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 3oeh_1_E DATA FIRST_RESID 8 DATA SEQUENCE PITGKVTAVI GAIVDVHFEQ SELPAILNAL EIKTPQGKLV LEVAQHLGEN DATA SEQUENCE TVRTIAMDGT EGLVRGEKVL DTGGPISVPV GRETLGRIIN VIGEPIDERG DATA SEQUENCE PIKSKLRKPI HADPPSFAEQ STSAEILETG IKVVDLLAPY ARGGKIGLFG DATA SEQUENCE GAGVGKTVFI QELINNIAKA HGGFSVFTGV GERTREGNDL YREMKETGVI DATA SEQUENCE NLEGESKVAL VFGQMNEPPG ARARVALTGL TIAEYFRDEE GQDVLLFIDN DATA SEQUENCE IFRFTQAGSE VSALLGRIPS AFGYQPTLAT DMGLLQERIT TTKKGSVTSV DATA SEQUENCE QAVYVPADDL TDPAPATTFA HLDATTVLSR GISELGIYPA VDPLDSKSRL DATA SEQUENCE LDAAVVGQEH YDVASKVQET LQTYKSLQDI IAILGMDELS EQDKLTVERA DATA SEQUENCE RKIQRFLSQP FAVAEVFTGI PGKLVRLKDT VASFKAVLEG KYDNIPEHAF DATA SEQUENCE YMVGGIEDVV AKAEKLAA 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 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.335 177.300 0.058 0.000 1.155 8 P CA 0.000 63.122 63.100 0.036 0.000 0.800 8 P CB 0.000 31.717 31.700 0.029 0.000 0.726 9 I N 1.058 121.673 120.570 0.075 0.000 2.363 9 I HA 0.193 4.362 4.170 -0.001 0.000 0.292 9 I C 0.299 176.553 176.117 0.229 0.000 1.075 9 I CA 0.564 61.944 61.300 0.133 0.000 1.333 9 I CB 0.977 39.030 38.000 0.088 0.000 1.415 9 I HN 0.213 nan 8.210 nan 0.000 0.502 10 T N 4.778 119.451 114.554 0.198 0.000 2.902 10 T HA 0.669 5.018 4.350 -0.001 0.000 0.283 10 T C 0.275 174.954 174.700 -0.036 0.000 1.009 10 T CA -0.466 61.699 62.100 0.108 0.000 1.051 10 T CB 1.755 70.639 68.868 0.028 0.000 0.999 10 T HN 0.804 nan 8.240 nan 0.000 0.474 11 G N 1.335 109.901 108.800 -0.390 0.000 3.022 11 G HA2 0.725 4.684 3.960 -0.001 0.000 0.284 11 G HA3 0.725 4.684 3.960 -0.001 0.000 0.284 11 G C -1.672 172.967 174.900 -0.435 0.000 1.375 11 G CA -0.724 43.841 45.100 -0.893 0.000 0.902 11 G HN 0.547 nan 8.290 nan 0.000 0.538 12 K N 0.130 120.308 120.400 -0.371 0.000 2.507 12 K HA 0.432 4.751 4.320 -0.001 0.000 0.251 12 K C -0.842 175.680 176.600 -0.129 0.000 0.943 12 K CA -0.657 55.520 56.287 -0.184 0.000 0.794 12 K CB 2.841 35.258 32.500 -0.138 0.000 1.188 12 K HN 0.264 nan 8.250 nan 0.000 0.428 13 V N 3.257 123.117 119.914 -0.089 0.000 2.509 13 V HA -0.074 4.046 4.120 -0.001 0.000 0.297 13 V C 1.371 177.445 176.094 -0.033 0.000 1.014 13 V CA 0.983 63.255 62.300 -0.047 0.000 1.127 13 V CB 0.412 32.215 31.823 -0.033 0.000 0.925 13 V HN 1.011 nan 8.190 nan 0.000 0.480 14 T N 1.156 115.703 114.554 -0.011 0.000 2.985 14 T HA 0.603 4.952 4.350 -0.001 0.000 0.254 14 T C 0.324 175.025 174.700 0.002 0.000 1.021 14 T CA 0.446 62.545 62.100 -0.002 0.000 0.957 14 T CB 0.596 69.480 68.868 0.027 0.000 1.047 14 T HN 0.997 nan 8.240 nan 0.000 0.511 15 A N 0.583 123.406 122.820 0.005 0.000 2.547 15 A HA 0.699 5.019 4.320 -0.001 0.000 0.297 15 A C -1.586 176.001 177.584 0.004 0.000 1.056 15 A CA -0.698 51.343 52.037 0.005 0.000 0.688 15 A CB 1.847 20.854 19.000 0.012 0.000 1.282 15 A HN 0.296 nan 8.150 nan 0.000 0.400 16 V N 2.665 122.579 119.914 0.001 0.000 2.524 16 V HA 0.552 4.672 4.120 -0.001 0.000 0.297 16 V C -0.885 175.209 176.094 -0.000 0.000 1.035 16 V CA -0.070 62.230 62.300 0.001 0.000 0.867 16 V CB 1.353 33.175 31.823 -0.002 0.000 1.004 16 V HN 0.734 nan 8.190 nan 0.000 0.426 17 I N 3.963 124.533 120.570 0.000 0.000 2.529 17 I HA 0.602 4.772 4.170 -0.001 0.000 0.284 17 I C 1.045 177.160 176.117 -0.003 0.000 1.088 17 I CA -0.019 61.279 61.300 -0.002 0.000 1.062 17 I CB 1.762 39.761 38.000 -0.002 0.000 1.218 17 I HN 0.821 nan 8.210 nan 0.000 0.442 18 G N 4.715 113.512 108.800 -0.005 0.000 2.684 18 G HA2 -0.390 3.570 3.960 -0.001 0.000 0.332 18 G HA3 -0.390 3.570 3.960 -0.001 0.000 0.332 18 G C 0.928 175.825 174.900 -0.004 0.000 1.306 18 G CA 0.784 45.881 45.100 -0.006 0.000 1.002 18 G HN 0.912 nan 8.290 nan 0.000 0.545 19 A N -0.624 122.193 122.820 -0.005 0.000 2.251 19 A HA 0.528 4.847 4.320 -0.001 0.000 0.209 19 A C 0.940 178.525 177.584 0.002 0.000 1.187 19 A CA 0.542 52.578 52.037 -0.003 0.000 0.823 19 A CB -0.048 18.948 19.000 -0.006 0.000 0.846 19 A HN 0.517 nan 8.150 nan 0.000 0.486 20 I N 1.412 121.983 120.570 0.002 0.000 2.304 20 I HA 0.292 4.461 4.170 -0.001 0.000 0.291 20 I C -0.611 175.513 176.117 0.011 0.000 1.018 20 I CA -0.309 60.995 61.300 0.006 0.000 1.260 20 I CB 0.918 38.920 38.000 0.004 0.000 1.390 20 I HN -0.141 nan 8.210 nan 0.000 0.475 21 V N 6.076 126.001 119.914 0.018 0.000 2.540 21 V HA 0.373 4.493 4.120 -0.001 0.000 0.302 21 V C -0.511 175.602 176.094 0.031 0.000 1.035 21 V CA -0.789 61.523 62.300 0.020 0.000 0.873 21 V CB 2.333 34.169 31.823 0.021 0.000 0.992 21 V HN 0.566 nan 8.190 nan 0.000 0.428 22 D N 2.877 123.294 120.400 0.028 0.000 2.163 22 D HA 0.687 5.326 4.640 -0.001 0.000 0.248 22 D C -0.652 175.669 176.300 0.035 0.000 1.035 22 D CA -0.056 53.967 54.000 0.039 0.000 0.872 22 D CB 2.164 42.985 40.800 0.035 0.000 1.183 22 D HN 0.267 nan 8.370 nan 0.000 0.445 23 V N 2.179 122.124 119.914 0.052 0.000 2.686 23 V HA 0.177 4.297 4.120 -0.001 0.000 0.306 23 V C -0.551 175.546 176.094 0.005 0.000 1.065 23 V CA -0.857 61.447 62.300 0.006 0.000 0.894 23 V CB 2.152 33.975 31.823 -0.000 0.000 1.004 23 V HN 0.576 nan 8.190 nan 0.000 0.424 24 H N 3.547 122.511 119.070 -0.177 0.000 2.487 24 H HA 0.666 5.221 4.556 -0.001 0.000 0.333 24 H C -1.653 173.468 175.328 -0.345 0.000 1.114 24 H CA -0.076 55.889 56.048 -0.138 0.000 1.310 24 H CB 1.391 31.088 29.762 -0.107 0.000 1.462 24 H HN 0.501 nan 8.280 nan 0.000 0.516 25 F N 0.957 120.815 119.950 -0.155 0.000 2.664 25 F HA 0.171 4.697 4.527 -0.001 0.000 0.317 25 F C 0.117 175.900 175.800 -0.028 0.000 1.108 25 F CA -1.004 56.979 58.000 -0.028 0.000 0.957 25 F CB 1.375 40.315 39.000 -0.099 0.000 1.365 25 F HN 0.402 nan 8.300 nan 0.000 0.475 26 E N 1.001 121.353 120.200 0.252 0.000 2.366 26 E HA 0.045 4.394 4.350 -0.001 0.000 0.266 26 E C -0.400 176.242 176.600 0.070 0.000 1.051 26 E CA -0.442 56.045 56.400 0.146 0.000 0.884 26 E CB 0.811 30.581 29.700 0.117 0.000 1.006 26 E HN 0.488 nan 8.360 nan 0.000 0.417 27 Q N 1.225 121.048 119.800 0.039 0.000 2.618 27 Q HA -0.170 4.169 4.340 -0.001 0.000 0.344 27 Q C -0.496 175.497 176.000 -0.011 0.000 1.073 27 Q CA 1.101 56.905 55.803 0.001 0.000 1.105 27 Q CB -0.057 28.687 28.738 0.011 0.000 1.028 27 Q HN 0.639 nan 8.270 nan 0.000 0.397 28 S N 2.626 118.301 115.700 -0.043 0.000 3.018 28 S HA -0.172 4.297 4.470 -0.001 0.000 0.274 28 S C 0.154 174.717 174.600 -0.063 0.000 1.300 28 S CA 1.397 59.568 58.200 -0.049 0.000 1.179 28 S CB -0.854 62.331 63.200 -0.025 0.000 1.427 28 S HN 0.886 nan 8.310 nan 0.000 0.668 29 E N 0.158 120.318 120.200 -0.068 0.000 2.465 29 E HA 0.252 4.601 4.350 -0.001 0.000 0.195 29 E C 0.031 176.464 176.600 -0.279 0.000 1.028 29 E CA -0.155 56.189 56.400 -0.093 0.000 0.899 29 E CB 0.254 29.962 29.700 0.014 0.000 1.032 29 E HN 0.513 nan 8.360 nan 0.000 0.468 30 L N 3.587 124.624 121.223 -0.311 0.000 2.410 30 L HA 0.138 4.478 4.340 -0.001 0.000 0.273 30 L C -1.884 174.718 176.870 -0.447 0.000 1.152 30 L CA -1.628 52.898 54.840 -0.523 0.000 0.855 30 L CB 0.043 41.806 42.059 -0.494 0.000 1.129 30 L HN -0.107 nan 8.230 nan 0.000 0.463 31 P HA 0.148 nan 4.420 nan 0.000 0.276 31 P C -0.530 176.754 177.300 -0.026 0.000 1.235 31 P CA -0.453 62.480 63.100 -0.277 0.000 0.772 31 P CB 1.047 32.566 31.700 -0.303 0.000 0.871 32 A N 4.676 127.497 122.820 0.001 0.000 2.492 32 A HA 0.111 4.430 4.320 -0.001 0.000 0.236 32 A C 0.790 178.378 177.584 0.007 0.000 1.078 32 A CA -0.302 51.757 52.037 0.036 0.000 0.773 32 A CB -0.466 18.522 19.000 -0.021 0.000 1.023 32 A HN 0.566 nan 8.150 nan 0.000 0.504 33 I N 1.127 121.633 120.570 -0.107 0.000 2.683 33 I HA -0.011 4.158 4.170 -0.001 0.000 0.286 33 I C 0.689 176.736 176.117 -0.116 0.000 1.175 33 I CA 0.757 61.977 61.300 -0.134 0.000 1.429 33 I CB 0.048 37.912 38.000 -0.228 0.000 1.371 33 I HN 0.763 nan 8.210 nan 0.000 0.569 34 L N 2.423 123.587 121.223 -0.097 0.000 3.853 34 L HA -0.222 4.117 4.340 -0.001 0.000 0.416 34 L C 0.241 177.100 176.870 -0.018 0.000 0.766 34 L CA 0.060 54.826 54.840 -0.124 0.000 2.383 34 L CB -1.419 40.443 42.059 -0.329 0.000 1.276 34 L HN 0.664 nan 8.230 nan 0.000 0.597 35 N N 1.351 120.045 118.700 -0.009 0.000 2.454 35 N HA 0.443 5.182 4.740 -0.001 0.000 0.254 35 N C 0.347 175.878 175.510 0.036 0.000 1.228 35 N CA 0.976 54.034 53.050 0.013 0.000 0.900 35 N CB 0.759 39.240 38.487 -0.011 0.000 1.089 35 N HN 0.320 nan 8.380 nan 0.000 0.449 36 A N 2.379 125.225 122.820 0.044 0.000 2.354 36 A HA 0.534 4.853 4.320 -0.001 0.000 0.269 36 A C -0.285 177.332 177.584 0.054 0.000 1.109 36 A CA -0.323 51.744 52.037 0.050 0.000 0.800 36 A CB 0.116 19.142 19.000 0.043 0.000 1.045 36 A HN 0.621 nan 8.150 nan 0.000 0.489 37 L N 1.095 122.359 121.223 0.068 0.000 2.323 37 L HA 0.619 4.959 4.340 -0.001 0.000 0.265 37 L C -0.146 176.765 176.870 0.067 0.000 1.012 37 L CA -0.544 54.350 54.840 0.091 0.000 0.820 37 L CB 2.062 44.201 42.059 0.133 0.000 1.334 37 L HN 0.751 nan 8.230 nan 0.000 0.427 38 E N 1.811 122.050 120.200 0.065 0.000 2.246 38 E HA 0.534 4.884 4.350 -0.001 0.000 0.266 38 E C -1.414 175.206 176.600 0.034 0.000 0.880 38 E CA -0.469 55.956 56.400 0.042 0.000 0.762 38 E CB 2.991 32.711 29.700 0.034 0.000 1.180 38 E HN 0.367 nan 8.360 nan 0.000 0.416 39 I N 2.583 123.167 120.570 0.023 0.000 2.377 39 I HA 0.265 4.435 4.170 -0.001 0.000 0.293 39 I C -0.060 176.062 176.117 0.009 0.000 0.987 39 I CA -0.683 60.625 61.300 0.012 0.000 1.185 39 I CB 1.342 39.346 38.000 0.007 0.000 1.341 39 I HN 0.180 nan 8.210 nan 0.000 0.455 40 K N 4.689 125.093 120.400 0.006 0.000 2.285 40 K HA 0.271 4.590 4.320 -0.001 0.000 0.286 40 K C 0.073 176.674 176.600 0.001 0.000 1.072 40 K CA -0.263 56.026 56.287 0.004 0.000 0.913 40 K CB 0.755 33.257 32.500 0.004 0.000 1.067 40 K HN 0.724 nan 8.250 nan 0.000 0.479 41 T N 0.322 114.877 114.554 0.002 0.000 2.912 41 T HA 0.352 4.702 4.350 -0.001 0.000 0.280 41 T C -1.761 172.939 174.700 -0.001 0.000 0.989 41 T CA -1.787 60.313 62.100 -0.000 0.000 0.995 41 T CB 1.248 70.116 68.868 0.001 0.000 1.077 41 T HN 0.245 nan 8.240 nan 0.000 0.531 42 P HA -0.046 nan 4.420 nan 0.000 0.222 42 P C 1.813 179.112 177.300 -0.001 0.000 1.153 42 P CA 0.642 63.740 63.100 -0.002 0.000 0.798 42 P CB -0.046 31.652 31.700 -0.003 0.000 0.796 43 Q N 0.162 119.961 119.800 -0.001 0.000 2.014 43 Q HA -0.093 4.246 4.340 -0.001 0.000 0.207 43 Q C 1.126 177.126 176.000 -0.000 0.000 0.993 43 Q CA 2.427 58.229 55.803 -0.001 0.000 0.850 43 Q CB -0.651 28.086 28.738 -0.001 0.000 0.916 43 Q HN 0.230 nan 8.270 nan 0.000 0.417 44 G N 0.642 109.442 108.800 0.001 0.000 2.445 44 G HA2 0.111 4.070 3.960 -0.001 0.000 0.104 44 G HA3 0.111 4.070 3.960 -0.001 0.000 0.104 44 G C -1.225 173.676 174.900 0.003 0.000 0.958 44 G CA -0.105 44.996 45.100 0.001 0.000 1.324 44 G HN 0.444 nan 8.290 nan 0.000 0.549 45 K N -0.307 120.096 120.400 0.005 0.000 2.464 45 K HA 0.804 5.123 4.320 -0.001 0.000 0.253 45 K C -1.662 174.943 176.600 0.009 0.000 0.933 45 K CA -0.886 55.405 56.287 0.007 0.000 0.801 45 K CB 2.895 35.400 32.500 0.009 0.000 1.271 45 K HN 0.620 nan 8.250 nan 0.000 0.430 46 L N 2.892 124.121 121.223 0.011 0.000 2.280 46 L HA 0.428 4.767 4.340 -0.001 0.000 0.287 46 L C -1.372 175.510 176.870 0.019 0.000 1.023 46 L CA -0.466 54.382 54.840 0.013 0.000 0.819 46 L CB 1.694 43.759 42.059 0.010 0.000 1.212 46 L HN 0.607 nan 8.230 nan 0.000 0.420 47 V N 6.332 126.258 119.914 0.021 0.000 2.481 47 V HA 0.487 4.606 4.120 -0.001 0.000 0.286 47 V C 0.037 176.150 176.094 0.032 0.000 1.042 47 V CA -0.582 61.735 62.300 0.028 0.000 0.928 47 V CB 1.437 33.275 31.823 0.025 0.000 0.986 47 V HN 0.616 nan 8.190 nan 0.000 0.462 48 L N 3.658 124.906 121.223 0.042 0.000 2.362 48 L HA 0.621 4.961 4.340 -0.001 0.000 0.275 48 L C -0.238 176.664 176.870 0.055 0.000 0.998 48 L CA -0.490 54.378 54.840 0.047 0.000 0.820 48 L CB 2.183 44.274 42.059 0.054 0.000 1.270 48 L HN 0.662 nan 8.230 nan 0.000 0.415 49 E N 2.457 122.688 120.200 0.051 0.000 2.109 49 E HA 0.348 4.697 4.350 -0.001 0.000 0.278 49 E C -0.814 175.813 176.600 0.045 0.000 0.954 49 E CA -0.746 55.687 56.400 0.055 0.000 0.779 49 E CB 1.587 31.329 29.700 0.070 0.000 1.093 49 E HN 0.381 nan 8.360 nan 0.000 0.401 50 V N 3.958 123.899 119.914 0.045 0.000 2.720 50 V HA 0.029 4.148 4.120 -0.001 0.000 0.307 50 V C 0.949 177.047 176.094 0.008 0.000 1.071 50 V CA 1.309 63.636 62.300 0.045 0.000 1.199 50 V CB 0.830 32.684 31.823 0.052 0.000 0.900 50 V HN 0.915 nan 8.190 nan 0.000 0.494 51 A N 3.774 126.602 122.820 0.013 0.000 2.140 51 A HA 0.394 4.713 4.320 -0.001 0.000 0.199 51 A C 0.562 178.128 177.584 -0.030 0.000 1.416 51 A CA 0.063 52.088 52.037 -0.019 0.000 1.018 51 A CB 0.529 19.525 19.000 -0.008 0.000 1.117 51 A HN 0.733 nan 8.150 nan 0.000 0.480 52 Q N -0.605 119.204 119.800 0.015 0.000 2.391 52 Q HA 0.372 4.711 4.340 -0.001 0.000 0.279 52 Q C -1.737 174.360 176.000 0.163 0.000 1.028 52 Q CA -0.484 55.331 55.803 0.019 0.000 0.836 52 Q CB 1.989 30.742 28.738 0.025 0.000 1.414 52 Q HN 0.670 nan 8.270 nan 0.000 0.397 53 H N 2.929 121.987 119.070 -0.020 0.000 2.597 53 H HA 0.241 4.796 4.556 -0.001 0.000 0.303 53 H C 0.495 175.815 175.328 -0.013 0.000 1.057 53 H CA -0.323 55.714 56.048 -0.019 0.000 1.261 53 H CB 0.957 30.701 29.762 -0.031 0.000 1.397 53 H HN 0.430 nan 8.280 nan 0.000 0.461 54 L N 2.806 124.091 121.223 0.104 0.000 2.492 54 L HA 0.197 4.536 4.340 -0.001 0.000 0.223 54 L C 1.130 178.023 176.870 0.037 0.000 1.132 54 L CA 0.403 55.276 54.840 0.055 0.000 0.850 54 L CB 0.021 42.104 42.059 0.041 0.000 0.966 54 L HN 0.881 nan 8.230 nan 0.000 0.454 55 G N 0.156 108.973 108.800 0.028 0.000 2.619 55 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.686 55 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.686 55 G C -0.089 174.801 174.900 -0.017 0.000 1.256 55 G CA -0.582 44.522 45.100 0.007 0.000 0.826 55 G HN 0.265 nan 8.290 nan 0.000 0.619 56 E N 0.153 120.340 120.200 -0.021 0.000 2.297 56 E HA -0.240 4.109 4.350 -0.001 0.000 0.228 56 E C 0.839 177.373 176.600 -0.110 0.000 1.213 56 E CA 0.711 57.098 56.400 -0.020 0.000 0.712 56 E CB -0.954 28.761 29.700 0.025 0.000 1.202 56 E HN 1.079 nan 8.360 nan 0.000 0.376 57 N N -1.326 117.273 118.700 -0.168 0.000 2.693 57 N HA -0.168 4.572 4.740 -0.001 0.000 0.249 57 N C -0.648 174.644 175.510 -0.363 0.000 1.119 57 N CA 1.997 54.865 53.050 -0.303 0.000 0.717 57 N CB -1.291 36.951 38.487 -0.408 0.000 1.071 57 N HN 0.382 nan 8.380 nan 0.000 0.555 58 T N -0.835 113.607 114.554 -0.186 0.000 2.918 58 T HA 0.719 5.068 4.350 -0.001 0.000 0.286 58 T C 0.502 175.199 174.700 -0.004 0.000 1.026 58 T CA -0.731 61.325 62.100 -0.074 0.000 1.031 58 T CB 2.780 71.645 68.868 -0.005 0.000 1.046 58 T HN 0.129 nan 8.240 nan 0.000 0.479 59 V N 0.012 119.967 119.914 0.067 0.000 2.789 59 V HA 0.761 4.880 4.120 -0.001 0.000 0.311 59 V C -0.513 175.639 176.094 0.096 0.000 1.073 59 V CA -1.401 60.964 62.300 0.108 0.000 0.921 59 V CB 1.759 33.672 31.823 0.150 0.000 1.009 59 V HN 0.852 nan 8.190 nan 0.000 0.426 60 R N 2.467 123.019 120.500 0.086 0.000 2.297 60 R HA 0.754 5.093 4.340 -0.001 0.000 0.308 60 R C 0.013 176.349 176.300 0.060 0.000 1.029 60 R CA 0.544 56.680 56.100 0.060 0.000 0.929 60 R CB 1.336 31.661 30.300 0.041 0.000 1.046 60 R HN 1.200 nan 8.270 nan 0.000 0.461 61 T N 1.958 116.542 114.554 0.051 0.000 2.906 61 T HA 0.529 4.879 4.350 -0.001 0.000 0.295 61 T C -0.089 174.629 174.700 0.031 0.000 1.075 61 T CA -1.042 61.086 62.100 0.047 0.000 1.005 61 T CB 1.052 69.958 68.868 0.064 0.000 1.136 61 T HN 0.571 nan 8.240 nan 0.000 0.498 62 I N 0.258 120.844 120.570 0.027 0.000 2.378 62 I HA 0.823 4.992 4.170 -0.001 0.000 0.291 62 I C 0.283 176.412 176.117 0.021 0.000 0.992 62 I CA -1.383 59.927 61.300 0.017 0.000 1.154 62 I CB 1.212 39.218 38.000 0.009 0.000 1.315 62 I HN 0.906 nan 8.210 nan 0.000 0.448 63 A N 6.772 129.601 122.820 0.015 0.000 2.386 63 A HA 0.491 4.810 4.320 -0.001 0.000 0.248 63 A C 0.717 178.309 177.584 0.014 0.000 1.082 63 A CA -0.382 51.664 52.037 0.015 0.000 0.789 63 A CB 0.621 19.628 19.000 0.010 0.000 1.025 63 A HN 0.903 nan 8.150 nan 0.000 0.490 64 M N 0.225 119.835 119.600 0.016 0.000 2.333 64 M HA 0.221 4.701 4.480 -0.001 0.000 0.257 64 M C -0.233 176.074 176.300 0.012 0.000 1.078 64 M CA 0.465 55.774 55.300 0.015 0.000 1.005 64 M CB -0.509 32.103 32.600 0.020 0.000 1.444 64 M HN 0.818 nan 8.290 nan 0.000 0.496 65 D N -0.993 119.413 120.400 0.010 0.000 2.677 65 D HA 0.469 5.108 4.640 -0.001 0.000 0.298 65 D C -0.551 175.751 176.300 0.004 0.000 