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 3oee_1_E DATA FIRST_RESID 8 DATA SEQUENCE PITGKVTAVI GAIVDVHFEQ SELPAILNAL EIKTPQGKLV LEVAQHLGEN DATA SEQUENCE TVRTIAMDGT EGLVRGEKVL DTGGPISVPV GRETLGRIIN VIGEPIDERG DATA SEQUENCE PIKSKLRKPI HADPPSFAEQ STSAEILETG IKVVDLLAPY ARGGKIGLFG DATA SEQUENCE GAGVGKTVFI QELINNIAKA HGGFSVFTGV GERTREGNDL YREMKETGVI DATA SEQUENCE NLEGESKVAL VFGQMNEPPG ARARVALTGL TIAEYFRDEE GQDVLLFIDN DATA SEQUENCE IFRFTQAGSE VSALLGRIPS AVGYQPTLAT DMGLLQERIT TTKKGSVTSV DATA SEQUENCE QAVYVPADDL TDPAPATTFA HLDATTVLSR GISELGIYPA VDPLDSKSRL DATA SEQUENCE LDAAVVGQEH YDVASKVQET LQTYKSLQDI IAILGMDELS EQDKLTVERA DATA SEQUENCE RKIQRFLSQP FAVAEVFTGI PGKLVRLKDT VASFKAVLEG KYDNIPEHAF DATA SEQUENCE YMVGGIEDVV AKAEKLAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.328 177.300 0.047 0.000 1.155 8 P CA 0.000 63.118 63.100 0.030 0.000 0.800 8 P CB 0.000 31.715 31.700 0.025 0.000 0.726 9 I N 1.276 121.884 120.570 0.063 0.000 2.352 9 I HA 0.329 4.499 4.170 -0.000 0.000 0.290 9 I C 0.406 176.639 176.117 0.193 0.000 1.036 9 I CA 0.446 61.810 61.300 0.107 0.000 1.336 9 I CB 1.285 39.328 38.000 0.072 0.000 1.407 9 I HN 0.243 nan 8.210 nan 0.000 0.497 10 T N 4.498 119.158 114.554 0.177 0.000 2.888 10 T HA 0.723 5.073 4.350 -0.000 0.000 0.284 10 T C 0.171 174.828 174.700 -0.071 0.000 1.017 10 T CA -0.528 61.628 62.100 0.093 0.000 1.022 10 T CB 1.765 70.645 68.868 0.020 0.000 1.013 10 T HN 0.797 nan 8.240 nan 0.000 0.465 11 G N 1.393 109.935 108.800 -0.429 0.000 3.105 11 G HA2 0.758 4.718 3.960 -0.000 0.000 0.277 11 G HA3 0.758 4.718 3.960 -0.000 0.000 0.277 11 G C -1.644 172.991 174.900 -0.443 0.000 1.375 11 G CA -0.726 43.824 45.100 -0.917 0.000 0.962 11 G HN 0.562 nan 8.290 nan 0.000 0.541 12 K N -0.221 119.955 120.400 -0.373 0.000 2.482 12 K HA 0.471 4.791 4.320 -0.000 0.000 0.251 12 K C -0.857 175.665 176.600 -0.129 0.000 0.936 12 K CA -0.651 55.533 56.287 -0.171 0.000 0.791 12 K CB 2.948 35.392 32.500 -0.092 0.000 1.213 12 K HN 0.262 nan 8.250 nan 0.000 0.428 13 V N 2.933 122.795 119.914 -0.088 0.000 2.540 13 V HA -0.055 4.065 4.120 -0.000 0.000 0.297 13 V C 1.294 177.365 176.094 -0.038 0.000 1.024 13 V CA 0.986 63.256 62.300 -0.051 0.000 1.105 13 V CB 0.725 32.528 31.823 -0.034 0.000 0.938 13 V HN 1.043 nan 8.190 nan 0.000 0.482 14 T N 1.108 115.650 114.554 -0.020 0.000 3.044 14 T HA 0.642 4.992 4.350 -0.000 0.000 0.260 14 T C 0.191 174.884 174.700 -0.012 0.000 1.019 14 T CA 0.404 62.492 62.100 -0.019 0.000 0.921 14 T CB 0.516 69.377 68.868 -0.012 0.000 1.053 14 T HN 1.099 nan 8.240 nan 0.000 0.533 15 A N 0.369 123.186 122.820 -0.005 0.000 2.582 15 A HA 0.654 4.974 4.320 -0.000 0.000 0.297 15 A C -1.672 175.913 177.584 0.001 0.000 1.059 15 A CA -0.690 51.346 52.037 -0.001 