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_W 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 AKAEKLA 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 0.000 177.324 177.300 0.041 0.000 1.155 8 P CA 0.000 63.117 63.100 0.027 0.000 0.800 8 P CB 0.000 31.712 31.700 0.019 0.000 0.726 9 I N 1.634 122.242 120.570 0.063 0.000 2.410 9 I HA 0.311 4.481 4.170 -0.000 0.000 0.286 9 I C 0.059 176.257 176.117 0.136 0.000 1.009 9 I CA -0.298 61.067 61.300 0.108 0.000 1.111 9 I CB 2.189 40.263 38.000 0.125 0.000 1.262 9 I HN 0.241 nan 8.210 nan 0.000 0.443 10 T N 3.983 118.590 114.554 0.088 0.000 2.909 10 T HA 0.617 4.967 4.350 -0.000 0.000 0.289 10 T C 0.249 174.844 174.700 -0.174 0.000 1.005 10 T CA -0.650 61.445 62.100 -0.009 0.000 1.084 10 T CB 1.486 70.340 68.868 -0.023 0.000 0.975 10 T HN 0.829 nan 8.240 nan 0.000 0.509 11 G N 1.580 110.158 108.800 -0.369 0.000 2.608 11 G HA2 0.434 4.394 3.960 -0.000 0.000 0.285 11 G HA3 0.434 4.394 3.960 -0.000 0.000 0.285 11 G C -0.930 173.710 174.900 -0.432 0.000 1.407 11 G CA -0.815 43.794 45.100 -0.818 0.000 1.276 11 G HN 0.544 nan 8.290 nan 0.000 0.587 12 K N 1.187 121.427 120.400 -0.266 0.000 2.326 12 K HA 0.366 4.686 4.320 -0.000 0.000 0.275 12 K C 0.425 176.955 176.600 -0.117 0.000 1.018 12 K CA -0.396 55.813 56.287 -0.130 0.000 0.962 12 K CB 1.737 34.203 32.500 -0.056 0.000 0.953 12 K HN 0.259 nan 8.250 nan 0.000 0.475 13 V N 2.812 122.677 119.914 -0.080 0.000 2.614 13 V HA 0.014 4.134 4.120 -0.000 0.000 0.291 13 V C 1.134 177.208 176.094 -0.034 0.000 1.049 13 V CA 0.307 62.578 62.300 -0.048 0.000 1.038 13 V CB 1.115 32.916 31.823 -0.035 0.000 0.980 13 V HN 1.034 nan 8.190 nan 0.000 0.481 14 T N 0.032 114.577 114.554 -0.015 0.000 3.058 14 T HA 0.659 5.009 4.350 -0.000 0.000 0.278 14 T C 0.046 174.740 174.700 -0.010 0.000 0.974 14 T CA 0.411 62.501 62.100 -0.017 0.000 0.893 14 T CB 0.557 69.420 68.868 -0.009 0.000 1.138 14 T HN 1.149 nan 8.240 nan 0.000 0.529 15 A N 0.653 123.470 122.820 -0.004 0.000 2.547 15 A HA 0.623 4.943 4.320 -0.000 0.000 0.298 15 A C -1.524 176.060 177.584 0.000 0.000 1.062 15 A CA -0.695 51.341 52.037 -0.001 0.000 0.748 15 A CB 1.231 20.234 19.000 0.005 0.000 1.288 15 A HN 0.366 nan 8.150 nan 0.000 0.396 16 V N 3.473 123.386 119.914 -0.002 0.000 2.380 16 V HA 0.385 4.505 4.120 -0.000 0.000 0.272 16 V C -0.623 175.470 176.094 -0.002 0.000 1.011 16 V CA 0.037 62.336 62.300 -0.001 0.000 0.826 16 V CB 0.718 32.539 31.823 -0.004 0.000 1.040 16 V HN 0.689 nan 8.190 nan 0.000 0.441 17 I N 4.318 124.888 120.570 0.000 0.000 2.330 17 I HA 0.630 4.800 4.170 -0.000 0.000 0.286 17 I C 1.360 177.476 176.117 -0.002 0.000 1.025 17 I CA 0.193 61.492 61.300 -0.001 0.000 1.197 17 I CB 1.137 39.136 38.000 -0.001 0.000 1.358 17 I HN 0.740 nan 8.210 nan 0.000 0.467 18 G N 5.120 113.919 108.800 -0.003 0.000 2.665 18 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.326 18 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.326 18 G C 0.981 175.880 174.900 -0.002 0.000 1.231 18 G CA 0.611 45.708 45.100 -0.004 0.000 0.992 18 G HN 0.805 nan 8.290 nan 0.000 0.549 19 A N -0.371 122.448 122.820 -0.003 0.000 2.238 19 A HA 0.507 4.827 4.320 -0.000 0.000 0.208 19 A C 0.940 178.526 177.584 0.003 0.000 1.177 19 A CA 1.037 53.074 52.037 -0.001 0.000 0.804 19 A CB -0.124 18.874 19.000 -0.004 0.000 0.823 19 A HN 0.662 nan 8.150 nan 0.000 0.482 20 I N 1.424 121.997 120.570 0.004 0.000 2.328 20 I HA 0.314 4.484 4.170 -0.000 0.000 0.287 20 I C -0.657 175.467 176.117 0.011 0.000 1.012 20 I CA -0.625 60.680 61.300 0.009 0.000 1.195 20 I CB 0.757 38.762 38.000 0.007 0.000 1.350 20 I HN -0.176 nan 8.210 nan 0.000 0.464 21 V N 5.564 125.488 119.914 0.017 0.000 2.483 21 V HA 0.413 4.533 4.120 -0.000 0.000 0.295 21 V C -0.357 175.753 176.094 0.028 0.000 1.035 21 V CA -0.608 61.703 62.300 0.018 0.000 0.896 21 V CB 2.166 33.999 31.823 0.017 0.000 0.986 21 V HN 0.552 nan 8.190 nan 0.000 0.447 22 D N 2.975 123.390 120.400 0.025 0.000 2.308 22 D HA 0.566 5.206 4.640 -0.000 0.000 0.242 22 D C -0.688 175.633 176.300 0.034 0.000 1.059 22 D CA -0.123 53.899 54.000 0.037 0.000 0.830 22 D CB 2.147 42.968 40.800 0.034 0.000 1.161 22 D HN 0.259 nan 8.370 nan 0.000 0.494 23 V N 2.742 122.691 119.914 0.058 0.000 2.409 23 V HA 0.186 4.306 4.120 -0.000 0.000 0.291 23 V C 0.099 176.215 176.094 0.037 0.000 1.020 23 V CA -0.891 61.417 62.300 0.012 0.000 0.848 23 V CB 1.626 33.461 31.823 0.020 0.000 0.990 23 V HN 0.573 nan 8.190 nan 0.000 0.430 24 H N 4.455 123.436 119.070 -0.148 0.000 2.582 24 H HA 0.543 5.099 4.556 -0.000 0.000 0.345 24 H C -1.654 173.497 175.328 -0.296 0.000 1.104 24 H CA 0.021 56.003 56.048 -0.110 0.000 1.390 24 H CB 1.076 30.782 29.762 -0.094 0.000 1.461 24 H HN 0.495 nan 8.280 nan 0.000 0.551 25 F N 1.359 120.888 119.950 -0.701 0.000 2.664 25 F HA 0.230 4.757 4.527 -0.000 0.000 0.329 25 F C 0.448 175.876 175.800 -0.621 0.000 1.090 25 F CA -0.915 56.787 58.000 -0.498 0.000 0.978 25 F CB 1.323 40.158 39.000 -0.275 0.000 1.378 25 F HN 0.493 nan 8.300 nan 0.000 0.495 26 E N -0.194 119.973 120.200 -0.056 0.000 2.602 26 E HA 0.174 4.524 4.350 -0.000 0.000 0.255 26 E C -0.895 175.693 176.600 -0.021 0.000 1.268 26 E CA -0.724 55.651 56.400 -0.041 0.000 1.007 26 E CB 0.265 29.976 29.700 0.018 0.000 1.208 26 E HN 0.377 nan 8.360 nan 0.000 0.584 27 Q N 0.919 120.716 119.800 -0.005 0.000 2.275 27 Q HA -0.048 4.292 4.340 -0.000 0.000 0.293 27 Q C 0.282 176.271 176.000 -0.019 0.000 1.129 27 Q CA 1.027 56.825 55.803 -0.007 0.000 0.971 27 Q CB -0.339 28.402 28.738 0.004 0.000 1.098 27 Q HN 0.718 nan 8.270 nan 0.000 0.386 28 S N 0.995 116.675 115.700 -0.034 0.000 3.179 28 S HA -0.380 4.090 4.470 -0.000 0.000 0.318 28 S C 0.959 175.517 174.600 -0.071 0.000 1.261 28 S CA 1.611 59.782 58.200 -0.047 0.000 1.003 28 S CB -1.217 61.968 63.200 -0.024 0.000 1.094 28 S HN 0.840 nan 8.310 nan 0.000 0.661 29 E N 0.120 120.277 120.200 -0.071 0.000 2.512 29 E HA 0.239 4.589 4.350 -0.000 0.000 0.195 29 E C 0.201 176.645 176.600 -0.260 0.000 1.083 29 E CA -0.104 56.243 56.400 -0.087 0.000 0.873 29 E CB -0.112 29.591 29.700 0.005 0.000 0.897 29 E HN 0.780 nan 8.360 nan 0.000 0.514 30 L N 2.798 123.825 121.223 -0.327 0.000 2.453 30 L HA 0.131 4.471 4.340 -0.000 0.000 0.272 30 L C -1.828 174.756 176.870 -0.476 0.000 1.182 30 L CA -1.419 53.062 54.840 -0.599 0.000 0.858 30 L CB -0.071 41.708 42.059 -0.467 0.000 1.120 30 L HN 0.030 nan 8.230 nan 0.000 0.474 31 P HA 0.241 nan 4.420 nan 0.000 0.282 31 P C -0.808 176.450 177.300 -0.069 0.000 1.249 31 P CA -0.596 62.330 63.100 -0.289 0.000 0.806 31 P CB 1.184 32.702 31.700 -0.303 0.000 0.984 32 A N 3.497 126.305 122.820 -0.021 0.000 2.466 32 A HA 0.203 4.523 4.320 -0.000 0.000 0.238 32 A C 0.628 178.219 177.584 0.012 0.000 1.074 32 A CA -0.391 51.656 52.037 0.017 0.000 0.774 32 A CB -0.610 18.367 19.000 -0.038 0.000 1.015 32 A HN 0.545 nan 8.150 nan 0.000 0.498 33 I N 0.970 121.519 120.570 -0.034 0.000 2.775 33 I HA -0.012 4.158 4.170 -0.000 0.000 0.290 33 I C 0.794 176.848 176.117 -0.105 0.000 1.203 33 I CA 0.888 62.154 61.300 -0.055 0.000 1.433 33 I CB 0.169 38.097 38.000 -0.118 0.000 1.354 33 I HN 0.750 nan 8.210 nan 0.000 0.579 34 L N 2.052 123.205 121.223 -0.116 0.000 3.853 34 L HA -0.235 4.105 4.340 -0.000 0.000 0.416 34 L C 0.191 176.985 176.870 -0.126 0.000 0.766 34 L CA -0.058 54.649 54.840 -0.223 0.000 2.383 34 L CB -1.466 40.321 42.059 -0.454 0.000 1.276 34 L HN 0.673 nan 8.230 nan 0.000 0.597 35 N N 1.165 119.830 118.700 -0.059 0.000 2.416 35 N HA 0.462 5.202 4.740 -0.000 0.000 0.246 35 N C 0.317 175.834 175.510 0.011 0.000 1.260 35 N CA 0.916 53.955 53.050 -0.020 0.000 0.897 35 N CB 0.672 39.141 38.487 -0.029 0.000 1.110 35 N HN 0.309 nan 8.380 nan 0.000 0.439 36 A N 1.951 124.787 122.820 0.027 0.000 2.331 36 A HA 0.548 4.868 4.320 -0.000 0.000 0.283 36 A C -0.204 177.407 177.584 0.045 0.000 1.142 36 A CA -0.435 51.627 52.037 0.041 0.000 0.812 36 A CB 0.089 19.114 19.000 0.042 0.000 1.074 36 A HN 0.592 nan 8.150 nan 0.000 0.497 37 L N 1.314 122.571 121.223 0.056 0.000 2.303 37 L HA 0.651 4.991 4.340 -0.000 0.000 0.266 37 L C -0.022 176.880 176.870 0.054 0.000 1.011 37 L CA -0.569 54.315 54.840 0.074 0.000 0.818 37 L CB 1.956 44.075 42.059 0.101 0.000 1.326 37 L HN 0.762 nan 8.230 nan 0.000 0.435 38 E N 1.549 121.780 120.200 0.052 0.000 2.275 38 E HA 0.577 4.927 4.350 -0.000 0.000 0.270 38 E C -1.479 175.135 176.600 0.023 0.000 0.882 38 E CA -0.449 55.971 56.400 0.033 0.000 0.758 38 E CB 3.165 32.882 29.700 0.028 0.000 1.195 38 E HN 0.367 nan 8.360 nan 0.000 0.419 39 I N 2.639 123.218 120.570 0.015 0.000 2.466 39 I HA 0.278 4.448 4.170 -0.000 0.000 0.289 39 I C -0.405 175.715 176.117 0.005 0.000 1.026 39 I CA -0.797 60.507 61.300 0.006 0.000 1.078 39 I CB 1.736 39.738 38.000 0.003 0.000 1.249 39 I HN 0.194 nan 8.210 nan 0.000 0.429 40 K N 4.695 125.096 120.400 0.002 0.000 2.339 40 K HA 0.372 4.692 4.320 -0.000 0.000 0.286 40 K C -0.060 176.540 176.600 -0.000 0.000 1.050 40 K CA -0.192 56.096 56.287 0.002 0.000 0.956 40 K CB 1.054 33.554 32.500 0.001 0.000 0.990 40 K HN 0.668 nan 8.250 nan 0.000 0.475 41 T N -0.898 113.657 114.554 0.001 0.000 2.930 41 T HA 0.336 4.686 4.350 -0.000 0.000 0.290 41 T C -1.852 172.848 174.700 -0.000 0.000 1.052 41 T CA -1.884 60.216 62.100 -0.000 0.000 1.017 41 T CB 1.540 70.408 68.868 0.001 0.000 1.137 41 T HN 0.302 nan 8.240 nan 0.000 0.511 42 P HA -0.009 nan 4.420 nan 0.000 0.234 42 P C 0.667 177.968 177.300 0.001 0.000 1.162 42 P CA 0.750 63.850 63.100 -0.000 0.000 0.759 42 P CB 0.277 31.977 31.700 -0.001 0.000 0.813 43 Q N -0.849 118.952 119.800 0.001 0.000 2.462 43 Q HA 0.307 4.647 4.340 -0.000 0.000 0.224 43 Q C 1.377 177.379 176.000 0.003 0.000 0.911 43 Q CA 1.500 57.304 55.803 0.002 0.000 0.925 43 Q CB 0.435 29.174 28.738 0.003 0.000 1.063 43 Q HN 0.255 nan 8.270 nan 0.000 0.572 44 G N -0.375 108.426 108.800 0.003 0.000 2.440 44 G HA2 0.131 4.091 3.960 -0.000 0.000 0.114 44 G HA3 0.131 4.091 3.960 -0.000 0.000 0.114 44 G C -1.341 173.561 174.900 0.004 0.000 0.940 44 G CA -0.058 45.043 45.100 0.003 0.000 1.305 44 G HN 0.136 nan 8.290 nan 0.000 0.525 45 K N -0.479 119.924 120.400 0.005 0.000 2.527 45 K HA 0.749 5.069 4.320 -0.000 0.000 0.260 45 K C -2.019 174.586 176.600 0.009 0.000 0.937 45 K CA -0.897 55.394 56.287 0.007 0.000 0.826 45 K CB 2.751 35.255 32.500 0.007 0.000 1.359 45 K HN 0.726 nan 8.250 nan 0.000 0.434 46 L N 2.595 123.824 121.223 0.010 0.000 2.298 46 L HA 0.417 4.757 4.340 -0.000 0.000 0.284 46 L C -1.450 175.431 176.870 0.018 0.000 1.013 46 L CA -0.483 54.365 54.840 0.013 0.000 0.824 46 L CB 1.793 43.858 42.059 0.010 0.000 1.221 46 L HN 0.571 nan 8.230 nan 0.000 0.418 47 V N 6.641 126.567 119.914 0.021 0.000 2.407 47 V HA 0.429 4.549 4.120 -0.000 0.000 0.278 47 V C 0.046 176.158 176.094 0.031 0.000 1.037 47 V CA -0.416 61.900 62.300 0.027 0.000 0.900 47 V CB 1.289 33.129 31.823 0.027 0.000 0.983 47 V HN 0.616 nan 8.190 nan 0.000 0.459 48 L N 4.407 125.653 121.223 0.038 0.000 2.341 48 L HA 0.601 4.941 4.340 -0.000 0.000 0.278 48 L C -0.024 176.874 176.870 0.047 0.000 1.005 48 L CA -0.350 54.514 54.840 0.041 0.000 0.818 48 L CB 1.925 44.011 42.059 0.045 0.000 1.259 48 L HN 0.594 nan 8.230 nan 0.000 0.418 49 E N 2.131 122.357 120.200 0.044 0.000 2.174 49 E HA 0.360 4.710 4.350 -0.000 0.000 0.282 49 E C -0.981 175.639 176.600 0.032 0.000 0.992 49 E CA -0.782 55.642 56.400 0.041 0.000 0.803 49 E CB 1.867 31.599 29.700 0.054 0.000 1.090 49 E HN 0.330 nan 8.360 nan 0.000 0.396 50 V N 3.945 123.875 119.914 0.026 0.000 2.585 50 V HA 0.093 4.213 4.120 -0.000 0.000 0.296 50 V C 0.843 176.949 176.094 0.020 0.000 1.035 50 V CA 0.813 63.135 62.300 0.038 0.000 1.084 50 V CB 0.885 32.734 31.823 0.043 0.000 0.953 50 V HN 0.899 nan 8.190 nan 0.000 0.483 51 A N 3.996 126.839 122.820 0.038 0.000 1.988 51 A HA 0.332 4.652 4.320 -0.000 0.000 0.201 51 A C 0.779 178.381 177.584 0.030 0.000 1.410 51 A CA 0.179 52.227 52.037 0.018 0.000 0.832 51 A CB 0.329 19.339 19.000 0.017 0.000 0.981 51 A HN 0.742 nan 8.150 nan 0.000 0.492 52 Q N -1.938 117.908 119.800 0.077 0.000 2.668 52 Q HA 0.488 4.828 4.340 -0.000 0.000 0.298 52 Q C -0.903 175.248 176.000 0.252 0.000 1.071 52 Q CA -0.639 55.224 55.803 0.100 0.000 0.789 52 Q CB 1.600 30.378 28.738 0.065 0.000 1.497 52 Q HN 0.586 nan 8.270 nan 0.000 0.460 53 H N 0.422 119.491 119.070 -0.003 0.000 2.662 53 H HA 0.224 4.780 4.556 0.000 0.000 0.268 53 H C 0.829 176.166 175.328 0.015 0.000 1.152 53 H CA -0.072 55.977 56.048 0.001 0.000 1.072 53 H CB 0.544 30.297 29.762 -0.015 0.000 1.660 53 H HN 0.562 nan 8.280 nan 0.000 0.584 54 L N 0.220 121.511 121.223 0.114 0.000 2.974 54 L HA -0.400 3.940 4.340 -0.000 0.000 0.209 54 L C 1.138 178.045 176.870 0.062 0.000 3.092 54 L CA 1.924 56.806 54.840 0.071 0.000 0.654 54 L CB -1.046 41.047 42.059 0.057 0.000 2.281 54 L HN 0.596 nan 8.230 nan 0.000 0.388 55 G N -3.145 105.689 108.800 0.057 0.000 2.345 55 G HA2 0.287 4.247 3.960 -0.000 0.000 0.310 55 G HA3 0.287 4.247 3.960 -0.000 0.000 0.310 55 G C -0.351 174.580 174.900 0.052 0.000 1.476 55 G CA -0.262 44.868 45.100 0.050 0.000 0.978 55 G HN 0.297 nan 8.290 nan 0.000 0.656 56 E N 0.078 120.309 120.200 0.052 0.000 2.476 56 E HA -0.246 4.104 4.350 -0.000 0.000 0.251 56 E C 0.429 177.090 176.600 0.103 0.000 1.130 56 E CA 0.662 57.104 56.400 0.070 0.000 0.736 56 E CB -0.930 28.812 29.700 0.069 0.000 1.298 56 E HN 0.940 nan 8.360 nan 0.000 0.400 57 N N -0.976 117.752 118.700 0.047 0.000 2.758 57 N HA -0.134 4.606 4.740 -0.000 0.000 0.248 57 N C -1.103 174.415 175.510 0.013 0.000 1.076 57 N CA 1.879 54.922 53.050 -0.011 0.000 0.696 57 N CB -1.304 37.145 38.487 -0.062 0.000 0.979 57 N HN 0.268 nan 8.380 nan 0.000 0.550 58 T N -0.543 114.040 114.554 0.048 0.000 2.841 58 T HA 0.571 4.921 4.350 -0.000 0.000 0.285 58 T C 0.516 175.237 174.700 0.036 0.000 0.991 58 T CA -0.723 61.426 62.100 0.083 0.000 0.966 58 T CB 2.412 71.347 68.868 0.111 0.000 0.962 58 T HN 0.154 nan 8.240 nan 0.000 0.438 59 V N 1.630 121.577 119.914 0.055 0.000 2.617 59 V HA 0.722 4.842 4.120 -0.000 0.000 0.298 59 V C 0.066 176.205 176.094 0.076 0.000 1.048 59 V CA -1.242 61.080 62.300 0.035 0.000 0.964 59 V CB 1.353 33.177 31.823 0.002 0.000 1.004 59 V HN 0.825 nan 8.190 nan 0.000 0.466 60 R N 2.072 122.620 120.500 0.079 0.000 2.368 60 R HA 0.696 5.036 4.340 -0.000 0.000 0.302 60 R C -0.199 176.138 176.300 0.061 0.000 1.002 60 R CA 0.297 56.434 56.100 0.063 0.000 0.929 60 R CB 1.391 31.723 30.300 0.052 0.000 1.073 60 R HN 1.175 nan 8.270 nan 0.000 0.464 61 T N 2.205 116.789 114.554 0.050 0.000 2.909 61 T HA 0.515 4.865 4.350 -0.000 0.000 0.299 61 T C -0.104 174.615 174.700 0.031 0.000 1.073 61 T CA -1.000 61.127 62.100 0.045 0.000 0.999 61 T CB 1.029 69.932 68.868 0.057 0.000 1.098 61 T HN 0.557 nan 8.240 nan 0.000 0.477 62 I N 0.619 121.205 120.570 0.027 0.000 2.377 62 I HA 0.850 5.020 4.170 -0.000 0.000 0.293 62 I C 0.258 176.388 176.117 0.022 0.000 0.987 62 I CA -1.355 59.956 61.300 0.019 0.000 1.185 62 I CB 1.258 39.265 38.000 0.012 0.000 1.341 62 I HN 0.882 nan 8.210 nan 0.000 0.455 63 A N 6.692 129.522 122.820 0.016 0.000 2.340 63 A HA 0.558 4.878 4.320 -0.000 0.000 0.268 63 A C 0.735 178.329 177.584 0.016 0.000 1.100 63 A CA -0.617 51.430 52.037 0.017 0.000 0.803 63 A CB 0.750 19.757 19.000 0.012 0.000 1.043 63 A HN 0.891 nan 8.150 nan 0.000 0.488 64 M N 0.475 120.087 119.600 0.019 0.000 2.441 64 M HA 0.189 4.669 4.480 -0.000 0.000 0.244 64 M C -0.446 175.862 176.300 0.014 0.000 1.122 64 M CA 0.636 55.947 55.300 0.018 0.000 1.041 64 M CB -1.030 31.584 32.600 0.023 0.000 1.438 64 M HN 0.778 nan 8.290 nan 0.000 0.484 65 D N -0.889 119.518 120.400 0.012 0.000 2.837 65 D HA 0.569 5.209 4.640 -0.000 0.000 0.294 65 D C -0.047 176.257 176.300 0.006 0.000 1.158 65 D CA -0.249 53.757 54.000 0.009 0.000 1.073 65 D CB 0.896 41.702 40.800 0.009 0.000 1.419 65 D HN 0.087 nan 8.370 nan 0.000 0.584 66 G N -1.401 107.402 108.800 0.005 0.000 2.527 66 G HA2 0.399 4.359 3.960 -0.000 0.000 0.248 66 G HA3 0.399 4.359 3.960 -0.000 0.000 0.248 66 G C 0.625 175.526 174.900 0.003 0.000 1.231 66 G CA 0.093 45.194 45.100 0.003 0.000 0.838 66 G HN 0.433 nan 8.290 nan 0.000 0.570 67 T N -1.833 112.721 114.554 0.001 0.000 3.092 67 T HA 0.176 4.526 4.350 -0.000 0.000 0.258 67 T C 0.724 175.424 174.700 -0.001 0.000 1.031 67 T CA -0.026 62.074 62.100 0.001 0.000 0.925 67 T CB -0.216 68.653 68.868 