1.250 65 D CA -0.160 53.844 54.000 0.007 0.000 0.888 65 D CB 1.422 42.227 40.800 0.007 0.000 1.397 65 D HN 0.103 nan 8.370 nan 0.000 0.461 66 G N -0.843 107.959 108.800 0.002 0.000 2.491 66 G HA2 0.357 4.316 3.960 -0.001 0.000 0.238 66 G HA3 0.357 4.316 3.960 -0.001 0.000 0.238 66 G C 0.670 175.570 174.900 0.001 0.000 1.277 66 G CA 0.474 45.574 45.100 -0.000 0.000 0.851 66 G HN 0.402 nan 8.290 nan 0.000 0.573 67 T N -1.546 113.007 114.554 -0.000 0.000 3.214 67 T HA 0.236 4.586 4.350 -0.001 0.000 0.264 67 T C 0.523 175.222 174.700 -0.002 0.000 1.012 67 T CA -0.285 61.815 62.100 -0.000 0.000 0.901 67 T CB 0.035 68.903 68.868 0.000 0.000 1.070 67 T HN 0.657 nan 8.240 nan 0.000 0.561 68 E N 1.021 121.219 120.200 -0.003 0.000 2.316 68 E HA 0.422 4.772 4.350 -0.001 0.000 0.275 68 E C 1.028 177.625 176.600 -0.004 0.000 1.029 68 E CA 0.313 56.710 56.400 -0.004 0.000 0.871 68 E CB 0.251 29.948 29.700 -0.004 0.000 1.022 68 E HN 0.418 nan 8.360 nan 0.000 0.418 69 G N 3.771 112.568 108.800 -0.005 0.000 2.194 69 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.236 69 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.236 69 G C 0.316 175.212 174.900 -0.006 0.000 0.987 69 G CA 0.092 45.189 45.100 -0.006 0.000 0.635 69 G HN 0.523 nan 8.290 nan 0.000 0.520 70 L N 0.533 121.752 121.223 -0.006 0.000 2.479 70 L HA 0.475 4.815 4.340 -0.001 0.000 0.270 70 L C 0.478 177.342 176.870 -0.010 0.000 1.236 70 L CA 0.048 54.884 54.840 -0.008 0.000 0.823 70 L CB 1.055 43.111 42.059 -0.006 0.000 1.098 70 L HN 0.079 nan 8.230 nan 0.000 0.500 71 V N 1.867 121.773 119.914 -0.013 0.000 2.711 71 V HA 0.298 4.417 4.120 -0.001 0.000 0.304 71 V C -0.267 175.814 176.094 -0.021 0.000 1.097 71 V CA -0.931 61.359 62.300 -0.016 0.000 0.906 71 V CB 1.644 33.457 31.823 -0.016 0.000 1.015 71 V HN 0.634 nan 8.190 nan 0.000 0.427 72 R N 2.633 123.121 120.500 -0.021 0.000 2.501 72 R HA 0.355 4.695 4.340 -0.001 0.000 0.319 72 R C 1.327 177.606 176.300 -0.035 0.000 0.913 72 R CA 1.363 57.447 56.100 -0.026 0.000 1.104 72 R CB -0.097 30.189 30.300 -0.024 0.000 0.901 72 R HN 1.283 nan 8.270 nan 0.000 0.407 73 G N 2.217 110.991 108.800 -0.044 0.000 2.255 73 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.196 73 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.196 73 G C 0.068 174.936 174.900 -0.054 0.000 0.998 73 G CA -0.376 44.691 45.100 -0.054 0.000 0.656 73 G HN 0.585 nan 8.290 nan 0.000 0.490 74 E N 1.640 121.814 120.200 -0.044 0.000 2.452 74 E HA 0.299 4.648 4.350 -0.001 0.000 0.261 74 E C 0.478 177.047 176.600 -0.053 0.000 0.987 74 E CA 0.079 56.455 56.400 -0.039 0.000 0.926 74 E CB 0.337 30.021 29.700 -0.028 0.000 0.934 74 E HN 0.328 nan 8.360 nan 0.000 0.452 75 K N 2.014 122.387 120.400 -0.046 0.000 2.326 75 K HA 0.186 4.505 4.320 -0.001 0.000 0.275 75 K C -0.856 175.717 176.600 -0.045 0.000 1.018 75 K CA -0.271 55.983 56.287 -0.055 0.000 0.962 75 K CB 1.118 33.597 32.500 -0.035 0.000 0.953 75 K HN 0.190 nan 8.250 nan 0.000 0.475 76 V N 4.548 124.422 119.914 -0.067 0.000 2.443 76 V HA 0.168 4.288 4.120 -0.001 0.000 0.293 76 V C -0.604 175.522 176.094 0.052 0.000 1.021 76 V CA -0.963 61.326 62.300 -0.018 0.000 0.848 76 V CB 1.351 33.147 31.823 -0.045 0.000 0.998 76 V HN 0.583 nan 8.190 nan 0.000 0.424 77 L N 3.947 125.217 121.223 0.079 0.000 2.326 77 L HA 0.585 4.924 4.340 -0.001 0.000 0.278 77 L C -0.011 176.949 176.870 0.150 0.000 1.092 77 L CA 0.345 55.250 54.840 0.110 0.000 0.810 77 L CB 1.181 43.279 42.059 0.064 0.000 1.153 77 L HN 0.682 nan 8.230 nan 0.000 0.439 78 D N 1.996 122.498 120.400 0.170 0.000 2.295 78 D HA 0.122 4.761 4.640 -0.001 0.000 0.248 78 D C 1.001 177.331 176.300 0.050 0.000 1.154 78 D CA 0.271 54.332 54.000 0.101 0.000 0.857 78 D CB 1.571 42.384 40.800 0.022 0.000 1.117 78 D HN 0.733 nan 8.370 nan 0.000 0.468 79 T N 0.888 115.464 114.554 0.036 0.000 3.118 79 T HA 0.201 4.550 4.350 -0.001 0.000 0.260 79 T C 1.522 176.227 174.700 0.009 0.000 1.139 79 T CA 0.670 62.784 62.100 0.023 0.000 1.085 79 T CB -0.116 68.766 68.868 0.024 0.000 0.934 79 T HN 0.651 nan 8.240 nan 0.000 0.518 80 G N -0.062 108.736 108.800 -0.002 0.000 2.217 80 G HA2 0.082 4.041 3.960 -0.001 0.000 0.246 80 G HA3 0.082 4.041 3.960 -0.001 0.000 0.246 80 G C 0.443 175.336 174.900 -0.010 0.000 0.990 80 G CA -0.278 44.815 45.100 -0.012 0.000 0.627 80 G HN 1.366 nan 8.290 nan 0.000 0.522 81 G N -1.083 107.717 108.800 -0.000 0.000 2.619 81 G HA2 0.725 4.684 3.960 -0.001 0.000 0.305 81 G HA3 0.725 4.684 3.960 -0.001 0.000 0.305 81 G C -3.213 171.703 174.900 0.026 0.000 1.330 81 G CA -0.168 44.937 45.100 0.008 0.000 0.789 81 G HN 0.205 nan 8.290 nan 0.000 0.487 82 P HA 0.258 nan 4.420 nan 0.000 0.272 82 P C 0.219 177.557 177.300 0.063 0.000 1.254 82 P CA -0.368 62.790 63.100 0.097 0.000 0.795 82 P CB 0.484 32.285 31.700 0.168 0.000 1.022 83 I N 0.124 120.734 120.570 0.068 0.000 2.826 83 I HA -0.052 4.117 4.170 -0.001 0.000 0.295 83 I C 0.924 177.039 176.117 -0.003 0.000 1.213 83 I CA 0.872 62.186 61.300 0.023 0.000 1.436 83 I CB -0.270 37.736 38.000 0.010 0.000 1.348 83 I HN 0.330 nan 8.210 nan 0.000 0.570 84 S N 6.393 122.086 115.700 -0.012 0.000 2.537 84 S HA 0.824 5.294 4.470 -0.001 0.000 0.301 84 S C -0.519 174.055 174.600 -0.043 0.000 1.092 84 S CA -0.782 57.400 58.200 -0.031 0.000 1.048 84 S CB 2.108 65.290 63.200 -0.031 0.000 1.053 84 S HN 0.527 nan 8.310 nan 0.000 0.501 85 V N -1.613 118.263 119.914 -0.063 0.000 2.789 85 V HA 0.748 4.867 4.120 -0.001 0.000 0.311 85 V C -2.965 173.069 176.094 -0.100 0.000 1.073 85 V CA -2.874 59.385 62.300 -0.069 0.000 0.921 85 V CB 1.339 33.124 31.823 -0.063 0.000 1.009 85 V HN 0.799 nan 8.190 nan 0.000 0.426 86 P HA 0.181 nan 4.420 nan 0.000 0.266 86 P C -0.175 177.023 177.300 -0.171 0.000 1.193 86 P CA 0.438 63.464 63.100 -0.122 0.000 0.770 86 P CB 1.042 32.695 31.700 -0.079 0.000 0.836 87 V N -1.608 118.142 119.914 -0.273 0.000 3.156 87 V HA 0.966 5.085 4.120 -0.001 0.000 0.311 87 V C 0.226 176.100 176.094 -0.366 0.000 1.208 87 V CA -0.178 61.888 62.300 -0.390 0.000 1.063 87 V CB 0.964 32.377 31.823 -0.684 0.000 1.098 87 V HN 1.002 nan 8.190 nan 0.000 0.452 88 G N 0.661 109.214 108.800 -0.412 0.000 2.698 88 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.225 88 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.225 88 G C 0.107 175.072 174.900 0.107 0.000 1.345 88 G CA 0.515 45.536 45.100 -0.131 0.000 0.871 88 G HN 1.106 nan 8.290 nan 0.000 0.540 89 R N 0.112 120.791 120.500 0.297 0.000 2.127 89 R HA 0.133 4.472 4.340 -0.001 0.000 0.238 89 R C 3.045 179.398 176.300 0.087 0.000 1.134 89 R CA 2.730 58.978 56.100 0.247 0.000 0.975 89 R CB -0.473 29.941 30.300 0.191 0.000 0.865 89 R HN 0.921 nan 8.270 nan 0.000 0.447 90 E N 0.093 120.330 120.200 0.061 0.000 2.338 90 E HA -0.146 4.203 4.350 -0.001 0.000 0.197 90 E C 1.692 178.305 176.600 0.021 0.000 1.007 90 E CA 1.479 57.893 56.400 0.024 0.000 0.849 90 E CB -0.937 28.767 29.700 0.008 0.000 0.774 90 E HN 0.656 nan 8.360 nan 0.000 0.506 91 T N -1.069 113.510 114.554 0.042 0.000 2.942 91 T HA 0.149 4.498 4.350 -0.001 0.000 0.265 91 T C 1.234 175.967 174.700 0.056 0.000 1.062 91 T CA 0.049 62.178 62.100 0.048 0.000 1.139 91 T CB -0.543 68.360 68.868 0.058 0.000 0.883 91 T HN 0.333 nan 8.240 nan 0.000 0.468 92 L N 2.178 123.425 121.223 0.040 0.000 2.578 92 L HA 0.354 4.694 4.340 -0.001 0.000 0.279 92 L C 1.683 178.547 176.870 -0.010 0.000 1.227 92 L CA 1.070 55.888 54.840 -0.037 0.000 0.900 92 L CB -0.167 41.752 42.059 -0.234 0.000 1.144 92 L HN 0.611 nan 8.230 nan 0.000 0.496 93 G N 1.753 110.568 108.800 0.026 0.000 2.159 93 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.256 93 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.256 93 G C 0.209 175.182 174.900 0.121 0.000 0.977 93 G CA -0.375 44.767 45.100 0.071 0.000 0.652 93 G HN 0.467 nan 8.290 nan 0.000 0.531 94 R N -0.389 120.165 120.500 0.091 0.000 2.778 94 R HA 0.737 5.077 4.340 -0.001 0.000 0.277 94 R C 0.172 176.506 176.300 0.058 0.000 0.977 94 R CA -1.011 55.131 56.100 0.071 0.000 0.950 94 R CB 1.163 31.488 30.300 0.042 0.000 1.165 94 R HN 0.270 nan 8.270 nan 0.000 0.474 95 I N 2.585 123.159 120.570 0.007 0.000 2.359 95 I HA 0.452 4.622 4.170 -0.001 0.000 0.294 95 I C -0.088 176.053 176.117 0.039 0.000 0.987 95 I CA -0.652 60.664 61.300 0.027 0.000 1.225 95 I CB 1.136 39.092 38.000 -0.072 0.000 1.366 95 I HN 0.297 nan 8.210 nan 0.000 0.466 96 I N 5.627 126.240 120.570 0.071 0.000 2.619 96 I HA 0.285 4.455 4.170 -0.001 0.000 0.292 96 I C -0.365 175.792 176.117 0.068 0.000 1.100 96 I CA -0.538 60.790 61.300 0.046 0.000 1.043 96 I CB 2.007 40.020 38.000 0.021 0.000 1.239 96 I HN 0.636 nan 8.210 nan 0.000 0.420 97 N N 4.700 123.430 118.700 0.051 0.000 2.538 97 N HA 0.188 4.927 4.740 -0.001 0.000 0.292 97 N C 0.768 176.297 175.510 0.032 0.000 1.262 97 N CA -0.751 52.333 53.050 0.057 0.000 0.976 97 N CB 0.434 38.949 38.487 0.046 0.000 1.161 97 N HN 0.360 nan 8.380 nan 0.000 0.598 98 V N -0.216 119.716 119.914 0.030 0.000 2.453 98 V HA -0.168 3.952 4.120 -0.001 0.000 0.252 98 V C 1.589 177.683 176.094 -0.000 0.000 1.068 98 V CA 1.971 64.279 62.300 0.013 0.000 1.070 98 V CB -0.835 30.998 31.823 0.016 0.000 0.664 98 V HN 0.675 nan 8.190 nan 0.000 0.461 99 I N -2.256 118.317 120.570 0.005 0.000 3.810 99 I HA 0.497 4.666 4.170 -0.001 0.000 0.322 99 I C 1.340 177.453 176.117 -0.007 0.000 1.288 99 I CA 0.620 61.920 61.300 -0.001 0.000 1.143 99 I CB -0.454 37.549 38.000 0.006 0.000 1.012 99 I HN 0.334 nan 8.210 nan 0.000 0.423 100 G N 1.108 109.903 108.800 -0.008 0.000 2.159 100 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.256 100 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.256 100 G C -0.049 174.845 174.900 -0.010 0.000 0.977 100 G CA 0.109 45.200 45.100 -0.015 0.000 0.652 100 G HN 0.653 nan 8.290 nan 0.000 0.531 101 E N 1.707 121.906 120.200 -0.002 0.000 2.373 101 E HA 0.341 4.690 4.350 -0.001 0.000 0.267 101 E C -2.078 174.523 176.600 0.002 0.000 1.032 101 E CA -1.482 54.918 56.400 -0.001 0.000 0.889 101 E CB 1.038 30.740 29.700 0.002 0.000 0.984 101 E HN 0.228 nan 8.360 nan 0.000 0.425 102 P HA 0.052 nan 4.420 nan 0.000 0.276 102 P C -0.046 177.250 177.300 -0.006 0.000 1.230 102 P CA 0.275 63.374 63.100 -0.001 0.000 0.776 102 P CB 0.354 32.053 31.700 -0.002 0.000 0.888 103 I N -0.778 119.784 120.570 -0.013 0.000 3.833 103 I HA 0.272 4.441 4.170 -0.001 0.000 0.328 103 I C 0.103 176.179 176.117 -0.067 0.000 1.554 103 I CA -0.291 60.992 61.300 -0.028 0.000 1.116 103 I CB -0.044 37.947 38.000 -0.016 0.000 1.182 103 I HN 0.030 nan 8.210 nan 0.000 0.459 104 D N 0.754 121.112 120.400 -0.069 0.000 2.395 104 D HA 0.154 4.793 4.640 -0.001 0.000 0.213 104 D C 1.020 177.302 176.300 -0.029 0.000 1.110 104 D CA 0.793 54.734 54.000 -0.098 0.000 0.835 104 D CB 0.066 40.790 40.800 -0.127 0.000 0.965 104 D HN 0.387 nan 8.370 nan 0.000 0.505 105 E N 0.757 120.946 120.200 -0.018 0.000 2.586 105 E HA -0.310 4.040 4.350 -0.001 0.000 0.259 105 E C 0.713 177.320 176.600 0.011 0.000 1.107 105 E CA 1.268 57.667 56.400 -0.002 0.000 0.754 105 E CB -2.992 26.708 29.700 0.000 0.000 1.335 105 E HN 0.645 nan 8.360 nan 0.000 0.411 106 R N -0.686 119.822 120.500 0.013 0.000 2.609 106 R HA 0.489 4.828 4.340 -0.001 0.000 0.326 106 R C 1.373 177.682 176.300 0.016 0.000 1.090 106 R CA 0.210 56.323 56.100 0.023 0.000 1.072 106 R CB 0.321 30.644 30.300 0.038 0.000 1.330 106 R HN 1.533 nan 8.270 nan 0.000 0.572 107 G N 2.584 111.390 108.800 0.009 0.000 2.782 107 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.228 107 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.228 107 G C -2.606 172.296 174.900 0.004 0.000 1.372 107 G CA -1.125 43.979 45.100 0.007 0.000 0.862 107 G HN 0.106 nan 8.290 nan 0.000 0.547 108 P HA 0.451 nan 4.420 nan 0.000 0.275 108 P C -0.039 177.260 177.300 -0.002 0.000 1.228 108 P CA -0.308 62.792 63.100 -0.001 0.000 0.786 108 P CB 0.559 32.257 31.700 -0.003 0.000 0.927 109 I N 2.499 123.066 120.570 -0.005 0.000 2.372 109 I HA 0.096 4.266 4.170 -0.001 0.000 0.298 109 I C 1.571 177.679 176.117 -0.015 0.000 1.137 109 I CA 0.443 61.738 61.300 -0.008 0.000 1.314 109 I CB -0.373 37.619 38.000 -0.014 0.000 1.444 109 I HN 0.190 nan 8.210 nan 0.000 0.541 110 K N 4.807 125.201 120.400 -0.010 0.000 3.165 110 K HA 0.092 4.411 4.320 -0.001 0.000 0.270 110 K C 0.648 177.237 176.600 -0.019 0.000 1.111 110 K CA -0.143 56.136 56.287 -0.013 0.000 1.216 110 K CB 0.029 32.526 32.500 -0.005 0.000 1.229 110 K HN 0.696 nan 8.250 nan 0.000 0.435 111 S N 0.217 115.897 115.700 -0.032 0.000 2.550 111 S HA -0.055 4.415 4.470 -0.001 0.000 0.285 111 S C 1.455 176.020 174.600 -0.058 0.000 1.326 111 S CA 0.821 58.990 58.200 -0.052 0.000 1.037 111 S CB 1.092 64.239 63.200 -0.088 0.000 0.838 111 S HN 0.525 nan 8.310 nan 0.000 0.519 112 K N 3.192 123.554 120.400 -0.063 0.000 2.296 112 K HA 0.358 4.677 4.320 -0.001 0.000 0.200 112 K C 0.940 177.487 176.600 -0.090 0.000 1.048 112 K CA 1.150 57.406 56.287 -0.053 0.000 0.966 112 K CB -0.561 31.930 32.500 -0.015 0.000 0.754 112 K HN 0.644 nan 8.250 nan 0.000 0.466 113 L N -1.426 119.699 121.223 -0.164 0.000 2.251 113 L HA 0.631 4.970 4.340 -0.001 0.000 0.244 113 L C -0.713 176.049 176.870 -0.182 0.000 1.095 113 L CA -1.470 53.259 54.840 -0.186 0.000 0.910 113 L CB 2.458 44.341 42.059 -0.293 0.000 1.516 113 L HN 0.154 nan 8.230 nan 0.000 0.429 114 R N 0.752 121.156 120.500 -0.159 0.000 2.651 114 R HA 0.529 4.868 4.340 -0.001 0.000 0.278 114 R C -1.513 174.711 176.300 -0.127 0.000 1.010 114 R CA -1.027 54.992 56.100 -0.136 0.000 0.896 114 R CB 2.723 32.972 30.300 -0.084 0.000 1.211 114 R HN 0.328 nan 8.270 nan 0.000 0.456 115 K N 2.377 122.704 120.400 -0.123 0.000 2.422 115 K HA 0.426 4.745 4.320 -0.001 0.000 0.251 115 K C -2.678 173.888 176.600 -0.057 0.000 0.933 115 K CA -2.123 54.111 56.287 -0.089 0.000 0.798 115 K CB 2.724 35.161 32.500 -0.105 0.000 1.238 115 K HN 0.349 nan 8.250 nan 0.000 0.428 116 P HA 0.084 nan 4.420 nan 0.000 0.271 116 P C 1.009 178.290 177.300 -0.031 0.000 1.220 116 P CA -0.109 62.985 63.100 -0.010 0.000 0.768 116 P CB 0.291 32.003 31.700 0.021 0.000 0.848 117 I N 0.722 121.248 120.570 -0.074 0.000 2.394 117 I HA -0.082 4.087 4.170 -0.001 0.000 0.251 117 I C 0.732 176.722 176.117 -0.212 0.000 1.136 117 I CA 0.925 62.129 61.300 -0.161 0.000 1.425 117 I CB -0.942 36.922 38.000 -0.227 0.000 1.079 117 I HN 0.279 nan 8.210 nan 0.000 0.425 118 H N 2.839 121.909 119.070 -0.000 0.000 2.723 118 H HA 0.713 5.268 4.556 -0.001 0.000 0.294 118 H C -0.285 175.043 175.328 -0.001 0.000 1.079 118 H CA 0.019 56.068 56.048 0.002 0.000 1.411 118 H CB 1.005 30.768 29.762 0.001 0.000 1.439 118 H HN 0.453 nan 8.280 nan 0.000 0.474 119 A N 3.668 126.547 122.820 0.098 0.000 2.539 119 A HA 0.305 4.624 4.320 -0.001 0.000 0.296 119 A C -0.698 176.917 177.584 0.052 0.000 1.073 119 A CA -0.992 51.080 52.037 0.059 0.000 0.700 119 A CB 1.476 20.494 19.000 0.031 0.000 1.296 119 A HN 0.511 nan 8.150 nan 0.000 0.405 120 D N 2.789 123.213 120.400 0.039 0.000 2.389 120 D HA 0.381 5.020 4.640 -0.001 0.000 0.247 120 D C -1.879 174.437 176.300 0.026 0.000 1.128 120 D CA -0.340 53.679 54.000 0.033 0.000 0.884 120 D CB 0.615 41.431 40.800 0.027 0.000 1.194 120 D HN 0.329 nan 8.370 nan 0.000 0.441 121 P HA 0.156 nan 4.420 nan 0.000 0.270 121 P C -2.503 174.808 177.300 0.019 0.000 1.223 121 P CA -0.984 62.127 63.100 0.018 0.000 0.785 121 P CB -0.518 31.196 31.700 0.023 0.000 0.923 122 P HA -0.037 nan 4.420 nan 0.000 0.266 122 P C 0.438 177.753 177.300 0.026 0.000 1.186 122 P CA 0.427 63.533 63.100 0.009 0.000 0.767 122 P CB 0.091 31.786 31.700 -0.009 0.000 0.820 123 S N 2.058 117.779 115.700 0.035 0.000 2.608 123 S HA 0.106 4.575 4.470 -0.001 0.000 0.261 123 S C 0.964 175.622 174.600 0.096 0.000 1.314 123 S CA -0.429 57.816 58.200 0.074 0.000 0.992 123 S CB -0.058 63.187 63.200 0.075 0.000 0.935 123 S HN 0.449 nan 8.310 nan 0.000 0.564 124 F N 1.260 121.210 119.950 0.001 0.000 2.216 124 F HA 0.006 4.533 4.527 -0.001 0.000 0.300 124 F C 2.301 178.100 175.800 -0.002 0.000 1.085 124 F CA 1.414 59.414 58.000 -0.000 0.000 1.326 124 F CB -0.758 38.242 39.000 0.000 0.000 1.027 124 F HN 0.724 nan 8.300 nan 0.000 0.497 125 A N 0.130 123.056 122.820 0.177 0.000 1.898 125 A HA -0.184 4.136 4.320 -0.001 0.000 0.216 125 A C 2.032 179.595 177.584 -0.036 0.000 1.181 125 A CA 1.737 53.817 52.037 0.072 0.000 0.620 125 A CB -0.844 18.218 19.000 0.104 0.000 0.819 125 A HN 0.500 nan 8.150 nan 0.000 0.442 