0.000 0.705 15 A CB 1.570 20.573 19.000 0.005 0.000 1.279 15 A HN 0.333 nan 8.150 nan 0.000 0.404 16 V N 2.874 122.788 119.914 -0.001 0.000 2.462 16 V HA 0.454 4.574 4.120 -0.000 0.000 0.288 16 V C -0.853 175.241 176.094 0.000 0.000 1.020 16 V CA 0.002 62.302 62.300 0.001 0.000 0.857 16 V CB 1.218 33.040 31.823 -0.002 0.000 1.013 16 V HN 0.699 nan 8.190 nan 0.000 0.431 17 I N 4.686 125.258 120.570 0.002 0.000 2.495 17 I HA 0.609 4.779 4.170 -0.000 0.000 0.277 17 I C 1.159 177.276 176.117 0.000 0.000 1.045 17 I CA 0.014 61.314 61.300 0.000 0.000 1.135 17 I CB 1.272 39.273 38.000 0.001 0.000 1.241 17 I HN 0.800 nan 8.210 nan 0.000 0.469 18 G N 4.882 113.681 108.800 -0.001 0.000 2.629 18 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.313 18 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.313 18 G C 0.851 175.750 174.900 -0.000 0.000 1.217 18 G CA 0.578 45.677 45.100 -0.002 0.000 0.994 18 G HN 0.804 nan 8.290 nan 0.000 0.549 19 A N -0.429 122.391 122.820 -0.001 0.000 2.307 19 A HA 0.578 4.898 4.320 -0.000 0.000 0.218 19 A C 0.861 178.449 177.584 0.005 0.000 1.228 19 A CA 0.490 52.528 52.037 0.001 0.000 0.857 19 A CB -0.034 18.965 19.000 -0.002 0.000 0.897 19 A HN 0.563 nan 8.150 nan 0.000 0.495 20 I N 1.260 121.833 120.570 0.006 0.000 2.315 20 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 20 I C -0.728 175.397 176.117 0.014 0.000 1.006 20 I CA -0.380 60.926 61.300 0.011 0.000 1.265 20 I CB 1.157 39.162 38.000 0.009 0.000 1.387 20 I HN -0.149 nan 8.210 nan 0.000 0.475 21 V N 5.774 125.700 119.914 0.021 0.000 2.483 21 V HA 0.329 4.449 4.120 -0.000 0.000 0.297 21 V C -0.540 175.574 176.094 0.033 0.000 1.027 21 V CA -0.817 61.496 62.300 0.022 0.000 0.855 21 V CB 2.203 34.038 31.823 0.021 0.000 0.995 21 V HN 0.567 nan 8.190 nan 0.000 0.424 22 D N 3.310 123.728 120.400 0.030 0.000 2.210 22 D HA 0.610 5.250 4.640 -0.000 0.000 0.249 22 D C -0.459 175.864 176.300 0.038 0.000 1.078 22 D CA 0.000 54.026 54.000 0.044 0.000 0.875 22 D CB 2.180 43.004 40.800 0.039 0.000 1.175 22 D HN 0.262 nan 8.370 nan 0.000 0.440 23 V N 2.311 122.263 119.914 0.062 0.000 2.709 23 V HA 0.194 4.314 4.120 -0.000 0.000 0.308 23 V C -0.290 175.825 176.094 0.035 0.000 1.062 23 V CA -0.899 61.405 62.300 0.007 0.000 0.901 23 V CB 2.155 33.970 31.823 -0.014 0.000 1.003 23 V HN 0.578 nan 8.190 nan 0.000 0.425 24 H N 3.765 122.738 119.070 -0.161 0.000 2.463 24 H HA 0.653 5.209 4.556 -0.000 0.000 0.332 24 H C -1.774 173.379 175.328 -0.291 0.000 1.127 24 H CA -0.212 55.770 56.048 -0.110 0.000 1.238 24 H CB 1.514 31.227 29.762 -0.081 0.000 1.478 24 H HN 0.488 nan 8.280 nan 0.000 0.499 25 F N 1.001 120.529 119.950 -0.703 0.000 2.724 25 F HA 0.247 4.774 4.527 -0.000 0.000 0.340 25 F C 0.281 175.776 175.800 -0.508 0.000 1.127 25 F CA -0.924 56.819 58.000 -0.428 0.000 1.006 25 F CB 1.168 40.012 39.000 -0.260 0.000 1.420 25 F HN 0.446 nan 8.300 nan 0.000 0.510 26 E N 0.345 120.559 120.200 0.023 0.000 2.283 26 E HA 0.111 4.460 4.350 -0.000 0.000 0.267 26 E C -0.728 175.860 176.600 -0.019 0.000 1.045 26 E CA -0.697 55.699 56.400 -0.006 0.000 0.884 26 E CB 0.893 30.616 29.700 0.039 0.000 1.106 26 E HN 0.459 nan 8.360 nan 0.000 0.408 27 Q N 0.950 120.741 119.800 -0.015 0.000 2.618 27 Q HA -0.148 4.191 4.340 -0.000 0.000 0.344 27 Q C -0.170 175.809 176.000 -0.036 0.000 1.073 27 Q CA 1.038 56.828 55.803 -0.022 0.000 1.105 27 Q CB -0.105 28.630 28.738 -0.004 0.000 1.028 27 Q HN 0.725 nan 8.270 nan 0.000 0.397 28 S N 1.542 117.208 115.700 -0.057 0.000 3.295 28 S HA -0.285 4.185 4.470 -0.000 0.000 0.353 28 S C 0.463 175.013 174.600 -0.082 0.000 1.155 28 S CA 1.554 59.715 58.200 -0.066 0.000 0.996 28 S CB -1.052 62.127 63.200 -0.036 0.000 0.932 28 S HN 0.881 nan 8.310 nan 0.000 0.556 29 E N -0.082 120.063 120.200 -0.092 0.000 2.465 29 E HA 0.298 4.648 4.350 -0.000 0.000 0.191 29 E C 0.017 176.451 176.600 -0.277 0.000 1.053 29 E CA -0.277 56.060 56.400 -0.105 0.000 0.869 29 E CB 0.071 29.764 29.700 -0.012 0.000 0.977 29 E HN 0.677 nan 8.360 nan 0.000 0.483 30 L N 3.347 124.381 121.223 -0.316 0.000 2.462 30 L HA 0.115 4.455 4.340 -0.000 0.000 0.272 30 L C -1.850 174.751 176.870 -0.448 0.000 1.166 30 L CA -1.515 53.009 54.840 -0.527 0.000 0.880 30 L CB -0.052 41.720 42.059 -0.479 0.000 1.142 30 L HN -0.025 nan 8.230 nan 0.000 0.473 31 P HA 0.045 nan 4.420 nan 0.000 0.265 31 P C -0.448 176.845 177.300 -0.011 0.000 1.193 31 P CA -0.332 62.586 63.100 -0.304 0.000 0.765 31 P CB 0.741 32.229 31.700 -0.354 0.000 0.823 32 A N 4.626 127.442 122.820 -0.006 0.000 2.520 32 A HA 0.128 4.448 4.320 -0.000 0.000 0.235 32 A C 0.716 178.285 177.584 -0.026 0.000 1.065 32 A CA -0.334 51.704 52.037 0.001 0.000 0.764 32 A CB -0.475 18.496 19.000 -0.048 0.000 1.002 32 A HN 0.556 nan 8.150 nan 0.000 0.502 33 I N 1.610 122.096 120.570 -0.140 0.000 2.683 33 I HA -0.010 4.160 4.170 -0.000 0.000 0.286 33 I C 0.554 176.584 176.117 -0.145 0.000 1.175 33 I CA 0.707 61.917 61.300 -0.149 0.000 1.429 33 I CB 0.142 37.996 38.000 -0.243 0.000 1.371 33 I HN 0.726 nan 8.210 nan 0.000 0.569 34 L N 2.599 123.738 121.223 -0.139 0.000 4.692 34 L HA -0.224 4.116 4.340 -0.000 0.000 0.400 34 L C -0.054 176.761 176.870 -0.093 0.000 0.912 34 L CA -0.076 54.641 54.840 -0.205 0.000 1.662 34 L CB -1.888 39.904 42.059 -0.444 0.000 1.814 34 L HN 0.674 nan 8.230 nan 0.000 0.580 35 N N 1.246 119.919 118.700 -0.046 0.000 2.525 35 N HA 0.534 5.273 4.740 -0.000 0.000 0.271 35 N C 0.325 175.846 175.510 0.017 0.000 1.194 35 N CA 0.776 53.818 53.050 -0.013 