0.001 0.000 1.036 67 T HN 0.705 nan 8.240 nan 0.000 0.544 68 E N 1.178 121.377 120.200 -0.001 0.000 2.465 68 E HA 0.341 4.691 4.350 -0.000 0.000 0.260 68 E C 1.141 177.739 176.600 -0.003 0.000 0.980 68 E CA 0.428 56.826 56.400 -0.002 0.000 0.927 68 E CB 0.066 29.765 29.700 -0.002 0.000 0.934 68 E HN 0.409 nan 8.360 nan 0.000 0.459 69 G N 3.114 111.911 108.800 -0.004 0.000 2.195 69 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.246 69 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.246 69 G C 0.279 175.176 174.900 -0.006 0.000 0.984 69 G CA 0.045 45.142 45.100 -0.005 0.000 0.633 69 G HN 0.517 nan 8.290 nan 0.000 0.525 70 L N 1.805 123.025 121.223 -0.006 0.000 2.500 70 L HA 0.323 4.663 4.340 -0.000 0.000 0.272 70 L C 0.885 177.749 176.870 -0.011 0.000 1.149 70 L CA -0.240 54.596 54.840 -0.008 0.000 0.897 70 L CB 0.895 42.950 42.059 -0.007 0.000 1.178 70 L HN 0.003 nan 8.230 nan 0.000 0.473 71 V N 5.371 125.277 119.914 -0.013 0.000 2.546 71 V HA 0.183 4.303 4.120 -0.000 0.000 0.284 71 V C 0.816 176.898 176.094 -0.021 0.000 1.050 71 V CA -0.625 61.665 62.300 -0.016 0.000 0.981 71 V CB 1.328 33.141 31.823 -0.016 0.000 0.990 71 V HN 0.673 nan 8.190 nan 0.000 0.474 72 R N 3.306 123.793 120.500 -0.022 0.000 2.446 72 R HA 0.350 4.690 4.340 -0.000 0.000 0.314 72 R C 1.167 177.446 176.300 -0.034 0.000 1.003 72 R CA 0.952 57.035 56.100 -0.028 0.000 1.018 72 R CB -0.013 30.270 30.300 -0.028 0.000 0.945 72 R HN 1.147 nan 8.270 nan 0.000 0.419 73 G N 2.435 111.210 108.800 -0.041 0.000 2.192 73 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.193 73 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.193 73 G C 0.074 174.946 174.900 -0.046 0.000 0.999 73 G CA -0.331 44.741 45.100 -0.047 0.000 0.659 73 G HN 0.588 nan 8.290 nan 0.000 0.503 74 E N 0.986 121.162 120.200 -0.041 0.000 2.398 74 E HA 0.379 4.729 4.350 -0.000 0.000 0.263 74 E C 0.807 177.376 176.600 -0.053 0.000 1.046 74 E CA -0.391 55.986 56.400 -0.038 0.000 0.908 74 E CB 0.403 30.086 29.700 -0.028 0.000 0.963 74 E HN 0.324 nan 8.360 nan 0.000 0.431 75 K N 2.181 122.553 120.400 -0.046 0.000 2.436 75 K HA 0.094 4.414 4.320 -0.000 0.000 0.275 75 K C -1.262 175.306 176.600 -0.054 0.000 0.999 75 K CA -0.182 56.072 56.287 -0.055 0.000 0.980 75 K CB 0.584 33.064 32.500 -0.034 0.000 0.919 75 K HN 0.226 nan 8.250 nan 0.000 0.484 76 V N 5.838 125.706 119.914 -0.077 0.000 2.638 76 V HA 0.314 4.434 4.120 -0.000 0.000 0.306 76 V C -0.613 175.492 176.094 0.018 0.000 1.052 76 V CA -0.947 61.330 62.300 -0.038 0.000 0.885 76 V CB 1.650 33.431 31.823 -0.070 0.000 0.999 76 V HN 0.738 nan 8.190 nan 0.000 0.424 77 L N 3.494 124.749 121.223 0.054 0.000 2.289 77 L HA 0.602 4.942 4.340 -0.000 0.000 0.285 77 L C -0.441 176.498 176.870 0.115 0.000 1.049 77 L CA -0.235 54.651 54.840 0.077 0.000 0.804 77 L CB 1.512 43.599 42.059 0.045 0.000 1.195 77 L HN 0.749 nan 8.230 nan 0.000 0.428 78 D N 1.653 122.133 120.400 0.132 0.000 2.373 78 D HA 0.130 4.770 4.640 -0.000 0.000 0.227 78 D C 1.057 177.383 176.300 0.044 0.000 1.091 78 D CA -0.163 53.892 54.000 0.092 0.000 0.840 78 D CB 1.497 42.337 40.800 0.067 0.000 1.060 78 D HN 0.623 nan 8.370 nan 0.000 0.502 79 T N 0.883 115.456 114.554 0.032 0.000 3.085 79 T HA 0.232 4.582 4.350 -0.000 0.000 0.263 79 T C 1.490 176.196 174.700 0.011 0.000 1.127 79 T CA 0.774 62.887 62.100 0.022 0.000 1.103 79 T CB 0.059 68.941 68.868 0.022 0.000 0.921 79 T HN 0.636 nan 8.240 nan 0.000 0.510 80 G N -0.246 108.555 108.800 0.003 0.000 2.436 80 G HA2 0.211 4.171 3.960 -0.000 0.000 0.204 80 G HA3 0.211 4.171 3.960 -0.000 0.000 0.204 80 G C 0.410 175.305 174.900 -0.008 0.000 1.026 80 G CA -0.279 44.818 45.100 -0.004 0.000 0.658 80 G HN 1.255 nan 8.290 nan 0.000 0.499 81 G N -0.265 108.535 108.800 0.000 0.000 2.664 81 G HA2 0.721 4.681 3.960 -0.000 0.000 0.303 81 G HA3 0.721 4.681 3.960 -0.000 0.000 0.303 81 G C -3.333 171.577 174.900 0.017 0.000 1.243 81 G CA 0.132 45.233 45.100 0.003 0.000 0.826 81 G HN 0.345 nan 8.290 nan 0.000 0.498 82 P HA 0.405 nan 4.420 nan 0.000 0.276 82 P C 0.117 177.475 177.300 0.095 0.000 1.252 82 P CA -0.504 62.648 63.100 0.087 0.000 0.802 82 P CB 0.613 32.409 31.700 0.160 0.000 1.035 83 I N 0.477 121.119 120.570 0.120 0.000 2.996 83 I HA -0.111 4.059 4.170 -0.000 0.000 0.310 83 I C 0.963 177.101 176.117 0.035 0.000 1.225 83 I CA 0.932 62.273 61.300 0.068 0.000 1.442 83 I CB -0.419 37.621 38.000 0.067 0.000 1.334 83 I HN 0.343 nan 8.210 nan 0.000 0.550 84 S N 6.962 122.670 115.700 0.013 0.000 2.462 84 S HA 0.749 5.219 4.470 -0.000 0.000 0.294 84 S C -0.433 174.151 174.600 -0.027 0.000 1.144 84 S CA -0.774 57.421 58.200 -0.008 0.000 1.088 84 S CB 1.796 64.990 63.200 -0.010 0.000 1.009 84 S HN 0.550 nan 8.310 nan 0.000 0.484 85 V N -0.704 119.182 119.914 -0.047 0.000 3.001 85 V HA 0.817 4.937 4.120 -0.000 0.000 0.314 85 V C -3.135 172.900 176.094 -0.099 0.000 1.099 85 V CA -2.981 59.280 62.300 -0.064 0.000 0.989 85 V CB 1.206 32.991 31.823 -0.064 0.000 1.040 85 V HN 0.697 nan 8.190 nan 0.000 0.434 86 P HA 0.492 nan 4.420 nan 0.000 0.272 86 P C -0.554 176.605 177.300 -0.236 0.000 1.240 86 P CA -0.033 62.970 63.100 -0.161 0.000 0.791 86 P CB 0.939 32.559 31.700 -0.133 0.000 0.978 87 V N -3.840 115.856 119.914 -0.363 0.000 3.165 87 V HA 0.967 5.087 4.120 -0.000 0.000 0.309 87 V C 0.131 175.835 176.094 -0.649 0.000 1.267 87 V CA -0.262 61.691 62.300 -0.580 0.000 1.067 87 V CB 0.908 32.209 31.823 -0.870 0.000 1.082 87 V HN 0.987 nan 8.190 nan 0.000 0.451 88 G N 0.737 109.029 108.800 -0.846 0.000 2.660 88 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.215 88 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.215 88 G C 0.108 174.903 174.900 -0.174 0.000 1.345 88 G CA 0.387 45.191 45.100 -0.494 0.000 0.877 88 G HN 1.017 nan 8.290 nan 0.000 0.549 89 R N 0.267 120.796 120.500 0.047 0.000 2.189 89 R HA 0.043 4.383 4.340 -0.000 0.000 0.218 89 R C 2.021 178.305 176.300 -0.026 0.000 1.074 89 R CA 1.293 57.434 56.100 0.069 0.000 0.991 89 R CB -0.086 30.247 30.300 0.054 0.000 0.883 89 R HN 0.525 nan 8.270 nan 0.000 0.457 90 E N 0.035 120.206 120.200 -0.048 0.000 2.418 90 E HA -0.086 4.264 4.350 -0.000 0.000 0.197 90 E C 1.609 178.175 176.600 -0.057 0.000 1.026 90 E CA 1.320 57.688 56.400 -0.053 0.000 0.862 90 E CB 0.050 29.714 29.700 -0.059 0.000 0.799 90 E HN 0.432 nan 8.360 nan 0.000 0.518 91 T N -1.543 112.973 114.554 -0.063 0.000 3.088 91 T HA 0.098 4.448 4.350 -0.000 0.000 0.259 91 T C 1.184 175.867 174.700 -0.028 0.000 1.122 91 T CA -0.074 61.994 62.100 -0.054 0.000 1.095 91 T CB -0.082 68.742 68.868 -0.072 0.000 0.930 91 T HN -0.050 nan 8.240 nan 0.000 0.508 92 L N 1.758 122.960 121.223 -0.035 0.000 2.416 92 L HA 0.495 4.835 4.340 -0.000 0.000 0.272 92 L C 1.641 178.492 176.870 -0.033 0.000 1.161 92 L CA 0.552 55.356 54.840 -0.061 0.000 0.845 92 L CB 0.227 42.172 42.059 -0.190 0.000 1.119 92 L HN 0.486 nan 8.230 nan 0.000 0.464 93 G N 1.829 110.627 108.800 -0.002 0.000 2.168 93 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.263 93 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.263 93 G C 0.251 175.196 174.900 0.076 0.000 0.977 93 G CA -0.215 44.917 45.100 0.053 0.000 0.659 93 G HN 0.481 nan 8.290 nan 0.000 0.533 94 R N -0.367 120.137 120.500 0.008 0.000 2.637 94 R HA 0.660 5.000 4.340 -0.000 0.000 0.291 94 R C 0.247 176.488 176.300 -0.099 0.000 0.963 94 R CA -0.965 55.119 56.100 -0.027 0.000 0.901 94 R CB 1.253 31.536 30.300 -0.029 0.000 1.160 94 R HN 0.274 nan 8.270 nan 0.000 0.457 95 I N 3.580 124.062 120.570 -0.147 0.000 2.353 95 I HA 0.419 4.589 4.170 -0.000 0.000 0.293 95 I C 0.260 176.316 176.117 -0.101 0.000 0.992 95 I CA -0.439 60.755 61.300 -0.176 0.000 1.268 95 I CB 0.921 38.808 38.000 -0.189 0.000 1.387 95 I HN 0.291 nan 8.210 nan 0.000 0.478 96 I N 5.681 126.187 120.570 -0.108 0.000 2.608 96 I HA 0.301 4.471 4.170 -0.000 0.000 0.295 96 I C -0.262 175.835 176.117 -0.034 0.000 1.049 96 I CA -0.753 60.508 61.300 -0.064 0.000 1.063 96 I CB 1.989 39.946 38.000 -0.072 0.000 1.248 96 I HN 0.654 nan 8.210 nan 0.000 0.424 97 N N 4.458 123.157 118.700 -0.002 0.000 2.495 97 N HA 0.135 4.875 4.740 -0.000 0.000 0.294 97 N C 0.805 176.321 175.510 0.010 0.000 1.276 97 N CA -0.670 52.396 53.050 0.026 0.000 0.973 97 N CB 0.206 38.716 38.487 0.039 0.000 1.143 97 N HN 0.365 nan 8.380 nan 0.000 0.589 98 V N -0.239 119.688 119.914 0.022 0.000 2.324 98 V HA -0.203 3.917 4.120 -0.000 0.000 0.250 98 V C 1.703 177.798 176.094 0.001 0.000 1.060 98 V CA 2.250 64.558 62.300 0.013 0.000 1.042 98 V CB -0.799 31.037 31.823 0.021 0.000 0.650 98 V HN 0.652 nan 8.190 nan 0.000 0.450 99 I N -2.178 118.394 120.570 0.003 0.000 3.812 99 I HA 0.502 4.672 4.170 -0.000 0.000 0.320 99 I C 1.388 177.499 176.117 -0.010 0.000 1.276 99 I CA 0.669 61.969 61.300 0.001 0.000 1.164 99 I CB -0.297 37.708 38.000 0.008 0.000 1.009 99 I HN 0.374 nan 8.210 nan 0.000 0.431 100 G N 1.082 109.871 108.800 -0.019 0.000 2.157 100 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.248 100 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.248 100 G C -0.130 174.751 174.900 -0.032 0.000 0.979 100 G CA -0.087 44.993 45.100 -0.033 0.000 0.650 100 G HN 0.604 nan 8.290 nan 0.000 0.529 101 E N 0.731 120.919 120.200 -0.020 0.000 2.248 101 E HA 0.469 4.819 4.350 -0.000 0.000 0.272 101 E C -2.563 174.026 176.600 -0.017 0.000 1.008 101 E CA -2.107 54.283 56.400 -0.017 0.000 0.856 101 E CB 1.608 31.303 29.700 -0.008 0.000 1.120 101 E HN 0.118 nan 8.360 nan 0.000 0.397 102 P HA 0.100 nan 4.420 nan 0.000 0.280 102 P C -0.103 177.193 177.300 -0.008 0.000 1.244 102 P CA 0.100 63.189 63.100 -0.019 0.000 0.784 102 P CB 0.325 32.014 31.700 -0.018 0.000 0.913 103 I N -0.890 119.675 120.570 -0.008 0.000 3.947 103 I HA 0.311 4.481 4.170 -0.000 0.000 0.327 103 I C 0.084 176.197 176.117 -0.007 0.000 1.519 103 I CA -0.154 61.149 61.300 0.004 0.000 1.122 103 I CB 0.149 38.166 38.000 0.027 0.000 1.146 103 I HN 0.041 nan 8.210 nan 0.000 0.442 104 D N 0.431 120.818 120.400 -0.022 0.000 2.440 104 D HA 0.026 4.666 4.640 -0.000 0.000 0.216 104 D C 0.412 176.727 176.300 0.026 0.000 1.150 104 D CA -0.256 53.727 54.000 -0.029 0.000 0.832 104 D CB -0.220 40.526 40.800 -0.089 0.000 0.992 104 D HN 0.442 nan 8.370 nan 0.000 0.502 105 E N -0.017 120.196 120.200 0.021 0.000 2.450 105 E HA -0.286 4.064 4.350 -0.000 0.000 0.244 105 E C 0.903 177.524 176.600 0.035 0.000 1.226 105 E CA 0.293 56.710 56.400 0.028 0.000 0.720 105 E CB -0.748 28.973 29.700 0.035 0.000 1.254 105 E HN 0.377 nan 8.360 nan 0.000 0.399 106 R N -0.783 119.736 120.500 0.032 0.000 2.308 106 R HA 0.203 4.543 4.340 -0.000 0.000 0.202 106 R C 0.989 177.300 176.300 0.018 0.000 0.898 106 R CA 0.722 56.842 56.100 0.034 0.000 1.046 106 R CB 1.033 31.363 30.300 0.049 0.000 1.026 106 R HN 0.315 nan 8.270 nan 0.000 0.512 107 G N 1.176 109.982 108.800 0.010 0.000 2.250 107 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.252 107 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.252 107 G C -2.889 172.009 174.900 -0.003 0.000 1.325 107 G CA -0.980 44.122 45.100 0.004 0.000 1.091 107 G HN 0.001 nan 8.290 nan 0.000 0.476 108 P HA 0.681 nan 4.420 nan 0.000 0.281 108 P C -0.688 176.600 177.300 -0.019 0.000 1.264 108 P CA -0.621 62.471 63.100 -0.013 0.000 0.824 108 P CB 0.933 32.626 31.700 -0.012 0.000 1.092 109 I N 0.844 121.397 120.570 -0.028 0.000 2.325 109 I HA 0.239 4.409 4.170 -0.000 0.000 0.291 109 I C 1.242 177.334 176.117 -0.041 0.000 1.019 109 I CA -0.140 61.138 61.300 -0.038 0.000 1.302 109 I CB 0.121 38.090 38.000 -0.052 0.000 1.401 109 I HN 0.019 nan 8.210 nan 0.000 0.485 110 K N 3.479 123.856 120.400 -0.038 0.000 2.706 110 K HA 0.097 4.417 4.320 -0.000 0.000 0.217 110 K C 0.478 177.048 176.600 -0.049 0.000 1.019 110 K CA 0.039 56.304 56.287 -0.035 0.000 1.181 110 K CB -0.167 32.319 32.500 -0.025 0.000 0.940 110 K HN 0.681 nan 8.250 nan 0.000 0.491 111 S N 0.915 116.573 115.700 -0.068 0.000 2.549 111 S HA 0.089 4.559 4.470 -0.000 0.000 0.279 111 S C 1.134 175.682 174.600 -0.086 0.000 1.321 111 S CA -0.214 57.926 58.200 -0.099 0.000 1.054 111 S CB 0.767 63.885 63.200 -0.136 0.000 0.899 111 S HN 0.209 nan 8.310 nan 0.000 0.497 112 K N 3.042 123.387 120.400 -0.091 0.000 2.243 112 K HA 0.222 4.542 4.320 -0.000 0.000 0.201 112 K C -0.082 176.473 176.600 -0.075 0.000 1.051 112 K CA 0.674 56.923 56.287 -0.064 0.000 0.970 112 K CB 0.002 32.480 32.500 -0.037 0.000 0.755 112 K HN 0.543 nan 8.250 nan 0.000 0.465 113 L N 0.790 121.934 121.223 -0.132 0.000 2.401 113 L HA 0.425 4.765 4.340 -0.000 0.000 0.266 113 L C -0.427 176.336 176.870 -0.179 0.000 0.991 113 L CA -0.873 53.886 54.840 -0.134 0.000 0.818 113 L CB 2.367 44.351 42.059 -0.124 0.000 1.321 113 L HN -0.139 nan 8.230 nan 0.000 0.413 114 R N 1.938 122.368 120.500 -0.117 0.000 2.589 114 R HA 0.589 4.929 4.340 -0.000 0.000 0.293 114 R C -0.961 175.290 176.300 -0.081 0.000 0.963 114 R CA -0.968 55.066 56.100 -0.111 0.000 0.905 114 R CB 2.163 32.420 30.300 -0.071 0.000 1.144 114 R HN 0.398 nan 8.270 nan 0.000 0.459 115 K N 2.697 123.048 120.400 -0.080 0.000 2.375 115 K HA 0.454 4.774 4.320 -0.000 0.000 0.249 115 K C -2.578 174.009 176.600 -0.023 0.000 0.942 115 K CA -2.067 54.200 56.287 -0.033 0.000 0.806 115 K CB 2.354 34.847 32.500 -0.012 0.000 1.227 115 K HN 0.387 nan 8.250 nan 0.000 0.430 116 P HA 0.163 nan 4.420 nan 0.000 0.275 116 P C 0.861 178.158 177.300 -0.005 0.000 1.227 116 P CA -0.270 62.840 63.100 0.016 0.000 0.781 116 P CB 0.460 32.185 31.700 0.043 0.000 0.906 117 I N -0.363 120.185 120.570 -0.036 0.000 2.617 117 I HA 0.030 4.200 4.170 -0.000 0.000 0.256 117 I C 0.627 176.613 176.117 -0.218 0.000 1.167 117 I CA 0.676 61.890 61.300 -0.143 0.000 1.469 117 I CB -0.710 37.164 38.000 -0.209 0.000 1.098 117 I HN 0.230 nan 8.210 nan 0.000 0.436 118 H N 2.897 121.971 119.070 0.007 0.000 2.652 118 H HA 0.738 5.294 4.556 -0.000 0.000 0.298 118 H C -0.464 174.867 175.328 0.005 0.000 1.076 118 H CA -0.109 55.944 56.048 0.009 0.000 1.360 118 H CB 1.099 30.867 29.762 0.009 0.000 1.421 118 H HN 0.449 nan 8.280 nan 0.000 0.464 119 A N 3.743 126.616 122.820 0.089 0.000 2.515 119 A HA 0.251 4.571 4.320 -0.000 0.000 0.298 119 A C -0.608 177.001 177.584 0.042 0.000 1.059 119 A CA -0.991 51.078 52.037 0.054 0.000 0.698 119 A CB 1.418 20.434 19.000 0.027 0.000 1.289 119 A HN 0.539 nan 8.150 nan 0.000 0.404 120 D N 2.372 122.793 120.400 0.034 0.000 2.488 120 D HA 0.303 4.943 4.640 -0.000 0.000 0.238 120 D C -2.079 174.232 176.300 0.018 0.000 1.138 120 D CA 0.275 54.291 54.000 0.026 0.000 0.873 120 D CB 0.449 41.262 40.800 0.022 0.000 1.183 120 D HN 0.238 nan 8.370 nan 0.000 0.458 121 P HA 0.241 nan 4.420 nan 0.000 0.274 121 P C -2.541 174.765 177.300 0.010 0.000 1.237 121 P CA -1.284 61.821 63.100 0.008 0.000 0.793 121 P CB -0.237 31.470 31.700 0.012 0.000 0.977 122 P HA 0.047 nan 4.420 nan 0.000 0.260 122 P C 0.077 177.385 177.300 0.013 0.000 1.185 122 P CA 0.631 63.730 63.100 -0.003 0.000 0.763 122 P CB 0.118 31.805 31.700 -0.022 0.000 0.776 123 S N 2.125 117.842 115.700 0.030 0.000 2.580 123 S HA 0.000 4.470 4.470 -0.000 0.000 0.261 123 S C 1.086 175.740 174.600 0.091 0.000 1.366 123 S CA -0.416 57.826 58.200 0.070 0.000 0.996 123 S CB -0.118 63.124 63.200 0.070 0.000 0.902 123 S HN 0.447 nan 8.310 nan 0.000 0.566 124 F N 1.717 121.664 119.950 -0.005 0.000 2.120 124 F HA -0.210 4.317 4.527 -0.000 0.000 0.300 124 F C 2.261 178.056 175.800 -0.008 0.000 1.095 124 F CA 1.853 59.849 58.000 -0.007 0.000 1.249 124 F CB -0.592 38.405 39.000 -0.006 0.000 0.995 124 F HN 0.641 nan 8.300 nan 0.000 0.480 125 A N -0.307 122.624 122.820 0.185 0.000 1.972 125 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 125 A C 2.027 179.608 177.584 -0.004 0.000 1.169 125 A CA 1.816 53.910 52.037 0.094 0.000 0.635 125 A CB -0.732 18.325 19.000 0.096 0.000 0.810 125 A HN 0.571 nan 8.150 nan 0.000 0.446 126 E N -0.020 120.169 120.200 -0.018 0.000 2.216 126 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 126 E C 0.228 176.781 176.600 -0.080 0.000 0.988 126 E CA 0.065 56.441 56.400 -0.039 0.000 0.834 126 E CB -0.007 29.677 29.700 -0.026 0.000 0.772 126 E HN 0.579 nan 8.360 nan 0.000 0.479 127 Q N 1.164 120.882 119.800 -0.135 0.000 2.330 127 Q HA 0.063 4.403 4.340 -0.000 0.000 0.279 127 Q C -0.128 175.770 176.000 -0.170 0.000 1.024 127 Q CA 0.192 55.888 55.803 -0.178 0.000 0.900 127 Q CB 1.384 29.948 28.738 -0.289 0.000 1.221 127 Q HN -0.026 nan 