126 E N 0.074 120.259 120.200 -0.024 0.000 2.265 126 E HA -0.088 4.261 4.350 -0.001 0.000 0.196 126 E C 0.235 176.786 176.600 -0.083 0.000 0.996 126 E CA 0.234 56.609 56.400 -0.041 0.000 0.832 126 E CB 0.015 29.704 29.700 -0.018 0.000 0.756 126 E HN 0.498 nan 8.360 nan 0.000 0.491 127 Q N 0.915 120.630 119.800 -0.142 0.000 2.300 127 Q HA 0.021 4.361 4.340 -0.001 0.000 0.280 127 Q C -0.025 175.873 176.000 -0.169 0.000 1.033 127 Q CA 0.180 55.877 55.803 -0.176 0.000 0.903 127 Q CB 1.329 29.895 28.738 -0.286 0.000 1.195 127 Q HN 0.050 nan 8.270 nan 0.000 0.386 128 S N 1.356 116.984 115.700 -0.120 0.000 2.566 128 S HA 0.017 4.486 4.470 -0.001 0.000 0.280 128 S C 1.219 175.746 174.600 -0.121 0.000 1.343 128 S CA 0.538 58.678 58.200 -0.101 0.000 1.036 128 S CB 0.521 63.676 63.200 -0.075 0.000 0.866 128 S HN 0.738 nan 8.310 nan 0.000 0.526 129 T N 0.420 114.914 114.554 -0.099 0.000 3.000 129 T HA 0.294 4.643 4.350 -0.001 0.000 0.248 129 T C 0.178 174.837 174.700 -0.069 0.000 1.034 129 T CA -0.004 62.036 62.100 -0.099 0.000 1.060 129 T CB -0.043 68.773 68.868 -0.086 0.000 0.983 129 T HN 0.410 nan 8.240 nan 0.000 0.482 130 S N 1.719 117.385 115.700 -0.056 0.000 2.552 130 S HA 0.786 5.255 4.470 -0.001 0.000 0.314 130 S C -0.017 174.558 174.600 -0.041 0.000 1.099 130 S CA -0.918 57.256 58.200 -0.043 0.000 1.070 130 S CB 1.420 64.600 63.200 -0.034 0.000 0.998 130 S HN 0.728 nan 8.310 nan 0.000 0.474 131 A N 3.124 125.921 122.820 -0.039 0.000 2.483 131 A HA 0.472 4.792 4.320 -0.001 0.000 0.238 131 A C 0.491 178.057 177.584 -0.030 0.000 1.070 131 A CA -0.116 51.900 52.037 -0.035 0.000 0.770 131 A CB 0.038 19.020 19.000 -0.031 0.000 1.008 131 A HN 0.872 nan 8.150 nan 0.000 0.497 132 E N 1.613 121.797 120.200 -0.027 0.000 2.390 132 E HA 0.504 4.853 4.350 -0.001 0.000 0.277 132 E C -1.221 175.372 176.600 -0.013 0.000 0.939 132 E CA -1.026 55.362 56.400 -0.020 0.000 0.769 132 E CB 0.788 30.478 29.700 -0.017 0.000 1.251 132 E HN 0.334 nan 8.360 nan 0.000 0.450 133 I N 1.752 122.319 120.570 -0.005 0.000 2.754 133 I HA 0.058 4.227 4.170 -0.001 0.000 0.285 133 I C 0.252 176.375 176.117 0.009 0.000 1.166 133 I CA -0.355 60.951 61.300 0.009 0.000 1.417 133 I CB 0.213 38.221 38.000 0.013 0.000 1.382 133 I HN 0.578 nan 8.210 nan 0.000 0.588 134 L N 5.876 127.110 121.223 0.018 0.000 2.264 134 L HA 0.273 4.612 4.340 -0.001 0.000 0.287 134 L C 0.452 177.319 176.870 -0.005 0.000 1.039 134 L CA -0.198 54.625 54.840 -0.029 0.000 0.829 134 L CB 0.483 42.530 42.059 -0.019 0.000 1.211 134 L HN 0.574 nan 8.230 nan 0.000 0.427 135 E N 2.336 122.564 120.200 0.047 0.000 2.415 135 E HA -0.060 4.290 4.350 -0.001 0.000 0.260 135 E C 0.307 176.948 176.600 0.068 0.000 1.016 135 E CA 0.256 56.712 56.400 0.093 0.000 0.924 135 E CB 0.827 30.631 29.700 0.174 0.000 0.961 135 E HN 0.682 nan 8.360 nan 0.000 0.459 136 T N 2.655 117.181 114.554 -0.046 0.000 3.054 136 T HA 0.225 4.574 4.350 -0.001 0.000 0.255 136 T C 1.194 175.826 174.700 -0.113 0.000 1.035 136 T CA 0.789 62.813 62.100 -0.127 0.000 0.941 136 T CB -0.111 68.553 68.868 -0.340 0.000 1.026 136 T HN 0.822 nan 8.240 nan 0.000 0.533 137 G N 1.596 110.361 108.800 -0.058 0.000 2.353 137 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.258 137 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.258 137 G C 0.221 175.101 174.900 -0.033 0.000 1.013 137 G CA 0.537 45.609 45.100 -0.047 0.000 0.622 137 G HN 0.600 nan 8.290 nan 0.000 0.535 138 I N 1.189 121.722 120.570 -0.062 0.000 2.395 138 I HA 0.222 4.391 4.170 -0.001 0.000 0.289 138 I C 1.638 177.762 176.117 0.012 0.000 1.023 138 I CA -0.573 60.745 61.300 0.031 0.000 1.350 138 I CB 1.311 39.308 38.000 -0.005 0.000 1.409 138 I HN 0.027 nan 8.210 nan 0.000 0.507 139 K N 4.006 124.428 120.400 0.036 0.000 1.965 139 K HA -0.131 4.188 4.320 -0.001 0.000 0.214 139 K C 1.850 178.397 176.600 -0.088 0.000 1.046 139 K CA 1.585 57.843 56.287 -0.049 0.000 0.944 139 K CB -0.293 32.174 32.500 -0.055 0.000 0.726 139 K HN 0.637 nan 8.250 nan 0.000 0.441 140 V N 0.508 120.410 119.914 -0.020 0.000 2.313 140 V HA -0.260 3.860 4.120 -0.001 0.000 0.253 140 V C 2.319 178.395 176.094 -0.030 0.000 1.070 140 V CA 1.897 64.181 62.300 -0.027 0.000 1.057 140 V CB -1.110 30.752 31.823 0.065 0.000 0.653 140 V HN 0.058 nan 8.190 nan 0.000 0.450 141 V N 0.227 120.144 119.914 0.005 0.000 2.407 141 V HA -0.136 3.984 4.120 -0.001 0.000 0.245 141 V C 2.385 178.432 176.094 -0.079 0.000 1.041 141 V CA 2.147 64.427 62.300 -0.033 0.000 1.040 141 V CB -0.673 31.087 31.823 -0.106 0.000 0.671 141 V HN 0.482 nan 8.190 nan 0.000 0.455 142 D N -0.244 120.103 120.400 -0.088 0.000 2.269 142 D HA -0.075 4.565 4.640 -0.001 0.000 0.208 142 D C 1.826 178.158 176.300 0.054 0.000 0.963 142 D CA 0.850 54.831 54.000 -0.033 0.000 0.864 142 D CB 0.198 40.974 40.800 -0.040 0.000 0.936 142 D HN 0.366 nan 8.370 nan 0.000 0.505 143 L N -0.470 120.716 121.223 -0.061 0.000 2.145 143 L HA 0.091 4.430 4.340 -0.001 0.000 0.201 143 L C 1.741 178.633 176.870 0.038 0.000 1.075 143 L CA 1.303 56.092 54.840 -0.085 0.000 0.773 143 L CB -0.032 41.774 42.059 -0.421 0.000 0.936 143 L HN -0.079 nan 8.230 nan 0.000 0.451 144 L N -0.863 120.338 121.223 -0.037 0.000 2.500 144 L HA 0.432 4.771 4.340 -0.001 0.000 0.219 144 L C 0.842 177.716 176.870 0.007 0.000 1.057 144 L CA 0.465 55.287 54.840 -0.030 0.000 0.854 144 L CB -0.095 41.925 42.059 -0.064 0.000 1.078 144 L HN 0.164 nan 8.230 nan 0.000 0.480 145 A N 0.817 123.654 122.820 0.029 0.000 3.370 145 A HA 0.477 4.797 4.320 -0.001 0.000 0.295 145 A C -2.644 175.004 177.584 0.108 0.000 1.030 145 A CA -0.979 51.099 52.037 0.069 0.000 0.883 145 A CB -0.254 18.801 19.000 0.090 0.000 1.191 145 A HN -0.147 nan 8.150 nan 0.000 0.507 146 P HA 0.078 nan 4.420 nan 0.000 0.268 146 P C -0.808 176.616 177.300 0.206 0.000 1.205 146 P CA 0.343 63.483 63.100 0.066 0.000 0.771 146 P CB 0.493 32.199 31.700 0.011 0.000 0.858 147 Y N 0.919 121.223 120.300 0.006 0.000 2.425 147 Y HA 0.265 4.814 4.550 -0.001 0.000 0.331 147 Y C 1.277 177.155 175.900 -0.037 0.000 1.157 147 Y CA -1.263 56.829 58.100 -0.013 0.000 1.372 147 Y CB -0.196 38.251 38.460 -0.022 0.000 1.253 147 Y HN 0.397 nan 8.280 nan 0.000 0.536 148 A N 5.023 127.897 122.820 0.090 0.000 2.401 148 A HA 0.363 4.682 4.320 -0.001 0.000 0.259 148 A C 0.498 178.075 177.584 -0.011 0.000 1.103 148 A CA -0.719 51.327 52.037 0.016 0.000 0.789 148 A CB 0.024 19.013 19.000 -0.018 0.000 1.035 148 A HN 0.819 nan 8.150 nan 0.000 0.491 149 R N 1.975 122.460 120.500 -0.024 0.000 2.316 149 R HA 0.426 4.766 4.340 -0.001 0.000 0.314 149 R C 1.134 177.396 176.300 -0.063 0.000 1.069 149 R CA 1.144 57.211 56.100 -0.055 0.000 0.959 149 R CB -0.046 30.219 30.300 -0.058 0.000 0.987 149 R HN 1.636 nan 8.270 nan 0.000 0.446 150 G N 2.562 111.315 108.800 -0.080 0.000 2.225 150 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.254 150 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.254 150 G C 0.382 175.232 174.900 -0.084 0.000 0.988 150 G CA -0.082 44.971 45.100 -0.078 0.000 0.625 150 G HN 0.959 nan 8.290 nan 0.000 0.527 151 G N -0.403 108.344 108.800 -0.088 0.000 2.621 151 G HA2 0.573 4.532 3.960 -0.001 0.000 0.271 151 G HA3 0.573 4.532 3.960 -0.001 0.000 0.271 151 G C -0.247 174.569 174.900 -0.139 0.000 1.236 151 G CA -0.121 44.922 45.100 -0.094 0.000 0.958 151 G HN 0.436 nan 8.290 nan 0.000 0.512 152 K N -0.954 119.364 120.400 -0.137 0.000 2.270 152 K HA 0.606 4.926 4.320 -0.001 0.000 0.255 152 K C -1.011 175.464 176.600 -0.209 0.000 0.936 152 K CA -0.287 55.894 56.287 -0.176 0.000 0.809 152 K CB 2.222 34.645 32.500 -0.128 0.000 1.131 152 K HN 0.240 nan 8.250 nan 0.000 0.427 153 I N 1.345 121.746 120.570 -0.283 0.000 2.447 153 I HA 0.331 4.500 4.170 -0.001 0.000 0.287 153 I C 0.176 176.175 176.117 -0.197 0.000 1.023 153 I CA -0.459 60.664 61.300 -0.295 0.000 1.083 153 I CB 2.254 39.881 38.000 -0.622 0.000 1.245 153 I HN 0.645 nan 8.210 nan 0.000 0.434 154 G N 6.089 114.822 108.800 -0.111 0.000 2.351 154 G HA2 0.474 4.433 3.960 -0.001 0.000 0.287 154 G HA3 0.474 4.433 3.960 -0.001 0.000 0.287 154 G C -0.839 174.108 174.900 0.079 0.000 1.159 154 G CA -0.334 44.715 45.100 -0.084 0.000 0.929 154 G HN 0.516 nan 8.290 nan 0.000 0.435 155 L N 3.477 124.692 121.223 -0.014 0.000 2.257 155 L HA 0.663 5.003 4.340 -0.001 0.000 0.290 155 L C -1.060 175.812 176.870 0.003 0.000 1.044 155 L CA -0.616 54.279 54.840 0.092 0.000 0.810 155 L CB 0.253 42.388 42.059 0.126 0.000 1.193 155 L HN 0.336 nan 8.230 nan 0.000 0.425 156 F N 3.585 123.543 119.950 0.012 0.000 2.425 156 F HA 0.804 5.331 4.527 -0.001 0.000 0.331 156 F C 0.918 176.739 175.800 0.035 0.000 1.085 156 F CA -0.117 57.903 58.000 0.033 0.000 1.028 156 F CB 1.788 40.806 39.000 0.029 0.000 1.177 156 F HN 0.698 nan 8.300 nan 0.000 0.487 157 G N 0.989 109.916 108.800 0.211 0.000 2.895 157 G HA2 0.316 4.275 3.960 -0.001 0.000 0.686 157 G HA3 0.316 4.275 3.960 -0.001 0.000 0.686 157 G C -0.150 174.828 174.900 0.131 0.000 1.108 157 G CA -0.643 44.550 45.100 0.156 0.000 0.761 157 G HN 1.134 nan 8.290 nan 0.000 0.611 158 G N 0.760 109.639 108.800 0.132 0.000 3.227 158 G HA2 0.895 4.855 3.960 -0.001 0.000 0.171 158 G HA3 0.895 4.855 3.960 -0.001 0.000 0.171 158 G C 1.060 176.034 174.900 0.124 0.000 1.463 158 G CA 0.665 45.845 45.100 0.133 0.000 1.016 158 G HN 2.283 nan 8.290 nan 0.000 0.594 159 A N -1.580 121.310 122.820 0.117 0.000 2.520 159 A HA 0.481 4.800 4.320 -0.001 0.000 0.235 159 A C 1.516 179.164 177.584 0.108 0.000 1.065 159 A CA 1.460 53.563 52.037 0.111 0.000 0.764 159 A CB -0.477 18.581 19.000 0.097 0.000 1.002 159 A HN 2.452 nan 8.150 nan 0.000 0.502 160 G N -0.624 108.245 108.800 0.116 0.000 2.175 160 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.244 160 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.244 160 G C 0.620 175.600 174.900 0.132 0.000 0.982 160 G CA 0.767 45.937 45.100 0.116 0.000 0.641 160 G HN 2.247 nan 8.290 nan 0.000 0.527 161 V N -2.790 117.211 119.914 0.145 0.000 3.276 161 V HA 0.679 4.798 4.120 -0.001 0.000 0.319 161 V C 1.593 177.824 176.094 0.229 0.000 1.427 161 V CA 0.912 63.301 62.300 0.147 0.000 1.102 161 V CB 0.057 31.940 31.823 0.100 0.000 1.020 161 V HN 2.150 nan 8.190 nan 0.000 0.456 162 G N 1.361 110.325 108.800 0.274 0.000 2.182 162 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.248 162 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.248 162 G C 0.724 175.799 174.900 0.292 0.000 1.042 162 G CA 0.801 46.095 45.100 0.323 0.000 0.775 162 G HN 0.597 nan 8.290 nan 0.000 0.501 163 K N -0.219 120.319 120.400 0.229 0.000 2.002 163 K HA -0.120 4.199 4.320 -0.001 0.000 0.209 163 K C 2.985 179.720 176.600 0.226 0.000 1.048 163 K CA 2.333 58.757 56.287 0.228 0.000 0.930 163 K CB -0.303 32.306 32.500 0.182 0.000 0.714 163 K HN 0.607 nan 8.250 nan 0.000 0.438 164 T N -1.733 112.912 114.554 0.152 0.000 2.881 164 T HA -0.075 4.274 4.350 -0.001 0.000 0.270 164 T C 1.846 176.563 174.700 0.028 0.000 1.068 164 T CA 1.295 63.431 62.100 0.060 0.000 1.131 164 T CB -0.300 68.583 68.868 0.026 0.000 0.871 164 T HN -0.008 nan 8.240 nan 0.000 0.479 165 V N 0.271 120.244 119.914 0.098 0.000 2.407 165 V HA 0.067 4.187 4.120 -0.001 0.000 0.245 165 V C 2.130 178.291 176.094 0.111 0.000 1.041 165 V CA 1.398 63.742 62.300 0.074 0.000 1.040 165 V CB -0.983 30.912 31.823 0.119 0.000 0.671 165 V HN 0.462 nan 8.190 nan 0.000 0.455 166 F N 0.875 120.902 119.950 0.129 0.000 2.069 166 F HA -0.237 4.289 4.527 -0.001 0.000 0.298 166 F C 2.128 177.917 175.800 -0.018 0.000 1.113 166 F CA 1.965 60.031 58.000 0.109 0.000 1.214 166 F CB -0.258 38.881 39.000 0.230 0.000 0.978 166 F HN 0.035 nan 8.300 nan 0.000 0.474 167 I N 0.175 120.862 120.570 0.194 0.000 2.163 167 I HA -0.369 3.800 4.170 -0.001 0.000 0.243 167 I C 2.432 178.393 176.117 -0.260 0.000 1.085 167 I CA 1.754 63.025 61.300 -0.049 0.000 1.347 167 I CB -0.601 37.290 38.000 -0.183 0.000 1.044 167 I HN 0.270 nan 8.210 nan 0.000 0.408 168 Q N -0.215 119.452 119.800 -0.222 0.000 2.167 168 Q HA -0.260 4.079 4.340 -0.001 0.000 0.202 168 Q C 2.074 177.924 176.000 -0.249 0.000 0.970 168 Q CA 1.458 57.124 55.803 -0.228 0.000 0.855 168 Q CB -0.024 28.596 28.738 -0.196 0.000 0.911 168 Q HN 0.395 nan 8.270 nan 0.000 0.438 169 E N 0.610 120.580 120.200 -0.384 0.000 2.152 169 E HA -0.109 4.240 4.350 -0.001 0.000 0.192 169 E C 1.679 178.017 176.600 -0.437 0.000 0.983 169 E CA 0.567 56.642 56.400 -0.542 0.000 0.818 169 E CB -0.038 28.941 29.700 -1.202 0.000 0.758 169 E HN 0.268 nan 8.360 nan 0.000 0.467 170 L N 0.219 121.212 121.223 -0.383 0.000 2.012 170 L HA -0.187 4.153 4.340 -0.001 0.000 0.210 170 L C 2.440 179.308 176.870 -0.003 0.000 1.073 170 L CA 1.263 56.008 54.840 -0.159 0.000 0.748 170 L CB -0.487 41.616 42.059 0.073 0.000 0.891 170 L HN 0.231 nan 8.230 nan 0.000 0.431 171 I N -0.054 120.550 120.570 0.056 0.000 2.118 171 I HA -0.375 3.795 4.170 -0.001 0.000 0.241 171 I C 2.338 178.460 176.117 0.009 0.000 1.070 171 I CA 1.877 63.230 61.300 0.088 0.000 1.327 171 I CB -0.502 37.522 38.000 0.040 0.000 1.034 171 I HN 0.386 nan 8.210 nan 0.000 0.405 172 N N 1.325 119.988 118.700 -0.062 0.000 2.000 172 N HA -0.234 4.506 4.740 -0.001 0.000 0.198 172 N C 1.591 177.066 175.510 -0.059 0.000 1.057 172 N CA 2.207 55.216 53.050 -0.069 0.000 0.858 172 N CB -0.181 38.236 38.487 -0.116 0.000 1.057 172 N HN 0.164 nan 8.380 nan 0.000 0.423 173 N N 0.136 118.778 118.700 -0.097 0.000 2.094 173 N HA -0.130 4.609 4.740 -0.001 0.000 0.191 173 N C 1.547 177.056 175.510 -0.002 0.000 1.023 173 N CA 0.992 53.999 53.050 -0.071 0.000 0.857 173 N CB -0.397 38.019 38.487 -0.118 0.000 1.013 173 N HN 0.359 nan 8.380 nan 0.000 0.426 174 I N 0.795 121.374 120.570 0.014 0.000 2.226 174 I HA -0.114 4.056 4.170 -0.001 0.000 0.245 174 I C 2.058 178.204 176.117 0.049 0.000 1.100 174 I CA 0.695 62.038 61.300 0.072 0.000 1.374 174 I CB -1.575 36.428 38.000 0.005 0.000 1.057 174 I HN 0.040 nan 8.210 nan 0.000 0.413 175 A N 0.013 122.834 122.820 0.001 0.000 2.168 175 A HA -0.109 4.210 4.320 -0.001 0.000 0.215 175 A C 2.171 179.730 177.584 -0.041 0.000 1.152 175 A CA 1.086 53.102 52.037 -0.034 0.000 0.716 175 A CB -0.193 18.821 19.000 0.023 0.000 0.794 175 A HN 0.260 nan 8.150 nan 0.000 0.465 176 K N -1.240 119.142 120.400 -0.031 0.000 2.350 176 K HA 0.288 4.607 4.320 -0.001 0.000 0.196 176 K C 1.748 178.298 176.600 -0.082 0.000 1.084 176 K CA 1.006 57.264 56.287 -0.049 0.000 0.967 176 K CB -0.038 32.436 32.500 -0.043 0.000 0.950 176 K HN 0.345 nan 8.250 nan 0.000 0.512 177 A N 0.460 123.225 122.820 -0.092 0.000 2.267 177 A HA 0.035 4.355 4.320 -0.001 0.000 0.213 177 A C 0.982 178.245 177.584 -0.536 0.000 1.192 177 A CA 0.528 52.410 52.037 -0.258 0.000 0.851 177 A CB -0.085 18.779 19.000 -0.227 0.000 0.881 177 A HN 0.243 nan 8.150 nan 0.000 0.494 178 H N -2.270 116.748 119.070 -0.087 0.000 3.787 178 H HA 0.174 4.729 4.556 -0.001 0.000 0.262 178 H C 1.283 176.525 175.328 -0.144 0.000 1.181 178 H CA 0.313 56.301 56.048 -0.100 0.000 1.159 178 H CB 0.339 30.046 29.762 -0.093 0.000 1.563 178 H HN 0.577 nan 8.280 nan 0.000 0.699 179 G N 1.867 110.620 108.800 -0.079 0.000 2.305 179 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.287 179 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.287 179 G C 0.573 175.241 174.900 -0.387 0.000 1.036 179 G CA 0.507 45.484 45.100 -0.206 0.000 0.887 179 G HN 0.630 nan 8.290 nan 0.000 0.505 180 G N -1.231 107.378 108.800 -0.318 0.000 2.400 180 G HA2 0.738 4.697 3.960 -0.001 0.000 0.333 180 G HA3 0.738 4.697 3.960 -0.001 0.000 0.333 180 G C -0.219 174.404 174.900 -0.462 0.000 1.143 180 G CA -0.999 43.846 45.100 -0.424 0.000 0.914 180 G HN 0.152 nan 8.290 nan 0.000 0.480 181 F N -0.013 119.766 119.950 -0.284 0.000 2.321 181 F HA 0.700 5.227 4.527 -0.001 0.000 0.318 181 F C 0.938 176.640 175.800 -0.162 0.000 1.129 181 F CA -0.847 56.961 58.000 -0.319 0.000 1.074 181 F CB 1.388 39.966 39.000 -0.704 0.000 1.432 181 F HN 0.280 nan 8.300 nan 0.000 0.502 182 S N -0.333 115.469 115.700 0.170 0.000 2.542 182 S HA 0.726 5.195 4.470 -0.001 0.000 0.293 182 S C -1.327 173.411 174.600 0.231 0.000 1.089 182 S CA -0.730 57.597 58.200 0.212 0.000 0.961 182 S CB 2.164 65.560 63.200 0.327 0.000 1.062 182 S HN 0.259 nan 8.310 nan 0.000 0.483 183 V N 2.941 123.004 119.914 0.248 0.000 2.407 183 V HA 0.449 4.569 4.120 -0.001 0.000 0.291 183 V C -1.105 175.155 176.094 0.275 0.000 1.018 183 V CA -0.620 61.814 62.300 0.222 0.000 0.842 183 V CB 1.018 32.937 