071 174.990 -0.249 0.000 1.092 611 C CA -0.687 58.085 59.018 -0.410 0.000 1.280 611 C CB 0.233 27.435 27.740 -0.895 0.000 1.829 611 C HN 0.118 nan 8.230 nan 0.000 0.454 612 S N 3.318 118.941 115.700 -0.129 0.000 2.548 612 S HA 0.332 4.802 4.470 -0.000 0.000 0.277 612 S C 0.245 174.924 174.600 0.133 0.000 1.315 612 S CA -0.051 58.147 58.200 -0.004 0.000 1.050 612 S CB 1.398 64.591 63.200 -0.011 0.000 0.918 612 S HN 0.988 nan 8.310 nan 0.000 0.497 613 S N 2.151 117.948 115.700 0.161 0.000 2.568 613 S HA 0.222 4.692 4.470 -0.000 0.000 0.282 613 S C -0.329 174.446 174.600 0.291 0.000 1.338 613 S CA -0.549 57.815 58.200 0.272 0.000 1.045 613 S CB 0.067 63.386 63.200 0.199 0.000 0.873 613 S HN 0.486 nan 8.310 nan 0.000 0.516 614 V N 7.578 127.719 119.914 0.379 0.000 2.378 614 V HA 0.458 4.578 4.120 -0.000 0.000 0.288 614 V C -1.950 174.367 176.094 0.372 0.000 1.016 614 V CA -1.764 60.764 62.300 0.380 0.000 0.840 614 V CB 1.408 33.516 31.823 0.474 0.000 0.994 614 V HN 0.833 nan 8.190 nan 0.000 0.431 615 P HA 0.284 nan 4.420 nan 0.000 0.275 615 P C -2.736 174.090 177.300 -0.790 0.000 1.228 615 P CA -1.583 61.395 63.100 -0.205 0.000 0.786 615 P CB 0.485 32.094 31.700 -0.152 0.000 0.927 616 P HA 0.171 nan 4.420 nan 0.000 0.270 616 P C -0.445 175.820 177.300 -1.726 0.000 1.216 616 P CA 0.702 62.289 63.100 -2.522 0.000 0.788 616 P CB 0.162 30.771 31.700 -1.819 0.000 0.883 617 A N 0.870 122.783 122.820 -1.512 0.000 2.483 617 A HA 0.488 4.808 4.320 -0.000 0.000 0.294 617 A C -1.313 176.076 177.584 -0.326 0.000 1.077 617 A CA -0.546 51.124 52.037 -0.612 0.000 0.633 617 A CB 0.428 19.199 19.000 -0.383 0.000 1.318 617 A HN 0.306 nan 8.150 nan 0.000 0.455 618 I N 0.825 121.338 120.570 -0.095 0.000 2.692 618 I HA 0.263 4.433 4.170 -0.000 0.000 0.284 618 I C 0.925 177.079 176.117 0.061 0.000 1.159 618 I CA 0.520 61.824 61.300 0.006 0.000 1.423 618 I CB 0.588 38.599 38.000 0.018 0.000 1.380 618 I HN 0.707 nan 8.210 nan 0.000 0.580 619 R N 4.906 125.469 120.500 0.104 0.000 2.335 619 R HA 0.423 4.763 4.340 -0.000 0.000 0.302 619 R C -0.985 175.310 176.300 -0.008 0.000 1.147 619 R CA -0.171 55.982 56.100 0.089 0.000 1.111 619 R CB 0.523 30.954 30.300 0.218 0.000 1.122 619 R HN 0.829 nan 8.270 nan 0.000 0.557 620 S N 2.117 117.738 115.700 -0.132 0.000 2.570 620 S HA 0.567 5.037 4.470 -0.000 0.000 0.286 620 S C -1.039 173.386 174.600 -0.292 0.000 1.099 620 S CA -0.756 57.389 58.200 -0.093 0.000 0.913 620 S CB 1.322 64.529 63.200 0.011 0.000 1.085 620 S HN 0.402 nan 8.310 nan 0.000 0.480 621 Y N 0.000 120.348 120.300 0.079 0.000 2.660 621 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 621 Y CA 0.000 58.139 58.100 0.065 0.000 1.940 621 Y CB 0.000 38.491 38.460 0.051 0.000 1.050 621 Y HN 0.000 nan 8.280 nan 0.000 0.758