8.270 nan 0.000 0.396 128 S N 0.830 116.452 115.700 -0.131 0.000 2.528 128 S HA 0.093 4.563 4.470 -0.000 0.000 0.277 128 S C 1.073 175.601 174.600 -0.120 0.000 1.297 128 S CA -0.222 57.914 58.200 -0.106 0.000 1.052 128 S CB 0.424 63.575 63.200 -0.080 0.000 0.917 128 S HN 0.652 nan 8.310 nan 0.000 0.492 129 T N 1.397 115.889 114.554 -0.102 0.000 3.129 129 T HA 0.268 4.618 4.350 -0.000 0.000 0.251 129 T C 0.241 174.900 174.700 -0.068 0.000 1.117 129 T CA -0.250 61.793 62.100 -0.096 0.000 1.034 129 T CB -0.071 68.752 68.868 -0.075 0.000 0.968 129 T HN 0.300 nan 8.240 nan 0.000 0.526 130 S N 0.914 116.576 115.700 -0.063 0.000 2.614 130 S HA 0.727 5.197 4.470 -0.000 0.000 0.288 130 S C -0.561 174.007 174.600 -0.054 0.000 1.137 130 S CA -0.897 57.272 58.200 -0.052 0.000 0.992 130 S CB 1.639 64.814 63.200 -0.041 0.000 1.026 130 S HN 0.627 nan 8.310 nan 0.000 0.486 131 A N 3.508 126.297 122.820 -0.052 0.000 2.274 131 A HA 0.686 5.006 4.320 -0.000 0.000 0.309 131 A C 0.300 177.858 177.584 -0.044 0.000 1.226 131 A CA -0.568 51.439 52.037 -0.050 0.000 0.853 131 A CB 0.337 19.307 19.000 -0.050 0.000 1.146 131 A HN 0.753 nan 8.150 nan 0.000 0.518 132 E N 2.760 122.935 120.200 -0.042 0.000 2.334 132 E HA 0.515 4.865 4.350 -0.000 0.000 0.256 132 E C -0.884 175.699 176.600 -0.029 0.000 0.958 132 E CA -0.815 55.564 56.400 -0.035 0.000 0.821 132 E CB 0.620 30.302 29.700 -0.030 0.000 1.269 132 E HN 0.353 nan 8.360 nan 0.000 0.413 133 I N 1.460 122.018 120.570 -0.020 0.000 2.371 133 I HA 0.150 4.320 4.170 -0.000 0.000 0.290 133 I C 0.329 176.452 176.117 0.009 0.000 1.028 133 I CA -0.805 60.497 61.300 0.003 0.000 1.345 133 I CB 0.357 38.357 38.000 -0.000 0.000 1.407 133 I HN 0.467 nan 8.210 nan 0.000 0.501 134 L N 6.773 128.008 121.223 0.020 0.000 2.363 134 L HA 0.163 4.503 4.340 -0.000 0.000 0.286 134 L C 0.808 177.717 176.870 0.065 0.000 1.106 134 L CA 0.149 54.980 54.840 -0.015 0.000 0.859 134 L CB -0.020 42.026 42.059 -0.021 0.000 1.223 134 L HN 0.590 nan 8.230 nan 0.000 0.446 135 E N 2.356 122.632 120.200 0.128 0.000 2.415 135 E HA -0.044 4.306 4.350 -0.000 0.000 0.260 135 E C 0.685 177.403 176.600 0.196 0.000 1.016 135 E CA 0.530 57.034 56.400 0.173 0.000 0.924 135 E CB 0.854 30.673 29.700 0.198 0.000 0.961 135 E HN 0.810 nan 8.360 nan 0.000 0.459 136 T N 1.399 115.967 114.554 0.023 0.000 2.983 136 T HA 0.232 4.582 4.350 -0.000 0.000 0.250 136 T C 1.424 176.094 174.700 -0.050 0.000 1.037 136 T CA 0.713 62.782 62.100 -0.052 0.000 1.142 136 T CB 0.143 68.871 68.868 -0.234 0.000 0.876 136 T HN 0.732 nan 8.240 nan 0.000 0.455 137 G N 1.409 110.186 108.800 -0.040 0.000 2.218 137 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.216 137 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.216 137 G C 0.014 174.913 174.900 -0.002 0.000 0.994 137 G CA -0.134 44.946 45.100 -0.033 0.000 0.637 137 G HN 0.657 nan 8.290 nan 0.000 0.505 138 I N 2.048 122.618 120.570 -0.001 0.000 2.297 138 I HA 0.278 4.448 4.170 -0.000 0.000 0.291 138 I C 1.619 177.763 176.117 0.045 0.000 1.033 138 I CA -0.757 60.594 61.300 0.084 0.000 1.253 138 I CB 1.249 39.350 38.000 0.169 0.000 1.396 138 I HN 0.008 nan 8.210 nan 0.000 0.476 139 K N 3.700 124.116 120.400 0.027 0.000 2.030 139 K HA -0.247 4.073 4.320 -0.000 0.000 0.222 139 K C 1.835 178.404 176.600 -0.051 0.000 1.056 139 K CA 2.166 58.443 56.287 -0.016 0.000 0.957 139 K CB -0.506 31.978 32.500 -0.028 0.000 0.727 139 K HN 0.574 nan 8.250 nan 0.000 0.452 140 V N 0.856 120.759 119.914 -0.019 0.000 2.277 140 V HA -0.284 3.836 4.120 -0.000 0.000 0.253 140 V C 2.367 178.447 176.094 -0.023 0.000 1.067 140 V CA 2.124 64.403 62.300 -0.036 0.000 1.047 140 V CB -0.922 30.928 31.823 0.044 0.000 0.649 140 V HN 0.135 nan 8.190 nan 0.000 0.447 141 V N 0.188 120.117 119.914 0.025 0.000 2.255 141 V HA -0.190 3.930 4.120 -0.000 0.000 0.243 141 V C 2.423 178.507 176.094 -0.018 0.000 1.038 141 V CA 2.209 64.509 62.300 -0.000 0.000 1.008 141 V CB -0.755 31.013 31.823 -0.093 0.000 0.645 141 V HN 0.492 nan 8.190 nan 0.000 0.449 142 D N -0.146 120.237 120.400 -0.029 0.000 2.158 142 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 142 D C 1.868 178.238 176.300 0.118 0.000 0.995 142 D CA 1.443 55.461 54.000 0.029 0.000 0.846 142 D CB -0.147 40.668 40.800 0.025 0.000 0.941 142 D HN 0.321 nan 8.370 nan 0.000 0.456 143 L N -0.161 121.063 121.223 0.002 0.000 2.062 143 L HA 0.014 4.354 4.340 -0.000 0.000 0.202 143 L C 2.182 179.052 176.870 -0.000 0.000 1.079 143 L CA 1.246 56.029 54.840 -0.094 0.000 0.755 143 L CB -0.324 41.514 42.059 -0.368 0.000 0.913 143 L HN -0.034 nan 8.230 nan 0.000 0.445 144 L N -0.854 120.337 121.223 -0.054 0.000 2.168 144 L HA 0.239 4.579 4.340 -0.000 0.000 0.203 144 L C 0.954 177.859 176.870 0.059 0.000 1.078 144 L CA 0.617 55.445 54.840 -0.020 0.000 0.780 144 L CB -0.437 41.577 42.059 -0.074 0.000 0.939 144 L HN 0.256 nan 8.230 nan 0.000 0.451 145 A N 0.832 123.699 122.820 0.079 0.000 3.159 145 A HA 0.480 4.800 4.320 -0.000 0.000 0.330 145 A C -2.507 175.187 177.584 0.182 0.000 1.032 145 A CA -1.219 50.895 52.037 0.128 0.000 0.841 145 A CB -0.294 18.788 19.000 0.137 0.000 1.093 145 A HN -0.093 nan 8.150 nan 0.000 0.478 146 P HA 0.115 nan 4.420 nan 0.000 0.271 146 P C -0.953 176.543 177.300 0.327 0.000 1.233 146 P CA 0.218 63.417 63.100 0.164 0.000 0.789 146 P CB 0.633 32.382 31.700 0.082 0.000 0.951 147 Y N -0.397 119.918 120.300 0.025 0.000 2.334 147 Y HA 0.441 4.991 4.550 -0.000 0.000 0.328 147 Y C 0.837 176.721 175.900 -0.027 0.000 1.130 147 Y CA -1.637 56.465 58.100 0.003 0.000 1.163 147 Y CB 0.786 39.249 38.460 0.004 0.000 1.207 147 Y HN 0.366 nan 8.280 nan 0.000 0.471 148 A N 4.759 127.604 122.820 0.041 0.000 2.309 148 A HA 0.358 4.678 4.320 -0.000 0.000 0.290 148 A C 0.419 177.978 177.584 -0.043 0.000 1.206 148 A CA -0.729 51.296 52.037 -0.020 0.000 0.850 148 A CB -0.086 18.878 19.000 -0.060 0.000 1.118 148 A HN 0.800 nan 8.150 nan 0.000 0.523 149 R N 2.447 122.923 120.500 -0.041 0.000 2.343 149 R HA 0.345 4.685 4.340 -0.000 0.000 0.326 149 R C 1.213 177.467 176.300 -0.077 0.000 1.055 149 R CA 1.351 57.410 56.100 -0.068 0.000 0.961 149 R CB -0.241 30.016 30.300 -0.073 0.000 0.978 149 R HN 1.538 nan 8.270 nan 0.000 0.443 150 G N 2.494 111.241 108.800 -0.089 0.000 2.176 150 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.253 150 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.253 150 G C 0.313 175.157 174.900 -0.092 0.000 0.979 150 G CA -0.095 44.953 45.100 -0.087 0.000 0.641 150 G HN 0.880 nan 8.290 nan 0.000 0.530 151 G N -0.647 108.091 108.800 -0.102 0.000 2.532 151 G HA2 0.681 4.641 3.960 -0.000 0.000 0.291 151 G HA3 0.681 4.641 3.960 -0.000 0.000 0.291 151 G C -0.395 174.411 174.900 -0.157 0.000 1.349 151 G CA -0.408 44.625 45.100 -0.111 0.000 1.038 151 G HN 0.435 nan 8.290 nan 0.000 0.518 152 K N -1.096 119.206 120.400 -0.164 0.000 2.316 152 K HA 0.642 4.962 4.320 -0.000 0.000 0.251 152 K C -1.252 175.193 176.600 -0.258 0.000 0.934 152 K CA -0.364 55.797 56.287 -0.210 0.000 0.802 152 K CB 2.388 34.788 32.500 -0.167 0.000 1.171 152 K HN 0.215 nan 8.250 nan 0.000 0.426 153 I N 1.290 121.663 120.570 -0.329 0.000 2.418 153 I HA 0.338 4.508 4.170 -0.000 0.000 0.287 153 I C 0.260 176.221 176.117 -0.260 0.000 1.008 153 I CA -0.365 60.719 61.300 -0.361 0.000 1.104 153 I CB 2.089 39.672 38.000 -0.694 0.000 1.264 153 I HN 0.682 nan 8.210 nan 0.000 0.438 154 G N 5.971 114.644 108.800 -0.211 0.000 2.361 154 G HA2 0.428 4.388 3.960 -0.000 0.000 0.260 154 G HA3 0.428 4.388 3.960 -0.000 0.000 0.260 154 G C -0.841 173.940 174.900 -0.198 0.000 1.261 154 G CA -0.219 44.713 45.100 -0.280 0.000 0.897 154 G HN 0.467 nan 8.290 nan 0.000 0.499 155 L N 3.593 124.632 121.223 -0.307 0.000 2.276 155 L HA 0.671 5.011 4.340 -0.000 0.000 0.286 155 L C -1.117 175.585 176.870 -0.279 0.000 1.024 155 L CA -0.958 53.806 54.840 -0.127 0.000 0.826 155 L CB 0.305 42.383 42.059 0.032 0.000 1.211 155 L HN 0.358 nan 8.230 nan 0.000 0.422 156 F N 3.189 123.158 119.950 0.032 0.000 2.470 156 F HA 0.836 5.363 4.527 0.000 0.000 0.329 156 F C 0.920 176.744 175.800 0.039 0.000 1.072 156 F CA -0.125 57.901 58.000 0.043 0.000 0.989 156 F CB 2.062 41.085 39.000 0.039 0.000 1.193 156 F HN 0.665 nan 8.300 nan 0.000 0.481 157 G N 0.977 109.925 108.800 0.248 0.000 3.233 157 G HA2 0.296 4.256 3.960 -0.000 0.000 0.686 157 G HA3 0.296 4.256 3.960 -0.000 0.000 0.686 157 G C 0.027 175.009 174.900 0.137 0.000 1.153 157 G CA -0.690 44.505 45.100 0.159 0.000 0.853 157 G HN 1.098 nan 8.290 nan 0.000 0.582 158 G N 0.899 109.778 108.800 0.132 0.000 2.937 158 G HA2 0.737 4.697 3.960 -0.000 0.000 0.160 158 G HA3 0.737 4.697 3.960 -0.000 0.000 0.160 158 G C 0.873 175.839 174.900 0.110 0.000 1.863 158 G CA 1.356 46.533 45.100 0.129 0.000 0.941 158 G HN 2.197 nan 8.290 nan 0.000 0.419 159 A N -3.210 119.667 122.820 0.095 0.000 2.386 159 A HA 0.669 4.989 4.320 -0.000 0.000 0.308 159 A C 0.842 178.471 177.584 0.075 0.000 1.128 159 A CA 0.437 52.524 52.037 0.085 0.000 0.789 159 A CB 1.037 20.081 19.000 0.073 0.000 1.325 159 A HN 2.338 nan 8.150 nan 0.000 0.437 160 G N -1.270 107.574 108.800 0.074 0.000 2.141 160 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.242 160 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.242 160 G C 0.572 175.525 174.900 0.088 0.000 0.982 160 G CA 0.941 46.084 45.100 0.072 0.000 0.662 160 G HN 2.078 nan 8.290 nan 0.000 0.527 161 V N -3.266 116.710 119.914 0.104 0.000 3.556 161 V HA 0.676 4.796 4.120 -0.000 0.000 0.287 161 V C 1.641 177.855 176.094 0.200 0.000 1.422 161 V CA 0.859 63.227 62.300 0.113 0.000 1.038 161 V CB 0.248 32.114 31.823 0.072 0.000 0.850 161 V HN 2.165 nan 8.190 nan 0.000 0.437 162 G N 1.802 110.722 108.800 0.199 0.000 2.303 162 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 162 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 162 G C 0.594 175.650 174.900 0.259 0.000 1.106 162 G CA 0.647 45.889 45.100 0.236 0.000 0.900 162 G HN 0.615 nan 8.290 nan 0.000 0.495 163 K N -0.319 120.201 120.400 0.199 0.000 2.002 163 K HA -0.139 4.181 4.320 -0.000 0.000 0.209 163 K C 2.864 179.618 176.600 0.256 0.000 1.048 163 K CA 2.399 58.819 56.287 0.221 0.000 0.930 163 K CB -0.278 32.328 32.500 0.176 0.000 0.714 163 K HN 0.645 nan 8.250 nan 0.000 0.438 164 T N -1.799 112.854 114.554 0.165 0.000 2.951 164 T HA -0.028 4.322 4.350 -0.000 0.000 0.268 164 T C 1.895 176.641 174.700 0.077 0.000 1.073 164 T CA 1.038 63.190 62.100 0.086 0.000 1.134 164 T CB -0.226 68.652 68.868 0.016 0.000 0.884 164 T HN 0.025 nan 8.240 nan 0.000 0.479 165 V N 0.331 120.327 119.914 0.138 0.000 2.427 165 V HA 0.042 4.162 4.120 -0.000 0.000 0.248 165 V C 2.157 178.334 176.094 0.139 0.000 1.051 165 V CA 1.388 63.782 62.300 0.158 0.000 1.048 165 V CB -1.050 30.895 31.823 0.204 0.000 0.666 165 V HN 0.481 nan 8.190 nan 0.000 0.456 166 F N 0.339 120.356 119.950 0.111 0.000 2.206 166 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 166 F C 2.051 177.845 175.800 -0.010 0.000 1.090 166 F CA 1.346 59.375 58.000 0.047 0.000 1.323 166 F CB -0.060 39.078 39.000 0.230 0.000 1.028 166 F HN 0.021 nan 8.300 nan 0.000 0.492 167 I N 0.125 120.803 120.570 0.180 0.000 2.179 167 I HA -0.327 3.843 4.170 -0.000 0.000 0.242 167 I C 2.172 178.178 176.117 -0.185 0.000 1.088 167 I CA 1.574 62.898 61.300 0.041 0.000 1.357 167 I CB -0.451 37.516 38.000 -0.055 0.000 1.051 167 I HN 0.170 nan 8.210 nan 0.000 0.409 168 Q N -0.180 119.511 119.800 -0.182 0.000 2.297 168 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 168 Q C 1.908 177.789 176.000 -0.199 0.000 0.962 168 Q CA 0.981 56.678 55.803 -0.177 0.000 0.879 168 Q CB 0.038 28.708 28.738 -0.112 0.000 0.947 168 Q HN 0.336 nan 8.270 nan 0.000 0.462 169 E N 0.749 120.739 120.200 -0.350 0.000 2.072 169 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 169 E C 1.570 177.948 176.600 -0.370 0.000 0.982 169 E CA 0.799 56.895 56.400 -0.506 0.000 0.803 169 E CB -0.066 28.941 29.700 -1.156 0.000 0.755 169 E HN 0.281 nan 8.360 nan 0.000 0.453 170 L N 0.134 121.163 121.223 -0.324 0.000 2.046 170 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 170 L C 2.426 179.327 176.870 0.051 0.000 1.077 170 L CA 1.081 55.858 54.840 -0.105 0.000 0.747 170 L CB -0.396 41.711 42.059 0.081 0.000 0.896 170 L HN 0.216 nan 8.230 nan 0.000 0.432 171 I N -0.026 120.610 120.570 0.109 0.000 2.151 171 I HA -0.369 3.801 4.170 -0.000 0.000 0.243 171 I C 2.467 178.604 176.117 0.033 0.000 1.080 171 I CA 1.599 62.969 61.300 0.118 0.000 1.339 171 I CB -0.475 37.551 38.000 0.044 0.000 1.039 171 I HN 0.409 nan 8.210 nan 0.000 0.409 172 N N 1.504 120.183 118.700 -0.035 0.000 2.025 172 N HA -0.216 4.524 4.740 -0.000 0.000 0.194 172 N C 1.542 177.022 175.510 -0.050 0.000 1.044 172 N CA 2.074 55.093 53.050 -0.050 0.000 0.851 172 N CB -0.454 37.981 38.487 -0.087 0.000 1.036 172 N HN 0.191 nan 8.380 nan 0.000 0.422 173 N N 0.275 118.931 118.700 -0.073 0.000 2.149 173 N HA -0.089 4.651 4.740 -0.000 0.000 0.188 173 N C 1.505 177.003 175.510 -0.019 0.000 1.019 173 N CA 0.865 53.876 53.050 -0.065 0.000 0.857 173 N CB -0.274 38.160 38.487 -0.089 0.000 0.997 173 N HN 0.366 nan 8.380 nan 0.000 0.426 174 I N 0.227 120.818 120.570 0.035 0.000 2.546 174 I HA -0.006 4.164 4.170 -0.000 0.000 0.255 174 I C 2.043 178.164 176.117 0.008 0.000 1.163 174 I CA 0.370 61.731 61.300 0.102 0.000 1.457 174 I CB -1.506 36.540 38.000 0.076 0.000 1.092 174 I HN 0.019 nan 8.210 nan 0.000 0.434 175 A N 0.740 123.537 122.820 -0.038 0.000 1.855 175 A HA -0.120 4.200 4.320 -0.000 0.000 0.213 175 A C 2.408 179.935 177.584 -0.095 0.000 1.195 175 A CA 0.986 52.962 52.037 -0.102 0.000 0.610 175 A CB -0.365 18.606 19.000 -0.049 0.000 0.837 175 A HN 0.121 nan 8.150 nan 0.000 0.444 176 K N -0.064 120.293 120.400 -0.071 0.000 1.987 176 K HA -0.158 4.162 4.320 -0.000 0.000 0.216 176 K C 2.196 178.734 176.600 -0.104 0.000 1.051 176 K CA 1.841 58.082 56.287 -0.077 0.000 0.942 176 K CB -0.519 31.939 32.500 -0.070 0.000 0.722 176 K HN 0.393 nan 8.250 nan 0.000 0.444 177 A N 0.131 122.865 122.820 -0.144 0.000 1.887 177 A HA -0.065 4.255 4.320 -0.000 0.000 0.212 177 A C 1.952 179.377 177.584 -0.265 0.000 1.198 177 A CA 0.876 52.769 52.037 -0.239 0.000 0.628 177 A CB -0.477 18.306 19.000 -0.362 0.000 0.847 177 A HN 0.351 nan 8.150 nan 0.000 0.449 178 H N -1.097 117.924 119.070 -0.082 0.000 2.525 178 H HA 0.189 4.745 4.556 -0.000 0.000 0.275 178 H C 1.552 176.804 175.328 -0.128 0.000 0.984 178 H CA 0.757 56.751 56.048 -0.090 0.000 1.264 178 H CB 0.090 29.804 29.762 -0.081 0.000 1.432 178 H HN 0.630 nan 8.280 nan 0.000 0.549 179 G N 0.771 109.531 108.800 -0.067 0.000 2.182 179 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.248 179 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.248 179 G C 0.494 175.192 174.900 -0.337 0.000 1.042 179 G CA 0.341 45.323 45.100 -0.197 0.000 0.775 179 G HN 0.724 nan 8.290 nan 0.000 0.501 180 G N -1.043 107.579 108.800 -0.296 0.000 2.452 180 G HA2 0.747 4.707 3.960 -0.000 0.000 0.324 180 G HA3 0.747 4.707 3.960 -0.000 0.000 0.324 180 G C -0.174 174.501 174.900 -0.374 0.000 1.214 180 G CA -0.968 43.914 45.100 -0.363 0.000 0.947 180 G HN 0.155 nan 8.290 nan 0.000 0.478 181 F N 0.487 120.288 119.950 -0.248 0.000 2.234 181 F HA 0.661 5.188 4.527 0.000 0.000 0.292 181 F C 1.132 176.860 175.800 -0.120 0.000 1.187 181 F CA -0.334 57.501 58.000 -0.275 0.000 1.128 181 F CB 1.099 39.716 39.000 -0.639 0.000 1.507 181 F HN 0.309 nan 8.300 nan 0.000 0.512 182 S N -0.693 115.134 115.700 0.211 0.000 2.569 182 S HA 0.762 5.232 4.470 -0.000 0.000 0.280 182 S C -1.471 173.279 174.600 0.251 0.000 1.111 182 S CA -0.760 57.588 58.200 0.246 0.000 0.887 182 S CB 2.286 65.681 63.200 0.325 0.000 1.095 182 S HN 0.255 nan 8.310 nan 0.000 0.476 183 V N 2.449 122.538 119.914 0.291 0.000 2.577 183 V HA 0.512 4.632 4.120 -0.000 0.000 0.303 183 V C -1.524 174.766 176.094 0.328 0.000 1.042 183 V CA -0.591 61.854 62.300 0.241 0.000 0.872 183 V CB 1.422 33.347 31.823 0.170 0.000 0.998 183 V HN 0.847 nan 8.190 nan 0.000 0.423 184 F N 3.585 123.592 119.950 0.096 0.000 2.375 184 F HA 0.647 5.174 4.527 -0.000 0.000 0.361 184 F C 0.348 176.114 175.800 -0.057 0.000 1.117 184 F CA -0.041 58.010 58.000 0.085 0.000 1.037 184 F CB 1.505 40.481 39.000 -0.040 0.000 1.192 184 F HN 0.482 nan 8.300 nan 0.000 0.452 185 T N 4.683 119.083 114.554 -0.257 0.000 2.749 185 T HA 0.472 4.822 4.350 -0.000 0.000 0.287 185 T C 0.268 174.856 174.700 -0.186 0.000 0.970 185 T CA -0.591 61.405 62.100 -0.173 0.000 0.980 185 T CB 1.208 70.008 68.868 -0.114 0.000 0.924 185 T HN 0.817 nan 8.240 nan 0.000 0.456 186 G N 2.408 111.305 108.800 0.163 0.000 2.571 186 G HA2 0.501 4.461 3.960 -0.000 0.000 0.327 186 G HA3 0.501 4.461 3.960 -0.000 0.000 0.327 186 G C -0.368 174.677 174.900 0.240 0.000 1.008 186 G CA -0.398 44.931 45.100 0.383 0.000 1.136 186 G HN 0.662 nan 8.290 nan 0.000 0.444 187 V N 2.509 122.498 119.914 0.125 0.000 2.370 187 V HA 0.613 4.733 4.120 -0.000 0.000 0.279 187 V C 1.339 177.491 176.094 0.097 0.000 1.029 187 V CA 0.562 62.926 62.300 0.106 0.000 0.870 187 V CB 0.853 32.736 31.823 0.100 0.000 0.984 187 V HN 1.259 nan 8.190 nan 0.000 0.451 188 G N 3.929 112.775 108.800 0.077 0.000 2.168 188 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.257 188 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.257 188 G C 0.174 175.109 174.900 0.058 0.000 0.997 188 G CA 0.543 45.674 45.100 0.052 0.000 0.708 188 G HN 0.905 nan 8.290 nan 0.000 0.520 189 E N 0.371 120.621 120.200 0.084 0.000 2.417 189 E HA 0.350 4.700 4.350 -0.000 0.000 0.261 189 E C 1.028 177.633 176.600 0.008 0.000 1.000 189 E CA -0.490 55.955 56.400 0.074 0.000 0.919 189 E CB 0.267 30.046 29.700 0.130 0.000 0.955 189 E HN 0.394 nan 8.360 nan 0.000 0.455 190 R N 3.388 123.887 120.500 -0.000 0.000 2.538 190 R HA -0.030 4.310 4.340 -0.000 0.000 0.282 190 R C 0.519 176.774 176.300 -0.075 0.000 1.009 190 R CA 0.701 56.786 56.100 -0.025 0.000 1.063 190 R CB 0.403 30.697 30.300 -0.011 0.000 0.945 190 R HN 0.751 nan 8.270 nan 0.000 0.414 191 T N 3.675 118.183 114.554 -0.077 0.000 2.708 191 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 191 T C 1.731 176.362 174.700 -0.115 0.000 1.037 191 T CA 1.203 63.232 62.100 -0.117 0.000 1.146 191 T CB -0.178 68.645 68.868 -0.075 0.000 0.865 191 T HN 0.595 nan 8.240 nan 0.000 0.435 192 R N 1.233 121.693 120.500 -0.067 0.000 2.133 192 R HA -0.189 4.151 4.340 -0.000 0.000 0.247 192 R C 2.037 178.304 176.300 -0.056 0.000 1.151 192 R CA 1.863 57.935 56.100 -0.047 0.000 0.971 192 R CB -0.154 30.131 30.300 -0.025 0.000 0.866 192 R HN 0.556 nan 8.270 nan 0.000 0.447 193 E N -1.471 118.689 120.200 -0.066 0.000 2.230 193 E HA -0.024 4.326 4.350 -0.000 0.000 0.192 193 E C 1.864 178.393 176.600 -0.119 0.000 0.987 193 E CA 0.623 56.989 56.400 -0.056 0.000 0.841 193 E CB 0.002 29.693 29.700 -0.016 0.000 0.783 193 E HN 0.550 nan 8.360 nan 0.000 0.481 194 G N 1.983 110.623 108.800 -0.266 0.000 2.418 194 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.217 194 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.217 194 G C 1.485 176.212 174.900 -0.289 0.000 1.158 194 G CA 0.643 45.392 45.100 -0.585 0.000 0.771 194 G HN 0.160 nan 8.290 nan 0.000 0.545 195 N N 1.079 119.688 118.700 -0.153 0.000 2.043 195 N HA -0.136 4.604 4.740 -0.000 0.000 0.193 195 N C 1.689 177.225 175.510 0.043 0.000 1.037 195 N CA 1.624 54.668 53.050 -0.010 0.000 0.851 195 N CB -0.306 38.174 38.487 -0.012 0.000 1.027 195 N HN 0.173 nan 8.380 nan 0.000 0.422 196 D N 0.861 121.264 120.400 0.005 0.000 2.123 196 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 196 D C 2.035 178.353 176.300 0.031 0.000 0.992 196 D CA 0.528 54.539 54.000 0.018 0.000 0.833 196 D CB -0.259 40.543 40.800 0.004 0.000 0.954 196 D HN 0.250 nan 8.370 nan 0.000 0.455 197 L N 0.128 121.363 121.223 0.019 0.000 2.046 197 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 197 L C 2.261 179.186 176.870 0.092 0.000 1.077 197 L CA 1.459 56.304 54.840 0.007 0.000 0.747 197 L CB -0.689 41.340 42.059 -0.049 0.000 0.896 197 L HN -0.025 nan 8.230 nan 0.000 0.432 198 Y N 0.529 120.832 120.300 0.004 0.000 2.114 198 Y HA -0.245 4.305 4.550 -0.000 0.000 0.284 198 Y C 2.935 178.840 175.900 0.008 0.000 1.143 198 Y CA 2.134 60.251 58.100 0.029 0.000 1.135 198 Y CB -0.531 37.971 38.460 0.070 0.000 0.980 198 Y HN 0.207 nan 8.280 nan 0.000 0.499 199 R N 0.460 120.958 120.500 -0.004 0.000 2.096 199 R HA -0.247 4.093 4.340 -0.000 0.000 0.240 199 R C 2.321 178.585 176.300 -0.060 0.000 1.139 199 R CA 2.152 58.197 56.100 -0.091 0.000 0.952 199 R CB -0.455 29.836 30.300 -0.015 0.000 0.854 199 R HN 0.569 nan 8.270 nan 0.000 0.436 200 E N -0.046 120.162 120.200 0.014 0.000 2.072 200 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 200 E C 2.087 178.698 176.600 0.018 0.000 0.985 200 E CA 1.054 57.499 56.400 0.075 0.000 0.801 200 E CB -0.016 29.753 29.700 0.116 0.000 0.750 200 E HN 0.371 nan 8.360 nan 0.000 0.452 201 M N 0.264 119.853 119.600 -0.017 0.000 2.279 201 M HA -0.147 4.333 4.480 -0.000 0.000 0.264 201 M C 2.069 178.318 176.300 -0.085 0.000 1.062 201 M CA 1.308 56.583 55.300 -0.041 0.000 1.099 201 M CB 0.028 32.623 32.600 -0.009 0.000 1.394 201 M HN 0.015 nan 8.290 nan 0.000 0.426 202 K N -0.037 120.266 120.400 -0.161 0.000 2.031 202 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 202 K C 1.759 178.270 176.600 -0.148 0.000 1.049 202 K CA 1.032 57.200 56.287 -0.198 0.000 0.939 202 K CB -0.128 32.175 32.500 -0.329 0.000 0.717 202 K HN 0.356 nan 8.250 nan 0.000 0.438 203 E N 0.071 120.190 120.200 -0.134 0.000 2.171 203 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 203 E C 1.813 178.282 176.600 -0.219 0.000 0.997 203 E CA 1.313 57.619 56.400 -0.158 0.000 0.810 203 E CB -0.004 29.623 29.700 -0.122 0.000 0.738 203 E HN 0.179 nan 8.360 nan 0.000 0.467 204 T N -1.918 112.533 114.554 -0.172 0.000 3.054 204 T HA 0.114 4.464 4.350 -0.000 0.000 0.259 204 T C 1.113 175.735 174.700 -0.130 0.000 1.092 204 T CA 0.999 62.992 62.100 -0.179 0.000 1.121 204 T CB 0.159 68.979 68.868 -0.080 0.000 0.912 204 T HN 0.426 nan 8.240 nan 0.000 0.489 205 G N 0.367 109.104 108.800 -0.105 0.000 2.157 205 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.239 205 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.239 205 G C 1.033 175.902 174.900 -0.052 0.000 0.982 205 G CA 0.691 45.744 45.100 -0.077 0.000 0.650 205 G HN 0.960 nan 8.290 nan 0.000 0.527 206 V N -2.057 117.828 119.914 -0.049 0.000 2.878 206 V HA 0.509 4.629 4.120 -0.000 0.000 0.250 206 V C 1.311 177.398 176.094 -0.012 0.000 1.075 206 V CA 1.085 63.369 62.300 -0.027 0.000 1.096 206 V CB 0.036 31.838 31.823 -0.036 0.000 0.724 206 V HN 0.400 nan 8.190 nan 0.000 0.467 207 I N 3.134 123.691 120.570 -0.022 0.000 2.347 207 I HA 0.365 4.535 4.170 -0.000 0.000 0.283 207 I C -0.297 175.799 176.117 -0.035 0.000 1.058 207 I CA -0.229 61.067 61.300 -0.006 0.000 1.202 207 I CB 0.723 38.745 38.000 0.036 0.000 1.386 207 I HN 0.152 nan 8.210 nan 0.000 0.475 208 N N 6.653 125.339 118.700 -0.023 0.000 2.439 208 N HA 0.213 4.953 4.740 -0.000 0.000 0.243 208 N C 0.811 176.309 175.510 -0.021 0.000 1.088 208 N CA 0.013 53.045 53.050 -0.030 0.000 0.940 208 N CB 0.869 39.343 38.487 -0.022 0.000 1.180 208 N HN 0.546 nan 8.380 nan 0.000 0.505 209 L N 2.237 123.441 121.223 -0.032 0.000 1.978 209 L HA -0.162 4.178 4.340 -0.000 0.000 0.218 209 L C 0.901 177.766 176.870 -0.008 0.000 1.075 209 L CA 1.452 56.282 54.840 -0.016 0.000 0.767 209 L CB -0.106 41.933 42.059 -0.034 0.000 0.890 209 L HN 0.577 nan 8.230 nan 0.000 0.434 210 E N -0.715 119.476 120.200 -0.015 0.000 2.462 210 E HA 0.277 4.627 4.350 -0.000 0.000 0.255 210 E C 0.179 176.774 176.600 -0.009 0.000 1.311 210 E CA -0.009 56.386 56.400 -0.009 0.000 1.629 210 E CB 0.285 29.979 29.700 -0.011 0.000 1.510 210 E HN 0.410 nan 8.360 nan 0.000 0.438 211 G N -0.075 108.721 108.800 -0.007 0.000 2.635 211 G HA2 0.143 4.103 3.960 -0.000 0.000 0.194 211 G HA3 0.143 4.103 3.960 -0.000 0.000 0.194 211 G C -1.075 173.826 174.900 0.001 0.000 1.198 211 G CA -0.721 44.377 45.100 -0.003 0.000 0.972 211 G HN 0.115 nan 8.290 nan 0.000 0.520 212 E N 0.534 120.738 120.200 0.007 0.000 2.197 212 E HA 0.566 4.916 4.350 -0.000 0.000 0.281 212 E C -0.748 175.859 176.600 0.012 0.000 0.995 212 E CA -0.147 56.262 56.400 0.015 0.000 0.808 212 E CB 1.727 31.453 29.700 0.043 0.000 1.093 212 E HN 0.186 nan 8.360 nan 0.000 0.394 213 S N 1.757 117.452 115.700 -0.009 0.000 2.593 213 S HA 0.237 4.707 4.470 -0.000 0.000 0.297 213 S C 0.671 175.265 174.600 -0.010 0.000 1.112 213 S CA -0.668 57.526 58.200 -0.010 0.000 1.043 213 S CB 1.330 64.519 63.200 -0.019 0.000 1.054 213 S HN 0.408 nan 8.310 nan 0.000 0.516 214 K N 0.497 120.922 120.400 0.043 0.000 2.348 214 K HA 0.267 4.587 4.320 -0.000 0.000 0.194 214 K C -0.043 176.620 176.600 0.106 0.000 1.052 214 K CA 0.284 56.657 56.287 0.143 0.000 1.004 214 K CB 0.666 33.244 32.500 0.131 0.000 0.873 214 K HN 0.326 nan 8.250 nan 0.000 0.523 215 V N 0.884 120.826 119.914 0.046 0.000 2.656 215 V HA 0.626 4.746 4.120 -0.000 0.000 0.307 215 V C -1.652 174.464 176.094 0.037 0.000 1.051 215 V CA -0.893 61.447 62.300 0.066 0.000 0.893 215 V CB 1.617 33.480 31.823 0.067 0.000 0.999 215 V HN 0.154 nan 8.190 nan 0.000 0.426 216 A N 7.335 130.193 122.820 0.063 0.000 2.274 216 A HA 0.781 5.101 4.320 -0.000 0.000 0.309 216 A C -0.653 176.927 177.584 -0.007 0.000 1.226 216 A CA -0.517 51.537 52.037 0.029 0.000 0.853 216 A CB 0.393 19.434 19.000 0.067 0.000 1.146 216 A HN 0.874 nan 8.150 nan 0.000 0.518 217 L N 2.702 123.858 121.223 -0.112 0.000 2.325 217 L HA 0.599 4.939 4.340 -0.000 0.000 0.279 217 L C -0.805 175.835 176.870 -0.384 0.000 1.054 217 L CA -0.779 53.879 54.840 -0.303 0.000 0.804 217 L CB 1.672 43.443 42.059 -0.479 0.000 1.200 217 L HN 0.408 nan 8.230 nan 0.000 0.436 218 V N 3.084 122.716 119.914 -0.470 0.000 2.488 218 V HA 0.392 4.512 4.120 -0.000 0.000 0.293 218 V C -0.894 175.015 176.094 -0.308 0.000 1.027 218 V CA -0.426 61.687 62.300 -0.311 0.000 0.862 218 V CB 1.475 33.219 31.823 -0.131 0.000 1.008 218 V HN 0.360 nan 8.190 nan 0.000 0.428 219 F N 2.292 122.265 119.950 0.038 0.000 2.444 219 F HA 0.754 5.281 4.527 -0.000 0.000 0.342 219 F C 0.865 176.681 175.800 0.025 0.000 1.121 219 F CA -1.172 56.855 58.000 0.045 0.000 0.997 219 F CB 2.219 41.238 39.000 0.032 0.000 1.130 219 F HN 0.519 nan 8.300 nan 0.000 0.454 220 G N 3.484 112.430 108.800 0.244 0.000 3.565 220 G HA2 0.393 4.353 3.960 -0.000 0.000 0.346 220 G HA3 0.393 4.353 3.960 -0.000 0.000 0.346 220 G C -0.500 174.467 174.900 0.112 0.000 1.363 220 G CA -0.494 44.687 45.100 0.134 0.000 1.134 220 G HN 0.559 nan 8.290 nan 0.000 0.471 221 Q N 0.825 120.678 119.800 0.088 0.000 2.428 221 Q HA 0.060 4.400 4.340 -0.000 0.000 0.276 221 Q C 1.827 177.842 176.000 0.026 0.000 1.059 221 Q CA 0.007 55.833 55.803 0.038 0.000 0.923 221 Q CB 1.142 29.883 28.738 0.005 0.000 1.283 221 Q HN 0.602 nan 8.270 nan 0.000 0.447 222 M N 2.277 121.885 119.600 0.012 0.000 2.195 222 M HA -0.239 4.241 4.480 -0.000 0.000 0.260 222 M C 1.109 177.410 176.300 0.002 0.000 1.066 222 M CA 1.875 57.179 55.300 0.007 0.000 1.089 222 M CB -0.075 32.526 32.600 0.001 0.000 1.377 222 M HN 0.753 nan 8.290 nan 0.000 0.411 223 N N -0.444 118.257 118.700 0.000 0.000 2.412 223 N HA -0.021 4.719 4.740 -0.000 0.000 0.184 223 N C -0.191 175.320 175.510 0.001 0.000 1.101 223 N CA 0.134 53.183 53.050 -0.001 0.000 0.881 223 N CB -0.223 38.261 38.487 -0.004 0.000 0.969 223 N HN 0.461 nan 8.380 nan 0.000 0.459 224 E N 1.782 121.986 120.200 0.006 0.000 2.371 224 E HA 0.234 4.584 4.350 -0.000 0.000 0.257 224 E C -2.171 174.430 176.600 0.002 0.000 1.134 224 E CA -1.743 54.662 56.400 0.008 0.000 0.919 224 E CB 0.562 30.273 29.700 0.018 0.000 1.025 224 E HN 0.224 nan 8.360 nan 0.000 0.438 225 P HA 0.052 nan 4.420 nan 0.000 0.274 225 P C -2.387 174.907 177.300 -0.011 0.000 1.231 225 P CA -1.345 61.752 63.100 -0.005 0.000 0.790 225 P CB 0.390 32.089 31.700 -0.002 0.000 0.951 226 P HA -0.152 nan 4.420 nan 0.000 0.218 226 P C 1.693 178.971 177.300 -0.036 0.000 1.148 226 P CA 1.852 64.929 63.100 -0.038 0.000 0.822 226 P CB -0.468 31.205 31.700 -0.046 0.000 0.784 227 G N 0.507 109.296 108.800 -0.019 0.000 2.491 227 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.218 227 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.218 227 G C 1.679 176.580 174.900 0.002 0.000 1.180 227 G CA 1.164 46.261 45.100 -0.006 0.000 0.774 227 G HN 0.350 nan 8.290 nan 0.000 0.562 228 A N 0.469 123.292 122.820 0.005 0.000 1.898 228 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 228 A C 2.455 180.047 177.584 0.013 0.000 1.181 228 A CA 1.714 53.759 52.037 0.014 0.000 0.620 228 A CB -0.357 18.654 19.000 0.018 0.000 0.819 228 A HN 0.336 nan 8.150 nan 0.000 0.442 229 R N -0.529 119.971 120.500 0.001 0.000 2.115 229 R HA 0.021 4.361 4.340 -0.000 0.000 0.230 229 R C 2.208 178.499 176.300 -0.016 0.000 1.111 229 R CA 1.078 57.179 56.100 0.001 0.000 0.976 229 R CB -0.337 29.954 30.300 -0.015 0.000 0.870 229 R HN 0.498 nan 8.270 nan 0.000 0.445 230 A N 0.411 123.194 122.820 -0.061 0.000 2.119 230 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 230 A C 1.651 179.227 177.584 -0.014 0.000 1.152 230 A CA 0.873 52.826 52.037 -0.140 0.000 0.708 230 A CB 0.041 18.937 19.000 -0.173 0.000 0.805 230 A HN 0.080 nan 8.150 nan 0.000 0.460 231 R N -0.724 119.792 120.500 0.027 0.000 2.221 231 R HA 0.053 4.393 4.340 -0.000 0.000 0.195 231 R C 1.962 178.280 176.300 0.030 0.000 0.956 231 R CA 1.241 57.362 56.100 0.034 0.000 1.064 231 R CB -0.998 29.313 30.300 0.019 0.000 1.049 231 R HN 0.464 nan 8.270 nan 0.000 0.534 232 V N 0.630 120.568 119.914 0.041 0.000 2.317 232 V HA -0.250 3.870 4.120 -0.000 0.000 0.251 232 V C 2.541 178.648 176.094 0.021 0.000 1.065 232 V CA 2.039 64.357 62.300 0.030 0.000 1.049 232 V CB -1.460 30.393 31.823 0.050 0.000 0.651 232 V HN 0.193 nan 8.190 nan 0.000 0.450 233 A N 0.977 123.837 122.820 0.066 0.000 1.917 233 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 233 A C 2.280 179.843 177.584 -0.035 0.000 1.182 233 A CA 2.470 54.520 52.037 0.022 0.000 0.633 233 A CB -0.712 18.340 19.000 0.087 0.000 0.819 233 A HN 0.594 nan 8.150 nan 0.000 0.448 234 L N -0.925 120.286 121.223 -0.021 0.000 2.093 234 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 234 L C 2.763 179.580 176.870 -0.089 0.000 1.085 234 L CA 1.671 56.460 54.840 -0.085 0.000 0.755 234 L CB -1.163 40.799 42.059 -0.162 0.000 0.904 234 L HN 0.368 nan 8.230 nan 0.000 0.435 235 T N -0.050 114.462 114.554 -0.070 0.000 2.684 235 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 235 T C 1.860 176.528 174.700 -0.054 0.000 1.036 235 T CA 1.535 63.598 62.100 -0.061 0.000 1.148 235 T CB -0.596 68.245 68.868 -0.044 0.000 0.863 235 T HN 0.553 nan 8.240 nan 0.000 0.436 236 G N 1.092 109.863 108.800 -0.048 0.000 2.422 236 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.218 236 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.218 236 G C 1.517 176.401 174.900 -0.027 0.000 1.140 236 G CA 0.511 45.588 45.100 -0.038 0.000 0.775 236 G HN 0.401 nan 8.290 nan 0.000 0.545 237 L N 1.172 122.366 121.223 -0.048 0.000 2.093 237 L HA 0.023 4.363 4.340 -0.000 0.000 0.208 237 L C 2.814 179.670 176.870 -0.024 0.000 1.085 237 L CA 2.432 57.244 54.840 -0.047 0.000 0.755 237 L CB -0.975 41.037 42.059 -0.079 0.000 0.904 237 L HN 0.159 nan 8.230 nan 0.000 0.435 238 T N 0.093 114.625 114.554 -0.036 0.000 2.708 238 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 238 T C 1.981 176.671 174.700 -0.016 0.000 1.037 238 T CA 2.071 64.155 62.100 -0.027 0.000 1.146 238 T CB -0.389 68.450 68.868 -0.048 0.000 0.865 238 T HN 0.355 nan 8.240 nan 0.000 0.435 239 I N 1.436 121.985 120.570 -0.035 0.000 2.286 239 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 239 I C 2.867 179.011 176.117 0.045 0.000 1.115 239 I CA 1.114 62.377 61.300 -0.063 0.000 1.392 239 I CB -0.452 37.523 38.000 -0.042 0.000 1.065 239 I HN 0.204 nan 8.210 nan 0.000 0.418 240 A N 0.194 123.084 122.820 0.118 0.000 1.968 240 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 240 A C 2.219 179.902 177.584 0.165 0.000 1.169 240 A CA 1.132 53.293 52.037 0.206 0.000 0.638 240 A CB -0.380 18.690 19.000 0.116 0.000 0.812 240 A HN 0.397 nan 8.150 nan 0.000 0.446 241 E N -1.554 118.697 120.200 0.085 0.000 2.072 241 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 241 E C 1.800 178.442 176.600 0.071 0.000 0.985 241 E CA 1.316 57.751 56.400 0.057 0.000 0.801 241 E CB -0.279 29.436 29.700 0.025 0.000 0.750 241 E HN 0.792 nan 8.360 nan 0.000 0.452 242 Y N 0.298 120.559 120.300 -0.064 0.000 2.181 242 Y HA -0.265 4.285 4.550 0.000 0.000 0.288 242 Y C 1.888 177.762 175.900 -0.044 0.000 1.146 242 Y CA 1.461 59.495 58.100 -0.111 0.000 1.164 242 Y CB -0.166 38.152 38.460 -0.237 0.000 0.982 