31.823 0.161 0.000 0.996 183 V HN 0.842 nan 8.190 nan 0.000 0.426 184 F N 3.842 123.850 119.950 0.096 0.000 2.391 184 F HA 0.571 5.097 4.527 -0.001 0.000 0.359 184 F C 0.516 176.223 175.800 -0.154 0.000 1.122 184 F CA 0.125 58.146 58.000 0.035 0.000 1.120 184 F CB 1.215 40.171 39.000 -0.073 0.000 1.142 184 F HN 0.449 nan 8.300 nan 0.000 0.483 185 T N 5.240 119.517 114.554 -0.462 0.000 2.772 185 T HA 0.461 4.810 4.350 -0.001 0.000 0.288 185 T C 0.174 174.565 174.700 -0.515 0.000 0.994 185 T CA -0.563 61.301 62.100 -0.394 0.000 0.951 185 T CB 0.967 69.691 68.868 -0.241 0.000 0.933 185 T HN 0.828 nan 8.240 nan 0.000 0.447 186 G N 2.130 110.742 108.800 -0.313 0.000 2.327 186 G HA2 0.517 4.476 3.960 -0.001 0.000 0.302 186 G HA3 0.517 4.476 3.960 -0.001 0.000 0.302 186 G C -0.557 174.393 174.900 0.084 0.000 1.113 186 G CA -0.341 44.782 45.100 0.038 0.000 0.921 186 G HN 0.637 nan 8.290 nan 0.000 0.425 187 V N 2.881 122.828 119.914 0.056 0.000 2.334 187 V HA 0.589 4.708 4.120 -0.001 0.000 0.281 187 V C 1.179 177.326 176.094 0.089 0.000 1.016 187 V CA 0.540 62.884 62.300 0.074 0.000 0.832 187 V CB 0.742 32.606 31.823 0.067 0.000 0.999 187 V HN 1.423 nan 8.190 nan 0.000 0.439 188 G N 4.017 112.870 108.800 0.089 0.000 2.166 188 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.260 188 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.260 188 G C 0.262 175.216 174.900 0.089 0.000 0.986 188 G CA 0.673 45.812 45.100 0.066 0.000 0.683 188 G HN 0.847 nan 8.290 nan 0.000 0.527 189 E N 0.216 120.506 120.200 0.149 0.000 2.458 189 E HA 0.346 4.695 4.350 -0.001 0.000 0.264 189 E C 1.015 177.679 176.600 0.107 0.000 1.097 189 E CA -0.165 56.341 56.400 0.175 0.000 0.973 189 E CB 0.306 30.203 29.700 0.328 0.000 0.963 189 E HN 0.496 nan 8.360 nan 0.000 0.451 190 R N 2.200 122.750 120.500 0.082 0.000 2.438 190 R HA 0.095 4.434 4.340 -0.001 0.000 0.287 190 R C 1.048 177.349 176.300 0.002 0.000 1.077 190 R CA 0.252 56.375 56.100 0.038 0.000 1.034 190 R CB 0.646 30.966 30.300 0.034 0.000 0.993 190 R HN 0.656 nan 8.270 nan 0.000 0.459 191 T N 1.987 116.524 114.554 -0.028 0.000 2.737 191 T HA -0.171 4.178 4.350 -0.001 0.000 0.265 191 T C 1.764 176.404 174.700 -0.100 0.000 1.038 191 T CA 1.152 63.198 62.100 -0.090 0.000 1.144 191 T CB -0.148 68.674 68.868 -0.076 0.000 0.866 191 T HN 0.561 nan 8.240 nan 0.000 0.434 192 R N 1.133 121.602 120.500 -0.050 0.000 2.153 192 R HA -0.194 4.145 4.340 -0.001 0.000 0.252 192 R C 1.976 178.259 176.300 -0.029 0.000 1.158 192 R CA 1.849 57.929 56.100 -0.033 0.000 0.975 192 R CB -0.136 30.158 30.300 -0.010 0.000 0.871 192 R HN 0.527 nan 8.270 nan 0.000 0.450 193 E N -1.598 118.591 120.200 -0.018 0.000 2.250 193 E HA -0.007 4.343 4.350 -0.001 0.000 0.192 193 E C 1.813 178.406 176.600 -0.011 0.000 0.986 193 E CA 0.547 56.955 56.400 0.013 0.000 0.849 193 E CB 0.128 29.863 29.700 0.059 0.000 0.797 193 E HN 0.568 nan 8.360 nan 0.000 0.482 194 G N 1.937 110.662 108.800 -0.124 0.000 2.402 194 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.216 194 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.216 194 G C 1.470 176.179 174.900 -0.318 0.000 1.162 194 G CA 0.627 45.474 45.100 -0.422 0.000 0.777 194 G HN 0.177 nan 8.290 nan 0.000 0.539 195 N N 0.998 119.571 118.700 -0.210 0.000 2.120 195 N HA -0.130 4.609 4.740 -0.001 0.000 0.188 195 N C 1.637 177.159 175.510 0.021 0.000 1.024 195 N CA 1.463 54.471 53.050 -0.070 0.000 0.852 195 N CB -0.304 38.149 38.487 -0.057 0.000 1.003 195 N HN 0.126 nan 8.380 nan 0.000 0.424 196 D N 0.910 121.311 120.400 0.001 0.000 2.116 196 D HA -0.171 4.469 4.640 -0.001 0.000 0.193 196 D C 2.000 178.321 176.300 0.034 0.000 0.998 196 D CA 0.705 54.719 54.000 0.024 0.000 0.836 196 D CB -0.295 40.520 40.800 0.026 0.000 0.951 196 D HN 0.258 nan 8.370 nan 0.000 0.449 197 L N -0.099 121.142 121.223 0.031 0.000 2.093 197 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 197 L C 2.216 179.115 176.870 0.049 0.000 1.085 197 L CA 1.349 56.191 54.840 0.004 0.000 0.755 197 L CB -0.660 41.370 42.059 -0.049 0.000 0.904 197 L HN 0.021 nan 8.230 nan 0.000 0.435 198 Y N 0.282 120.565 120.300 -0.028 0.000 2.181 198 Y HA -0.225 4.324 4.550 -0.001 0.000 0.288 198 Y C 2.834 178.728 175.900 -0.011 0.000 1.146 198 Y CA 1.973 60.071 58.100 -0.004 0.000 1.164 198 Y CB -0.267 38.192 38.460 -0.002 0.000 0.982 198 Y HN 0.153 nan 8.280 nan 0.000 0.515 199 R N 0.164 120.629 120.500 -0.058 0.000 2.115 199 R HA -0.156 4.184 4.340 -0.001 0.000 0.230 199 R C 2.263 178.511 176.300 -0.087 0.000 1.111 199 R CA 1.568 57.594 56.100 -0.123 0.000 0.976 199 R CB -0.223 30.064 30.300 -0.021 0.000 0.870 199 R HN 0.462 nan 8.270 nan 0.000 0.445 200 E N -0.315 119.868 120.200 -0.030 0.000 2.299 200 E HA -0.093 4.256 4.350 -0.001 0.000 0.193 200 E C 1.693 178.256 176.600 -0.061 0.000 0.998 200 E CA 0.410 56.819 56.400 0.016 0.000 0.851 200 E CB 0.196 29.934 29.700 0.063 0.000 0.795 200 E HN 0.337 nan 8.360 nan 0.000 0.492 201 M N 0.023 119.560 119.600 -0.105 0.000 2.349 201 M HA -0.063 4.416 4.480 -0.001 0.000 0.266 201 M C 1.978 178.197 176.300 -0.137 0.000 1.076 201 M CA 1.093 56.319 55.300 -0.122 0.000 1.126 201 M CB 0.228 32.770 32.600 -0.097 0.000 1.392 201 M HN -0.083 nan 8.290 nan 0.000 0.440 202 K N 0.014 120.299 120.400 -0.191 0.000 2.076 202 K HA -0.089 4.231 4.320 -0.001 0.000 0.204 202 K C 1.772 178.313 176.600 -0.099 0.000 1.051 202 K CA 1.055 57.235 56.287 -0.178 0.000 0.949 202 K CB -0.074 32.261 32.500 -0.275 0.000 0.726 202 K HN 0.362 nan 8.250 nan 0.000 0.443 203 E N 0.126 120.290 120.200 -0.061 0.000 2.085 203 E HA -0.177 4.173 4.350 -0.001 0.000 0.194 203 E C 1.870 178.465 176.600 -0.007 0.000 0.994 203 E CA 1.305 57.715 56.400 0.016 0.000 0.801 203 E CB -0.048 29.730 29.700 0.129 0.000 0.743 203 E HN 0.148 nan 8.360 nan 0.000 0.453 204 T N -1.762 112.746 114.554 -0.076 0.000 3.088 204 T HA 0.097 4.446 4.350 -0.001 0.000 0.259 204 T C 1.194 175.830 174.700 -0.107 0.000 1.122 204 T CA 1.003 63.014 62.100 -0.148 0.000 1.095 204 T CB 0.065 68.795 68.868 -0.231 0.000 0.930 204 T HN 0.459 nan 8.240 nan 0.000 0.508 205 G N 0.161 108.911 108.800 -0.083 0.000 2.213 205 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.236 205 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.236 205 G C 1.237 176.099 174.900 -0.063 0.000 0.991 205 G CA 0.708 45.769 45.100 -0.065 0.000 0.629 205 G HN 0.983 nan 8.290 nan 0.000 0.517 206 V N -1.175 118.693 119.914 -0.077 0.000 2.626 206 V HA 0.391 4.511 4.120 -0.001 0.000 0.252 206 V C 1.340 177.406 176.094 -0.046 0.000 1.067 206 V CA 1.458 63.722 62.300 -0.061 0.000 1.081 206 V CB -0.215 31.562 31.823 -0.077 0.000 0.686 206 V HN 0.472 nan 8.190 nan 0.000 0.468 207 I N 2.160 122.695 120.570 -0.058 0.000 2.362 207 I HA 0.459 4.629 4.170 -0.001 0.000 0.289 207 I C -0.479 175.603 176.117 -0.058 0.000 0.994 207 I CA -0.198 61.075 61.300 -0.044 0.000 1.158 207 I CB 1.470 39.445 38.000 -0.041 0.000 1.315 207 I HN 0.159 nan 8.210 nan 0.000 0.451 208 N N 7.479 126.158 118.700 -0.036 0.000 2.664 208 N HA 0.278 5.017 4.740 -0.001 0.000 0.257 208 N C 0.494 175.993 175.510 -0.019 0.000 1.108 208 N CA -0.313 52.717 53.050 -0.033 0.000 0.822 208 N CB 1.228 39.699 38.487 -0.027 0.000 1.199 208 N HN 0.605 nan 8.380 nan 0.000 0.529 209 L N 1.246 122.458 121.223 -0.018 0.000 2.187 209 L HA -0.160 4.179 4.340 -0.001 0.000 0.213 209 L C 1.328 178.201 176.870 0.005 0.000 1.100 209 L CA 1.239 56.082 54.840 0.005 0.000 0.765 209 L CB 0.140 42.207 42.059 0.013 0.000 0.904 209 L HN 0.422 nan 8.230 nan 0.000 0.437 210 E N -0.158 120.041 120.200 -0.002 0.000 2.024 210 E HA 0.023 4.372 4.350 -0.001 0.000 0.190 210 E C 1.582 178.182 176.600 -0.001 0.000 0.974 210 E CA 0.885 57.285 56.400 0.000 0.000 0.810 210 E CB -0.567 29.132 29.700 -0.002 0.000 0.775 210 E HN 0.349 nan 8.360 nan 0.000 0.453 211 G N 0.036 108.833 108.800 -0.004 0.000 2.711 211 G HA2 0.307 4.267 3.960 -0.001 0.000 0.186 211 G HA3 0.307 4.267 3.960 -0.001 0.000 0.186 211 G C -0.114 174.783 174.900 -0.006 0.000 1.635 211 G CA 0.261 45.359 45.100 -0.003 0.000 1.065 211 G HN 0.375 nan 8.290 nan 0.000 0.545 212 E N -0.763 119.434 120.200 -0.005 0.000 2.216 212 E HA 0.606 4.955 4.350 -0.001 0.000 0.279 212 E C -0.439 176.146 176.600 -0.026 0.000 0.997 212 E CA -0.650 55.743 56.400 -0.011 0.000 0.817 212 E CB 1.174 30.882 29.700 0.014 0.000 1.096 212 E HN 0.477 nan 8.360 nan 0.000 0.393 213 S N 1.423 117.085 115.700 -0.064 0.000 2.501 213 S HA 0.393 4.862 4.470 -0.001 0.000 0.301 213 S C 0.543 175.074 174.600 -0.115 0.000 1.096 213 S CA -0.765 57.394 58.200 -0.070 0.000 1.063 213 S CB 1.622 64.787 63.200 -0.058 0.000 1.042 213 S HN 0.574 nan 8.310 nan 0.000 0.494 214 K N 0.541 120.919 120.400 -0.037 0.000 2.323 214 K HA 0.251 4.571 4.320 -0.001 0.000 0.197 214 K C 0.224 176.845 176.600 0.035 0.000 1.043 214 K CA 0.354 56.669 56.287 0.047 0.000 0.997 214 K CB 0.493 33.036 32.500 0.071 0.000 0.807 214 K HN 0.368 nan 8.250 nan 0.000 0.497 215 V N -0.079 119.831 119.914 -0.005 0.000 3.040 215 V HA 0.706 4.825 4.120 -0.001 0.000 0.312 215 V C -1.853 174.270 176.094 0.048 0.000 1.115 215 V CA -0.896 61.435 62.300 0.051 0.000 0.998 215 V CB 2.014 33.877 31.823 0.067 0.000 1.042 215 V HN 0.056 nan 8.190 nan 0.000 0.433 216 A N 5.543 128.427 122.820 0.106 0.000 2.342 216 A HA 0.856 5.175 4.320 -0.001 0.000 0.323 216 A C -1.227 176.419 177.584 0.104 0.000 1.125 216 A CA -0.658 51.445 52.037 0.110 0.000 0.785 216 A CB 1.170 20.263 19.000 0.155 0.000 1.221 216 A HN 0.828 nan 8.150 nan 0.000 0.463 217 L N 2.551 123.819 121.223 0.075 0.000 2.307 217 L HA 0.615 4.954 4.340 -0.001 0.000 0.284 217 L C -0.956 175.874 176.870 -0.066 0.000 1.023 217 L CA -0.849 53.990 54.840 -0.001 0.000 0.810 217 L CB 1.668 43.789 42.059 0.103 0.000 1.231 217 L HN 0.425 nan 8.230 nan 0.000 0.423 218 V N 3.520 123.298 119.914 -0.227 0.000 2.525 218 V HA 0.457 4.576 4.120 -0.001 0.000 0.299 218 V C -0.793 175.108 176.094 -0.321 0.000 1.034 218 V CA -0.454 61.751 62.300 -0.158 0.000 0.863 218 V CB 1.732 33.502 31.823 -0.090 0.000 0.999 218 V HN 0.386 nan 8.190 nan 0.000 0.423 219 F N 2.040 122.028 119.950 0.063 0.000 2.495 219 F HA 0.798 5.324 4.527 -0.001 0.000 0.327 219 F C 0.724 176.546 175.800 0.037 0.000 1.103 219 F CA -0.683 57.356 58.000 0.065 0.000 0.949 219 F CB 2.486 41.519 39.000 0.054 0.000 1.142 219 F HN 0.542 nan 8.300 nan 0.000 0.457 220 G N 3.171 112.116 108.800 0.241 0.000 3.418 220 G HA2 0.458 4.417 3.960 -0.001 0.000 0.325 220 G HA3 0.458 4.417 3.960 -0.001 0.000 0.325 220 G C -1.012 173.968 174.900 0.133 0.000 1.556 220 G CA -0.572 44.612 45.100 0.140 0.000 1.047 220 G HN 0.559 nan 8.290 nan 0.000 0.500 221 Q N 1.250 121.119 119.800 0.114 0.000 2.471 221 Q HA 0.288 4.627 4.340 -0.001 0.000 0.223 221 Q C 1.628 177.657 176.000 0.049 0.000 1.045 221 Q CA -0.344 55.507 55.803 0.081 0.000 0.956 221 Q CB 1.316 30.077 28.738 0.038 0.000 1.249 221 Q HN 0.495 nan 8.270 nan 0.000 0.549 222 M N 1.380 121.001 119.600 0.036 0.000 2.149 222 M HA -0.195 4.284 4.480 -0.001 0.000 0.261 222 M C 1.323 177.627 176.300 0.006 0.000 1.064 222 M CA 1.354 56.664 55.300 0.017 0.000 1.102 222 M CB -0.273 32.334 32.600 0.013 0.000 1.369 222 M HN 0.680 nan 8.290 nan 0.000 0.408 223 N N 0.173 118.877 118.700 0.006 0.000 2.521 223 N HA -0.034 4.706 4.740 -0.001 0.000 0.188 223 N C -0.288 175.224 175.510 0.002 0.000 1.146 223 N CA 0.372 53.422 53.050 0.001 0.000 0.893 223 N CB -0.412 38.074 38.487 -0.002 0.000 0.975 223 N HN 0.402 nan 8.380 nan 0.000 0.451 224 E N 2.133 122.338 120.200 0.008 0.000 2.343 224 E HA 0.207 4.557 4.350 -0.001 0.000 0.269 224 E C -2.141 174.459 176.600 -0.000 0.000 1.047 224 E CA -1.891 54.514 56.400 0.008 0.000 0.874 224 E CB 0.677 30.388 29.700 0.019 0.000 1.033 224 E HN 0.246 nan 8.360 nan 0.000 0.409 225 P HA -0.019 nan 4.420 nan 0.000 0.270 225 P C -2.265 175.025 177.300 -0.016 0.000 1.223 225 P CA -1.114 61.980 63.100 -0.010 0.000 0.785 225 P CB 0.141 31.838 31.700 -0.006 0.000 0.923 226 P HA -0.211 nan 4.420 nan 0.000 0.216 226 P C 1.738 179.013 177.300 -0.041 0.000 1.154 226 P CA 2.342 65.415 63.100 -0.044 0.000 0.865 226 P CB -0.624 31.044 31.700 -0.053 0.000 0.789 227 G N 0.093 108.877 108.800 -0.026 0.000 2.513 227 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.219 227 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.219 227 G C 1.689 176.587 174.900 -0.003 0.000 1.160 227 G CA 1.269 46.361 45.100 -0.013 0.000 0.767 227 G HN 0.374 nan 8.290 nan 0.000 0.571 228 A N 0.361 123.182 122.820 0.002 0.000 1.933 228 A HA 0.021 4.340 4.320 -0.001 0.000 0.218 228 A C 2.457 180.051 177.584 0.017 0.000 1.175 228 A CA 1.772 53.817 52.037 0.013 0.000 0.628 228 A CB -0.346 18.664 19.000 0.016 0.000 0.814 228 A HN 0.360 nan 8.150 nan 0.000 0.444 229 R N -0.768 119.735 120.500 0.005 0.000 2.119 229 R HA 0.085 4.425 4.340 -0.001 0.000 0.222 229 R C 2.387 178.691 176.300 0.007 0.000 1.088 229 R CA 0.970 57.077 56.100 0.012 0.000 0.984 229 R CB -0.333 29.961 30.300 -0.009 0.000 0.884 229 R HN 0.498 nan 8.270 nan 0.000 0.447 230 A N 0.758 123.550 122.820 -0.046 0.000 1.933 230 A HA -0.117 4.203 4.320 -0.001 0.000 0.218 230 A C 1.791 179.384 177.584 0.015 0.000 1.175 230 A CA 1.212 53.177 52.037 -0.120 0.000 0.628 230 A CB -0.094 18.821 19.000 -0.142 0.000 0.814 230 A HN 0.063 nan 8.150 nan 0.000 0.444 231 R N -0.504 120.020 120.500 0.040 0.000 2.237 231 R HA 0.052 4.391 4.340 -0.001 0.000 0.195 231 R C 2.024 178.348 176.300 0.041 0.000 0.956 231 R CA 1.204 57.332 56.100 0.047 0.000 1.029 231 R CB -1.183 29.127 30.300 0.017 0.000 0.972 231 R HN 0.520 nan 8.270 nan 0.000 0.493 232 V N 0.048 119.992 119.914 0.050 0.000 2.324 232 V HA -0.189 3.930 4.120 -0.001 0.000 0.250 232 V C 2.474 178.567 176.094 -0.002 0.000 1.060 232 V CA 1.840 64.154 62.300 0.023 0.000 1.042 232 V CB -1.423 30.421 31.823 0.034 0.000 0.650 232 V HN 0.161 nan 8.190 nan 0.000 0.450 233 A N 0.885 123.723 122.820 0.028 0.000 1.948 233 A HA -0.167 4.152 4.320 -0.001 0.000 0.220 233 A C 2.279 179.812 177.584 -0.084 0.000 1.177 233 A CA 2.415 54.415 52.037 -0.062 0.000 0.636 233 A CB -0.691 18.224 19.000 -0.140 0.000 0.815 233 A HN 0.583 nan 8.150 nan 0.000 0.449 234 L N -1.048 120.147 121.223 -0.046 0.000 2.046 234 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 234 L C 2.824 179.637 176.870 -0.095 0.000 1.077 234 L CA 1.745 56.532 54.840 -0.090 0.000 0.747 234 L CB -1.193 40.780 42.059 -0.144 0.000 0.896 234 L HN 0.360 nan 8.230 nan 0.000 0.432 235 T N -0.010 114.496 114.554 -0.080 0.000 2.607 235 T HA -0.188 4.161 4.350 -0.001 0.000 0.267 235 T C 1.862 176.529 174.700 -0.055 0.000 1.049 235 T CA 1.630 63.690 62.100 -0.067 0.000 1.162 235 T CB -0.780 68.060 68.868 -0.046 0.000 0.863 235 T HN 0.567 nan 8.240 nan 0.000 0.424 236 G N 1.358 110.125 108.800 -0.056 0.000 2.440 236 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.218 236 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.218 236 G C 1.561 176.441 174.900 -0.034 0.000 1.154 236 G CA 1.053 46.125 45.100 -0.045 0.000 0.767 236 G HN 0.442 nan 8.290 nan 0.000 0.552 237 L N 0.986 122.172 121.223 -0.062 0.000 2.042 237 L HA -0.045 4.294 4.340 -0.001 0.000 0.210 237 L C 2.884 179.736 176.870 -0.029 0.000 1.076 237 L CA 2.718 57.524 54.840 -0.056 0.000 0.749 237 L CB -0.934 41.072 42.059 -0.088 0.000 0.893 237 L HN 0.198 nan 8.230 nan 0.000 0.432 238 T N 0.087 114.617 114.554 -0.041 0.000 2.788 238 T HA -0.151 4.198 4.350 -0.001 0.000 0.268 238 T C 1.956 176.640 174.700 -0.026 0.000 1.044 238 T CA 1.973 64.052 62.100 -0.035 0.000 1.139 238 T CB -0.390 68.444 68.868 -0.058 0.000 0.867 238 T HN 0.367 nan 8.240 nan 0.000 0.454 239 I N 1.343 121.897 120.570 -0.026 0.000 2.252 239 I HA -0.134 4.035 4.170 -0.001 0.000 0.245 239 I C 2.935 179.075 176.117 0.038 0.000 1.102 239 I CA 1.123 62.404 61.300 -0.032 0.000 1.385 239 I CB -0.497 37.515 38.000 0.021 0.000 1.064 239 I HN 0.196 nan 8.210 nan 0.000 0.414 240 A N 0.385 123.273 122.820 0.112 0.000 2.014 240 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 240 A C 2.180 179.854 177.584 0.150 0.000 1.163 240 A CA 1.207 53.365 52.037 0.202 0.000 0.652 240 A CB -0.433 18.631 19.000 0.107 0.000 0.808 240 A HN 0.426 nan 8.150 nan 0.000 0.449 241 E N -1.558 118.684 120.200 0.070 0.000 2.072 241 E HA -0.199 4.150 4.350 -0.001 0.000 0.191 241 E C 1.808 178.444 176.600 0.060 0.000 0.985 241 E CA 1.332 57.762 56.400 0.050 0.000 0.801 241 E CB -0.296 29.420 29.700 0.028 0.000 