0.000 0.964 35 N CB 1.052 39.523 38.487 -0.027 0.000 1.126 35 N HN 0.297 nan 8.380 nan 0.000 0.452 36 A N 2.593 125.432 122.820 0.031 0.000 2.320 36 A HA 0.458 4.778 4.320 -0.000 0.000 0.287 36 A C -0.149 177.463 177.584 0.047 0.000 1.181 36 A CA -0.423 51.640 52.037 0.043 0.000 0.831 36 A CB -0.138 18.888 19.000 0.044 0.000 1.102 36 A HN 0.629 nan 8.150 nan 0.000 0.513 37 L N 1.780 123.041 121.223 0.062 0.000 2.358 37 L HA 0.605 4.945 4.340 -0.000 0.000 0.268 37 L C 0.191 177.099 176.870 0.064 0.000 1.032 37 L CA -0.491 54.400 54.840 0.085 0.000 0.805 37 L CB 1.478 43.613 42.059 0.127 0.000 1.253 37 L HN 0.717 nan 8.230 nan 0.000 0.452 38 E N 1.794 122.032 120.200 0.063 0.000 2.275 38 E HA 0.544 4.894 4.350 -0.000 0.000 0.270 38 E C -1.411 175.209 176.600 0.033 0.000 0.882 38 E CA -0.472 55.953 56.400 0.041 0.000 0.758 38 E CB 2.973 32.693 29.700 0.033 0.000 1.195 38 E HN 0.376 nan 8.360 nan 0.000 0.419 39 I N 2.366 122.949 120.570 0.022 0.000 2.441 39 I HA 0.298 4.468 4.170 -0.000 0.000 0.295 39 I C -0.143 175.980 176.117 0.009 0.000 0.994 39 I CA -0.871 60.436 61.300 0.011 0.000 1.144 39 I CB 1.531 39.535 38.000 0.006 0.000 1.314 39 I HN 0.179 nan 8.210 nan 0.000 0.445 40 K N 4.744 125.147 120.400 0.005 0.000 2.276 40 K HA 0.355 4.675 4.320 -0.000 0.000 0.285 40 K C -0.121 176.480 176.600 0.002 0.000 1.062 40 K CA -0.315 55.974 56.287 0.004 0.000 0.918 40 K CB 1.043 33.545 32.500 0.003 0.000 1.055 40 K HN 0.705 nan 8.250 nan 0.000 0.477 41 T N -0.880 113.676 114.554 0.003 0.000 2.942 41 T HA 0.366 4.716 4.350 -0.000 0.000 0.289 41 T C -1.821 172.880 174.700 0.001 0.000 1.044 41 T CA -1.868 60.233 62.100 0.001 0.000 1.023 41 T CB 1.611 70.481 68.868 0.002 0.000 1.123 41 T HN 0.250 nan 8.240 nan 0.000 0.512 42 P HA -0.071 nan 4.420 nan 0.000 0.229 42 P C 1.508 178.809 177.300 0.001 0.000 1.160 42 P CA 0.652 63.753 63.100 0.000 0.000 0.777 42 P CB 0.110 31.810 31.700 -0.000 0.000 0.814 43 Q N 0.350 120.151 119.800 0.002 0.000 2.020 43 Q HA -0.039 4.301 4.340 -0.000 0.000 0.202 43 Q C 1.362 177.364 176.000 0.003 0.000 0.982 43 Q CA 2.487 58.292 55.803 0.002 0.000 0.838 43 Q CB -0.550 28.189 28.738 0.003 0.000 0.899 43 Q HN 0.227 nan 8.270 nan 0.000 0.423 44 G N 0.643 109.445 108.800 0.003 0.000 4.399 44 G HA2 0.056 4.016 3.960 -0.000 0.000 0.159 44 G HA3 0.056 4.016 3.960 -0.000 0.000 0.159 44 G C -0.848 174.054 174.900 0.005 0.000 1.458 44 G CA 0.008 45.110 45.100 0.004 0.000 0.942 44 G HN 0.467 nan 8.290 nan 0.000 0.306 45 K N -0.740 119.664 120.400 0.006 0.000 2.610 45 K HA 0.641 4.960 4.320 -0.000 0.000 0.267 45 K C -2.127 174.479 176.600 0.010 0.000 0.943 45 K CA -0.884 55.408 56.287 0.008 0.000 0.862 45 K CB 1.835 34.341 32.500 0.009 0.000 1.376 45 K HN 0.761 nan 8.250 nan 