242 Y HN -0.047 nan 8.280 nan 0.000 0.515 243 F N 0.490 120.561 119.950 0.202 0.000 2.161 243 F HA -0.179 4.348 4.527 0.000 0.000 0.300 243 F C 2.715 178.528 175.800 0.022 0.000 1.089 243 F CA 1.852 59.942 58.000 0.151 0.000 1.282 243 F CB -0.817 38.309 39.000 0.212 0.000 1.010 243 F HN 0.034 nan 8.300 nan 0.000 0.485 244 R N 0.513 121.126 120.500 0.188 0.000 2.061 244 R HA -0.145 4.195 4.340 -0.000 0.000 0.230 244 R C 1.764 178.056 176.300 -0.014 0.000 1.140 244 R CA 2.097 58.236 56.100 0.064 0.000 0.940 244 R CB -0.435 29.887 30.300 0.036 0.000 0.839 244 R HN 0.111 nan 8.270 nan 0.000 0.429 245 D N 0.153 120.511 120.400 -0.070 0.000 2.178 245 D HA -0.106 4.534 4.640 -0.000 0.000 0.202 245 D C 1.320 177.505 176.300 -0.193 0.000 0.974 245 D CA 1.022 54.948 54.000 -0.123 0.000 0.841 245 D CB 0.084 40.806 40.800 -0.129 0.000 0.953 245 D HN 0.334 nan 8.370 nan 0.000 0.478 246 E N -0.139 119.871 120.200 -0.318 0.000 2.490 246 E HA 0.107 4.457 4.350 -0.000 0.000 0.209 246 E C 0.784 177.294 176.600 -0.149 0.000 0.971 246 E CA 0.148 56.320 56.400 -0.379 0.000 0.988 246 E CB 0.729 29.843 29.700 -0.977 0.000 1.029 246 E HN 0.365 nan 8.360 nan 0.000 0.496 247 E N -0.120 120.063 120.200 -0.029 0.000 2.676 247 E HA 0.187 4.537 4.350 -0.000 0.000 0.222 247 E C 0.379 177.000 176.600 0.036 0.000 0.968 247 E CA 0.133 56.575 56.400 0.071 0.000 1.090 247 E CB 1.141 30.979 29.700 0.229 0.000 1.066 247 E HN 0.200 nan 8.360 nan 0.000 0.496 248 G N 2.517 111.320 108.800 0.004 0.000 2.283 248 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.280 248 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.280 248 G C 0.056 174.949 174.900 -0.012 0.000 1.029 248 G CA 0.601 45.694 45.100 -0.011 0.000 0.840 248 G HN 0.242 nan 8.290 nan 0.000 0.505 249 Q N -0.199 119.604 119.800 0.005 0.000 2.227 249 Q HA 0.408 4.748 4.340 -0.000 0.000 0.245 249 Q C -0.687 175.291 176.000 -0.036 0.000 0.926 249 Q CA -0.769 55.017 55.803 -0.027 0.000 0.895 249 Q CB 0.932 29.650 28.738 -0.033 0.000 1.230 249 Q HN 0.266 nan 8.270 nan 0.000 0.450 250 D N 1.599 121.953 120.400 -0.076 0.000 2.316 250 D HA 0.255 4.895 4.640 -0.000 0.000 0.245 250 D C -0.709 175.540 176.300 -0.084 0.000 1.171 250 D CA -0.021 53.920 54.000 -0.098 0.000 0.856 250 D CB 1.138 41.832 40.800 -0.176 0.000 1.090 250 D HN 0.085 nan 8.370 nan 0.000 0.476 251 V N 2.346 122.232 119.914 -0.046 0.000 2.919 251 V HA 0.464 4.584 4.120 -0.000 0.000 0.316 251 V C 0.275 176.352 176.094 -0.029 0.000 1.077 251 V CA -0.988 61.307 62.300 -0.008 0.000 0.977 251 V CB 2.101 33.974 31.823 0.083 0.000 1.039 251 V HN 0.341 nan 8.190 nan 0.000 0.441 252 L N 3.013 124.238 121.223 0.004 0.000 2.317 252 L HA 0.600 4.940 4.340 -0.000 0.000 0.281 252 L C -1.000 175.837 176.870 -0.056 0.000 1.024 252 L CA -0.562 54.232 54.840 -0.076 0.000 0.810 252 L CB 1.687 43.749 42.059 0.006 0.000 1.240 252 L HN 0.457 nan 8.230 nan 0.000 0.427 253 L N 3.763 124.850 121.223 -0.226 0.000 2.377 253 L HA 0.516 4.856 4.340 -0.000 0.000 0.270 253 L C -1.201 175.489 176.870 -0.300 0.000 0.991 253 L CA 0.118 54.871 54.840 -0.145 0.000 0.851 253 L CB 0.926 42.913 42.059 -0.121 0.000 1.218 253 L HN 0.191 nan 8.230 nan 0.000 0.420 254 F N 5.680 125.569 119.950 -0.103 0.000 2.408 254 F HA 0.537 5.064 4.527 -0.000 0.000 0.344 254 F C 0.161 175.698 175.800 -0.438 0.000 1.112 254 F CA -0.298 57.562 58.000 -0.234 0.000 1.096 254 F CB 1.183 40.073 39.000 -0.183 0.000 1.129 254 F HN 0.234 nan 8.300 nan 0.000 0.486 255 I N 3.320 123.763 120.570 -0.212 0.000 2.420 255 I HA 0.218 4.388 4.170 -0.000 0.000 0.282 255 I C -0.951 175.058 176.117 -0.180 0.000 1.019 255 I CA -0.344 60.818 61.300 -0.230 0.000 1.130 255 I CB 1.149 39.045 38.000 -0.173 0.000 1.262 255 I HN 0.451 nan 8.210 nan 0.000 0.454 256 D N 5.972 126.233 120.400 -0.233 0.000 2.440 256 D HA 0.244 4.884 4.640 -0.000 0.000 0.239 256 D C -1.112 175.223 176.300 0.059 0.000 1.084 256 D CA -0.354 53.628 54.000 -0.029 0.000 0.843 256 D CB 1.492 42.352 40.800 0.101 0.000 1.097 256 D HN 0.548 nan 8.370 nan 0.000 0.531 257 N N 2.881 121.636 118.700 0.091 0.000 2.269 257 N HA 0.145 4.885 4.740 -0.000 0.000 0.304 257 N C 0.613 176.199 175.510 0.127 0.000 1.072 257 N CA -0.697 52.412 53.050 0.099 0.000 0.802 257 N CB 1.455 40.030 38.487 0.146 0.000 1.348 257 N HN 0.219 nan 8.380 nan 0.000 0.484 258 I N 2.419 123.043 120.570 0.091 0.000 2.423 258 I HA -0.060 4.110 4.170 -0.000 0.000 0.254 258 I C 1.296 177.554 176.117 0.236 0.000 1.151 258 I CA 1.237 62.593 61.300 0.094 0.000 1.421 258 I CB -0.565 37.427 38.000 -0.014 0.000 1.079 258 I HN 0.736 nan 8.210 nan 0.000 0.431 259 F N 1.458 121.498 119.950 0.149 0.000 2.216 259 F HA -0.121 4.406 4.527 -0.000 0.000 0.300 259 F C 2.336 178.260 175.800 0.207 0.000 1.085 259 F CA 1.530 59.658 58.000 0.214 0.000 1.326 259 F CB -0.378 38.795 39.000 0.289 0.000 1.027 259 F HN -0.019 nan 8.300 nan 0.000 0.497 260 R N -1.016 119.511 120.500 0.045 0.000 2.313 260 R HA -0.041 4.299 4.340 -0.000 0.000 0.199 260 R C 1.932 178.218 176.300 -0.024 0.000 0.958 260 R CA 0.579 56.626 56.100 -0.088 0.000 1.047 260 R CB -0.493 29.819 30.300 0.019 0.000 0.955 260 R HN 0.429 nan 8.270 nan 0.000 0.481 261 F N 0.777 120.680 119.950 -0.079 0.000 2.128 261 F HA -0.120 4.407 4.527 0.000 0.000 0.295 261 F C 2.032 177.788 175.800 -0.074 0.000 1.100 261 F CA 1.409 59.372 58.000 -0.061 0.000 1.260 261 F CB -0.272 38.702 39.000 -0.044 0.000 1.009 261 F HN -0.200 nan 8.300 nan 0.000 0.476 262 T N 0.615 115.183 114.554 0.023 0.000 2.652 262 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 262 T C 1.890 176.496 174.700 -0.157 0.000 1.039 262 T CA 1.653 63.718 62.100 -0.059 0.000 1.153 262 T CB -0.309 68.605 68.868 0.078 0.000 0.863 262 T HN 0.240 nan 8.240 nan 0.000 0.428 263 Q N 0.597 120.210 119.800 -0.312 0.000 2.077 263 Q HA -0.088 4.252 4.340 -0.000 0.000 0.206 263 Q C 2.594 178.485 176.000 -0.181 0.000 0.989 263 Q CA 1.902 57.542 55.803 -0.272 0.000 0.853 263 Q CB -0.799 27.700 28.738 -0.398 0.000 0.907 263 Q HN 0.585 nan 8.270 nan 0.000 0.418 264 A N 0.064 122.761 122.820 -0.205 0.000 1.898 264 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 264 A C 2.334 179.795 177.584 -0.204 0.000 1.181 264 A CA 1.627 53.558 52.037 -0.177 0.000 0.620 264 A CB -0.949 17.953 19.000 -0.164 0.000 0.819 264 A HN 0.458 nan 8.150 nan 0.000 0.442 265 G N -0.715 107.894 108.800 -0.319 0.000 2.442 265 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 265 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 265 G C 1.930 176.754 174.900 -0.126 0.000 1.141 265 G CA 1.558 46.487 45.100 -0.286 0.000 0.763 265 G HN 0.587 nan 8.290 nan 0.000 0.554 266 S N 0.030 115.685 115.700 -0.075 0.000 2.383 266 S HA -0.065 4.405 4.470 -0.000 0.000 0.227 266 S C 2.198 176.770 174.600 -0.048 0.000 1.026 266 S CA 1.688 59.882 58.200 -0.009 0.000 0.981 266 S CB -0.266 62.957 63.200 0.039 0.000 0.818 266 S HN 0.567 nan 8.310 nan 0.000 0.472 267 E N 0.118 120.274 120.200 -0.074 0.000 2.047 267 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 267 E C 2.187 178.756 176.600 -0.052 0.000 0.987 267 E CA 1.378 57.738 56.400 -0.066 0.000 0.799 267 E CB -0.264 29.393 29.700 -0.071 0.000 0.752 267 E HN 0.359 nan 8.360 nan 0.000 0.449 268 V N 0.984 120.862 119.914 -0.059 0.000 2.287 268 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 268 V C 2.484 178.559 176.094 -0.031 0.000 1.053 268 V CA 2.047 64.320 62.300 -0.044 0.000 1.027 268 V CB -0.509 31.283 31.823 -0.053 0.000 0.646 268 V HN 0.273 nan 8.190 nan 0.000 0.447 269 S N -0.415 115.266 115.700 -0.032 0.000 2.370 269 S HA -0.206 4.264 4.470 -0.000 0.000 0.226 269 S C 2.114 176.707 174.600 -0.012 0.000 1.033 269 S CA 1.746 59.937 58.200 -0.015 0.000 1.011 269 S CB -0.353 62.844 63.200 -0.005 0.000 0.852 269 S HN 0.627 nan 8.310 nan 0.000 0.457 270 A N 1.188 123.997 122.820 -0.019 0.000 1.902 270 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 270 A C 2.190 179.763 177.584 -0.018 0.000 1.181 270 A CA 1.380 53.405 52.037 -0.021 0.000 0.623 270 A CB -0.760 18.219 19.000 -0.034 0.000 0.818 270 A HN 0.579 nan 8.150 nan 0.000 0.443 271 L N -0.609 120.603 121.223 -0.019 0.000 2.275 271 L HA -0.064 4.276 4.340 -0.000 0.000 0.215 271 L C 2.196 179.061 176.870 -0.008 0.000 1.119 271 L CA 0.470 55.301 54.840 -0.015 0.000 0.790 271 L CB -0.311 41.738 42.059 -0.016 0.000 0.919 271 L HN 0.357 nan 8.230 nan 0.000 0.443 272 L N -0.373 120.846 121.223 -0.006 0.000 2.376 272 L HA 0.011 4.351 4.340 -0.000 0.000 0.219 272 L C 1.353 178.224 176.870 0.002 0.000 1.133 272 L CA 0.791 55.631 54.840 0.000 0.000 0.816 272 L CB -0.422 41.637 42.059 0.001 0.000 0.933 272 L HN 0.529 nan 8.230 nan 0.000 0.449 273 G N 0.596 109.396 108.800 -0.001 0.000 2.141 273 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.195 273 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.195 273 G C 0.056 174.958 174.900 0.003 0.000 1.012 273 G CA -0.510 44.590 45.100 0.001 0.000 0.696 273 G HN 0.302 nan 8.290 nan 0.000 0.508 274 R N -0.242 120.260 120.500 0.003 0.000 2.297 274 R HA 0.520 4.860 4.340 -0.000 0.000 0.308 274 R C 0.795 177.100 176.300 0.009 0.000 1.029 274 R CA -0.716 55.388 56.100 0.008 0.000 0.929 274 R CB 1.093 31.399 30.300 0.010 0.000 1.046 274 R HN 0.315 nan 8.270 nan 0.000 0.461 275 I N 5.973 126.550 120.570 0.012 0.000 2.662 275 I HA 0.006 4.176 4.170 -0.000 0.000 0.285 275 I C -1.473 174.657 176.117 0.022 0.000 1.161 275 I CA -1.365 59.943 61.300 0.013 0.000 1.415 275 I CB 0.298 38.307 38.000 0.015 0.000 1.385 275 I HN 0.303 nan 8.210 nan 0.000 0.552 276 P HA 0.021 nan 4.420 nan 0.000 0.269 276 P C -0.121 177.213 177.300 0.056 0.000 1.209 276 P CA -0.069 63.050 63.100 0.031 0.000 0.776 276 P CB 1.146 32.849 31.700 0.004 0.000 0.876 277 S N 1.443 117.199 115.700 0.093 0.000 2.298 277 S HA 0.480 4.950 4.470 -0.000 0.000 0.245 277 S C 0.238 174.927 174.600 0.147 0.000 1.230 277 S CA -0.135 58.133 58.200 0.115 0.000 1.009 277 S CB -0.280 63.000 63.200 0.133 0.000 1.019 277 S HN 0.611 nan 8.310 nan 0.000 0.459 278 A N 0.009 122.944 122.820 0.190 0.000 2.488 278 A HA 0.473 4.793 4.320 -0.000 0.000 0.249 278 A C 0.191 178.013 177.584 0.397 0.000 1.083 278 A CA 0.049 52.229 52.037 0.238 0.000 0.768 278 A CB -1.164 17.958 19.000 0.203 0.000 1.017 278 A HN 1.305 nan 8.150 nan 0.000 0.496 279 F N 1.409 121.435 119.950 0.127 0.000 3.034 279 F HA -0.281 4.246 4.527 0.000 0.000 0.286 279 F C 1.386 177.165 175.800 -0.034 0.000 0.804 279 F CA 1.805 59.861 58.000 0.093 0.000 1.161 279 F CB -0.872 38.245 39.000 0.195 0.000 1.317 279 F HN 2.010 nan 8.300 nan 0.000 0.453 280 G N -1.914 106.868 108.800 -0.029 0.000 2.195 280 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.246 280 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.246 280 G C 0.370 175.208 174.900 -0.104 0.000 0.984 280 G CA -0.055 44.957 45.100 -0.148 0.000 0.633 280 G HN 0.638 nan 8.290 nan 0.000 0.525 281 Y N 1.958 122.315 120.300 0.095 0.000 2.279 281 Y HA 0.392 4.942 4.550 0.000 0.000 0.350 281 Y C 1.452 177.381 175.900 0.048 0.000 1.288 281 Y CA 0.402 58.553 58.100 0.085 0.000 1.547 281 Y CB 0.295 38.835 38.460 0.132 0.000 1.381 281 Y HN 0.415 nan 8.280 nan 0.000 0.630 282 Q N 1.329 121.272 119.800 0.237 0.000 2.306 282 Q HA 0.189 4.529 4.340 -0.000 0.000 0.241 282 Q C -2.436 173.632 176.000 0.113 0.000 0.948 282 Q CA -1.907 53.968 55.803 0.121 0.000 0.886 282 Q CB 0.836 29.618 28.738 0.074 0.000 1.227 282 Q HN 0.325 nan 8.270 nan 0.000 0.457 283 P HA -0.112 nan 4.420 nan 0.000 0.219 283 P C 0.711 178.047 177.300 0.060 0.000 1.146 283 P CA 1.730 64.869 63.100 0.065 0.000 0.808 283 P CB 0.017 31.745 31.700 0.046 0.000 0.779 284 T N -3.002 111.586 114.554 0.056 0.000 3.144 284 T HA 0.087 4.437 4.350 -0.000 0.000 0.249 284 T C 1.433 176.172 174.700 0.064 0.000 1.089 284 T CA -0.250 61.881 62.100 0.052 0.000 0.989 284 T CB -0.670 68.221 68.868 0.038 0.000 0.992 284 T HN -0.108 nan 8.240 nan 0.000 0.540 285 L N 2.444 123.709 121.223 0.070 0.000 2.030 285 L HA -0.192 4.148 4.340 -0.000 0.000 0.222 285 L C 2.638 179.561 176.870 0.088 0.000 1.082 285 L CA 2.320 57.201 54.840 0.069 0.000 0.785 285 L CB -1.260 40.820 42.059 0.036 0.000 0.895 285 L HN 0.345 nan 8.230 nan 0.000 0.439 286 A N -1.754 121.115 122.820 0.081 0.000 1.898 286 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 286 A C 2.289 179.942 177.584 0.116 0.000 1.181 286 A CA 2.436 54.534 52.037 0.102 0.000 0.620 286 A CB -1.257 17.792 19.000 0.082 0.000 0.819 286 A HN 0.661 nan 8.150 nan 0.000 0.442 287 T N -2.518 112.092 114.554 0.093 0.000 2.942 287 T HA -0.074 4.276 4.350 -0.000 0.000 0.265 287 T C 1.274 176.033 174.700 0.099 0.000 1.062 287 T CA 1.302 63.454 62.100 0.087 0.000 1.139 287 T CB -0.377 68.530 68.868 0.065 0.000 0.883 287 T HN 0.309 nan 8.240 nan 0.000 0.468 288 D N 1.271 121.741 120.400 0.116 0.000 2.084 288 D HA -0.041 4.599 4.640 -0.000 0.000 0.194 288 D C 1.905 178.364 176.300 0.264 0.000 0.990 288 D CA 1.110 55.215 54.000 0.175 0.000 0.826 288 D CB -0.485 40.391 40.800 0.127 0.000 0.971 288 D HN 0.291 nan 8.370 nan 0.000 0.453 289 M N 0.613 120.345 119.600 0.219 0.000 2.213 289 M HA 0.004 4.484 4.480 -0.000 0.000 0.263 289 M C 1.871 178.094 176.300 -0.128 0.000 1.062 289 M CA 1.592 56.932 55.300 0.067 0.000 1.105 289 M CB -0.640 32.007 32.600 0.077 0.000 1.385 289 M HN 0.025 nan 8.290 nan 0.000 0.417 290 G N -0.278 108.527 108.800 0.009 0.000 2.408 290 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.217 290 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.217 290 G C 1.524 176.418 174.900 -0.011 0.000 1.150 290 G CA 0.683 45.794 45.100 0.018 0.000 0.776 290 G HN 0.480 nan 8.290 nan 0.000 0.542 291 L N -0.399 120.839 121.223 0.026 0.000 2.093 291 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 291 L C 2.681 179.538 176.870 -0.022 0.000 1.085 291 L CA 0.716 55.577 54.840 0.035 0.000 0.755 291 L CB -0.254 41.861 42.059 0.095 0.000 0.904 291 L HN 0.285 nan 8.230 nan 0.000 0.435 292 L N -0.999 120.170 121.223 -0.090 0.000 2.095 292 L HA -0.133 4.207 4.340 -0.000 0.000 0.204 292 L C 2.583 179.303 176.870 -0.251 0.000 1.080 292 L CA 1.477 56.188 54.840 -0.215 0.000 0.759 292 L CB -0.363 41.399 42.059 -0.495 0.000 0.914 292 L HN 0.161 nan 8.230 nan 0.000 0.439 293 Q N -0.199 119.413 119.800 -0.314 0.000 2.096 293 Q HA -0.098 4.242 4.340 -0.000 0.000 0.197 293 Q C 1.986 177.891 176.000 -0.157 0.000 0.964 293 Q CA 1.120 56.725 55.803 -0.330 0.000 0.838 293 Q CB -0.196 28.128 28.738 -0.690 0.000 0.906 293 Q HN 0.604 nan 8.270 nan 0.000 0.444 294 E N 0.795 120.942 120.200 -0.089 0.000 2.333 294 E HA -0.131 4.219 4.350 -0.000 0.000 0.198 294 E C 1.845 178.425 176.600 -0.034 0.000 1.007 294 E CA 0.497 56.886 56.400 -0.018 0.000 0.845 294 E CB -0.023 29.689 29.700 0.021 0.000 0.766 294 E HN 0.295 nan 8.360 nan 0.000 0.507 295 R N 0.292 120.758 120.500 -0.056 0.000 2.119 295 R HA 0.093 4.433 4.340 -0.000 0.000 0.222 295 R C 0.988 177.251 176.300 -0.061 0.000 1.088 295 R CA 0.263 56.333 56.100 -0.051 0.000 0.984 295 R CB 0.015 30.284 30.300 -0.053 0.000 0.884 295 R HN 0.068 nan 8.270 nan 0.000 0.447 296 I N 1.719 122.238 120.570 -0.085 0.000 2.389 296 I HA 0.003 4.173 4.170 -0.000 0.000 0.295 296 I C 0.305 176.377 176.117 -0.076 0.000 1.117 296 I CA 0.497 61.742 61.300 -0.092 0.000 1.317 296 I CB 0.544 38.467 38.000 -0.127 0.000 1.431 296 I HN 0.021 nan 8.210 nan 0.000 0.521 297 T N 3.068 117.582 114.554 -0.067 0.000 2.677 297 T HA 0.313 4.663 4.350 -0.000 0.000 0.305 297 T C -0.788 173.874 174.700 -0.063 0.000 1.569 297 T CA -0.489 61.573 62.100 -0.063 0.000 0.984 297 T CB 1.609 70.445 68.868 -0.054 0.000 1.629 297 T HN 0.341 nan 8.240 nan 0.000 0.494 298 T N 2.494 117.008 114.554 -0.067 0.000 2.795 298 T HA 0.669 5.019 4.350 -0.000 0.000 0.282 298 T C 0.150 174.812 174.700 -0.063 0.000 0.980 298 T CA -0.448 61.613 62.100 -0.065 0.000 1.012 298 T CB 1.090 69.917 68.868 -0.069 0.000 0.936 298 T HN 0.879 nan 8.240 nan 0.000 0.457 299 T N -0.070 114.451 114.554 -0.055 0.000 2.905 299 T HA 0.477 4.827 4.350 -0.000 0.000 0.283 299 T C 0.994 175.666 174.700 -0.047 0.000 1.031 299 T CA -1.093 60.976 62.100 -0.051 0.000 1.002 299 T CB 1.440 70.283 68.868 -0.043 0.000 1.200 299 T HN 0.387 nan 8.240 nan 0.000 0.560 300 K N -0.055 120.320 120.400 -0.042 0.000 2.362 300 K HA 0.036 4.356 4.320 -0.000 0.000 0.200 300 K C 2.056 178.636 176.600 -0.034 0.000 1.046 300 K CA 0.571 56.836 56.287 -0.037 0.000 0.952 300 K CB 0.037 32.518 32.500 -0.032 0.000 0.753 300 K HN 0.326 nan 8.250 nan 0.000 0.466 301 K N 0.035 120.414 120.400 -0.036 0.000 2.017 301 K HA 0.039 4.359 4.320 -0.000 0.000 0.207 301 K C 1.500 178.080 176.600 -0.033 0.000 1.035 301 K CA 1.422 57.688 56.287 -0.034 0.000 0.947 301 K CB 0.033 32.509 32.500 -0.040 0.000 0.749 301 K HN 0.264 nan 8.250 nan 0.000 0.443 302 G N -0.528 108.251 108.800 -0.035 0.000 3.321 302 G HA2 0.339 4.299 3.960 -0.000 0.000 0.169 302 G HA3 0.339 4.299 3.960 -0.000 0.000 0.169 302 G C -1.209 173.664 174.900 -0.046 0.000 1.153 302 G CA 0.216 45.293 45.100 -0.038 0.000 1.007 302 G HN 0.317 nan 8.290 nan 0.000 0.668 303 S N -1.642 114.031 115.700 -0.045 0.000 2.580 303 S HA 0.514 4.984 4.470 -0.000 0.000 0.281 303 S C -1.643 172.929 174.600 -0.048 0.000 1.129 303 S CA -0.617 57.551 58.200 -0.053 0.000 0.862 303 S CB 1.432 64.588 63.200 -0.072 0.000 1.090 303 S HN 1.096 nan 8.310 nan 0.000 0.451 304 V N 1.922 121.806 119.914 -0.051 0.000 2.370 304 V HA 0.651 4.771 4.120 -0.000 0.000 0.283 304 V C -0.225 175.814 176.094 -0.093 0.000 1.023 304 V CA -0.322 61.945 62.300 -0.055 0.000 0.857 304 V CB 1.356 33.154 31.823 -0.041 0.000 0.985 304 V HN 0.999 nan 8.190 nan 0.000 0.443 305 T N 3.416 117.901 114.554 -0.115 0.000 2.791 305 T HA 0.350 4.700 4.350 -0.000 0.000 0.288 305 T C -0.019 174.549 174.700 -0.220 0.000 0.999 305 T CA -0.250 61.758 62.100 -0.154 0.000 0.952 305 T CB 1.356 70.143 68.868 -0.134 0.000 0.938 305 T HN 0.662 nan 8.240 nan 0.000 0.444 306 S N 2.956 118.509 115.700 -0.244 0.000 2.462 306 S HA 0.584 5.054 4.470 -0.000 0.000 0.294 306 S C -0.201 174.185 174.600 -0.356 0.000 1.144 306 S CA -0.607 57.412 58.200 -0.302 0.000 1.088 306 S CB 0.475 63.528 63.200 -0.245 0.000 1.009 306 S HN 0.461 nan 8.310 nan 0.000 0.484 307 V N 5.713 125.359 119.914 -0.446 0.000 2.394 307 V HA 0.458 4.578 4.120 -0.000 0.000 0.282 307 V C -0.305 175.663 176.094 -0.210 0.000 1.031 307 V CA -0.446 61.657 62.300 -0.328 0.000 0.881 307 V CB 1.354 33.005 31.823 -0.286 0.000 0.982 307 V HN 0.899 nan 8.190 nan 0.000 0.451 308 Q N 3.042 122.737 119.800 -0.175 0.000 2.290 308 Q HA 0.651 4.991 4.340 -0.000 0.000 0.269 308 Q C -0.416 175.486 176.000 -0.163 0.000 1.016 308 Q CA -0.503 55.206 55.803 -0.157 0.000 0.754 308 Q CB 2.224 30.845 28.738 -0.194 0.000 1.247 308 Q HN 0.899 nan 8.270 nan 0.000 0.451 309 A N 2.667 125.437 122.820 -0.084 0.000 2.451 309 A HA 0.442 4.762 4.320 -0.000 0.000 0.266 309 A C -0.147 177.357 177.584 -0.133 0.000 1.119 309 A CA -0.248 51.732 52.037 -0.096 0.000 0.786 309 A CB 0.191 19.213 19.000 0.038 0.000 1.061 309 A HN 0.491 nan 8.150 nan 0.000 0.503 310 V N 3.423 123.130 119.914 -0.344 0.000 2.435 310 V HA 0.301 4.421 4.120 -0.000 0.000 0.290 310 V C -0.457 175.620 176.094 -0.028 0.000 1.030 310 V CA -0.564 61.587 62.300 -0.248 0.000 0.881 310 V CB 1.002 32.497 31.823 -0.546 0.000 0.983 310 V HN 0.768 nan 8.190 nan 0.000 0.445 311 Y N 4.246 124.549 120.300 0.004 0.000 2.342 311 Y HA 0.658 5.208 4.550 0.000 0.000 0.334 311 Y C -0.323 175.494 175.900 -0.138 0.000 1.067 311 Y CA -0.755 57.313 58.100 -0.054 0.000 1.128 311 Y CB 1.823 40.223 38.460 -0.099 0.000 1.200 311 Y HN 0.402 nan 8.280 nan 0.000 0.464 312 V N 8.830 128.271 119.914 -0.788 0.000 2.304 312 V HA 0.314 4.434 4.120 -0.000 0.000 0.278 312 V C -2.252 173.333 176.094 -0.850 0.000 1.018 312 V CA -2.043 59.921 62.300 -0.560 0.000 0.814 312 V CB 0.773 32.489 31.823 -0.178 0.000 1.021 312 V HN 0.701 nan 8.190 nan 0.000 0.440 313 P HA 0.068 nan 4.420 nan 0.000 0.263 313 P C 0.673 177.862 177.300 -0.186 0.000 1.195 313 P CA 0.842 63.742 63.100 -0.333 0.000 0.762 313 P CB 0.849 32.514 31.700 -0.058 0.000 0.799 314 A N 3.904 126.665 122.820 -0.099 0.000 2.774 314 A HA -0.264 4.056 4.320 -0.000 0.000 0.290 314 A C 1.074 178.600 177.584 -0.098 0.000 1.484 314 A CA 1.318 53.323 52.037 -0.054 0.000 0.863 314 A CB -2.442 16.554 19.000 -0.007 0.000 0.989 314 A HN 0.644 nan 8.150 nan 0.000 0.554 315 D N -1.808 118.494 120.400 -0.164 0.000 3.070 315 D HA -0.225 4.415 4.640 -0.000 0.000 0.220 315 D C -0.098 176.117 176.300 -0.142 0.000 1.176 315 D CA 2.068 55.977 54.000 -0.153 0.000 0.924 315 D CB -0.971 39.769 40.800 -0.101 0.000 1.124 315 D HN 1.018 nan 8.370 nan 0.000 0.411 316 D N 0.190 120.501 120.400 -0.149 0.000 2.347 316 D HA 0.235 4.875 4.640 -0.000 0.000 0.235 316 D C 1.521 177.727 176.300 -0.157 0.000 1.149 316 D CA -0.359 53.554 54.000 -0.144 0.000 0.850 316 D CB 0.524 41.238 40.800 -0.142 0.000 1.061 316 D HN 0.068 nan 8.370 nan 0.000 0.487 317 L N 2.726 123.843 121.223 -0.177 0.000 2.240 317 L HA -0.054 4.286 4.340 -0.000 0.000 0.211 317 L C 2.412 179.168 176.870 -0.189 0.000 1.106 317 L CA 1.185 55.892 54.840 -0.221 0.000 0.793 317 L CB -0.493 41.349 42.059 -0.360 0.000 0.927 317 L HN 0.579 nan 8.230 nan 0.000 0.446 318 T N -3.757 110.700 114.554 -0.162 0.000 2.915 318 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 318 T C 0.951 175.578 174.700 -0.122 0.000 1.071 318 T CA 0.048 62.069 62.100 -0.133 0.000 1.132 318 T CB -0.420 68.378 68.868 -0.116 0.000 0.878 318 T HN 0.243 nan 8.240 nan 0.000 0.479 319 D N 3.038 123.349 120.400 -0.149 0.000 2.730 319 D HA -0.042 4.598 4.640 -0.000 0.000 0.225 319 D C -1.472 174.781 176.300 -0.079 0.000 1.107 319 D CA -0.868 53.047 54.000 -0.142 0.000 0.837 319 D CB 1.114 41.851 40.800 -0.104 0.000 1.171 319 D HN 0.089 nan 8.370 nan 0.000 0.498 320 P HA -0.173 nan 4.420 nan 0.000 0.216 320 P C 0.934 178.090 177.300 -0.240 0.000 1.153 320 P CA 2.114 65.114 63.100 -0.167 0.000 0.858 320 P CB 0.075 31.651 31.700 -0.207 0.000 0.789 321 A N 0.371 122.981 122.820 -0.351 0.000 1.835 321 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 321 A C -0.015 177.641 177.584 0.120 0.000 1.199 321 A CA 2.380 54.354 52.037 -0.105 0.000 0.615 321 A CB -2.313 16.815 19.000 0.213 0.000 0.838 321 A HN 0.224 nan 8.150 nan 0.000 0.444 322 P HA -0.057 nan 4.420 nan 0.000 0.221 322 P C 1.493 178.969 177.300 0.293 0.000 1.150 322 P CA 1.749 65.012 63.100 0.273 0.000 0.800 322 P CB -0.133 31.696 31.700 0.215 0.000 0.787 323 A N 0.328 123.210 122.820 0.103 0.000 1.902 323 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 323 A C 2.254 179.914 177.584 0.126 0.000 1.181 323 A CA 2.390 54.465 52.037 0.064 0.000 0.623 323 A CB -1.842 17.145 19.000 -0.021 0.000 0.818 323 A HN 0.227 nan 8.150 nan 0.000 0.443 324 T N -0.406 114.209 114.554 0.103 0.000 2.777 324 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 324 T C 1.969 176.794 174.700 0.208 0.000 1.040 324 T CA 1.827 64.001 62.100 0.124 0.000 1.141 324 T CB -0.681 68.238 68.868 0.085 0.000 0.868 324 T HN 0.503 nan 8.240 nan 0.000 0.444 325 T N 1.753 116.433 114.554 0.210 0.000 2.708 325 T HA -0.005 4.345 4.350 -0.000 0.000 0.266 325 T C 1.580 176.390 174.700 0.185 0.000 1.037 325 T CA 0.908 63.119 62.100 0.185 0.000 1.146 325 T CB -0.643 68.311 68.868 0.142 0.000 0.865 325 T HN 0.239 nan 8.240 nan 0.000 0.435 326 F N 1.795 121.801 119.950 0.094 0.000 2.192 326 F HA -0.101 4.426 4.527 -0.000 0.000 0.301 326 F C 2.550 178.372 175.800 0.037 0.000 1.079 326 F CA 0.798 58.843 58.000 0.076 0.000 1.303 326 F CB -0.544 38.493 39.000 0.061 0.000 1.024 326 F HN 0.145 nan 8.300 nan 0.000 0.494 327 A N -1.325 121.599 122.820 0.174 0.000 2.019 327 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 327 A C 1.822 179.319 177.584 -0.145 0.000 1.164 327 A CA 1.684 53.717 52.037 -0.006 0.000 0.644 327 A CB -0.815 18.137 19.000 -0.080 0.000 0.805 327 A HN 0.494 nan 8.150 nan 0.000 0.449 328 H N -1.302 117.766 119.070 -0.003 0.000 2.575 328 H HA 0.287 4.843 4.556 0.000 0.000 0.267 328 H C 0.053 175.331 175.328 -0.082 0.000 0.966 328 H CA -0.094 55.927 56.048 -0.045 0.000 1.165 328 H CB 0.100 29.823 29.762 -0.064 0.000 1.433 328 H HN 0.324 nan 8.280 nan 0.000 0.544 329 L N 1.460 122.677 121.223 -0.010 0.000 2.397 329 L HA 0.032 4.372 4.340 -0.000 0.000 0.271 329 L C 0.887 177.716 176.870 -0.068 0.000 1.148 329 L CA 0.092 54.874 54.840 -0.097 0.000 0.825 329 L CB 0.865 42.785 42.059 -0.232 0.000 1.117 329 L HN 0.071 nan 8.230 nan 0.000 0.456 330 D N 1.205 121.553 120.400 -0.086 0.000 2.454 330 D HA 0.278 4.918 4.640 -0.000 0.000 0.219 330 D C 0.173 176.447 176.300 -0.043 0.000 1.081 330 D CA 0.395 54.360 54.000 -0.059 0.000 0.867 330 D CB 1.335 42.093 40.800 -0.069 0.000 1.054 330 D HN 0.549 nan 8.370 nan 0.000 0.500 331 A N 0.405 123.183 122.820 -0.071 0.000 2.606 331 A HA 0.620 4.940 4.320 -0.000 0.000 0.293 331 A C -0.831 176.742 177.584 -0.017 0.000 1.082 331 A CA -0.577 51.450 52.037 -0.017 0.000 0.685 331 A CB 1.613 20.616 19.000 0.005 0.000 1.284 331 A HN -0.040 nan 8.150 nan 0.000 0.408 332 T N -0.932 113.665 114.554 0.071 0.000 2.848 332 T HA 0.699 5.049 4.350 -0.000 0.000 0.285 332 T C -0.449 174.366 174.700 0.191 0.000 0.995 332 T CA -0.456 61.733 62.100 0.147 0.000 0.970 332 T CB 1.385 70.377 68.868 0.206 0.000 0.976 332 T HN 0.581 nan 8.240 nan 0.000 0.441 333 T N 2.661 117.350 114.554 0.225 0.000 2.799 333 T HA 0.573 4.923 4.350 -0.000 0.000 0.286 333 T C -0.334 174.482 174.700 0.193 0.000 0.973 333 T CA -0.557 61.657 62.100 0.190 0.000 1.035 333 T CB 1.138 70.118 68.868 0.188 0.000 0.932 333 T HN 0.631 nan 8.240 nan 0.000 0.469 334 V N 5.183 125.164 119.914 0.111 0.000 2.407 334 V HA 0.398 4.518 4.120 -0.000 0.000 0.291 334 V C -0.253 175.858 176.094 0.028 0.000 1.018 334 V CA -0.798 61.569 62.300 0.113 0.000 0.842 334 V CB 1.222 33.078 31.823 0.055 0.000 0.996 334 V HN 0.729 nan 8.190 nan 0.000 0.426 335 L N 3.889 125.129 121.223 0.028 0.000 2.292 335 L HA 0.679 5.019 4.340 -0.000 0.000 0.284 335 L C 0.274 177.159 176.870 0.025 0.000 1.065 335 L CA 0.065 54.898 54.840 -0.011 0.000 0.806 335 L CB 1.724 43.765 42.059 -0.029 0.000 1.175 335 L HN 0.662 nan 8.230 nan 0.000 0.431 336 S N 2.349 118.051 115.700 0.004 0.000 2.672 336 S HA 0.286 4.756 4.470 -0.000 0.000 0.291 336 S C 0.584 175.178 174.600 -0.010 0.000 1.145 336 S CA -0.797 57.406 58.200 0.006 0.000 1.013 336 S CB 1.501 64.701 63.200 0.000 0.000 1.017 336 S HN 0.735 nan 8.310 nan 0.000 0.487 337 R N 3.175 123.676 120.500 0.002 0.000 2.249 337 R HA -0.053 4.287 4.340 -0.000 0.000 0.230 337 R C 1.734 178.022 176.300 -0.018 0.000 1.121 337 R CA 1.902 57.998 56.100 -0.006 0.000 0.997 337 R CB -0.679 29.628 30.300 0.011 0.000 0.867 337 R HN 0.787 nan 8.270 nan 0.000 0.465 338 G N 0.895 109.686 108.800 -0.014 0.000 2.404 338 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.214 338 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.214 338 G C 1.289 176.175 174.900 -0.023 0.000 1.189 338 G CA 0.245 45.337 45.100 -0.012 0.000 0.789 338 G HN 0.165 nan 8.290 nan 0.000 0.533 339 I N 2.558 123.110 120.570 -0.030 0.000 2.361 339 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 339 I C 3.070 179.129 176.117 -0.097 0.000 1.133 339 I CA 1.721 62.997 61.300 -0.040 0.000 1.413 339 I CB -1.096 36.885 38.000 -0.032 0.000 1.073 339 I HN 0.358 nan 8.210 nan 0.000 0.424 340 S N 0.403 116.016 115.700 -0.144 0.000 2.387 340 S HA -0.134 4.336 4.470 -0.000 0.000 0.226 340 S C 1.791 176.281 174.600 -0.183 0.000 1.026 340 S CA 0.717 58.748 58.200 -0.280 0.000 0.972 340 S CB -0.512 62.520 63.200 -0.280 0.000 0.814 340 S HN 0.461 nan 8.310 nan 0.000 0.477 341 E N 0.940 121.088 120.200 -0.087 0.000 2.204 341 E HA -0.001 4.349 4.350 -0.000 0.000 0.195 341 E C 1.674 178.256 176.600 -0.029 0.000 0.990 341 E CA 0.988 57.363 56.400 -0.042 0.000 0.821 341 E CB -0.334 29.354 29.700 -0.020 0.000 0.750 341 E HN 0.536 nan 8.360 nan 0.000 0.477 342 L N -1.168 120.037 121.223 -0.031 0.000 2.492 342 L HA 0.069 4.409 4.340 -0.000 0.000 0.223 342 L C 1.635 178.502 176.870 -0.006 0.000 1.132 342 L CA 0.673 55.507 54.840 -0.010 0.000 0.850 342 L CB 0.288 42.352 42.059 0.010 0.000 0.966 342 L HN 0.326 nan 8.230 nan 0.000 0.454 343 G N -0.648 108.144 108.800 -0.014 0.000 2.253 343 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.209 343 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.209 343 G C 0.299 175.281 174.900 0.135 0.000 0.997 343 G CA -0.467 44.678 45.100 0.076 0.000 0.640 343 G HN 0.052 nan 8.290 nan 0.000 0.496 344 I N 2.309 122.910 120.570 0.051 0.000 2.574 344 I HA 0.276 4.446 4.170 -0.000 0.000 0.291 344 I C -0.097 175.944 176.117 -0.127 0.000 1.131 344 I CA -0.441 60.895 61.300 0.060 0.000 1.352 344 I CB -1.407 36.625 38.000 0.053 0.000 1.431 344 I HN 0.087 nan 8.210 nan 0.000 0.543 345 Y N 8.152 128.445 120.300 -0.012 0.000 2.331 345 Y HA 0.395 4.945 4.550 -0.000 0.000 0.338 345 Y C -1.791 173.951 175.900 -0.264 0.000 0.992 345 Y CA -2.459 55.579 58.100 -0.103 0.000 1.121 345 Y CB 1.265 39.655 38.460 -0.118 0.000 1.184 345 Y HN 0.432 nan 8.280 nan 0.000 0.469 346 P HA 0.110 nan 4.420 nan 0.000 0.274 346 P C -0.523 176.809 177.300 0.053 0.000 1.237 346 P CA -0.333 62.851 63.100 0.140 0.000 0.793 346 P CB 1.090 33.027 31.700 0.396 0.000 0.977 347 A N 2.269 125.105 122.820 0.026 0.000 2.840 347 A HA 0.257 4.577 4.320 -0.000 0.000 0.269 347 A C 0.548 178.110 177.584 -0.037 0.000 1.439 347 A CA -0.303 51.700 52.037 -0.058 0.000 1.083 347 A CB -1.230 17.715 19.000 -0.093 0.000 1.019 347 A HN 0.338 nan 8.150 nan 0.000 0.607 348 V N 0.530 120.431 119.914 -0.022 0.000 2.811 348 V HA 0.075 4.195 4.120 -0.000 0.000 0.302 348 V C 0.387 176.477 176.094 -0.008 0.000 1.063 348 V CA -0.407 61.873 62.300 -0.033 0.000 1.088 348 V CB 1.250 33.072 31.823 -0.001 0.000 0.982 348 V HN 0.539 nan 8.190 nan 0.000 0.485 349 D N 4.710 125.109 120.400 -0.002 0.000 2.412 349 D HA 0.298 4.938 4.640 -0.000 0.000 0.224 349 D C -1.861 174.444 176.300 0.009 0.000 1.093 349 D CA -1.672 52.331 54.000 0.004 0.000 0.850 349 D CB 2.268 43.069 40.800 0.002 0.000 1.046 349 D HN 0.249 nan 8.370 nan 0.000 0.507 350 P HA -0.015 nan 4.420 nan 0.000 0.222 350 P C 1.342 178.641 177.300 -0.002 0.000 1.147 350 P CA 0.703 63.801 63.100 -0.004 0.000 0.790 350 P CB 0.499 32.196 31.700 -0.006 0.000 0.780 351 L N -1.823 119.403 121.223 0.006 0.000 2.357 351 L HA 0.093 4.433 4.340 -0.000 0.000 0.211 351 L C 1.801 178.673 176.870 0.004 0.000 1.075 351 L CA 0.940 55.783 54.840 0.006 0.000 0.830 351 L CB -0.438 41.627 42.059 0.011 0.000 0.996 351 L HN -0.133 nan 8.230 nan 0.000 0.467 352 D N -0.300 120.100 120.400 0.001 0.000 2.240 352 D HA -0.026 4.614 4.640 -0.000 0.000 0.206 352 D C 0.570 176.871 176.300 0.000 0.000 0.963 352 D CA 0.310 54.303 54.000 -0.011 0.000 0.863 352 D CB 0.428 41.216 40.800 -0.021 0.000 0.973 352 D HN 0.037 nan 8.370 nan 0.000 0.501 353 S N 1.007 116.721 115.700 0.023 0.000 2.414 353 S HA 0.257 4.727 4.470 -0.000 0.000 0.290 353 S C -0.117 174.520 174.600 0.063 0.000 1.160 353 S CA -0.235 57.999 58.200 0.056 0.000 1.069 353 S CB 0.927 64.170 63.200 0.071 0.000 1.012 353 S HN 0.078 nan 8.310 nan 0.000 0.510 354 K N 1.605 122.046 120.400 0.068 0.000 2.221 354 K HA 0.703 5.023 4.320 -0.000 0.000 0.243 354 K C -0.322 176.329 176.600 0.085 0.000 0.968 354 K CA -0.602 55.727 56.287 0.070 0.000 0.846 354 K CB 1.771 34.305 32.500 0.057 0.000 1.141 354 K HN 0.469 nan 8.250 nan 0.000 0.434 355 S N 0.431 116.182 115.700 0.084 0.000 2.572 355 S HA 0.272 4.742 4.470 -0.000 0.000 0.274 355 S C -0.040 174.600 174.600 0.066 0.000 1.150 355 S CA -0.806 57.442 58.200 0.081 0.000 0.944 355 S CB 1.051 64.317 63.200 0.110 0.000 1.071 355 S HN 0.664 nan 8.310 nan 0.000 0.479 356 R N 3.146 123.672 120.500 0.043 0.000 2.236 356 R HA 0.194 4.534 4.340 -0.000 0.000 0.208 356 R C 1.094 177.403 176.300 0.015 0.000 1.036 356 R CA 0.657 56.773 56.100 0.028 0.000 1.001 356 R CB -0.203 30.104 30.300 0.012 0.000 0.896 356 R HN 0.588 nan 8.270 nan 0.000 0.464 357 L N 1.010 122.244 121.223 0.019 0.000 2.612 357 L HA 0.065 4.405 4.340 -0.000 0.000 0.230 357 L C 0.537 177.408 176.870 0.001 0.000 1.140 357 L CA -0.096 54.743 54.840 -0.002 0.000 0.896 357 L CB -0.002 42.054 42.059 -0.005 0.000 1.065 357 L HN 0.112 nan 8.230 nan 0.000 0.447 358 L N 0.966 122.221 121.223 0.053 0.000 2.480 358 L HA 0.290 4.630 4.340 -0.000 0.000 0.243 358 L C -0.465 176.491 176.870 0.144 0.000 1.315 358 L CA 0.467 55.387 54.840 0.133 0.000 1.231 358 L CB -0.491 41.682 42.059 0.190 0.000 1.444 358 L HN -0.006 nan 8.230 nan 0.000 0.409 359 D N 0.569 120.953 120.400 -0.027 0.000 2.671 359 D HA 0.379 5.019 4.640 -0.000 0.000 0.232 359 D C 0.676 176.823 176.300 -0.256 0.000 1.114 359 D CA 0.085 53.928 54.000 -0.261 0.000 