0.750 241 E HN 0.774 nan 8.360 nan 0.000 0.452 242 Y N 0.459 120.697 120.300 -0.103 0.000 2.224 242 Y HA -0.235 4.314 4.550 -0.001 0.000 0.289 242 Y C 1.785 177.615 175.900 -0.116 0.000 1.146 242 Y CA 1.339 59.342 58.100 -0.161 0.000 1.182 242 Y CB -0.193 38.095 38.460 -0.285 0.000 0.983 242 Y HN -0.054 nan 8.280 nan 0.000 0.524 243 F N 0.049 120.039 119.950 0.067 0.000 2.171 243 F HA -0.144 4.383 4.527 -0.001 0.000 0.300 243 F C 2.698 178.451 175.800 -0.077 0.000 1.090 243 F CA 1.777 59.785 58.000 0.013 0.000 1.293 243 F CB -0.850 38.232 39.000 0.137 0.000 1.013 243 F HN -0.026 nan 8.300 nan 0.000 0.486 244 R N 0.535 121.103 120.500 0.113 0.000 2.062 244 R HA -0.148 4.191 4.340 -0.001 0.000 0.231 244 R C 1.721 177.989 176.300 -0.052 0.000 1.136 244 R CA 2.121 58.231 56.100 0.017 0.000 0.948 244 R CB -0.395 29.911 30.300 0.010 0.000 0.845 244 R HN 0.122 nan 8.270 nan 0.000 0.430 245 D N -0.459 119.884 120.400 -0.095 0.000 2.194 245 D HA -0.104 4.535 4.640 -0.001 0.000 0.204 245 D C 1.423 177.602 176.300 -0.203 0.000 0.964 245 D CA 1.114 55.043 54.000 -0.119 0.000 0.846 245 D CB 0.152 40.908 40.800 -0.073 0.000 0.962 245 D HN 0.335 nan 8.370 nan 0.000 0.490 246 E N -0.078 119.879 120.200 -0.404 0.000 2.413 246 E HA 0.044 4.393 4.350 -0.001 0.000 0.203 246 E C 1.326 177.770 176.600 -0.260 0.000 0.957 246 E CA 0.223 56.357 56.400 -0.444 0.000 0.950 246 E CB 0.555 29.680 29.700 -0.958 0.000 0.957 246 E HN 0.090 nan 8.360 nan 0.000 0.497 247 E N -0.900 119.191 120.200 -0.181 0.000 2.447 247 E HA 0.153 4.503 4.350 -0.001 0.000 0.204 247 E C 0.758 177.336 176.600 -0.036 0.000 0.977 247 E CA 0.467 56.844 56.400 -0.037 0.000 0.950 247 E CB 0.971 30.742 29.700 0.120 0.000 0.975 247 E HN 0.273 nan 8.360 nan 0.000 0.496 248 G N 2.608 111.378 108.800 -0.049 0.000 2.160 248 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.251 248 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.251 248 G C 0.072 174.946 174.900 -0.043 0.000 1.008 248 G CA 0.379 45.453 45.100 -0.044 0.000 0.724 248 G HN 0.229 nan 8.290 nan 0.000 0.514 249 Q N 0.148 119.924 119.800 -0.040 0.000 2.259 249 Q HA 0.358 4.698 4.340 -0.001 0.000 0.246 249 Q C -0.602 175.360 176.000 -0.063 0.000 0.920 249 Q CA -0.584 55.173 55.803 -0.077 0.000 0.895 249 Q CB 0.852 29.512 28.738 -0.129 0.000 1.220 249 Q HN 0.258 nan 8.270 nan 0.000 0.439 250 D N 2.046 122.395 120.400 -0.085 0.000 2.336 250 D HA 0.176 4.815 4.640 -0.001 0.000 0.249 250 D C -0.819 175.412 176.300 -0.115 0.000 1.213 250 D CA 0.079 54.016 54.000 -0.105 0.000 0.870 250 D CB 0.969 41.676 40.800 -0.155 0.000 1.076 250 D HN 0.097 nan 8.370 nan 0.000 0.483 251 V N 3.338 123.204 119.914 -0.080 0.000 2.581 251 V HA 0.358 4.477 4.120 -0.001 0.000 0.303 251 V C 0.516 176.561 176.094 -0.081 0.000 1.041 251 V CA -0.903 61.368 62.300 -0.049 0.000 0.907 251 V CB 2.040 33.893 31.823 0.050 0.000 0.994 251 V HN 0.335 nan 8.190 nan 0.000 0.442 252 L N 4.479 125.656 121.223 -0.077 0.000 2.312 252 L HA 0.561 4.901 4.340 -0.001 0.000 0.281 252 L C -0.673 176.085 176.870 -0.187 0.000 1.070 252 L CA -0.501 54.223 54.840 -0.194 0.000 0.805 252 L CB 1.532 43.477 42.059 -0.191 0.000 1.174 252 L HN 0.494 nan 8.230 nan 0.000 0.434 253 L N 3.617 124.632 121.223 -0.347 0.000 2.372 253 L HA 0.504 4.844 4.340 -0.001 0.000 0.273 253 L C -1.276 175.345 176.870 -0.415 0.000 0.989 253 L CA 0.118 54.809 54.840 -0.249 0.000 0.841 253 L CB 1.108 43.066 42.059 -0.169 0.000 1.225 253 L HN 0.187 nan 8.230 nan 0.000 0.414 254 F N 6.006 125.871 119.950 -0.141 0.000 2.405 254 F HA 0.531 5.057 4.527 -0.001 0.000 0.355 254 F C 0.137 175.655 175.800 -0.470 0.000 1.121 254 F CA -0.269 57.578 58.000 -0.255 0.000 1.112 254 F CB 1.070 39.970 39.000 -0.167 0.000 1.126 254 F HN 0.263 nan 8.300 nan 0.000 0.481 255 I N 3.336 123.763 120.570 -0.239 0.000 2.382 255 I HA 0.255 4.424 4.170 -0.001 0.000 0.286 255 I C -1.018 174.960 176.117 -0.231 0.000 1.002 255 I CA -0.355 60.775 61.300 -0.283 0.000 1.135 255 I CB 1.449 39.302 38.000 -0.245 0.000 1.288 255 I HN 0.440 nan 8.210 nan 0.000 0.448 256 D N 6.533 126.764 120.400 -0.282 0.000 2.402 256 D HA 0.240 4.879 4.640 -0.001 0.000 0.252 256 D C -1.272 175.032 176.300 0.007 0.000 1.294 256 D CA -0.329 53.612 54.000 -0.098 0.000 0.948 256 D CB 1.020 41.789 40.800 -0.052 0.000 1.202 256 D HN 0.338 nan 8.370 nan 0.000 0.561 257 N N 3.725 122.459 118.700 0.057 0.000 2.319 257 N HA 0.222 4.961 4.740 -0.001 0.000 0.305 257 N C 0.668 176.232 175.510 0.090 0.000 1.103 257 N CA -0.549 52.549 53.050 0.080 0.000 0.815 257 N CB 1.789 40.366 38.487 0.150 0.000 1.288 257 N HN 0.334 nan 8.380 nan 0.000 0.493 258 I N 2.813 123.427 120.570 0.073 0.000 2.493 258 I HA -0.074 4.095 4.170 -0.001 0.000 0.254 258 I C 1.706 177.967 176.117 0.240 0.000 1.160 258 I CA 0.822 62.166 61.300 0.074 0.000 1.445 258 I CB -0.437 37.547 38.000 -0.027 0.000 1.086 258 I HN 0.603 nan 8.210 nan 0.000 0.433 259 F N 1.548 121.583 119.950 0.142 0.000 2.171 259 F HA -0.152 4.374 4.527 -0.001 0.000 0.300 259 F C 2.396 178.316 175.800 0.200 0.000 1.090 259 F CA 1.584 59.707 58.000 0.205 0.000 1.293 259 F CB -0.446 38.714 39.000 0.267 0.000 1.013 259 F HN -0.050 nan 8.300 nan 0.000 0.486 260 R N -0.855 119.619 120.500 -0.043 0.000 2.235 260 R HA -0.128 4.211 4.340 -0.001 0.000 0.213 260 R C 2.145 178.401 176.300 -0.073 0.000 1.059 260 R CA 1.292 57.285 56.100 -0.179 0.000 0.997 260 R CB -0.729 29.555 30.300 -0.026 0.000 0.884 260 R HN 0.479 nan 8.270 nan 0.000 0.462 261 F N 1.059 120.943 119.950 -0.110 0.000 2.187 261 F HA -0.075 4.451 4.527 -0.001 0.000 0.295 261 F C 2.025 177.785 175.800 -0.067 0.000 1.091 261 F CA 1.206 59.163 58.000 -0.072 0.000 1.308 261 F CB -0.224 38.748 39.000 -0.048 0.000 1.030 261 F HN -0.215 nan 8.300 nan 0.000 0.487 262 T N 0.718 115.301 114.554 0.049 0.000 2.652 262 T HA -0.206 4.143 4.350 -0.001 0.000 0.267 262 T C 1.853 176.483 174.700 -0.116 0.000 1.039 262 T CA 1.628 63.711 62.100 -0.027 0.000 1.153 262 T CB -0.306 68.666 68.868 0.175 0.000 0.863 262 T HN 0.245 nan 8.240 nan 0.000 0.428 263 Q N 0.747 120.383 119.800 -0.273 0.000 2.096 263 Q HA -0.037 4.303 4.340 -0.001 0.000 0.204 263 Q C 2.674 178.547 176.000 -0.213 0.000 0.982 263 Q CA 1.794 57.421 55.803 -0.294 0.000 0.850 263 Q CB -0.890 27.555 28.738 -0.489 0.000 0.901 263 Q HN 0.589 nan 8.270 nan 0.000 0.422 264 A N 0.324 123.013 122.820 -0.218 0.000 1.902 264 A HA -0.071 4.248 4.320 -0.001 0.000 0.217 264 A C 2.342 179.807 177.584 -0.198 0.000 1.181 264 A CA 1.784 53.713 52.037 -0.180 0.000 0.623 264 A CB -1.021 17.884 19.000 -0.158 0.000 0.818 264 A HN 0.459 nan 8.150 nan 0.000 0.443 265 G N -1.143 107.484 108.800 -0.288 0.000 2.422 265 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.218 265 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.218 265 G C 1.872 176.688 174.900 -0.140 0.000 1.146 265 G CA 1.361 46.303 45.100 -0.263 0.000 0.769 265 G HN 0.518 nan 8.290 nan 0.000 0.547 266 S N 0.057 115.692 115.700 -0.109 0.000 2.382 266 S HA -0.080 4.389 4.470 -0.001 0.000 0.228 266 S C 2.257 176.800 174.600 -0.094 0.000 1.027 266 S CA 1.664 59.821 58.200 -0.072 0.000 0.991 266 S CB -0.201 62.939 63.200 -0.100 0.000 0.823 266 S HN 0.595 nan 8.310 nan 0.000 0.469 267 E N -0.004 120.130 120.200 -0.109 0.000 2.107 267 E HA -0.070 4.280 4.350 -0.001 0.000 0.191 267 E C 2.108 178.665 176.600 -0.072 0.000 0.982 267 E CA 1.235 57.579 56.400 -0.093 0.000 0.809 267 E CB -0.093 29.551 29.700 -0.094 0.000 0.756 267 E HN 0.345 nan 8.360 nan 0.000 0.459 268 V N 0.690 120.559 119.914 -0.074 0.000 2.307 268 V HA -0.242 3.877 4.120 -0.001 0.000 0.245 268 V C 2.374 178.441 176.094 -0.045 0.000 1.045 268 V CA 1.742 64.008 62.300 -0.057 0.000 1.024 268 V CB -0.457 31.329 31.823 -0.062 0.000 0.651 268 V HN 0.219 nan 8.190 nan 0.000 0.449 269 S N -0.388 115.283 115.700 -0.048 0.000 2.374 269 S HA -0.237 4.232 4.470 -0.001 0.000 0.227 269 S C 2.159 176.741 174.600 -0.030 0.000 1.037 269 S CA 1.693 59.873 58.200 -0.033 0.000 1.024 269 S CB -0.381 62.804 63.200 -0.024 0.000 0.861 269 S HN 0.641 nan 8.310 nan 0.000 0.456 270 A N 1.020 123.816 122.820 -0.040 0.000 1.877 270 A HA 0.016 4.335 4.320 -0.001 0.000 0.216 270 A C 2.122 179.687 177.584 -0.032 0.000 1.186 270 A CA 1.334 53.347 52.037 -0.039 0.000 0.620 270 A CB -0.726 18.241 19.000 -0.055 0.000 0.822 270 A HN 0.547 nan 8.150 nan 0.000 0.443 271 L N -0.725 120.478 121.223 -0.033 0.000 2.141 271 L HA -0.081 4.258 4.340 -0.001 0.000 0.209 271 L C 2.077 178.936 176.870 -0.018 0.000 1.094 271 L CA 0.648 55.473 54.840 -0.025 0.000 0.763 271 L CB -0.346 41.697 42.059 -0.026 0.000 0.908 271 L HN 0.340 nan 8.230 nan 0.000 0.437 272 L N -0.430 120.783 121.223 -0.017 0.000 2.599 272 L HA 0.085 4.425 4.340 -0.001 0.000 0.230 272 L C 1.387 178.252 176.870 -0.009 0.000 1.141 272 L CA 0.600 55.433 54.840 -0.011 0.000 0.877 272 L CB -0.374 41.678 42.059 -0.012 0.000 1.009 272 L HN 0.502 nan 8.230 nan 0.000 0.447 273 G N 0.510 109.303 108.800 -0.011 0.000 2.131 273 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.223 273 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.223 273 G C 0.199 175.094 174.900 -0.007 0.000 0.990 273 G CA -0.414 44.681 45.100 -0.009 0.000 0.671 273 G HN 0.358 nan 8.290 nan 0.000 0.521 274 R N -0.338 120.157 120.500 -0.008 0.000 2.441 274 R HA 0.531 4.871 4.340 -0.001 0.000 0.284 274 R C 0.600 176.899 176.300 -0.002 0.000 1.070 274 R CA -0.597 55.501 56.100 -0.004 0.000 1.047 274 R CB 0.968 31.266 30.300 -0.003 0.000 1.016 274 R HN 0.272 nan 8.270 nan 0.000 0.477 275 I N 4.693 125.265 120.570 0.003 0.000 2.587 275 I HA 0.028 4.197 4.170 -0.001 0.000 0.284 275 I C -1.770 174.355 176.117 0.013 0.000 1.134 275 I CA -1.556 59.747 61.300 0.006 0.000 1.410 275 I CB 0.325 38.331 38.000 0.010 0.000 1.392 275 I HN 0.273 nan 8.210 nan 0.000 0.545 276 P HA 0.021 nan 4.420 nan 0.000 0.266 276 P C -0.094 177.234 177.300 0.046 0.000 1.195 276 P CA -0.010 63.102 63.100 0.020 0.000 0.768 276 P CB 0.768 32.465 31.700 -0.004 0.000 0.838 277 S N 2.220 117.967 115.700 0.079 0.000 2.546 277 S HA 0.540 5.009 4.470 -0.001 0.000 0.265 277 S C 0.041 174.723 174.600 0.137 0.000 1.190 277 S CA -0.250 58.011 58.200 0.101 0.000 1.014 277 S CB -0.162 63.108 63.200 0.118 0.000 1.087 277 S HN 0.524 nan 8.310 nan 0.000 0.525 278 A N 0.153 123.070 122.820 0.162 0.000 2.567 278 A HA 0.345 4.664 4.320 -0.001 0.000 0.240 278 A C 0.396 178.204 177.584 0.373 0.000 1.053 278 A CA 0.466 52.631 52.037 0.214 0.000 0.755 278 A CB -1.287 17.816 19.000 0.172 0.000 0.978 278 A HN 1.522 nan 8.150 nan 0.000 0.507 279 F N 1.155 121.181 119.950 0.128 0.000 2.953 279 F HA -0.272 4.255 4.527 -0.001 0.000 0.292 279 F C 1.430 177.261 175.800 0.051 0.000 0.747 279 F CA 1.925 60.009 58.000 0.139 0.000 1.222 279 F CB -0.974 38.179 39.000 0.256 0.000 1.457 279 F HN 2.114 nan 8.300 nan 0.000 0.383 280 G N -1.768 107.021 108.800 -0.018 0.000 2.234 280 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.235 280 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.235 280 G C 0.354 175.171 174.900 -0.138 0.000 0.997 280 G CA -0.081 44.914 45.100 -0.175 0.000 0.623 280 G HN 0.644 nan 8.290 nan 0.000 0.514 281 Y N 2.913 123.250 120.300 0.062 0.000 2.426 281 Y HA 0.359 4.909 4.550 -0.001 0.000 0.344 281 Y C 1.590 177.509 175.900 0.032 0.000 1.256 281 Y CA 0.268 58.405 58.100 0.061 0.000 1.451 281 Y CB 0.403 38.934 38.460 0.119 0.000 1.342 281 Y HN 0.463 nan 8.280 nan 0.000 0.600 282 Q N 3.487 123.396 119.800 0.182 0.000 2.479 282 Q HA -0.006 4.334 4.340 -0.001 0.000 0.267 282 Q C -2.232 173.829 176.000 0.102 0.000 1.071 282 Q CA -1.312 54.546 55.803 0.092 0.000 0.935 282 Q CB 0.374 29.144 28.738 0.053 0.000 1.295 282 Q HN 0.402 nan 8.270 nan 0.000 0.476 283 P HA -0.023 nan 4.420 nan 0.000 0.241 283 P C 0.518 177.849 177.300 0.052 0.000 1.191 283 P CA 0.902 64.038 63.100 0.060 0.000 0.771 283 P CB 0.040 31.764 31.700 0.041 0.000 0.929 284 T N -3.636 110.946 114.554 0.047 0.000 3.134 284 T HA 0.138 4.487 4.350 -0.001 0.000 0.260 284 T C 1.407 176.139 174.700 0.053 0.000 1.027 284 T CA -0.332 61.792 62.100 0.041 0.000 0.913 284 T CB -0.646 68.235 68.868 0.023 0.000 1.046 284 T HN -0.142 nan 8.240 nan 0.000 0.553 285 L N 2.083 123.347 121.223 0.069 0.000 2.034 285 L HA -0.110 4.230 4.340 -0.001 0.000 0.217 285 L C 2.607 179.531 176.870 0.090 0.000 1.077 285 L CA 2.376 57.262 54.840 0.077 0.000 0.769 285 L CB -0.964 41.139 42.059 0.072 0.000 0.890 285 L HN 0.374 nan 8.230 nan 0.000 0.435 286 A N -1.561 121.312 122.820 0.087 0.000 1.897 286 A HA -0.150 4.170 4.320 -0.001 0.000 0.215 286 A C 2.310 179.968 177.584 0.124 0.000 1.181 286 A CA 2.022 54.128 52.037 0.114 0.000 0.620 286 A CB -1.253 17.803 19.000 0.092 0.000 0.821 286 A HN 0.626 nan 8.150 nan 0.000 0.443 287 T N -2.024 112.585 114.554 0.091 0.000 2.904 287 T HA -0.113 4.236 4.350 -0.001 0.000 0.267 287 T C 1.284 176.038 174.700 0.091 0.000 1.059 287 T CA 1.383 63.533 62.100 0.083 0.000 1.137 287 T CB -0.407 68.495 68.868 0.057 0.000 0.879 287 T HN 0.328 nan 8.240 nan 0.000 0.467 288 D N 0.953 121.409 120.400 0.094 0.000 2.097 288 D HA -0.022 4.617 4.640 -0.001 0.000 0.195 288 D C 1.940 178.375 176.300 0.224 0.000 0.989 288 D CA 1.003 55.075 54.000 0.120 0.000 0.827 288 D CB -0.403 40.422 40.800 0.042 0.000 0.966 288 D HN 0.284 nan 8.370 nan 0.000 0.456 289 M N 0.875 120.595 119.600 0.199 0.000 2.086 289 M HA 0.003 4.482 4.480 -0.001 0.000 0.261 289 M C 2.022 178.274 176.300 -0.079 0.000 1.067 289 M CA 1.792 57.168 55.300 0.126 0.000 1.116 289 M CB -0.937 31.736 32.600 0.122 0.000 1.348 289 M HN 0.009 nan 8.290 nan 0.000 0.407 290 G N 0.076 108.891 108.800 0.025 0.000 2.440 290 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.218 290 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.218 290 G C 1.567 176.468 174.900 0.002 0.000 1.154 290 G CA 1.193 46.312 45.100 0.033 0.000 0.767 290 G HN 0.506 nan 8.290 nan 0.000 0.552 291 L N -0.431 120.821 121.223 0.047 0.000 2.131 291 L HA -0.035 4.304 4.340 -0.001 0.000 0.210 291 L C 2.633 179.518 176.870 0.025 0.000 1.092 291 L CA 0.545 55.420 54.840 0.058 0.000 0.759 291 L CB -0.244 41.876 42.059 0.101 0.000 0.903 291 L HN 0.299 nan 8.230 nan 0.000 0.435 292 L N -1.178 120.035 121.223 -0.017 0.000 2.121 292 L HA -0.077 4.262 4.340 -0.001 0.000 0.200 292 L C 2.515 179.275 176.870 -0.182 0.000 1.077 292 L CA 1.530 56.296 54.840 -0.123 0.000 0.766 292 L CB -0.703 41.183 42.059 -0.288 0.000 0.931 292 L HN 0.086 nan 8.230 nan 0.000 0.452 293 Q N 0.280 119.920 119.800 -0.266 0.000 2.124 293 Q HA -0.177 4.162 4.340 -0.001 0.000 0.202 293 Q C 2.013 177.930 176.000 -0.137 0.000 0.977 293 Q CA 1.436 57.063 55.803 -0.292 0.000 0.850 293 Q CB -0.396 27.967 28.738 -0.625 0.000 0.901 293 Q HN 0.613 nan 8.270 nan 0.000 0.429 294 E N 0.350 120.504 120.200 -0.076 0.000 2.472 294 E HA -0.111 4.238 4.350 -0.001 0.000 0.200 294 E C 1.724 178.313 176.600 -0.018 0.000 1.046 294 E CA 0.383 56.781 56.400 -0.004 0.000 0.871 294 E CB 0.057 29.777 29.700 0.034 0.000 0.806 294 E HN 0.325 nan 8.360 nan 0.000 0.533 295 R N -0.072 120.401 120.500 -0.044 0.000 2.156 295 R HA 0.167 4.506 4.340 -0.001 0.000 0.207 295 R C 0.876 177.145 176.300 -0.052 0.000 1.040 295 R CA 0.029 56.106 56.100 -0.039 0.000 1.013 295 R CB 0.221 30.497 30.300 -0.041 0.000 0.931 295 R HN 0.036 nan 8.270 nan 0.000 0.465 296 I N 1.812 122.336 120.570 -0.076 0.000 2.576 296 I HA -0.027 4.142 4.170 -0.001 0.000 0.288 296 I C 0.328 176.406 176.117 -0.066 0.000 1.126 296 I CA 0.777 62.026 61.300 -0.085 0.000 1.362 296 I CB 0.618 38.546 38.000 -0.120 0.000 1.419 296 I HN 0.021 nan 8.210 nan 0.000 0.533 297 T N 3.134 117.652 114.554 -0.060 0.000 2.686 297 T HA 0.246 4.596 4.350 -0.001 0.000 0.308 297 T C -0.847 173.820 174.700 -0.054 0.000 1.667 297 T CA -0.651 61.417 62.100 -0.053 0.000 0.987 297 T CB 1.177 70.021 68.868 -0.041 0.000 1.652 297 T HN 0.400 nan 8.240 nan 0.000 0.496 298 T N 2.818 117.339 114.554 -0.055 0.000 2.771 298 T HA 0.607 4.957 4.350 -0.001 0.000 0.291 298 T C 0.441 175.109 174.700 -0.053 0.000 0.954 298 T CA -0.466 61.601 62.100 -0.054 0.000 1.045 298 T CB 0.838 69.672 68.868 -0.056 0.000 0.917 298 T HN 0.847 nan 8.240 nan 0.000 0.484 299 T N 0.033 114.559 114.554 -0.046 0.000 2.919 299 T HA 0.463 4.812 4.350 -0.001 0.000 0.282 299 T C 1.054 175.729 174.700 -0.041 0.000 1.020 299 T CA -1.148 60.926 62.100 -0.043 0.000 0.994 299 T CB 1.500 70.347 68.868 -0.035 0.000 1.180 299 T HN 0.388 nan 8.240 nan 0.000 0.566 300 K N -0.144 120.234 120.400 -0.038 0.000 2.362 300 K HA 0.022 4.342 4.320 -0.001 0.000 0.200 300 K C 2.009 178.590 176.600 -0.032 0.000 1.046 300 K CA 0.483 56.750 56.287 -0.034 0.000 0.952 300 K CB 0.031 32.513 32.500 -0.029 0.000 0.753 300 K HN 0.334 nan 8.250 nan 0.000 0.466 301 K N 0.046 120.426 120.400 -0.033 0.000 2.186 301 K HA 0.015 4.334 4.320 -0.001 0.000 0.202 301 K C 1.053 177.632 176.600 -0.036 0.000 1.052 301 K CA 0.895 57.160 56.287 -0.035 0.000 0.965 301 K CB 0.737 33.213 32.500 -0.040 0.000 0.746 301 K HN 0.316 nan 8.250 nan 0.000 0.457 302 G N -0.416 108.362 108.800 -0.037 0.000 2.441 302 G HA2 0.066 4.025 3.960 -0.001 0.000 0.222 302 G HA3 0.066 4.025 3.960 -0.001 0.000 0.222 302 G C -1.564 173.309 174.900 -0.044 0.000 1.254 302 G CA -0.045 45.031 45.100 -0.039 0.000 0.959 302 G HN 0.184 nan 8.290 nan 0.000 0.474 303 S N -1.426 114.245 115.700 -0.048 0.000 2.548 303 S HA 0.618 5.087 4.470 -0.001 0.000 0.278 303 S C -1.188 173.378 174.600 -0.057 0.000 1.150 303 S CA -0.445 57.722 58.200 -0.056 0.000 0.907 303 S CB 1.591 64.750 63.200 -0.069 0.000 1.108 303 S HN 1.433 nan 8.310 nan 0.000 0.459 304 V N 2.690 122.570 119.914 -0.057 0.000 2.432 304 V HA 0.594 4.713 4.120 -0.001 0.000 0.275 304 V C 0.044 176.074 176.094 -0.106 0.000 1.043 304 V CA -0.089 62.169 62.300 -0.069 0.000 0.925 304 V CB 1.451 33.239 31.823 -0.058 0.000 0.985 304 V HN 1.025 nan 8.190 nan 0.000 0.466 305 T N 3.780 118.250 114.554 -0.140 0.000 2.809 305 T HA 0.351 4.701 4.350 -0.001 0.000 0.284 305 T C -0.256 174.289 174.700 -0.259 0.000 0.992 305 T CA -0.246 61.746 62.100 -0.180 0.000 0.957 305 T CB 1.395 70.164 68.868 -0.164 0.000 0.942 305 T HN 0.644 nan 8.240 nan 0.000 0.439 306 S N 2.606 118.141 115.700 -0.276 0.000 2.475 306 S HA 0.669 5.138 4.470 -0.001 0.000 0.298 306 S C -0.481 173.887 174.600 -0.387 0.000 1.119 306 S CA -0.567 57.430 58.200 -0.338 0.000 1.085 306 S CB 0.652 63.693 63.200 -0.265 0.000 1.028 306 S HN 0.463 nan 8.310 nan 0.000 0.489 307 V N 5.801 125.425 119.914 -0.483 0.000 2.357 307 V HA 0.455 4.575 4.120 -0.001 0.000 0.284 307 V C -0.506 175.497 176.094 -0.152 0.000 1.018 307 V CA -0.496 61.613 62.300 -0.319 0.000 0.841 307 V CB 1.363 33.041 31.823 -0.241 0.000 0.991 307 V HN 0.875 nan 8.190 nan 0.000 0.437 308 Q N 3.353 123.074 119.800 -0.131 0.000 2.327 308 Q HA 0.674 5.014 4.340 -0.001 0.000 0.270 308 Q C -0.207 175.735 176.000 -0.097 0.000 1.022 308 Q CA -0.545 55.185 55.803 -0.121 0.000 0.773 308 Q CB 2.339 30.974 28.738 -0.171 0.000 1.251 308 Q HN 0.873 nan 8.270 nan 0.000 0.457 309 A N 2.582 125.377 122.820 -0.042 0.000 2.488 309 A HA 0.387 4.706 4.320 -0.001 0.000 0.249 309 A C -0.183 177.338 177.584 -0.105 0.000 1.083 309 A CA -0.138 51.868 52.037 -0.051 0.000 0.768 309 A CB 0.345 19.371 19.000 0.042 0.000 1.017 309 A HN 0.505 nan 8.150 nan 0.000 0.496 310 V N 3.563 123.306 119.914 -0.285 0.000 2.448 310 V HA 0.289 4.408 4.120 -0.001 0.000 0.295 310 V C -0.699 175.280 176.094 -0.191 0.000 1.025 310 V CA -0.454 61.688 62.300 -0.264 0.000 0.859 310 V CB 1.268 32.791 31.823 -0.499 0.000 0.988 310 V HN 0.798 nan 8.190 nan 0.000 0.431 311 Y N 4.579 124.819 120.300 -0.100 0.000 2.330 311 Y HA 0.643 5.193 4.550 -0.001 0.000 0.336 311 Y C -0.283 175.497 175.900 -0.200 0.000 1.036 311 Y CA -0.627 57.392 58.100 -0.136 0.000 1.125 311 Y CB 1.747 40.138 38.460 -0.115 0.000 1.194 311 Y HN 0.392 nan 8.280 nan 0.000 0.469 312 V N 9.083 128.602 119.914 -0.658 0.000 2.328 312 V HA 0.321 4.440 4.120 -0.001 0.000 0.278 312 V C -2.227 173.400 176.094 -0.778 0.000 1.021 312 V CA -2.120 59.885 62.300 -0.491 0.000 0.838 312 V CB 0.912 32.641 31.823 -0.156 0.000 0.999 312 V HN 0.731 nan 8.190 nan 0.000 0.447 313 P HA 0.165 nan 4.420 nan 0.000 0.263 313 P C 0.671 177.880 177.300 -0.153 0.000 1.195 313 P CA 0.673 63.602 63.100 -0.285 0.000 0.762 313 P CB 0.732 32.424 31.700 -0.013 0.000 0.799 314 A N 4.005 126.768 122.820 -0.094 0.000 2.799 314 A HA -0.285 4.034 4.320 -0.001 0.000 0.274 314 A C 0.971 178.509 177.584 -0.077 0.000 1.393 314 A CA 1.288 53.301 52.037 -0.040 0.000 0.909 314 A CB -2.476 16.535 19.000 0.018 0.000 1.012 314 A HN 0.663 nan 8.150 nan 0.000 0.653 315 D N -1.448 118.868 120.400 -0.140 0.000 2.837 315 D HA -0.197 4.443 4.640 -0.001 0.000 0.230 315 D C -0.235 176.004 176.300 -0.102 0.000 1.152 315 D CA 1.798 55.727 54.000 -0.118 0.000 0.736 315 D CB -0.952 39.801 40.800 -0.078 0.000 1.084 315 D HN 0.907 nan 8.370 nan 0.000 0.429 316 D N 0.558 120.891 120.400 -0.111 0.000 2.479 316 D HA 0.213 4.852 4.640 -0.001 0.000 0.218 316 D C 1.500 177.719 176.300 -0.134 0.000 1.131 316 D CA -0.452 53.480 54.000 -0.113 0.000 0.916 316 D CB 0.122 40.855 40.800 -0.111 0.000 1.022 316 D HN 0.148 nan 8.370 nan 0.000 0.515 317 L N 2.360 123.488 121.223 -0.158 0.000 2.549 317 L HA -0.103 4.237 4.340 -0.001 0.000 0.230 317 L C 2.179 178.917 176.870 -0.221 0.000 1.162 317 L CA 1.367 56.068 54.840 -0.232 0.000 0.834 317 L CB -0.358 41.512 42.059 -0.315 0.000 0.947 317 L HN 0.465 nan 8.230 nan 0.000 0.452 318 T N -5.390 109.062 114.554 -0.169 0.000 3.037 318 T HA -0.041 4.309 4.350 -0.001 0.000 0.252 318 T C 0.881 175.492 174.700 -0.148 0.000 1.073 318 T CA -0.415 61.594 62.100 -0.151 0.000 1.091 318 T CB -0.136 68.651 68.868 -0.135 0.000 0.935 318 T HN 0.178 nan 8.240 nan 0.000 0.488 319 D N 3.965 124.268 120.400 -0.162 0.000 2.586 319 D HA -0.023 4.616 4.640 -0.001 0.000 0.234 319 D C -1.043 175.188 176.300 -0.114 0.000 1.132 319 D CA -1.120 52.786 54.000 -0.158 0.000 0.860 319 D CB 1.376 42.138 40.800 -0.062 0.000 1.159 319 D HN 0.098 nan 8.370 nan 0.000 0.490 320 P HA -0.250 nan 4.420 nan 0.000 0.218 320 P C 1.044 178.200 177.300 -0.240 0.000 1.150 320 P CA 1.828 64.814 63.100 -0.191 0.000 0.841 320 P CB 0.050 31.615 31.700 -0.226 0.000 0.784 321 A N 1.267 123.883 122.820 -0.339 0.000 1.834 321 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 321 A C 0.149 177.798 177.584 0.107 0.000 1.203 321 A CA 2.646 54.627 52.037 -0.094 0.000 0.621 321 A CB -2.216 16.933 19.000 0.250 0.000 0.841 321 A HN 0.227 nan 8.150 nan 0.000 0.446 322 P HA -0.133 nan 4.420 nan 0.000 0.216 322 P C 1.665 179.115 177.300 0.250 0.000 1.153 322 P CA 2.070 65.322 63.100 0.253 0.000 0.848 322 P CB -0.296 31.497 31.700 0.156 0.000 0.787 323 A N 0.109 122.960 122.820 0.053 0.000 1.903 323 A HA -0.222 4.098 4.320 -0.001 0.000 0.219 323 A C 2.343 179.995 177.584 0.113 0.000 1.191 323 A CA 2.971 55.023 52.037 0.025 0.000 0.638 323 A CB -2.022 16.953 19.000 -0.041 0.000 0.823 323 A HN 0.239 nan 8.150 nan 0.000 0.451 324 T N -0.593 114.023 114.554 0.104 0.000 2.904 324 T HA -0.071 4.278 4.350 -0.001 0.000 0.267 324 T C 1.947 176.795 174.700 0.246 0.000 1.059 324 T CA 1.722 63.907 62.100 0.141 0.000 1.137 324 T CB -0.450 68.480 68.868 0.104 0.000 0.879 324 T HN 0.588 nan 8.240 nan 0.000 0.467 325 T N 1.652 116.359 114.554 0.256 0.000 2.777 325 T HA 0.026 4.375 4.350 -0.001 0.000 0.266 325 T C 1.538 176.379 174.700 0.235 0.000 1.040 325 T CA 0.811 63.056 62.100 0.242 0.000 1.141 325 T CB -0.479 68.510 68.868 0.200 0.000 0.868 325 T HN 0.252 nan 8.240 nan 0.000 0.444 326 F N 1.826 121.835 119.950 0.099 0.000 2.216 326 F HA 0.070 4.597 4.527 -0.001 0.000 0.300 326 F C 2.574 178.397 175.800 0.038 0.000 1.085 326 F CA 0.457 58.505 58.000 0.080 0.000 1.326 326 F CB -0.684 38.355 39.000 0.066 0.000 1.027 326 F HN 0.130 nan 8.300 nan 0.000 0.497 327 A N -1.312 121.609 122.820 0.168 0.000 2.076 327 A HA -0.202 4.117 4.320 -0.001 0.000 0.220 327 A C 1.687 179.163 177.584 -0.180 0.000 1.160 327 A CA 1.652 53.668 52.037 -0.034 0.000 0.653 327 A CB -0.842 18.082 19.000 -0.126 0.000 0.801 327 A HN 0.488 nan 8.150 nan 0.000 0.455 328 H N -1.528 117.556 119.070 0.024 0.000 2.652 328 H HA 0.329 4.885 4.556 -0.001 0.000 0.274 328 H C -0.161 175.132 175.328 -0.059 0.000 1.021 328 H CA -0.111 55.925 56.048 -0.020 0.000 1.187 328 H CB 0.190 29.933 29.762 -0.033 0.000 1.505 328 H HN 0.321 nan 8.280 nan 0.000 0.530 329 L N 1.204 122.435 121.223 0.013 0.000 2.312 329 L HA 0.139 4.478 4.340 -0.001 0.000 0.281 329 L C 0.867 177.711 176.870 -0.043 0.000 1.070 329 L CA -0.205 54.596 54.840 -0.066 0.000 0.805 329 L CB 1.441 43.387 42.059 -0.188 0.000 1.174 329 L HN 0.021 nan 8.230 nan 0.000 0.434 330 D N 1.578 121.945 120.400 -0.056 0.000 2.388 330 D HA 0.260 4.900 4.640 -0.001 0.000 0.208 330 D C 0.284 176.572 176.300 -0.021 0.000 1.035 330 D CA 0.490 54.469 54.000 -0.034 0.000 0.875 330 D CB 1.358 42.132 40.800 -0.043 0.000 0.984 330 D HN 0.584 nan 8.370 nan 0.000 0.508 331 A N 0.195 122.992 122.820 -0.038 0.000 2.601 331 A HA 0.577 4.896 4.320 -0.001 0.000 0.291 331 A C -0.856 176.723 177.584 -0.008 0.000 1.075 331 A CA -0.558 51.481 52.037 0.004 0.000 0.671 331 A CB 1.588 20.623 19.000 0.058 0.000 1.277 331 A HN -0.017 nan 8.150 nan 0.000 0.417 332 T N -1.587 112.993 114.554 0.044 0.000 2.900 332 T HA 0.763 5.112 4.350 -0.001 0.000 0.295 332 T C -0.767 174.010 174.700 0.128 0.000 1.044 332 T CA -0.485 61.663 62.100 0.081 0.000 0.995 332 T CB 1.800 70.672 68.868 0.006 0.000 1.072 332 T HN 0.726 nan 8.240 nan 0.000 0.473 333 T N 2.373 117.038 114.554 0.184 0.000 2.815 333 T HA 0.519 4.868 4.350 -0.001 0.000 0.289 333 T C -0.506 174.255 174.700 0.102 0.000 1.000 333 T CA -0.523 61.665 62.100 0.146 0.000 0.958 333 T CB 0.985 69.983 68.868 0.217 0.000 0.944 333 T HN 0.657 nan 8.240 nan 0.000 0.442 334 V N 6.046 125.978 119.914 0.030 0.000 2.294 334 V HA 0.377 4.497 4.120 -0.001 0.000 0.272 334 V C 0.061 176.154 176.094 -0.000 0.000 1.027 334 V CA -0.743 61.577 62.300 0.033 0.000 0.823 334 V CB 0.434 32.221 31.823 -0.059 0.000 1.030 334 V HN 0.735 nan 8.190 nan 0.000 0.457 335 L N 3.948 125.175 121.223 0.006 0.000 2.326 335 L HA 0.638 4.978 4.340 -0.001 0.000 0.278 335 L C 0.421 177.308 176.870 0.029 0.000 1.092 335 L CA 0.310 55.141 54.840 -0.015 0.000 0.810 335 L CB 1.540 43.580 42.059 -0.032 0.000 1.153 335 L HN 0.661 nan 8.230 nan 0.000 0.439 336 S N 1.698 117.406 115.700 0.014 0.000 2.547 336 S HA 0.390 4.859 4.470 -0.001 0.000 0.281 336 S C 0.853 175.457 174.600 0.007 0.000 1.118 336 S CA -0.987 57.223 58.200 0.018 0.000 0.947 336 S CB 1.445 64.650 63.200 0.008 0.000 1.053 336 S HN 0.667 nan 8.310 nan 0.000 0.482 337 R N 3.228 123.739 120.500 0.019 0.000 2.105 337 R HA -0.058 4.281 4.340 -0.001 0.000 0.239 337 R C 2.014 178.311 176.300 -0.004 0.000 1.135 337 R CA 1.783 57.891 56.100 0.013 0.000 0.967 337 R CB -1.563 28.753 30.300 0.027 0.000 0.861 337 R HN 0.711 nan 8.270 nan 0.000 0.442 338 G N 2.068 110.867 108.800 -0.002 0.000 2.432 338 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.219 338 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.219 338 G C 1.452 176.343 174.900 -0.014 0.000 1.135 338 G CA 0.428 45.524 45.100 -0.006 0.000 0.767 338 G HN 0.173 nan 8.290 nan 0.000 0.550 339 I N 0.840 121.397 120.570 -0.022 0.000 2.703 339 I HA 0.017 4.187 4.170 -0.001 0.000 0.259 339 I C 2.743 178.808 176.117 -0.086 0.000 1.151 339 I CA 0.934 62.214 61.300 -0.032 0.000 1.470 339 I CB -0.777 37.210 38.000 -0.021 0.000 1.112 339 I HN 0.228 nan 8.210 nan 0.000 0.437 340 S N 1.224 116.857 115.700 -0.111 0.000 2.348 340 S HA -0.215 4.254 4.470 -0.001 0.000 0.221 340 S C 1.879 176.392 174.600 -0.146 0.000 1.033 340 S CA 1.643 59.721 58.200 -0.204 0.000 1.010 340 S CB -0.121 63.005 63.200 -0.122 0.000 0.891 340 S HN 0.426 nan 8.310 nan 0.000 0.442 341 E N 0.458 120.620 120.200 -0.063 0.000 2.267 341 E HA -0.072 4.277 4.350 -0.001 0.000 0.197 341 E C 1.836 178.418 176.600 -0.029 0.000 0.998 341 E CA 1.015 57.397 56.400 -0.029 0.000 0.830 341 E CB -0.188 29.506 29.700 -0.011 0.000 0.751 341 E HN 0.517 nan 8.360 nan 0.000 0.491 342 L N -1.209 119.992 121.223 -0.037 0.000 2.395 342 L HA 0.081 4.420 4.340 -0.001 0.000 0.218 342 L C 1.437 178.288 176.870 -0.033 0.000 1.130 342 L CA 0.553 55.377 54.840 -0.026 0.000 0.826 342 L CB 0.040 42.094 42.059 -0.008 0.000 0.941 342 L HN 0.344 nan 8.230 nan 0.000 0.451 343 G N 0.154 108.929 108.800 -0.042 0.000 2.138 343 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.193 343 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.193 343 G C 0.037 175.002 174.900 0.108 0.000 0.998 343 G CA -0.653 44.459 45.100 0.021 0.000 0.668 343 G HN 0.086 nan 8.290 nan 0.000 0.516 344 I N 1.323 121.879 120.570 -0.024 0.000 2.297 344 I HA 0.447 4.616 4.170 -0.001 0.000 0.291 344 I C -0.375 175.660 176.117 -0.136 0.000 1.033 344 I CA -1.153 60.174 61.300 0.045 0.000 1.253 344 I CB 0.256 38.292 38.000 0.060 0.000 1.396 344 I HN 0.043 nan 8.210 nan 0.000 0.476 345 Y N 7.908 128.243 120.300 0.058 0.000 2.335 345 Y HA 0.422 4.971 4.550 -0.001 0.000 0.338 345 Y C -1.927 173.866 175.900 -0.178 0.000 0.977 345 Y CA -2.372 55.703 58.100 -0.041 0.000 1.114 345 Y CB 1.616 40.030 38.460 -0.077 0.000 1.182 345 Y HN 0.413 nan 8.280 nan 0.000 0.463 346 P HA 0.128 nan 4.420 nan 0.000 0.274 346 P C -0.533 176.846 177.300 0.131 0.000 1.256 346 P CA -0.336 62.921 63.100 0.263 0.000 0.795 346 P CB 1.043 33.075 31.700 0.553 0.000 1.038 347 A N 1.356 124.227 122.820 0.086 0.000 2.929 347 A HA 0.261 4.580 4.320 -0.001 0.000 0.279 347 A C 0.431 178.013 177.584 -0.005 0.000 1.418 347 A CA -0.350 51.673 52.037 -0.023 0.000 1.035 347 A CB -1.122 17.835 19.000 -0.071 0.000 1.047 347 A HN 0.317 nan 8.150 nan 0.000 0.609 348 V N 1.203 121.130 119.914 0.021 0.000 2.585 348 V HA 0.021 4.141 4.120 -0.001 0.000 0.296 348 V C 0.275 176.375 176.094 0.011 0.000 1.035 348 V CA -0.107 62.194 62.300 0.002 0.000 1.084 348 V CB 1.104 32.955 31.823 0.046 0.000 0.953 348 V HN 0.580 nan 8.190 nan 0.000 0.483 349 D N 7.676 128.075 120.400 -0.001 0.000 2.365 349 D HA 0.229 4.868 4.640 -0.001 0.000 0.237 349 D C -1.411 174.890 176.300 0.003 0.000 1.190 349 D CA -2.097 51.904 54.000 0.001 0.000 0.867 349 D CB 1.715 42.509 40.800 -0.010 0.000 1.050 349 D HN 0.278 nan 8.370 nan 0.000 0.491 350 P HA 0.010 nan 4.420 nan 0.000 0.241 350 P C 1.087 178.386 177.300 -0.001 0.000 1.191 350 P CA 0.351 63.455 63.100 0.006 0.000 0.771 350 P CB 0.490 32.199 31.700 0.014 0.000 0.929 351 L N -1.333 119.891 121.223 0.000 0.000 2.664 351 L HA 0.252 4.591 4.340 -0.001 0.000 0.233 351 L C 1.911 178.770 176.870 -0.019 0.000 1.113 351 L CA 0.377 55.213 54.840 -0.005 0.000 0.896 351 L CB -0.002 42.060 42.059 0.004 0.000 1.163 351 L HN -0.139 nan 8.230 nan 0.000 0.497 352 D N -0.697 119.687 120.400 -0.026 0.000 2.463 352 D HA 0.086 4.726 4.640 -0.001 0.000 0.237 352 D C 0.440 176.702 176.300 -0.064 0.000 1.013 352 D CA 0.261 54.230 54.000 -0.052 0.000 0.910 352 D CB 0.716 41.479 40.800 -0.063 0.000 1.080 352 D HN 0.083 nan 8.370 nan 0.000 0.498 353 S N 1.407 117.085 115.700 -0.037 0.000 2.498 353 S HA 0.187 4.656 4.470 -0.001 0.000 0.281 353 S C 0.043 174.642 174.600 -0.002 0.000 1.265 353 S CA 0.195 58.386 58.200 -0.016 0.000 1.071 353 S CB 1.317 64.532 63.200 0.024 0.000 0.894 353 S HN 0.067 nan 8.310 nan 0.000 0.491 354 K N 1.452 121.853 120.400 0.000 0.000 2.328 354 K HA 0.639 4.959 4.320 -0.001 0.000 0.246 354 K C -0.648 175.974 176.600 0.035 0.000 0.955 354 K CA -0.510 55.784 56.287 0.013 0.000 0.817 354 K CB 1.992 34.494 32.500 0.003 0.000 1.208 354 K HN 0.469 nan 8.250 nan 0.000 0.432 355 S N 0.768 116.491 115.700 0.038 0.000 2.614 355 S HA 0.272 4.741 4.470 -0.001 0.000 0.288 355 S C 0.300 174.921 174.600 0.035 0.000 1.137 355 S CA -0.685 57.542 58.200 0.045 0.000 0.992 355 S CB 1.201 64.438 63.200 0.061 0.000 1.026 355 S HN 0.682 nan 8.310 nan 0.000 0.486 356 R N 2.853 123.370 120.500 0.028 0.000 2.200 356 R HA 0.076 4.416 4.340 -0.001 0.000 0.234 356 R C 1.030 177.339 176.300 0.016 0.000 1.127 356 R CA 1.139 57.252 56.100 0.021 0.000 0.989 356 R CB -0.152 30.155 30.300 0.012 0.000 0.869 356 R HN 0.639 nan 8.270 nan 0.000 0.459 357 L N 0.687 121.917 121.223 0.012 0.000 2.611 357 L HA 0.078 4.418 4.340 -0.001 0.000 0.229 357 L C 0.224 177.084 176.870 -0.016 0.000 1.137 357 L CA -0.203 54.633 54.840 -0.006 0.000 0.901 357 L CB 0.081 42.133 42.059 -0.012 0.000 1.098 357 L HN 0.094 nan 8.230 nan 0.000 0.456 358 L N 1.673 122.907 121.223 0.018 0.000 2.404 358 L HA 0.289 4.628 4.340 -0.001 0.000 0.277 358 L C -0.744 176.236 176.870 0.184 0.000 1.184 358 L CA 0.550 55.420 54.840 0.050 0.000 1.013 358 L CB -0.333 41.751 42.059 0.040 0.000 1.318 358 L HN -0.015 nan 8.230 nan 0.000 0.435 359 D N 2.160 122.648 120.400 0.147 0.000 2.966 359 D HA 0.337 4.976 4.640 -0.001 