0.858 359 D CB 2.511 43.205 40.800 -0.178 0.000 1.544 359 D HN 0.226 nan 8.370 nan 0.000 0.471 360 A N 2.317 124.876 122.820 -0.435 0.000 2.076 360 A HA -0.016 4.304 4.320 -0.000 0.000 0.220 360 A C 1.746 179.268 177.584 -0.104 0.000 1.160 360 A CA 1.882 53.804 52.037 -0.191 0.000 0.653 360 A CB -0.329 18.555 19.000 -0.193 0.000 0.801 360 A HN 0.545 nan 8.150 nan 0.000 0.455 361 A N -1.269 121.478 122.820 -0.122 0.000 2.235 361 A HA 0.352 4.672 4.320 -0.000 0.000 0.208 361 A C 1.580 179.126 177.584 -0.063 0.000 1.172 361 A CA 1.390 53.380 52.037 -0.078 0.000 0.786 361 A CB -0.143 18.811 19.000 -0.077 0.000 0.804 361 A HN 0.375 nan 8.150 nan 0.000 0.479 362 V N -1.602 118.269 119.914 -0.072 0.000 3.279 362 V HA -0.049 4.071 4.120 -0.000 0.000 0.213 362 V C 2.275 178.320 176.094 -0.080 0.000 1.335 362 V CA 0.941 63.201 62.300 -0.067 0.000 1.317 362 V CB 0.022 31.804 31.823 -0.069 0.000 1.209 362 V HN 0.344 nan 8.190 nan 0.000 0.525 363 V N -0.174 119.664 119.914 -0.127 0.000 2.667 363 V HA 0.492 4.612 4.120 -0.000 0.000 0.252 363 V C 0.970 177.015 176.094 -0.082 0.000 1.065 363 V CA 1.128 63.283 62.300 -0.241 0.000 1.083 363 V CB -1.063 30.381 31.823 -0.632 0.000 0.692 363 V HN 1.251 nan 8.190 nan 0.000 0.468 364 G N 0.077 108.877 108.800 -0.000 0.000 3.226 364 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.685 364 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.685 364 G C -0.262 174.714 174.900 0.127 0.000 1.207 364 G CA 0.200 45.340 45.100 0.067 0.000 0.877 364 G HN 0.487 nan 8.290 nan 0.000 0.585 365 Q N 0.704 120.563 119.800 0.098 0.000 2.118 365 Q HA -0.188 4.152 4.340 -0.000 0.000 0.211 365 Q C 2.187 178.295 176.000 0.178 0.000 0.998 365 Q CA 3.047 58.928 55.803 0.129 0.000 0.872 365 Q CB -0.165 28.623 28.738 0.083 0.000 0.925 365 Q HN 0.840 nan 8.270 nan 0.000 0.414 366 E N -1.186 119.100 120.200 0.143 0.000 2.031 366 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 366 E C 1.997 178.694 176.600 0.161 0.000 0.994 366 E CA 1.284 57.762 56.400 0.129 0.000 0.800 366 E CB -0.374 29.387 29.700 0.101 0.000 0.752 366 E HN 0.619 nan 8.360 nan 0.000 0.447 367 H N -0.089 119.034 119.070 0.089 0.000 2.352 367 H HA -0.214 4.342 4.556 -0.000 0.000 0.299 367 H C 1.968 177.352 175.328 0.094 0.000 1.097 367 H CA 2.014 58.110 56.048 0.080 0.000 1.311 367 H CB -0.629 29.179 29.762 0.077 0.000 1.377 367 H HN 0.291 nan 8.280 nan 0.000 0.504 368 Y N 1.870 122.344 120.300 0.290 0.000 2.097 368 Y HA -0.221 4.329 4.550 -0.000 0.000 0.282 368 Y C 2.150 178.114 175.900 0.107 0.000 1.152 368 Y CA 2.265 60.483 58.100 0.196 0.000 1.136 368 Y CB -0.614 37.905 38.460 0.098 0.000 0.975 368 Y HN 0.193 nan 8.280 nan 0.000 0.498 369 D N -0.539 119.875 120.400 0.024 0.000 2.133 369 D HA -0.194 4.446 4.640 -0.000 0.000 0.195 369 D C 2.391 178.623 176.300 -0.112 0.000 0.997 369 D CA 1.787 55.737 54.000 -0.083 0.000 0.840 369 D CB -0.455 40.365 40.800 0.033 0.000 0.947 369 D HN 0.308 nan 8.370 nan 0.000 0.452 370 V N 0.961 120.830 119.914 -0.074 0.000 2.261 370 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 370 V C 2.462 178.468 176.094 -0.147 0.000 1.047 370 V CA 1.930 64.177 62.300 -0.088 0.000 1.015 370 V CB -0.918 30.849 31.823 -0.093 0.000 0.642 370 V HN 0.222 nan 8.190 nan 0.000 0.446 371 A N -0.418 122.282 122.820 -0.201 0.000 1.933 371 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 371 A C 2.474 179.942 177.584 -0.195 0.000 1.175 371 A CA 2.101 54.023 52.037 -0.193 0.000 0.628 371 A CB -0.705 18.239 19.000 -0.094 0.000 0.814 371 A HN 0.501 nan 8.150 nan 0.000 0.444 372 S N -0.480 115.033 115.700 -0.311 0.000 2.359 372 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 372 S C 2.024 176.513 174.600 -0.184 0.000 1.035 372 S CA 1.659 59.644 58.200 -0.358 0.000 1.018 372 S CB -0.210 62.615 63.200 -0.625 0.000 0.876 372 S HN 0.609 nan 8.310 nan 0.000 0.448 373 K N 0.733 121.048 120.400 -0.141 0.000 2.228 373 K HA 0.053 4.373 4.320 -0.000 0.000 0.202 373 K C 1.932 178.504 176.600 -0.047 0.000 1.051 373 K CA 0.459 56.703 56.287 -0.072 0.000 0.960 373 K CB -0.069 32.405 32.500 -0.044 0.000 0.743 373 K HN 0.181 nan 8.250 nan 0.000 0.458 374 V N 1.671 121.548 119.914 -0.062 0.000 2.261 374 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 374 V C 2.167 178.238 176.094 -0.038 0.000 1.047 374 V CA 1.742 64.017 62.300 -0.043 0.000 1.015 374 V CB -0.466 31.291 31.823 -0.109 0.000 0.642 374 V HN 0.389 nan 8.190 nan 0.000 0.446 375 Q N -0.183 119.582 119.800 -0.058 0.000 2.096 375 Q HA -0.282 4.058 4.340 -0.000 0.000 0.204 375 Q C 2.314 178.307 176.000 -0.012 0.000 0.982 375 Q CA 2.038 57.821 55.803 -0.033 0.000 0.850 375 Q CB -0.313 28.402 28.738 -0.039 0.000 0.901 375 Q HN 0.713 nan 8.270 nan 0.000 0.422 376 E N 0.091 120.278 120.200 -0.022 0.000 2.085 376 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 376 E C 1.626 178.234 176.600 0.014 0.000 0.994 376 E CA 1.654 58.050 56.400 -0.007 0.000 0.801 376 E CB 0.141 29.830 29.700 -0.019 0.000 0.743 376 E HN 0.362 nan 8.360 nan 0.000 0.453 377 T N 1.332 115.895 114.554 0.014 0.000 2.668 377 T HA -0.125 4.225 4.350 -0.000 0.000 0.262 377 T C 1.958 176.697 174.700 0.065 0.000 1.045 377 T CA 1.140 63.260 62.100 0.032 0.000 1.152 377 T CB -0.292 68.587 68.868 0.018 0.000 0.864 377 T HN 0.137 nan 8.240 nan 0.000 0.419 378 L N 0.804 122.058 121.223 0.051 0.000 2.191 378 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 378 L C 2.834 179.778 176.870 0.124 0.000 1.103 378 L CA 1.013 55.906 54.840 0.089 0.000 0.769 378 L CB -0.387 41.699 42.059 0.045 0.000 0.908 378 L HN 0.212 nan 8.230 nan 0.000 0.438 379 Q N -0.139 119.704 119.800 0.071 0.000 2.079 379 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 379 Q C 2.202 178.236 176.000 0.057 0.000 0.974 379 Q CA 2.240 58.075 55.803 0.053 0.000 0.840 379 Q CB -0.240 28.513 28.738 0.026 0.000 0.898 379 Q HN 0.548 nan 8.270 nan 0.000 0.430 380 T N -1.871 112.722 114.554 0.065 0.000 3.035 380 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 380 T C 1.534 176.287 174.700 0.089 0.000 1.109 380 T CA 0.987 63.122 62.100 0.058 0.000 1.119 380 T CB -0.491 68.407 68.868 0.049 0.000 0.900 380 T HN 0.359 nan 8.240 nan 0.000 0.503 381 Y N 2.271 122.569 120.300 -0.003 0.000 2.206 381 Y HA 0.145 4.695 4.550 -0.000 0.000 0.292 381 Y C 2.474 178.372 175.900 -0.003 0.000 1.123 381 Y CA 1.210 59.309 58.100 -0.002 0.000 1.142 381 Y CB -0.197 38.264 38.460 0.001 0.000 1.006 381 Y HN 0.080 nan 8.280 nan 0.000 0.518 382 K N -0.060 120.354 120.400 0.023 0.000 2.152 382 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 382 K C 2.024 178.565 176.600 -0.099 0.000 1.048 382 K CA 1.788 58.043 56.287 -0.054 0.000 0.933 382 K CB -0.258 32.258 32.500 0.028 0.000 0.721 382 K HN 0.485 nan 8.250 nan 0.000 0.447 383 S N 0.174 115.833 115.700 -0.068 0.000 2.446 383 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 383 S C 1.867 176.414 174.600 -0.089 0.000 1.016 383 S CA 0.253 58.416 58.200 -0.063 0.000 0.943 383 S CB -0.164 63.017 63.200 -0.031 0.000 0.786 383 S HN 0.283 nan 8.310 nan 0.000 0.508 384 L N 0.903 122.052 121.223 -0.124 0.000 2.478 384 L HA 0.118 4.458 4.340 -0.000 0.000 0.223 384 L C 2.633 179.390 176.870 -0.189 0.000 1.140 384 L CA 0.551 55.312 54.840 -0.132 0.000 0.842 384 L CB -0.381 41.615 42.059 -0.106 0.000 0.953 384 L HN 0.365 nan 8.230 nan 0.000 0.452 385 Q N -0.290 119.349 119.800 -0.269 0.000 2.439 385 Q HA -0.200 4.140 4.340 -0.000 0.000 0.211 385 Q C 1.300 177.217 176.000 -0.138 0.000 0.978 385 Q CA 0.841 56.492 55.803 -0.253 0.000 0.897 385 Q CB 0.049 28.621 28.738 -0.275 0.000 0.956 385 Q HN 0.523 nan 8.270 nan 0.000 0.483 386 D N 0.678 121.013 120.400 -0.108 0.000 2.077 386 D HA -0.138 4.502 4.640 -0.000 0.000 0.196 386 D C 1.922 178.187 176.300 -0.059 0.000 0.986 386 D CA 1.221 55.179 54.000 -0.070 0.000 0.829 386 D CB 0.019 40.785 40.800 -0.057 0.000 0.983 386 D HN 0.342 nan 8.370 nan 0.000 0.453 387 I N -0.637 119.899 120.570 -0.057 0.000 2.546 387 I HA -0.152 4.018 4.170 -0.000 0.000 0.255 387 I C 1.862 177.955 176.117 -0.041 0.000 1.163 387 I CA 0.658 61.933 61.300 -0.042 0.000 1.457 387 I CB 0.012 37.992 38.000 -0.034 0.000 1.092 387 I HN -0.146 nan 8.210 nan 0.000 0.434 388 I N 2.443 122.980 120.570 -0.055 0.000 2.286 388 I HA -0.177 3.993 4.170 -0.000 0.000 0.248 388 I C 2.790 178.884 176.117 -0.038 0.000 1.115 388 I CA 1.557 62.829 61.300 -0.047 0.000 1.392 388 I CB -1.761 36.200 38.000 -0.065 0.000 1.065 388 I HN 0.398 nan 8.210 nan 0.000 0.418 389 A N -0.218 122.575 122.820 -0.045 0.000 2.209 389 A HA 0.022 4.342 4.320 -0.000 0.000 0.212 389 A C 2.227 179.795 177.584 -0.026 0.000 1.158 389 A CA 0.895 52.911 52.037 -0.034 0.000 0.742 389 A CB -0.335 18.642 19.000 -0.038 0.000 0.790 389 A HN 0.435 nan 8.150 nan 0.000 0.472 390 I N -2.545 118.009 120.570 -0.026 0.000 3.812 390 I HA 0.138 4.308 4.170 -0.000 0.000 0.292 390 I C 1.583 177.690 176.117 -0.017 0.000 1.206 390 I CA 0.457 61.744 61.300 -0.021 0.000 1.370 390 I CB 0.287 38.274 38.000 -0.022 0.000 1.328 390 I HN 0.134 nan 8.210 nan 0.000 0.453 391 L N 0.226 121.439 121.223 -0.018 0.000 2.817 391 L HA 0.457 4.797 4.340 -0.000 0.000 0.248 391 L C 0.765 177.628 176.870 -0.011 0.000 1.133 391 L CA 0.017 54.848 54.840 -0.014 0.000 0.935 391 L CB 0.612 42.663 42.059 -0.014 0.000 1.266 391 L HN 0.349 nan 8.230 nan 0.000 0.535 392 G N -0.064 108.728 108.800 -0.013 0.000 2.781 392 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.683 392 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.683 392 G C 0.206 175.102 174.900 -0.007 0.000 1.390 392 G CA -0.284 44.810 45.100 -0.009 0.000 0.850 392 G HN -0.042 nan 8.290 nan 0.000 0.557 393 M N 0.284 119.883 119.600 -0.001 0.000 2.659 393 M HA 0.013 4.493 4.480 -0.000 0.000 0.243 393 M C 1.569 177.872 176.300 0.006 0.000 1.111 393 M CA 1.195 56.498 55.300 0.005 0.000 1.070 393 M CB -0.408 32.200 32.600 0.014 0.000 1.525 393 M HN 0.573 nan 8.290 nan 0.000 0.517 394 D N 0.791 121.192 120.400 0.003 0.000 2.123 394 D HA -0.089 4.551 4.640 -0.000 0.000 0.200 394 D C 1.125 177.425 176.300 0.001 0.000 0.976 394 D CA 1.022 55.024 54.000 0.003 0.000 0.831 394 D CB -0.055 40.746 40.800 0.001 0.000 0.974 394 D HN 0.229 nan 8.370 nan 0.000 0.469 395 E N 0.486 120.685 120.200 -0.001 0.000 2.379 395 E HA 0.087 4.437 4.350 -0.000 0.000 0.209 395 E C 0.016 176.615 176.600 -0.002 0.000 1.284 395 E CA 0.027 56.426 56.400 -0.003 0.000 1.333 395 E CB -0.073 29.624 29.700 -0.005 0.000 1.307 395 E HN 0.337 nan 8.360 nan 0.000 0.441 396 L N 1.033 122.256 121.223 0.001 0.000 2.334 396 L HA 0.215 4.555 4.340 -0.000 0.000 0.276 396 L C 0.706 177.580 176.870 0.006 0.000 1.014 396 L CA -0.638 54.204 54.840 0.003 0.000 0.815 396 L CB 1.768 43.832 42.059 0.008 0.000 1.268 396 L HN 0.051 nan 8.230 nan 0.000 0.428 397 S N 0.842 116.546 115.700 0.006 0.000 2.593 397 S HA 0.090 4.560 4.470 -0.000 0.000 0.269 397 S C 0.830 175.435 174.600 0.009 0.000 1.334 397 S CA -0.715 57.488 58.200 0.006 0.000 1.015 397 S CB 0.969 64.172 63.200 0.005 0.000 0.912 397 S HN 0.588 nan 8.310 nan 0.000 0.541 398 E N 0.612 120.817 120.200 0.007 0.000 2.331 398 E HA -0.201 4.149 4.350 -0.000 0.000 0.199 398 E C 1.552 178.158 176.600 0.009 0.000 1.008 398 E CA 1.170 57.575 56.400 0.008 0.000 0.843 398 E CB -0.230 29.473 29.700 0.005 0.000 0.761 398 E HN 0.864 nan 8.360 nan 0.000 0.507 399 Q N -0.193 119.613 119.800 0.010 0.000 2.378 399 Q HA -0.031 4.309 4.340 -0.000 0.000 0.229 399 Q C 0.942 176.953 176.000 0.017 0.000 0.882 399 Q CA 0.111 55.921 55.803 0.011 0.000 0.936 399 Q CB 0.556 29.300 28.738 0.009 0.000 1.092 399 Q HN 0.010 nan 8.270 nan 0.000 0.535 400 D N 0.713 121.124 120.400 0.019 0.000 2.249 400 D HA -0.104 4.536 4.640 -0.000 0.000 0.205 400 D C 1.360 177.682 176.300 0.036 0.000 0.962 400 D CA 0.953 54.969 54.000 0.026 0.000 0.860 400 D CB 0.253 41.064 40.800 0.019 0.000 0.955 400 D HN 0.347 nan 8.370 nan 0.000 0.505 401 K N -0.023 120.394 120.400 0.028 0.000 2.356 401 K HA 0.061 4.381 4.320 -0.000 0.000 0.195 401 K C 1.861 178.478 176.600 0.030 0.000 1.037 401 K CA 0.093 56.400 56.287 0.033 0.000 1.014 401 K CB 0.050 32.565 32.500 0.025 0.000 0.815 401 K HN -0.015 nan 8.250 nan 0.000 0.507 402 L N 2.309 123.545 121.223 0.022 0.000 2.044 402 L HA -0.066 4.274 4.340 -0.000 0.000 0.205 402 L C 2.285 179.161 176.870 0.011 0.000 1.075 402 L CA 2.087 56.935 54.840 0.014 0.000 0.747 402 L CB -0.346 41.718 42.059 0.009 0.000 0.903 402 L HN 0.454 nan 8.230 nan 0.000 0.435 403 T N -4.795 109.770 114.554 0.018 0.000 3.088 403 T HA 0.003 4.353 4.350 -0.000 0.000 0.259 403 T C 1.692 176.406 174.700 0.023 0.000 1.122 403 T CA 0.833 62.941 62.100 0.014 0.000 1.095 403 T CB -0.338 68.542 68.868 0.020 0.000 0.930 403 T HN 0.106 nan 8.240 nan 0.000 0.508 404 V N 1.227 121.176 119.914 0.060 0.000 2.535 404 V HA -0.019 4.101 4.120 -0.000 0.000 0.246 404 V C 2.724 178.841 176.094 0.038 0.000 1.045 404 V CA 1.313 63.685 62.300 0.120 0.000 1.058 404 V CB -0.352 31.593 31.823 0.204 0.000 0.689 404 V HN 0.506 nan 8.190 nan 0.000 0.461 405 E N -0.018 120.194 120.200 0.021 0.000 2.070 405 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 405 E C 2.492 179.048 176.600 -0.074 0.000 1.004 405 E CA 1.431 57.825 56.400 -0.010 0.000 0.805 405 E CB -0.118 29.584 29.700 0.004 0.000 0.744 405 E HN 0.483 nan 8.360 nan 0.000 0.451 406 R N -0.149 120.304 120.500 -0.079 0.000 2.092 406 R HA -0.057 4.283 4.340 -0.000 0.000 0.231 406 R C 2.333 178.525 176.300 -0.179 0.000 1.119 406 R CA 0.859 56.881 56.100 -0.130 0.000 0.970 406 R CB -0.212 30.041 30.300 -0.077 0.000 0.864 406 R HN 0.101 nan 8.270 nan 0.000 0.440 407 A N 1.371 124.083 122.820 -0.181 0.000 1.877 407 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 407 A C 2.127 179.455 177.584 -0.426 0.000 1.186 407 A CA 1.203 53.061 52.037 -0.298 0.000 0.620 407 A CB -0.414 18.353 19.000 -0.388 0.000 0.822 407 A HN 0.206 nan 8.150 nan 0.000 0.443 408 R N -0.269 119.960 120.500 -0.453 0.000 2.105 408 R HA -0.155 4.185 4.340 -0.000 0.000 0.239 408 R C 2.220 178.399 176.300 -0.202 0.000 1.135 408 R CA 1.860 57.763 56.100 -0.328 0.000 0.967 408 R CB -0.248 29.952 30.300 -0.168 0.000 0.861 408 R HN 0.563 nan 8.270 nan 0.000 0.442 409 K N 0.316 120.555 120.400 -0.269 0.000 2.001 409 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 409 K C 2.081 178.451 176.600 -0.383 0.000 1.048 409 K CA 1.314 57.314 56.287 -0.478 0.000 0.932 409 K CB -0.208 31.742 32.500 -0.916 0.000 0.715 409 K HN 0.072 nan 8.250 nan 0.000 0.437 410 I N 1.583 121.995 120.570 -0.263 0.000 2.145 410 I HA -0.384 3.786 4.170 -0.000 0.000 0.244 410 I C 2.848 179.060 176.117 0.159 0.000 1.075 410 I CA 1.508 62.829 61.300 0.035 0.000 1.332 410 I CB -0.265 37.798 38.000 0.106 0.000 1.033 410 I HN 0.310 nan 8.210 nan 0.000 0.410 411 Q N 0.625 120.435 119.800 0.017 0.000 2.124 411 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 411 Q C 2.341 178.407 176.000 0.110 0.000 0.977 411 Q CA 1.418 57.243 55.803 0.036 0.000 0.850 411 Q CB 0.087 28.782 28.738 -0.072 0.000 0.901 411 Q HN 0.453 nan 8.270 nan 0.000 0.429 412 R N -0.928 119.647 120.500 0.126 0.000 2.119 412 R HA -0.059 4.281 4.340 -0.000 0.000 0.222 412 R C 1.901 178.388 176.300 0.311 0.000 1.088 412 R CA 0.723 56.978 56.100 0.259 0.000 0.984 412 R CB -0.102 30.367 30.300 0.283 0.000 0.884 412 R HN 0.223 nan 8.270 nan 0.000 0.447 413 F N 1.191 121.172 119.950 0.051 0.000 2.661 413 F HA 0.051 4.578 4.527 0.000 0.000 0.298 413 F C 1.518 177.407 175.800 0.149 0.000 1.137 413 F CA 0.661 58.661 58.000 -0.001 0.000 1.454 413 F CB 0.024 38.827 39.000 -0.329 0.000 1.103 413 F HN -0.102 nan 8.300 nan 0.000 0.577 414 L N -0.386 120.976 121.223 0.231 0.000 2.313 414 L HA -0.029 4.311 4.340 -0.000 0.000 0.214 414 L C 1.528 178.422 176.870 0.039 0.000 1.119 414 L CA 0.440 55.383 54.840 0.173 0.000 0.809 414 L CB -0.713 41.433 42.059 0.145 0.000 0.933 414 L HN 0.115 nan 8.230 nan 0.000 0.449 415 S N -0.492 115.228 115.700 0.033 0.000 2.593 415 S HA 0.305 4.775 4.470 -0.000 0.000 0.269 415 S C -0.311 174.208 174.600 -0.135 0.000 1.334 415 S CA -0.473 57.694 58.200 -0.055 0.000 1.015 415 S CB 1.710 64.873 63.200 -0.062 0.000 0.912 415 S HN 0.266 nan 8.310 nan 0.000 0.541 416 Q N 0.466 120.131 119.800 -0.224 0.000 2.353 416 Q HA 0.461 4.801 4.340 -0.000 0.000 0.275 416 Q C -3.087 172.718 176.000 -0.324 0.000 1.029 416 Q CA -2.067 53.599 55.803 -0.228 0.000 0.848 