0.000 0.222 359 D C 0.703 176.950 176.300 -0.088 0.000 1.292 359 D CA 0.134 54.153 54.000 0.033 0.000 0.907 359 D CB 2.080 42.866 40.800 -0.024 0.000 1.621 359 D HN 0.313 nan 8.370 nan 0.000 0.557 360 A N 3.118 125.692 122.820 -0.411 0.000 2.042 360 A HA -0.057 4.262 4.320 -0.001 0.000 0.222 360 A C 1.979 179.478 177.584 -0.141 0.000 1.167 360 A CA 2.462 54.309 52.037 -0.317 0.000 0.649 360 A CB -0.484 18.209 19.000 -0.512 0.000 0.809 360 A HN 0.643 nan 8.150 nan 0.000 0.457 361 A N -1.010 121.730 122.820 -0.134 0.000 1.872 361 A HA 0.110 4.429 4.320 -0.001 0.000 0.214 361 A C 2.235 179.787 177.584 -0.054 0.000 1.187 361 A CA 1.650 53.639 52.037 -0.080 0.000 0.614 361 A CB -0.695 18.261 19.000 -0.074 0.000 0.826 361 A HN 0.360 nan 8.150 nan 0.000 0.442 362 V N -0.075 119.806 119.914 -0.055 0.000 2.302 362 V HA -0.141 3.978 4.120 -0.001 0.000 0.243 362 V C 2.498 178.562 176.094 -0.051 0.000 1.036 362 V CA 1.945 64.216 62.300 -0.047 0.000 1.020 362 V CB -0.193 31.601 31.823 -0.049 0.000 0.657 362 V HN 0.561 nan 8.190 nan 0.000 0.453 363 V N -1.871 117.997 119.914 -0.077 0.000 3.590 363 V HA 0.648 4.767 4.120 -0.001 0.000 0.265 363 V C 0.882 176.987 176.094 0.019 0.000 1.239 363 V CA 0.274 62.504 62.300 -0.117 0.000 1.117 363 V CB -0.783 30.758 31.823 -0.470 0.000 0.818 363 V HN 0.837 nan 8.190 nan 0.000 0.451 364 G N 0.551 109.370 108.800 0.032 0.000 2.785 364 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.686 364 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.686 364 G C -0.149 174.821 174.900 0.118 0.000 1.155 364 G CA 0.226 45.366 45.100 0.067 0.000 0.760 364 G HN 0.426 nan 8.290 nan 0.000 0.624 365 Q N 0.018 119.870 119.800 0.087 0.000 2.135 365 Q HA -0.095 4.245 4.340 -0.001 0.000 0.204 365 Q C 2.458 178.558 176.000 0.166 0.000 0.981 365 Q CA 2.607 58.480 55.803 0.117 0.000 0.856 365 Q CB -0.081 28.697 28.738 0.067 0.000 0.902 365 Q HN 0.706 nan 8.270 nan 0.000 0.425 366 E N -0.587 119.693 120.200 0.134 0.000 2.049 366 E HA -0.241 4.108 4.350 -0.001 0.000 0.198 366 E C 1.946 178.640 176.600 0.156 0.000 1.007 366 E CA 1.402 57.876 56.400 0.123 0.000 0.809 366 E CB -0.458 29.297 29.700 0.092 0.000 0.749 366 E HN 0.527 nan 8.360 nan 0.000 0.450 367 H N -0.236 118.883 119.070 0.082 0.000 2.319 367 H HA -0.176 4.379 4.556 -0.001 0.000 0.299 367 H C 2.056 177.432 175.328 0.080 0.000 1.092 367 H CA 1.840 57.928 56.048 0.067 0.000 1.302 367 H CB -0.517 29.282 29.762 0.062 0.000 1.373 367 H HN 0.232 nan 8.280 nan 0.000 0.497 368 Y N 1.407 121.825 120.300 0.196 0.000 2.181 368 Y HA -0.172 4.377 4.550 -0.001 0.000 0.288 368 Y C 2.064 178.015 175.900 0.085 0.000 1.146 368 Y CA 1.956 60.120 58.100 0.107 0.000 1.164 368 Y CB -0.177 38.310 38.460 0.045 0.000 0.982 368 Y HN 0.168 nan 8.280 nan 0.000 0.515 369 D N -0.596 119.914 120.400 0.183 0.000 2.117 369 D HA -0.176 4.463 4.640 -0.001 0.000 0.197 369 D C 2.369 178.674 176.300 0.007 0.000 0.987 369 D CA 1.614 55.666 54.000 0.085 0.000 0.829 369 D CB -0.404 40.473 40.800 0.128 0.000 0.961 369 D HN 0.274 nan 8.370 nan 0.000 0.460 370 V N 1.187 121.120 119.914 0.032 0.000 2.237 370 V HA -0.258 3.862 4.120 -0.001 0.000 0.245 370 V C 2.497 178.575 176.094 -0.027 0.000 1.046 370 V CA 1.974 64.287 62.300 0.022 0.000 1.007 370 V CB -0.979 30.859 31.823 0.025 0.000 0.638 370 V HN 0.214 nan 8.190 nan 0.000 0.445 371 A N -0.226 122.559 122.820 -0.058 0.000 1.940 371 A HA -0.238 4.081 4.320 -0.001 0.000 0.219 371 A C 2.461 179.960 177.584 -0.141 0.000 1.176 371 A CA 2.458 54.435 52.037 -0.098 0.000 0.631 371 A CB -0.756 18.219 19.000 -0.043 0.000 0.814 371 A HN 0.541 nan 8.150 nan 0.000 0.446 372 S N -0.296 115.264 115.700 -0.234 0.000 2.356 372 S HA -0.072 4.397 4.470 -0.001 0.000 0.223 372 S C 2.446 176.981 174.600 -0.109 0.000 1.032 372 S CA 1.962 60.015 58.200 -0.246 0.000 1.005 372 S CB -0.467 62.496 63.200 -0.395 0.000 0.867 372 S HN 0.853 nan 8.310 nan 0.000 0.449 373 K N 1.308 121.669 120.400 -0.065 0.000 2.057 373 K HA 0.053 4.372 4.320 -0.001 0.000 0.206 373 K C 2.222 178.824 176.600 0.002 0.000 1.050 373 K CA 1.480 57.758 56.287 -0.015 0.000 0.935 373 K CB -1.521 30.985 32.500 0.010 0.000 0.715 373 K HN 0.261 nan 8.250 nan 0.000 0.439 374 V N 1.743 121.662 119.914 0.007 0.000 2.282 374 V HA -0.399 3.721 4.120 -0.001 0.000 0.249 374 V C 2.789 178.890 176.094 0.012 0.000 1.057 374 V CA 2.492 64.810 62.300 0.031 0.000 1.032 374 V CB -0.632 31.203 31.823 0.019 0.000 0.645 374 V HN 0.693 nan 8.190 nan 0.000 0.447 375 Q N -0.181 119.608 119.800 -0.017 0.000 1.975 375 Q HA -0.232 4.107 4.340 -0.001 0.000 0.205 375 Q C 2.549 178.552 176.000 0.005 0.000 0.990 375 Q CA 2.334 58.130 55.803 -0.012 0.000 0.845 375 Q CB -0.529 28.187 28.738 -0.037 0.000 0.913 375 Q HN 0.813 nan 8.270 nan 0.000 0.420 376 E N 0.559 120.757 120.200 -0.004 0.000 2.171 376 E HA -0.216 4.133 4.350 -0.001 0.000 0.197 376 E C 1.881 178.497 176.600 0.026 0.000 0.997 376 E CA 1.832 58.237 56.400 0.008 0.000 0.810 376 E CB -1.254 28.447 29.700 0.001 0.000 0.738 376 E HN 0.419 nan 8.360 nan 0.000 0.467 377 T N 0.476 115.047 114.554 0.028 0.000 2.668 377 T HA -0.007 4.342 4.350 -0.001 0.000 0.262 377 T C 2.138 176.883 174.700 0.074 0.000 1.045 377 T CA 1.264 63.387 62.100 0.038 0.000 1.152 377 T CB -0.289 68.591 68.868 0.019 0.000 0.864 377 T HN 0.368 nan 8.240 nan 0.000 0.419 378 L N 0.895 122.162 121.223 0.074 0.000 2.275 378 L HA -0.089 4.251 4.340 -0.001 0.000 0.215 378 L C 2.742 179.696 176.870 0.140 0.000 1.119 378 L CA 0.899 55.818 54.840 0.132 0.000 0.790 378 L CB -0.370 41.746 42.059 0.094 0.000 0.919 378 L HN 0.212 nan 8.230 nan 0.000 0.443 379 Q N 0.076 119.923 119.800 0.079 0.000 2.062 379 Q HA -0.146 4.193 4.340 -0.001 0.000 0.196 379 Q C 2.276 178.306 176.000 0.050 0.000 0.967 379 Q CA 2.318 58.150 55.803 0.049 0.000 0.832 379 Q CB -0.332 28.420 28.738 0.025 0.000 0.899 379 Q HN 0.536 nan 8.270 nan 0.000 0.442 380 T N -1.528 113.064 114.554 0.063 0.000 2.833 380 T HA -0.202 4.147 4.350 -0.001 0.000 0.269 380 T C 1.653 176.408 174.700 0.091 0.000 1.054 380 T CA 1.365 63.502 62.100 0.061 0.000 1.135 380 T CB -0.733 68.170 68.868 0.059 0.000 0.869 380 T HN 0.394 nan 8.240 nan 0.000 0.466 381 Y N 2.959 123.255 120.300 -0.005 0.000 2.373 381 Y HA 0.085 4.634 4.550 -0.001 0.000 0.293 381 Y C 2.669 178.564 175.900 -0.008 0.000 1.129 381 Y CA 1.242 59.338 58.100 -0.007 0.000 1.226 381 Y CB -0.798 37.658 38.460 -0.006 0.000 1.000 381 Y HN 0.317 nan 8.280 nan 0.000 0.549 382 K N 0.090 120.429 120.400 -0.102 0.000 2.031 382 K HA -0.075 4.245 4.320 -0.001 0.000 0.205 382 K C 2.098 178.602 176.600 -0.160 0.000 1.049 382 K CA 1.625 57.808 56.287 -0.173 0.000 0.939 382 K CB -1.576 30.890 32.500 -0.058 0.000 0.717 382 K HN 0.523 nan 8.250 nan 0.000 0.438 383 S N 0.466 116.112 115.700 -0.090 0.000 2.603 383 S HA 0.099 4.569 4.470 -0.001 0.000 0.229 383 S C 1.761 176.313 174.600 -0.080 0.000 0.972 383 S CA 0.821 58.979 58.200 -0.070 0.000 0.935 383 S CB -0.229 62.949 63.200 -0.036 0.000 0.769 383 S HN 0.397 nan 8.310 nan 0.000 0.536 384 L N 0.351 121.501 121.223 -0.122 0.000 2.463 384 L HA 0.121 4.460 4.340 -0.001 0.000 0.219 384 L C 2.444 179.219 176.870 -0.158 0.000 1.088 384 L CA 0.159 54.932 54.840 -0.111 0.000 0.849 384 L CB -0.271 41.746 42.059 -0.071 0.000 1.012 384 L HN 0.185 nan 8.230 nan 0.000 0.468 385 Q N 0.419 120.068 119.800 -0.252 0.000 2.248 385 Q HA -0.233 4.106 4.340 -0.001 0.000 0.208 385 Q C 1.223 177.148 176.000 -0.125 0.000 0.984 385 Q CA 1.573 57.238 55.803 -0.230 0.000 0.875 385 Q CB -0.287 28.296 28.738 -0.259 0.000 0.910 385 Q HN 0.546 nan 8.270 nan 0.000 0.433 386 D N 0.651 120.991 120.400 -0.099 0.000 2.084 386 D HA -0.100 4.539 4.640 -0.001 0.000 0.199 386 D C 2.010 178.279 176.300 -0.051 0.000 0.981 386 D CA 1.260 55.221 54.000 -0.064 0.000 0.841 386 D CB -0.238 40.530 40.800 -0.053 0.000 0.997 386 D HN 0.450 nan 8.370 nan 0.000 0.454 387 I N -1.737 118.805 120.570 -0.047 0.000 2.928 387 I HA -0.014 4.155 4.170 -0.001 0.000 0.266 387 I C 1.603 177.703 176.117 -0.028 0.000 1.234 387 I CA 0.374 61.655 61.300 -0.032 0.000 1.483 387 I CB -0.051 37.935 38.000 -0.024 0.000 1.097 387 I HN -0.092 nan 8.210 nan 0.000 0.455 388 I N 2.421 122.968 120.570 -0.038 0.000 2.394 388 I HA -0.178 3.991 4.170 -0.001 0.000 0.251 388 I C 2.779 178.883 176.117 -0.021 0.000 1.136 388 I CA 1.578 62.863 61.300 -0.025 0.000 1.425 388 I CB -0.973 37.008 38.000 -0.032 0.000 1.079 388 I HN 0.382 nan 8.210 nan 0.000 0.425 389 A N 0.201 123.003 122.820 -0.030 0.000 2.067 389 A HA -0.016 4.303 4.320 -0.001 0.000 0.217 389 A C 2.176 179.750 177.584 -0.017 0.000 1.156 389 A CA 0.849 52.872 52.037 -0.024 0.000 0.683 389 A CB -0.202 18.781 19.000 -0.029 0.000 0.808 389 A HN 0.404 nan 8.150 nan 0.000 0.455 390 I N -1.707 118.852 120.570 -0.018 0.000 2.899 390 I HA 0.080 4.249 4.170 -0.001 0.000 0.257 390 I C 1.713 177.824 176.117 -0.010 0.000 1.115 390 I CA 0.446 61.737 61.300 -0.014 0.000 1.451 390 I CB -0.227 37.764 38.000 -0.015 0.000 1.251 390 I HN 0.055 nan 8.210 nan 0.000 0.456 391 L N 1.085 122.302 121.223 -0.010 0.000 2.599 391 L HA 0.247 4.586 4.340 -0.001 0.000 0.230 391 L C 1.268 178.136 176.870 -0.004 0.000 1.141 391 L CA 0.304 55.140 54.840 -0.006 0.000 0.877 391 L CB -0.825 41.230 42.059 -0.006 0.000 1.009 391 L HN 0.545 nan 8.230 nan 0.000 0.447 392 G N 0.252 109.049 108.800 -0.004 0.000 2.539 392 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.256 392 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.256 392 G C 0.348 175.250 174.900 0.003 0.000 1.233 392 G CA 0.397 45.497 45.100 -0.001 0.000 0.936 392 G HN 0.128 nan 8.290 nan 0.000 0.571 393 M N -1.480 118.124 119.600 0.007 0.000 2.740 393 M HA 0.170 4.650 4.480 -0.001 0.000 0.253 393 M C 1.845 178.152 176.300 0.011 0.000 1.341 393 M CA 1.350 56.657 55.300 0.012 0.000 1.176 393 M CB 0.050 32.660 32.600 0.016 0.000 1.310 393 M HN 0.490 nan 8.290 nan 0.000 0.531 394 D N 1.758 122.162 120.400 0.007 0.000 2.190 394 D HA -0.147 4.493 4.640 -0.001 0.000 0.200 394 D C 0.617 176.921 176.300 0.006 0.000 0.992 394 D CA 1.107 55.110 54.000 0.006 0.000 0.854 394 D CB -0.020 40.782 40.800 0.004 0.000 0.936 394 D HN 0.341 nan 8.370 nan 0.000 0.462 395 E N 0.283 120.486 120.200 0.005 0.000 2.545 395 E HA 0.124 4.473 4.350 -0.001 0.000 0.271 395 E C -0.098 176.506 176.600 0.007 0.000 1.508 395 E CA -0.053 56.350 56.400 0.004 0.000 1.774 395 E CB -0.312 29.389 29.700 0.002 0.000 1.460 395 E HN 0.351 nan 8.360 nan 0.000 0.449 396 L N 0.992 122.221 121.223 0.010 0.000 2.317 396 L HA 0.216 4.555 4.340 -0.001 0.000 0.281 396 L C 0.628 177.504 176.870 0.011 0.000 1.024 396 L CA -0.608 54.240 54.840 0.013 0.000 0.810 396 L CB 1.542 43.612 42.059 0.019 0.000 1.240 396 L HN 0.061 nan 8.230 nan 0.000 0.427 397 S N 1.142 116.849 115.700 0.011 0.000 2.632 397 S HA 0.220 4.689 4.470 -0.001 0.000 0.267 397 S C 0.876 175.481 174.600 0.009 0.000 1.276 397 S CA -0.833 57.373 58.200 0.009 0.000 0.998 397 S CB 1.347 64.552 63.200 0.009 0.000 0.953 397 S HN 0.593 nan 8.310 nan 0.000 0.547 398 E N 0.791 120.995 120.200 0.007 0.000 2.082 398 E HA -0.272 4.078 4.350 -0.001 0.000 0.215 398 E C 1.941 178.545 176.600 0.006 0.000 1.048 398 E CA 1.779 58.183 56.400 0.006 0.000 0.869 398 E CB -0.452 29.251 29.700 0.005 0.000 0.773 398 E HN 0.786 nan 8.360 nan 0.000 0.466 399 Q N 0.676 120.481 119.800 0.008 0.000 2.079 399 Q HA -0.161 4.179 4.340 -0.001 0.000 0.200 399 Q C 1.501 177.508 176.000 0.011 0.000 0.974 399 Q CA 1.763 57.571 55.803 0.009 0.000 0.840 399 Q CB -0.101 28.643 28.738 0.010 0.000 0.898 399 Q HN 0.237 nan 8.270 nan 0.000 0.430 400 D N 0.507 120.916 120.400 0.016 0.000 2.117 400 D HA -0.174 4.466 4.640 -0.001 0.000 0.198 400 D C 1.914 178.230 176.300 0.026 0.000 0.982 400 D CA 1.763 55.778 54.000 0.025 0.000 0.828 400 D CB -0.070 40.747 40.800 0.027 0.000 0.967 400 D HN 0.426 nan 8.370 nan 0.000 0.464 401 K N 0.521 120.933 120.400 0.019 0.000 2.103 401 K HA -0.161 4.159 4.320 -0.001 0.000 0.207 401 K C 1.940 178.543 176.600 0.006 0.000 1.048 401 K CA 0.993 57.290 56.287 0.016 0.000 0.930 401 K CB -0.335 32.171 32.500 0.011 0.000 0.716 401 K HN 0.152 nan 8.250 nan 0.000 0.444 402 L N 2.100 123.322 121.223 -0.000 0.000 2.127 402 L HA -0.082 4.257 4.340 -0.001 0.000 0.203 402 L C 2.426 179.280 176.870 -0.026 0.000 1.080 402 L CA 1.763 56.595 54.840 -0.012 0.000 0.768 402 L CB -0.314 41.740 42.059 -0.009 0.000 0.924 402 L HN 0.477 nan 8.230 nan 0.000 0.444 403 T N -4.226 110.319 114.554 -0.015 0.000 2.915 403 T HA -0.107 4.242 4.350 -0.001 0.000 0.269 403 T C 1.819 176.486 174.700 -0.056 0.000 1.071 403 T CA 1.153 63.237 62.100 -0.026 0.000 1.132 403 T CB -0.756 68.112 68.868 0.000 0.000 0.878 403 T HN 0.116 nan 8.240 nan 0.000 0.479 404 V N 1.689 121.593 119.914 -0.018 0.000 2.307 404 V HA -0.119 4.001 4.120 -0.001 0.000 0.245 404 V C 2.752 178.755 176.094 -0.152 0.000 1.045 404 V CA 2.009 64.296 62.300 -0.021 0.000 1.024 404 V CB -0.606 31.293 31.823 0.126 0.000 0.651 404 V HN 0.544 nan 8.190 nan 0.000 0.449 405 E N -0.409 119.738 120.200 -0.089 0.000 2.204 405 E HA -0.229 4.120 4.350 -0.001 0.000 0.194 405 E C 2.367 178.866 176.600 -0.168 0.000 0.989 405 E CA 0.945 57.282 56.400 -0.105 0.000 0.824 405 E CB 0.052 29.720 29.700 -0.055 0.000 0.756 405 E HN 0.435 nan 8.360 nan 0.000 0.477 406 R N -0.321 120.078 120.500 -0.169 0.000 2.080 406 R HA 0.029 4.368 4.340 -0.001 0.000 0.222 406 R C 2.206 178.351 176.300 -0.258 0.000 1.107 406 R CA 1.078 57.059 56.100 -0.199 0.000 0.980 406 R CB -0.164 30.062 30.300 -0.123 0.000 0.879 406 R HN 0.131 nan 8.270 nan 0.000 0.439 407 A N 1.124 123.778 122.820 -0.277 0.000 1.892 407 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 407 A C 2.114 179.454 177.584 -0.407 0.000 1.188 407 A CA 1.604 53.435 52.037 -0.344 0.000 0.631 407 A CB -0.550 18.150 19.000 -0.501 0.000 0.822 407 A HN 0.329 nan 8.150 nan 0.000 0.447 408 R N -0.708 119.495 120.500 -0.495 0.000 2.127 408 R HA -0.167 4.173 4.340 -0.001 0.000 0.238 408 R C 2.571 178.725 176.300 -0.243 0.000 1.134 408 R CA 1.953 57.846 56.100 -0.344 0.000 0.975 408 R CB -0.350 29.797 30.300 -0.256 0.000 0.865 408 R HN 0.610 nan 8.270 nan 0.000 0.447 409 K N 0.938 121.127 120.400 -0.351 0.000 2.044 409 K HA -0.027 4.292 4.320 -0.001 0.000 0.204 409 K C 1.838 178.168 176.600 -0.449 0.000 1.049 409 K CA 1.314 57.248 56.287 -0.588 0.000 0.945 409 K CB -0.687 31.134 32.500 -1.132 0.000 0.724 409 K HN 0.133 nan 8.250 nan 0.000 0.440 410 I N 0.963 121.360 120.570 -0.290 0.000 2.226 410 I HA -0.301 3.868 4.170 -0.001 0.000 0.245 410 I C 3.027 179.228 176.117 0.139 0.000 1.100 410 I CA 1.776 63.073 61.300 -0.004 0.000 1.374 410 I CB -0.164 37.876 38.000 0.065 0.000 1.057 410 I HN 0.506 nan 8.210 nan 0.000 0.413 411 Q N 1.158 120.976 119.800 0.031 0.000 2.181 411 Q HA -0.208 4.132 4.340 -0.001 0.000 0.205 411 Q C 2.158 178.243 176.000 0.141 0.000 0.980 411 Q CA 1.662 57.508 55.803 0.072 0.000 0.862 411 Q CB 0.071 28.812 28.738 0.005 0.000 0.905 411 Q HN 0.418 nan 8.270 nan 0.000 0.429 412 R N -1.403 119.189 120.500 0.153 0.000 2.254 412 R HA 0.041 4.380 4.340 -0.001 0.000 0.195 412 R C 1.421 177.965 176.300 0.407 0.000 0.957 412 R CA 0.200 56.469 56.100 0.282 0.000 1.024 412 R CB 0.134 30.591 30.300 0.261 0.000 0.952 412 R HN 0.190 nan 8.270 nan 0.000 0.484 413 F N 0.893 120.940 119.950 0.161 0.000 2.661 413 F HA 0.123 4.649 4.527 -0.001 0.000 0.298 413 F C 1.281 177.263 175.800 0.303 0.000 1.137 413 F CA 0.553 58.654 58.000 0.168 0.000 1.454 413 F CB 0.119 39.076 39.000 -0.072 0.000 1.103 413 F HN -0.078 nan 8.300 nan 0.000 0.577 414 L N -0.459 120.983 121.223 0.365 0.000 2.492 414 L HA 0.025 4.364 4.340 -0.001 0.000 0.223 414 L C 1.287 178.242 176.870 0.142 0.000 1.132 414 L CA 0.229 55.203 54.840 0.223 0.000 0.850 414 L CB -0.612 41.549 42.059 0.170 0.000 0.966 414 L HN 0.051 nan 8.230 nan 0.000 0.454 415 S N -0.371 115.428 115.700 0.165 0.000 2.617 415 S HA 0.404 4.874 4.470 -0.001 0.000 0.269 415 S C -0.353 174.253 174.600 0.010 0.000 1.292 415 S CA -0.495 57.759 58.200 0.089 0.000 1.010 415 S CB 2.086 65.367 63.200 0.136 0.000 0.944 415 S HN 0.255 nan 8.310 nan 0.000 0.536 416 Q N 0.507 120.243 119.800 -0.107 0.000 2.378 416 Q HA 0.365 4.704 4.340 -0.001 0.000 0.262 416 Q C -3.140 172.670 176.000 -0.317 0.000 0.978 416 Q CA -1.710 54.005 55.803 -0.147 0.000 0.918 416 Q CB 2.320 31.026 28.738 -0.053 0.000 1.415 416 Q HN 0.562 nan 8.270 nan 0.000 0.409 417 P HA 0.238 nan 4.420 nan 0.000 0.281 417 P C -1.049 176.223 177.300 -0.047 0.000 1.252 417 P CA -0.149 62.838 63.100 -0.187 0.000 0.778 417 P CB 0.298 31.936 31.700 -0.103 0.000 0.895 418 F N 1.739 121.660 119.950 -0.048 0.000 2.404 418 F HA 0.345 4.871 4.527 -0.001 0.000 0.345 418 F C 1.825 177.573 175.800 -0.086 0.000 1.110 418 F CA -1.202 56.757 58.000 -0.069 0.000 1.130 418 F CB 0.380 39.333 39.000 -0.078 0.000 1.129 418 F HN 0.405 nan 8.300 nan 0.000 0.500 419 A N 2.778 125.674 122.820 0.126 0.000 1.986 419 A HA -0.162 4.158 4.320 -0.001 0.000 0.220 419 A C 2.088 179.656 177.584 -0.025 0.000 1.171 419 A CA 2.384 54.433 52.037 0.021 0.000 0.640 419 A CB -1.082 17.912 19.000 -0.010 0.000 0.811 419 A HN 0.690 nan 8.150 nan 0.000 0.451 420 V N -3.145 116.740 119.914 -0.048 0.000 2.548 420 V HA 0.130 4.250 4.120 -0.001 0.000 0.249 420 V C 2.311 178.282 176.094 -0.205 0.000 1.055 420 V CA 1.561 63.784 62.300 -0.129 0.000 1.065 420 V CB -1.148 30.575 31.823 -0.168 0.000 0.681 420 V HN 0.495 nan 8.190 nan 0.000 0.462 421 A N -0.023 122.717 122.820 -0.134 0.000 2.238 421 A HA 0.067 4.386 4.320 -0.001 0.000 0.208 421 A C 2.091 179.609 177.584 -0.111 0.000 1.177 421 A CA 0.842 52.745 52.037 -0.223 0.000 0.804 421 A CB -0.514 18.417 19.000 -0.115 0.000 0.823 421 A HN 0.658 nan 8.150 nan 0.000 0.482 422 E N 0.375 120.538 120.200 -0.062 0.000 2.130 422 E HA -0.208 4.141 4.350 -0.001 0.000 0.196 422 E C 1.855 178.473 176.600 0.031 0.000 0.998 422 E CA 2.027 58.420 56.400 -0.012 0.000 0.806 422 E CB -0.254 29.438 29.700 -0.013 0.000 0.738 422 E HN 0.563 nan 8.360 nan 0.000 0.459 423 V N -1.553 118.384 119.914 0.039 0.000 2.626 423 V HA -0.146 3.973 4.120 -0.001 0.000 0.252 423 V C 1.844 178.136 176.094 0.329 0.000 1.067 423 V CA 1.259 63.648 62.300 0.147 0.000 1.081 423 V CB -0.702 31.211 31.823 0.149 0.000 0.686 423 V HN 0.141 nan 8.190 nan 0.000 0.468 424 F N 2.124 122.056 119.950 -0.029 0.000 2.664 424 F HA 0.161 4.687 4.527 -0.001 0.000 0.296 424 F C 2.397 178.173 175.800 -0.040 0.000 1.125 424 F CA 0.865 58.844 58.000 -0.036 0.000 1.444 424 F CB -0.889 38.081 39.000 -0.049 0.000 1.114 424 F HN 0.477 nan 8.300 nan 0.000 0.576 425 T N -4.882 109.759 114.554 0.145 0.000 3.138 425 T HA 0.487 4.837 4.350 -0.001 0.000 0.245 425 T C 1.946 176.671 174.700 0.041 0.000 0.982 425 T CA 0.856 62.993 62.100 0.061 0.000 1.134 425 T CB 0.403 69.278 68.868 0.011 0.000 1.032 425 T HN 0.235 nan 8.240 nan 0.000 0.442 426 G N 1.688 110.509 108.800 0.035 0.000 2.308 426 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.221 426 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.221 426 G C -0.023 174.883 174.900 0.009 0.000 1.032 426 G CA -0.154 44.960 45.100 0.023 0.000 0.623 426 G HN 0.665 nan 8.290 nan 0.000 0.506 427 I N 4.861 125.432 120.570 0.002 0.000 2.618 427 I HA 0.308 4.478 4.170 -0.001 0.000 0.284 427 I C -1.059 175.049 176.117 -0.015 0.000 1.146 427 I CA -1.666 59.626 61.300 -0.013 0.000 1.425 427 I CB 0.469 38.450 38.000 -0.032 0.000 1.383 427 I HN 0.040 nan 8.210 nan 0.000 0.562 428 P HA 0.120 nan 4.420 nan 0.000 0.270 428 P C -0.148 177.146 177.300 -0.011 0.000 1.223 428 P CA -0.323 62.770 63.100 -0.012 0.000 0.785 428 P CB 0.540 32.232 31.700 -0.014 0.000 0.923 429 G N 1.705 110.506 108.800 0.001 0.000 2.371 429 G HA2 0.484 4.443 3.960 -0.001 0.000 0.326 429 G HA3 0.484 4.443 3.960 -0.001 0.000 0.326 429 G C -0.698 174.215 174.900 0.022 0.000 1.127 429 G CA -0.536 44.578 45.100 0.024 0.000 0.885 429 G HN 0.263 nan 8.290 nan 0.000 0.477 430 K N 1.967 122.390 120.400 0.038 0.000 2.292 430 K HA 0.337 4.657 4.320 -0.001 0.000 0.257 430 K C -1.091 175.535 176.600 0.044 0.000 0.940 430 K CA -0.764 55.539 56.287 0.027 0.000 0.811 430 K CB 2.866 35.375 32.500 0.016 0.000 1.120 430 K HN 0.405 nan 8.250 nan 0.000 0.428 431 L N 3.401 124.634 121.223 0.016 0.000 2.272 431 L HA 0.251 4.591 4.340 -0.001 0.000 0.284 431 L C -0.886 175.984 176.870 -0.001 0.000 1.045 431 L CA -0.796 54.047 54.840 0.004 0.000 0.842 431 L CB 0.831 42.878 42.059 -0.020 0.000 1.224 431 L HN 0.241 nan 8.230 nan 0.000 0.430 432 V N 5.416 125.333 119.914 0.005 0.000 2.465 432 V HA 0.425 4.545 4.120 -0.001 0.000 0.279 432 V C 0.562 176.649 176.094 -0.012 0.000 1.045 432 V CA -0.738 61.561 62.300 -0.002 0.000 0.938 432 V CB 1.272 33.093 31.823 -0.005 0.000 0.986 432 V HN 0.679 nan 8.190 nan 0.000 0.467 433 R N 2.236 122.730 120.500 -0.011 0.000 2.531 433 R HA 0.254 4.593 4.340 -0.001 0.000 0.273 433 R C 1.073 177.367 176.300 -0.011 0.000 1.070 433 R CA -0.491 55.602 56.100 -0.012 0.000 1.112 433 R CB 1.079 31.372 30.300 -0.012 0.000 1.049 433 R HN 0.656 nan 8.270 nan 0.000 0.508 434 L N 3.079 124.299 121.223 -0.006 0.000 2.012 434 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 434 L C 2.061 178.914 176.870 -0.027 0.000 1.073 434 L CA 1.889 56.721 54.840 -0.014 0.000 0.748 434 L CB -0.135 41.946 42.059 0.037 0.000 0.891 434 L HN 0.485 nan 8.230 nan 0.000 0.431 435 K N -0.400 119.999 120.400 -0.001 0.000 2.103 435 K HA -0.204 4.115 4.320 -0.001 0.000 0.207 435 K C 1.798 178.406 176.600 0.013 0.000 1.048 435 K CA 1.625 57.916 56.287 0.006 0.000 0.930 435 K CB -0.453 32.056 32.500 0.014 0.000 0.716 435 K HN 0.434 nan 8.250 nan 0.000 0.444 436 D N 0.196 120.605 120.400 0.015 0.000 2.077 436 D HA -0.100 4.539 4.640 -0.001 0.000 0.193 436 D C 1.827 178.161 176.300 0.057 0.000 0.989 436 D CA 1.694 55.716 54.000 0.037 0.000 0.831 436 D CB -0.366 40.451 40.800 0.028 0.000 0.979 436 D HN 0.123 nan 8.370 nan 0.000 0.449 437 T N 0.311 114.879 114.554 0.023 0.000 2.653 437 T HA -0.155 4.195 4.350 -0.001 0.000 0.268 437 T C 2.188 176.934 174.700 0.076 0.000 1.035 437 T CA 1.495 63.618 62.100 0.038 0.000 1.154 437 T CB -0.602 68.211 68.868 -0.093 0.000 0.862 437 T HN -0.036 nan 8.240 nan 0.000 0.441 438 V N 1.770 121.644 119.914 -0.067 0.000 2.261 438 V HA -0.153 3.967 4.120 -0.001 0.000 0.246 438 V C 2.958 179.092 176.094 0.066 0.000 1.047 438 V CA 1.700 63.943 62.300 -0.095 0.000 1.015 438 V CB -1.381 30.313 31.823 -0.215 0.000 0.642 438 V HN 0.567 nan 8.190 nan 0.000 0.446 439 A N 0.056 122.919 122.820 0.072 0.000 1.865 439 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 439 A C 2.490 180.173 177.584 0.165 0.000 1.191 439 A CA 2.397 54.497 52.037 0.104 0.000 0.623 439 A CB -0.918 18.131 19.000 0.080 0.000 0.826 439 A HN 0.519 nan 8.150 nan 0.000 0.444 440 S N -0.628 115.190 115.700 0.197 0.000 2.365 440 S HA -0.179 4.290 4.470 -0.001 0.000 0.225 440 S C 1.591 176.358 174.600 0.277 0.000 1.039 440 S CA 1.817 60.167 58.200 0.249 0.000 1.033 440 S CB -0.573 62.806 63.200 0.298 0.000 0.887 440 S HN 0.529 nan 8.310 nan 0.000 0.447 441 F N 1.506 121.568 119.950 0.186 0.000 2.367 441 F HA 0.137 4.663 4.527 -0.001 0.000 0.298 441 F C 2.275 178.150 175.800 0.125 0.000 1.094 441 F CA 0.612 58.717 58.000 0.176 0.000 1.409 441 F CB -0.163 38.874 39.000 0.061 0.000 1.064 441 F HN 0.073 nan 8.300 nan 0.000 0.528 442 K N 0.460 121.013 120.400 0.254 0.000 2.148 442 K HA -0.104 4.216 4.320 -0.001 0.000 0.204 442 K C 2.172 178.861 176.600 0.149 0.000 1.050 442 K CA 1.073 57.459 56.287 0.164 0.000 0.942 442 K CB -0.146 32.426 32.500 0.120 0.000 0.724 442 K HN 0.237 nan 8.250 nan 0.000 0.446 443 A N 0.577 123.507 122.820 0.182 0.000 1.897 443 A HA -0.063 4.256 4.320 -0.001 0.000 0.215 443 A C 2.201 179.916 177.584 0.218 0.000 1.181 443 A CA 1.116 53.271 52.037 0.198 0.000 0.620 443 A CB -0.469 18.719 19.000 0.313 0.000 0.821 443 A HN 0.123 nan 8.150 nan 0.000 0.443 444 V N 0.128 120.184 119.914 0.237 0.000 2.295 444 V HA -0.270 3.850 4.120 -0.001 0.000 0.246 444 V C 2.558 178.710 176.094 0.097 0.000 1.049 444 V CA 1.984 64.392 62.300 0.180 0.000 1.024 444 V CB -0.826 31.026 31.823 0.048 0.000 0.648 444 V HN 0.561 nan 8.190 nan 0.000 0.447 445 L N -0.335 120.950 121.223 0.103 0.000 2.081 445 L HA -0.247 4.092 4.340 -0.001 0.000 0.212 445 L C 2.552 179.452 176.870 0.050 0.000 1.080 445 L CA 1.828 56.713 54.840 0.075 0.000 0.754 445 L CB -0.445 41.671 42.059 0.095 0.000 0.893 445 L HN 0.407 nan 8.230 nan 0.000 0.433 446 E N -1.035 119.197 120.200 0.053 0.000 2.285 446 E HA -0.028 4.321 4.350 -0.001 0.000 0.194 446 E C 1.287 177.892 176.600 0.008 0.000 0.997 446 E CA 0.642 57.059 56.400 0.029 0.000 0.845 446 E CB 0.159 29.876 29.700 0.028 0.000 0.782 446 E HN 0.558 nan 8.360 nan 0.000 0.491 447 G N 1.069 109.874 108.800 0.008 0.000 2.148 447 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.157 447 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.157 447 G C 0.642 175.509 174.900 -0.055 0.000 1.012 447 G CA 0.037 45.130 45.100 -0.011 0.000 0.677 447 G HN 0.096 nan 8.290 nan 0.000 0.506 448 K N -0.770 119.570 120.400 -0.101 0.000 2.486 448 K HA 0.226 4.545 4.320 -0.001 0.000 0.194 448 K C 0.269 176.519 176.600 -0.584 0.000 1.033 448 K CA 0.698 56.784 56.287 -0.334 0.000 1.004 448 K CB 0.053 32.304 32.500 -0.415 0.000 0.798 448 K HN 0.509 nan 8.250 nan 0.000 0.495 449 Y N -0.611 119.704 120.300 0.026 0.000 2.734 449 Y HA 0.126 4.676 4.550 -0.001 0.000 0.251 449 Y C -0.020 175.937 175.900 0.095 0.000 1.049 449 Y CA -0.763 57.376 58.100 0.064 0.000 1.103 449 Y CB 0.537 39.062 38.460 0.109 0.000 1.201 449 Y HN -0.051 nan 8.280 nan 0.000 0.618 450 D N 0.139 120.606 120.400 0.113 0.000 2.347 450 D HA -0.066 4.573 4.640 -0.001 0.000 0.215 450 D C 0.763 177.107 176.300 0.073 0.000 0.976 450 D CA 0.866 54.905 54.000 0.065 0.000 0.884 450 D CB 0.011 40.819 40.800 0.014 0.000 0.915 450 D HN 0.460 nan 8.370 nan 0.000 0.526 451 N N 0.375 119.124 118.700 0.082 0.000 2.321 451 N HA 0.047 4.787 4.740 -0.001 0.000 0.242 451 N C -0.426 175.136 175.510 0.086 0.000 1.141 451 N CA -0.127 52.961 53.050 0.063 0.000 0.864 451 N CB 0.504 39.007 38.487 0.026 0.000 1.100 451 N HN -0.020 nan 8.380 nan 0.000 0.510 452 I N 2.025 122.686 120.570 0.151 0.000 2.362 452 I HA 0.367 4.536 4.170 -0.001 0.000 0.289 452 I C -2.173 174.057 176.117 0.189 0.000 0.994 452 I CA -2.350 59.020 61.300 0.117 0.000 1.158 452 I CB 1.499 39.514 38.000 0.025 0.000 1.315 452 I HN -0.079 nan 8.210 nan 0.000 0.451 453 P HA 0.136 nan 4.420 nan 0.000 0.268 453 P C 0.659 178.089 177.300 0.217 0.000 1.205 453 P CA -0.045 63.133 63.100 0.130 0.000 0.771 453 P CB 1.196 32.945 31.700 0.081 0.000 0.858 454 E N 1.065 121.396 120.200 0.218 0.000 2.082 454 E HA -0.333 4.016 4.350 -0.001 0.000 0.215 454 E C 1.666 178.475 176.600 0.348 0.000 1.048 454 E CA 1.836 58.399 56.400 0.272 0.000 0.869 454 E CB -0.642 29.124 29.700 0.110 0.000 0.773 454 E HN 0.629 nan 8.360 nan 0.000 0.466 455 H N -0.043 119.102 119.070 0.125 0.000 2.538 455 H HA -0.093 4.462 4.556 -0.001 0.000 0.294 455 H C 1.516 176.913 175.328 0.115 0.000 1.083 455 H CA 1.289 57.410 56.048 0.122 0.000 1.233 455 H CB -0.161 29.643 29.762 0.070 0.000 1.360 455 H HN 0.225 nan 8.280 nan 0.000 0.571 456 A N -1.027 121.774 122.820 -0.033 0.000 2.072 456 A HA 0.034 4.354 4.320 -0.001 0.000 0.216 456 A C 1.769 179.124 177.584 -0.382 0.000 1.156 456 A CA 0.555 52.416 52.037 -0.293 0.000 0.701 456 A CB -0.595 18.154 19.000 -0.417 0.000 0.816 456 A HN 0.368 nan 8.150 nan 0.000 0.458 457 F N -2.024 117.842 119.950 -0.139 0.000 2.512 457 F HA 0.127 4.653 4.527 -0.001 0.000 0.296 457 F C 0.891 176.755 175.800 0.108 0.000 1.110 457 F CA 0.072 57.963 58.000 -0.182 0.000 1.446 457 F CB -0.265 38.599 39.000 -0.227 0.000 1.092 457 F HN 0.295 nan 8.300 nan 0.000 0.554 458 Y N 1.536 121.936 120.300 0.166 0.000 2.377 458 Y HA 0.257 4.806 4.550 -0.001 0.000 0.330 458 Y C 0.658 176.614 175.900 0.095 0.000 1.108 458 Y CA -1.598 56.602 58.100 0.167 0.000 1.308 458 Y CB 0.249 38.844 38.460 0.225 0.000 1.216 458 Y HN 0.046 nan 8.280 nan 0.000 0.518 459 M N 5.691 125.047 119.600 -0.408 0.000 2.253 459 M HA -0.164 4.316 4.480 -0.001 0.000 0.195 459 M C -1.197 175.003 176.300 -0.166 0.000 0.512 459 M CA 0.950 56.008 55.300 -0.402 0.000 0.442 459 M CB -2.779 29.428 32.600 -0.655 0.000 1.189 459 M HN 0.423 nan 8.290 nan 0.000 0.923 460 V N -3.573 116.324 119.914 -0.029 0.000 3.102 460 V HA 1.057 5.176 4.120 -0.001 0.000 0.312 460 V C 0.784 176.924 176.094 0.076 0.000 1.135 460 V CA -0.300 62.007 62.300 0.011 0.000 1.022 460 V CB 1.552 33.372 31.823 -0.006 0.000 1.056 460 V HN 0.399 nan 8.190 nan 0.000 0.436 461 G N 0.701 109.531 108.800 0.051 0.000 3.224 461 G HA2 0.517 4.477 3.960 -0.001 0.000 0.161 461 G HA3 0.517 4.477 3.960 -0.001 0.000 0.161 461 G C 0.503 175.459 174.900 0.094 0.000 1.872 461 G CA -0.106 45.023 45.100 0.049 0.000 1.012 461 G HN 1.424 nan 8.290 nan 0.000 0.504 462 G N -1.042 107.797 108.800 0.065 0.000 2.444 462 G HA2 0.369 4.329 3.960 -0.001 0.000 0.268 462 G HA3 0.369 4.329 3.960 -0.001 0.000 0.268 462 G C 0.957 175.916 174.900 0.099 0.000 1.203 462 G CA -0.079 45.072 45.100 0.086 0.000 0.835 462 G HN 0.500 nan 8.290 nan 0.000 0.543 463 I N 0.571 121.228 120.570 0.145 0.000 2.247 463 I HA -0.356 3.813 4.170 -0.001 0.000 0.249 463 I C 2.394 178.433 176.117 -0.131 0.000 1.027 463 I CA 2.201 63.506 61.300 0.007 0.000 1.316 463 I CB -0.083 37.915 38.000 -0.002 0.000 1.007 463 I HN 0.780 nan 8.210 nan 0.000 0.430 464 E N -0.406 119.758 120.200 -0.060 0.000 2.267 464 E HA -0.248 4.101 4.350 -0.001 0.000 0.197 464 E C 1.505 178.044 176.600 -0.103 0.000 0.998 464 E CA 1.275 57.632 56.400 -0.071 0.000 0.830 464 E CB -0.246 29.435 29.700 -0.031 0.000 0.751 464 E HN 0.626 nan 8.360 nan 0.000 0.491 465 D N -0.443 119.901 120.400 -0.094 0.000 2.317 465 D HA -0.063 4.576 4.640 -0.001 0.000 0.211 465 D C 1.818 177.995 176.300 -0.205 0.000 0.966 465 D CA 0.395 54.330 54.000 -0.107 0.000 0.876 465 D CB 0.323 41.095 40.800 -0.046 0.000 0.927 465 D HN 0.044 nan 8.370 nan 0.000 0.519 466 V N -0.045 119.669 119.914 -0.333 0.000 2.379 466 V HA -0.121 3.998 4.120 -0.001 0.000 0.243 466 V C 2.591 178.410 176.094 -0.457 0.000 1.035 466 V CA 0.645 62.602 62.300 -0.572 0.000 1.035 466 V CB -0.519 30.691 31.823 -1.021 0.000 0.673 466 V HN 0.024 nan 8.190 nan 0.000 0.457 467 V N 0.729 120.429 119.914 -0.357 0.000 2.287 467 V HA -0.291 3.829 4.120 -0.001 0.000 0.248 467 V C 2.796 178.800 176.094 -0.151 0.000 1.053 467 V CA 2.368 64.545 62.300 -0.205 0.000 1.027 467 V CB -1.041 30.716 31.823 -0.110 0.000 0.646 467 V HN 0.555 nan 8.190 nan 0.000 0.447 468 A N -0.740 121.996 122.820 -0.139 0.000 1.898 468 A HA -0.240 4.079 4.320 -0.001 0.000 0.216 468 A C 2.355 179.871 177.584 -0.113 0.000 1.181 468 A CA 2.070 54.046 52.037 -0.103 0.000 0.620 468 A CB -0.467 18.482 19.000 -0.084 0.000 0.819 468 A HN 0.500 nan 8.150 nan 0.000 0.442 469 K N -0.381 119.928 120.400 -0.152 0.000 2.097 469 K HA -0.015 4.304 4.320 -0.001 0.000 0.205 469 K C 2.084 178.593 176.600 -0.152 0.000 1.050 469 K CA 0.993 57.186 56.287 -0.157 0.000 0.938 469 K CB -0.267 32.111 32.500 -0.202 0.000 0.718 469 K HN 0.369 nan 8.250 nan 0.000 0.442 470 A N 1.252 123.964 122.820 -0.179 0.000 2.019 470 A HA -0.151 4.168 4.320 -0.001 0.000 0.219 470 A C 1.444 178.978 177.584 -0.083 0.000 1.164 470 A CA 1.442 53.394 52.037 -0.141 0.000 0.644 470 A CB -0.247 18.650 19.000 -0.172 0.000 0.805 470 A HN 0.442 nan 8.150 nan 0.000 0.449 471 E N -1.006 119.148 120.200 -0.078 0.000 2.479 471 E HA 0.043 4.392 4.350 -0.001 0.000 0.193 471 E C 1.431 178.006 176.600 -0.042 0.000 1.049 471 E CA 0.110 56.480 56.400 -0.050 0.000 0.870 471 E CB 0.169 29.842 29.700 -0.045 0.000 0.944 471 E HN 0.514 nan 8.360 nan 0.000 0.492 472 K N 0.293 120.662 120.400 -0.051 0.000 2.308 472 K HA 0.164 4.483 4.320 -0.001 0.000 0.197 472 K C 1.203 177.788 176.600 -0.024 0.000 1.049 472 K CA 0.065 56.330 56.287 -0.037 0.000 0.991 472 K CB 0.430 32.903 32.500 -0.045 0.000 0.836 472 K HN 0.080 nan 8.250 nan 0.000 0.500 473 L N 0.827 122.032 121.223 -0.030 0.000 2.801 473 L HA 0.051 4.391 4.340 -0.001 0.000 0.250 473 L C 0.983 177.853 176.870 0.001 0.000 1.222 473 L CA -0.082 54.757 54.840 -0.002 0.000 1.054 473 L CB 0.072 42.133 42.059 0.003 0.000 1.330 473 L HN 0.128 nan 8.230 nan 0.000 0.426 474 A N -1.398 121.418 122.820 -0.005 0.000 2.530 474 A HA 0.562 4.881 4.320 -0.001 0.000 0.214 474 A C 0.918 178.500 177.584 -0.002 0.000 1.352 474 A CA 0.345 52.380 52.037 -0.003 0.000 1.035 474 A CB 0.295 19.290 19.000 -0.009 0.000 1.296 474 A HN 0.273 nan 8.150 nan 0.000 0.563 475 A N 0.000 122.818 122.820 -0.003 0.000 2.254 475 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 475 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 475 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486