416 Q CB 2.322 30.967 28.738 -0.155 0.000 1.390 416 Q HN 0.472 nan 8.270 nan 0.000 0.401 417 P HA 0.218 nan 4.420 nan 0.000 0.275 417 P C -1.199 176.100 177.300 -0.003 0.000 1.227 417 P CA -0.118 62.897 63.100 -0.142 0.000 0.781 417 P CB 0.359 32.015 31.700 -0.074 0.000 0.906 418 F N 1.184 121.127 119.950 -0.012 0.000 2.408 418 F HA 0.398 4.925 4.527 -0.000 0.000 0.344 418 F C 1.565 177.356 175.800 -0.014 0.000 1.112 418 F CA -1.264 56.732 58.000 -0.008 0.000 1.096 418 F CB 0.599 39.608 39.000 0.016 0.000 1.129 418 F HN 0.373 nan 8.300 nan 0.000 0.486 419 A N 2.888 125.813 122.820 0.175 0.000 1.978 419 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 419 A C 2.009 179.610 177.584 0.029 0.000 1.170 419 A CA 2.182 54.255 52.037 0.060 0.000 0.636 419 A CB -0.930 18.078 19.000 0.013 0.000 0.810 419 A HN 0.672 nan 8.150 nan 0.000 0.448 420 V N -3.571 116.360 119.914 0.029 0.000 3.129 420 V HA 0.287 4.407 4.120 -0.000 0.000 0.259 420 V C 2.078 178.196 176.094 0.040 0.000 1.116 420 V CA 1.298 63.598 62.300 0.001 0.000 1.127 420 V CB -0.826 30.982 31.823 -0.026 0.000 0.742 420 V HN 0.474 nan 8.190 nan 0.000 0.474 421 A N 0.006 122.914 122.820 0.147 0.000 2.278 421 A HA 0.151 4.471 4.320 -0.000 0.000 0.212 421 A C 2.004 179.653 177.584 0.110 0.000 1.213 421 A CA 0.700 52.890 52.037 0.255 0.000 0.840 421 A CB -0.520 18.653 19.000 0.289 0.000 0.866 421 A HN 0.638 nan 8.150 nan 0.000 0.489 422 E N 0.177 120.386 120.200 0.014 0.000 2.153 422 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 422 E C 1.868 178.427 176.600 -0.069 0.000 0.988 422 E CA 1.615 58.004 56.400 -0.018 0.000 0.811 422 E CB -0.157 29.526 29.700 -0.027 0.000 0.746 422 E HN 0.569 nan 8.360 nan 0.000 0.466 423 V N -1.527 118.278 119.914 -0.181 0.000 2.515 423 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 423 V C 1.880 177.846 176.094 -0.214 0.000 1.058 423 V CA 1.291 63.432 62.300 -0.266 0.000 1.064 423 V CB -0.813 30.747 31.823 -0.438 0.000 0.675 423 V HN 0.117 nan 8.190 nan 0.000 0.461 424 F N 2.308 122.243 119.950 -0.025 0.000 2.293 424 F HA 0.059 4.586 4.527 -0.000 0.000 0.297 424 F C 2.629 178.410 175.800 -0.031 0.000 1.089 424 F CA 1.632 59.614 58.000 -0.030 0.000 1.377 424 F CB -0.811 38.165 39.000 -0.039 0.000 1.051 424 F HN 0.430 nan 8.300 nan 0.000 0.511 425 T N -5.363 109.276 114.554 0.141 0.000 2.987 425 T HA 0.480 4.830 4.350 -0.000 0.000 0.248 425 T C 1.850 176.573 174.700 0.039 0.000 0.997 425 T CA 0.669 62.813 62.100 0.073 0.000 1.013 425 T CB 0.483 69.375 68.868 0.041 0.000 1.077 425 T HN 0.338 nan 8.240 nan 0.000 0.483 426 G N 1.783 110.596 108.800 0.023 0.000 2.258 426 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.233 426 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.233 426 G C 0.047 174.948 174.900 0.002 0.000 1.006 426 G CA -0.033 45.072 45.100 0.008 0.000 0.620 426 G HN 0.672 nan 8.290 nan 0.000 0.511 427 I N 4.369 124.941 120.570 0.004 0.000 2.471 427 I HA 0.262 4.432 4.170 -0.000 0.000 0.286 427 I C -1.213 174.899 176.117 -0.007 0.000 1.079 427 I CA -1.849 59.447 61.300 -0.007 0.000 1.398 427 I CB 0.809 38.799 38.000 -0.018 0.000 1.403 427 I HN -0.009 nan 8.210 nan 0.000 0.530 428 P HA 0.046 nan 4.420 nan 0.000 0.268 428 P C -0.024 177.274 177.300 -0.003 0.000 1.208 428 P CA -0.175 62.920 63.100 -0.009 0.000 0.777 428 P CB 0.487 32.179 31.700 -0.014 0.000 0.875 429 G N 1.921 110.726 108.800 0.009 0.000 2.451 429 G HA2 0.475 4.435 3.960 -0.000 0.000 0.303 429 G HA3 0.475 4.435 3.960 -0.000 0.000 0.303 429 G C -0.677 174.236 174.900 0.022 0.000 1.166 429 G CA -0.505 44.614 45.100 0.032 0.000 0.884 429 G HN 0.300 nan 8.290 nan 0.000 0.514 430 K N 0.899 121.323 120.400 0.040 0.000 2.426 430 K HA 0.341 4.661 4.320 -0.000 0.000 0.254 430 K C -1.369 175.255 176.600 0.040 0.000 0.936 430 K CA -0.617 55.685 56.287 0.024 0.000 0.801 430 K CB 2.688 35.192 32.500 0.006 0.000 1.139 430 K HN 0.377 nan 8.250 nan 0.000 0.424 431 L N 3.352 124.581 121.223 0.012 0.000 2.301 431 L HA 0.316 4.656 4.340 -0.000 0.000 0.278 431 L C -0.991 175.873 176.870 -0.010 0.000 1.022 431 L CA -0.866 53.973 54.840 -0.002 0.000 0.854 431 L CB 1.076 43.118 42.059 -0.029 0.000 1.226 431 L HN 0.240 nan 8.230 nan 0.000 0.429 432 V N 5.105 125.018 119.914 -0.001 0.000 2.385 432 V HA 0.374 4.494 4.120 -0.000 0.000 0.269 432 V C 0.697 176.788 176.094 -0.005 0.000 1.043 432 V CA -0.818 61.482 62.300 -0.001 0.000 0.906 432 V CB 0.944 32.768 31.823 0.001 0.000 0.995 432 V HN 0.678 nan 8.190 nan 0.000 0.467 433 R N 2.267 122.763 120.500 -0.007 0.000 2.619 433 R HA -0.034 4.306 4.340 -0.000 0.000 0.268 433 R C 1.212 177.524 176.300 0.020 0.000 0.990 433 R CA 0.044 56.141 56.100 -0.004 0.000 1.092 433 R CB 0.237 30.536 30.300 -0.001 0.000 0.935 433 R HN 0.712 nan 8.270 nan 0.000 0.415 434 L N 4.701 125.942 121.223 0.030 0.000 2.042 434 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 434 L C 1.912 178.827 176.870 0.075 0.000 1.076 434 L CA 1.919 56.796 54.840 0.061 0.000 0.749 434 L CB -0.198 41.910 42.059 0.082 0.000 0.893 434 L HN 0.466 nan 8.230 nan 0.000 0.432 435 K N -0.198 120.241 120.400 0.065 0.000 2.001 435 K HA -0.243 4.077 4.320 -0.000 0.000 0.214 435 K C 2.039 178.681 176.600 0.069 0.000 1.050 435 K CA 1.825 58.153 56.287 0.068 0.000 0.934 435 K CB -0.927 31.604 32.500 0.052 0.000 0.718 435 K HN 0.437 nan 8.250 nan 0.000 0.443 436 D N 0.437 120.874 120.400 0.060 0.000 2.158 436 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 436 D C 1.587 177.947 176.300 0.100 0.000 0.995 436 D CA 1.362 55.405 54.000 0.071 0.000 0.846 436 D CB -0.016 40.816 40.800 0.053 0.000 0.941 436 D HN 0.162 nan 8.370 nan 0.000 0.456 437 T N -0.222 114.385 114.554 0.089 0.000 2.708 437 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 437 T C 2.159 176.949 174.700 0.151 0.000 1.037 437 T CA 1.347 63.518 62.100 0.117 0.000 1.146 437 T CB -0.334 68.566 68.868 0.053 0.000 0.865 437 T HN -0.009 nan 8.240 nan 0.000 0.435 438 V N 1.777 121.733 119.914 0.070 0.000 2.237 438 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 438 V C 2.892 179.047 176.094 0.102 0.000 1.046 438 V CA 1.915 64.222 62.300 0.013 0.000 1.007 438 V CB -1.232 30.591 31.823 -0.001 0.000 0.638 438 V HN 0.538 nan 8.190 nan 0.000 0.445 439 A N -0.778 122.110 122.820 0.114 0.000 2.014 439 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 439 A C 2.438 180.122 177.584 0.167 0.000 1.163 439 A CA 1.736 53.847 52.037 0.123 0.000 0.652 439 A CB -0.548 18.511 19.000 0.098 0.000 0.808 439 A HN 0.489 nan 8.150 nan 0.000 0.449 440 S N -0.602 115.222 115.700 0.206 0.000 2.351 440 S HA -0.145 4.325 4.470 -0.000 0.000 0.220 440 S C 1.602 176.364 174.600 0.270 0.000 1.035 440 S CA 1.648 59.995 58.200 0.245 0.000 1.031 440 S CB -0.545 62.858 63.200 0.338 0.000 0.928 440 S HN 0.572 nan 8.310 nan 0.000 0.433 441 F N 1.776 121.894 119.950 0.281 0.000 2.171 441 F HA -0.044 4.483 4.527 -0.000 0.000 0.300 441 F C 2.371 178.236 175.800 0.109 0.000 1.090 441 F CA 1.228 59.367 58.000 0.233 0.000 1.293 441 F CB -0.216 38.857 39.000 0.122 0.000 1.013 441 F HN 0.101 nan 8.300 nan 0.000 0.486 442 K N 0.420 120.971 120.400 0.251 0.000 2.032 442 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 442 K C 2.220 178.892 176.600 0.120 0.000 1.048 442 K CA 1.357 57.731 56.287 0.145 0.000 0.927 442 K CB -0.343 32.220 32.500 0.105 0.000 0.712 442 K HN 0.224 nan 8.250 nan 0.000 0.441 443 A N 0.480 123.383 122.820 0.138 0.000 2.019 443 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 443 A C 2.145 179.815 177.584 0.143 0.000 1.164 443 A CA 1.300 53.420 52.037 0.139 0.000 0.644 443 A CB -0.314 18.818 19.000 0.220 0.000 0.805 443 A HN 0.189 nan 8.150 nan 0.000 0.449 444 V N -0.165 119.825 119.914 0.127 0.000 2.323 444 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 444 V C 2.475 178.584 176.094 0.025 0.000 1.041 444 V CA 1.692 64.031 62.300 0.064 0.000 1.025 444 V CB -0.688 31.048 31.823 -0.146 0.000 0.656 444 V HN 0.576 nan 8.190 nan 0.000 0.451 445 L N -0.144 121.106 121.223 0.046 0.000 2.187 445 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 445 L C 1.674 178.555 176.870 0.019 0.000 1.100 445 L CA 1.449 56.310 54.840 0.034 0.000 0.765 445 L CB -0.406 41.686 42.059 0.056 0.000 0.904 445 L HN 0.393 nan 8.230 nan 0.000 0.437 446 E N -0.709 119.503 120.200 0.020 0.000 2.336 446 E HA 0.181 4.531 4.350 -0.000 0.000 0.214 446 E C 1.178 177.765 176.600 -0.022 0.000 1.144 446 E CA 0.422 56.824 56.400 0.003 0.000 1.294 446 E CB 0.218 29.923 29.700 0.008 0.000 1.263 446 E HN 0.426 nan 8.360 nan 0.000 0.439 447 G N 1.214 110.000 108.800 -0.024 0.000 2.812 447 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.219 447 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.219 447 G C 0.277 175.131 174.900 -0.076 0.000 1.275 447 G CA -0.150 44.925 45.100 -0.042 0.000 0.769 447 G HN 0.286 nan 8.290 nan 0.000 0.527 448 K N 0.653 120.962 120.400 -0.151 0.000 2.561 448 K HA 0.337 4.657 4.320 -0.000 0.000 0.280 448 K C 0.645 177.078 176.600 -0.279 0.000 0.975 448 K CA 0.776 56.830 56.287 -0.387 0.000 1.024 448 K CB -0.345 31.759 32.500 -0.660 0.000 0.883 448 K HN 0.884 nan 8.250 nan 0.000 0.496 449 Y N -1.277 119.026 120.300 0.006 0.000 4.490 449 Y HA -0.296 4.255 4.550 0.000 0.000 0.233 449 Y C 0.516 176.471 175.900 0.092 0.000 1.101 449 Y CA 0.626 58.756 58.100 0.049 0.000 2.010 449 Y CB -2.359 36.157 38.460 0.092 0.000 1.622 449 Y HN 0.725 nan 8.280 nan 0.000 0.675 450 D N 0.594 121.057 120.400 0.106 0.000 2.224 450 D HA -0.066 4.574 4.640 -0.000 0.000 0.205 450 D C 1.535 177.883 176.300 0.081 0.000 0.965 450 D CA 1.545 55.590 54.000 0.075 0.000 0.852 450 D CB -0.241 40.571 40.800 0.020 0.000 0.947 450 D HN 0.745 nan 8.370 nan 0.000 0.494 451 N N 0.143 118.883 118.700 0.066 0.000 2.461 451 N HA -0.062 4.678 4.740 -0.000 0.000 0.188 451 N C 0.041 175.593 175.510 0.069 0.000 1.134 451 N CA 0.205 53.286 53.050 0.051 0.000 0.878 451 N CB 0.079 38.579 38.487 0.021 0.000 0.972 451 N HN 0.072 nan 8.380 nan 0.000 0.456 452 I N 2.615 123.259 120.570 0.123 0.000 2.325 452 I HA 0.283 4.453 4.170 -0.000 0.000 0.291 452 I C -2.008 174.189 176.117 0.133 0.000 1.019 452 I CA -2.829 58.517 61.300 0.077 0.000 1.302 452 I CB 0.664 38.667 38.000 0.005 0.000 1.401 452 I HN -0.047 nan 8.210 nan 0.000 0.485 453 P HA 0.097 nan 4.420 nan 0.000 0.270 453 P C 0.461 177.867 177.300 0.175 0.000 1.223 453 P CA -0.129 63.030 63.100 0.098 0.000 0.785 453 P CB 0.996 32.728 31.700 0.053 0.000 0.923 454 E N 0.116 120.446 120.200 0.217 0.000 2.204 454 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 454 E C 1.538 178.330 176.600 0.320 0.000 0.989 454 E CA 1.010 57.593 56.400 0.305 0.000 0.824 454 E CB -0.356 29.442 29.700 0.163 0.000 0.756 454 E HN 0.565 nan 8.360 nan 0.000 0.477 455 H N 0.356 119.478 119.070 0.087 0.000 2.495 455 H HA 0.106 4.662 4.556 -0.000 0.000 0.287 455 H C 1.739 177.101 175.328 0.056 0.000 1.033 455 H CA 1.051 57.138 56.048 0.064 0.000 1.307 455 H CB 0.059 29.834 29.762 0.022 0.000 1.401 455 H HN 0.150 nan 8.280 nan 0.000 0.555 456 A N -0.705 122.066 122.820 -0.082 0.000 2.016 456 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 456 A C 1.725 179.129 177.584 -0.301 0.000 1.162 456 A CA 0.646 52.512 52.037 -0.287 0.000 0.662 456 A CB -0.813 17.923 19.000 -0.441 0.000 0.812 456 A HN 0.397 nan 8.150 nan 0.000 0.450 457 F N -2.277 117.664 119.950 -0.016 0.000 2.661 457 F HA 0.109 4.636 4.527 -0.000 0.000 0.298 457 F C 0.810 176.705 175.800 0.159 0.000 1.137 457 F CA 0.106 58.120 58.000 0.023 0.000 1.454 457 F CB -0.123 38.862 39.000 -0.024 0.000 1.103 457 F HN 0.281 nan 8.300 nan 0.000 0.577 458 Y N 1.549 121.927 120.300 0.130 0.000 2.336 458 Y HA 0.309 4.859 4.550 -0.000 0.000 0.335 458 Y C 0.458 176.371 175.900 0.022 0.000 1.046 458 Y CA -1.694 56.459 58.100 0.089 0.000 1.198 458 Y CB 0.279 38.790 38.460 0.084 0.000 1.182 458 Y HN 0.010 nan 8.280 nan 0.000 0.502 459 M N 5.918 125.236 119.600 -0.469 0.000 2.632 459 M HA -0.152 4.328 4.480 -0.000 0.000 0.184 459 M C -1.347 174.850 176.300 -0.172 0.000 0.976 459 M CA 0.883 55.938 55.300 -0.408 0.000 0.612 459 M CB -2.744 29.545 32.600 -0.517 0.000 1.181 459 M HN 0.419 nan 8.290 nan 0.000 0.840 460 V N -3.024 116.838 119.914 -0.087 0.000 3.182 460 V HA 1.055 5.175 4.120 -0.000 0.000 0.308 460 V C 0.817 176.901 176.094 -0.016 0.000 1.240 460 V CA -0.403 61.877 62.300 -0.032 0.000 1.063 460 V CB 1.346 33.172 31.823 0.005 0.000 1.076 460 V HN 0.481 nan 8.190 nan 0.000 0.446 461 G N 0.140 108.939 108.800 -0.001 0.000 2.961 461 G HA2 0.503 4.463 3.960 -0.000 0.000 0.150 461 G HA3 0.503 4.463 3.960 -0.000 0.000 0.150 461 G C 0.570 175.483 174.900 0.022 0.000 1.864 461 G CA 0.109 45.209 45.100 -0.000 0.000 0.992 461 G HN 1.404 nan 8.290 nan 0.000 0.458 462 G N -1.169 107.660 108.800 0.049 0.000 2.508 462 G HA2 0.330 4.290 3.960 -0.000 0.000 0.278 462 G HA3 0.330 4.290 3.960 -0.000 0.000 0.278 462 G C 0.780 175.799 174.900 0.198 0.000 1.389 462 G CA -0.154 45.013 45.100 0.112 0.000 1.050 462 G HN 0.394 nan 8.290 nan 0.000 0.522 463 I N -0.405 120.280 120.570 0.191 0.000 2.850 463 I HA -0.066 4.104 4.170 -0.000 0.000 0.266 463 I C 2.385 178.439 176.117 -0.105 0.000 1.257 463 I CA 1.132 62.411 61.300 -0.036 0.000 1.465 463 I CB -0.261 37.663 38.000 -0.126 0.000 1.091 463 I HN 0.790 nan 8.210 nan 0.000 0.467 464 E N 0.290 120.477 120.200 -0.023 0.000 2.051 464 E HA -0.243 4.107 4.350 -0.000 0.000 0.192 464 E C 1.277 177.842 176.600 -0.058 0.000 0.991 464 E CA 1.720 58.100 56.400 -0.032 0.000 0.799 464 E CB -0.044 29.653 29.700 -0.005 0.000 0.748 464 E HN 0.483 nan 8.360 nan 0.000 0.449 465 D N -0.173 120.202 120.400 -0.042 0.000 2.355 465 D HA -0.041 4.599 4.640 -0.000 0.000 0.218 465 D C 1.835 178.072 176.300 -0.105 0.000 1.004 465 D CA 0.283 54.250 54.000 -0.056 0.000 0.880 465 D CB 0.578 41.360 40.800 -0.029 0.000 0.911 465 D HN 0.139 nan 8.370 nan 0.000 0.528 466 V N 0.507 120.324 119.914 -0.162 0.000 2.488 466 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 466 V C 2.665 178.573 176.094 -0.310 0.000 1.046 466 V CA 0.704 62.815 62.300 -0.314 0.000 1.053 466 V CB -0.328 31.172 31.823 -0.538 0.000 0.679 466 V HN 0.038 nan 8.190 nan 0.000 0.458 467 V N 0.782 120.547 119.914 -0.249 0.000 2.282 467 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 467 V C 2.737 178.761 176.094 -0.116 0.000 1.057 467 V CA 2.400 64.603 62.300 -0.163 0.000 1.032 467 V CB -1.093 30.674 31.823 -0.095 0.000 0.645 467 V HN 0.570 nan 8.190 nan 0.000 0.447 468 A N -1.017 121.743 122.820 -0.100 0.000 2.015 468 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 468 A C 2.309 179.843 177.584 -0.084 0.000 1.163 468 A CA 1.877 53.870 52.037 -0.075 0.000 0.646 468 A CB -0.371 18.594 19.000 -0.058 0.000 0.806 468 A HN 0.526 nan 8.150 nan 0.000 0.448 469 K N -0.573 119.756 120.400 -0.117 0.000 2.243 469 K HA 0.161 4.481 4.320 -0.000 0.000 0.201 469 K C 1.867 178.392 176.600 -0.124 0.000 1.051 469 K CA 0.767 56.981 56.287 -0.121 0.000 0.970 469 K CB -0.148 32.263 32.500 -0.148 0.000 0.755 469 K HN 0.360 nan 8.250 nan 0.000 0.465 470 A N 0.740 123.467 122.820 -0.154 0.000 2.167 470 A HA -0.065 4.255 4.320 -0.000 0.000 0.214 470 A C 1.220 178.759 177.584 -0.075 0.000 1.151 470 A CA 0.988 52.945 52.037 -0.133 0.000 0.735 470 A CB -0.126 18.765 19.000 -0.181 0.000 0.802 470 A HN 0.362 nan 8.150 nan 0.000 0.467 471 E N -0.569 119.592 120.200 -0.065 0.000 2.476 471 E HA 0.075 4.425 4.350 -0.000 0.000 0.199 471 E C 0.495 177.077 176.600 -0.031 0.000 1.021 471 E CA 0.079 56.455 56.400 -0.040 0.000 0.907 471 E CB 0.283 29.962 29.700 -0.036 0.000 0.974 471 E HN 0.382 nan 8.360 nan 0.000 0.489 472 K N 0.482 120.860 120.400 -0.036 0.000 2.576 472 K HA 0.267 4.587 4.320 -0.000 0.000 0.209 472 K C 0.426 177.019 176.600 -0.012 0.000 1.049 472 K CA 0.099 56.372 56.287 -0.024 0.000 1.140 472 K CB 0.904 33.388 32.500 -0.028 0.000 0.871 472 K HN 0.070 nan 8.250 nan 0.000 0.479 473 L N -0.793 120.425 121.223 -0.009 0.000 3.944 473 L HA 0.346 4.686 4.340 -0.000 0.000 0.198 473 L C 0.597 177.471 176.870 0.007 0.000 1.162 473 L CA -0.171 54.675 54.840 0.010 0.000 1.054 473 L CB -0.346 41.732 42.059 0.032 0.000 1.673 473 L HN 0.011 nan 8.230 nan 0.000 0.737 474 A N 0.000 122.823 122.820 0.005 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.039 52.037 0.003 0.000 0.836 474 A CB 0.000 19.003 19.000 0.005 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486