0.000 0.412 46 L N 2.481 123.712 121.223 0.012 0.000 2.313 46 L HA 0.576 4.916 4.340 -0.000 0.000 0.283 46 L C -1.425 175.457 176.870 0.020 0.000 1.013 46 L CA -0.448 54.401 54.840 0.014 0.000 0.816 46 L CB 1.959 44.025 42.059 0.012 0.000 1.236 46 L HN 0.588 nan 8.230 nan 0.000 0.419 47 V N 6.227 126.155 119.914 0.023 0.000 2.472 47 V HA 0.506 4.626 4.120 -0.000 0.000 0.290 47 V C 0.142 176.256 176.094 0.034 0.000 1.037 47 V CA -0.527 61.791 62.300 0.029 0.000 0.908 47 V CB 1.438 33.278 31.823 0.028 0.000 0.985 47 V HN 0.674 nan 8.190 nan 0.000 0.454 48 L N 3.392 124.641 121.223 0.042 0.000 2.341 48 L HA 0.688 5.028 4.340 -0.000 0.000 0.267 48 L C -0.268 176.633 176.870 0.052 0.000 1.009 48 L CA -0.559 54.309 54.840 0.046 0.000 0.819 48 L CB 2.201 44.292 42.059 0.053 0.000 1.323 48 L HN 0.618 nan 8.230 nan 0.000 0.425 49 E N 1.141 121.371 120.200 0.050 0.000 2.176 49 E HA 0.365 4.715 4.350 -0.000 0.000 0.267 49 E C -1.285 175.338 176.600 0.039 0.000 0.893 49 E CA -0.767 55.663 56.400 0.049 0.000 0.761 49 E CB 2.279 32.018 29.700 0.065 0.000 1.133 49 E HN 0.339 nan 8.360 nan 0.000 0.409 50 V N 4.047 123.981 119.914 0.033 0.000 2.540 50 V HA 0.035 4.155 4.120 -0.000 0.000 0.297 50 V C 0.941 177.043 176.094 0.012 0.000 1.024 50 V CA 1.065 63.390 62.300 0.042 0.000 1.105 50 V CB 0.727 32.579 31.823 0.047 0.000 0.938 50 V HN 0.878 nan 8.190 nan 0.000 0.482 51 A N 4.410 127.247 122.820 0.028 0.000 2.013 51 A HA 0.322 4.641 4.320 -0.000 0.000 0.204 51 A C 0.690 178.273 177.584 -0.002 0.000 1.262 51 A CA 0.260 52.298 52.037 0.002 0.000 0.800 51 A CB 0.356 19.362 19.000 0.010 0.000 0.909 51 A HN 0.784 nan 8.150 nan 0.000 0.472 52 Q N -1.125 118.703 119.800 0.047 0.000 2.435 52 Q HA 0.373 4.713 4.340 -0.000 0.000 0.282 52 Q C -1.695 174.422 176.000 0.195 0.000 1.020 52 Q CA -0.579 55.257 55.803 0.055 0.000 0.820 52 Q CB 1.646 30.409 28.738 0.041 0.000 1.436 52 Q HN 0.592 nan 8.270 nan 0.000 0.395 53 H N 1.834 120.900 119.070 -0.008 0.000 2.741 53 H HA 0.228 4.784 4.556 -0.000 0.000 0.282 53 H C 0.550 175.883 175.328 0.008 0.000 1.122 53 H CA -0.280 55.767 56.048 -0.002 0.000 1.293 53 H CB 0.862 30.614 29.762 -0.017 0.000 1.415 53 H HN 0.427 nan 8.280 nan 0.000 0.472 54 L N 2.835 124.127 121.223 0.116 0.000 2.478 54 L HA 0.108 4.448 4.340 -0.000 0.000 0.223 54 L C 1.204 178.109 176.870 0.060 0.000 1.140 54 L CA 0.515 55.399 54.840 0.074 0.000 0.842 54 L CB -0.131 41.965 42.059 0.061 0.000 0.953 54 L HN 0.868 nan 8.230 nan 0.000 0.452 55 G N 0.146 108.980 108.800 0.057 0.000 2.663 55 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.686 55 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.686 55 G C -0.126 174.799 174.900 0.041 0.000 1.288 55 G CA -0.513 44.612 45.100 0.041 0.000 0.836 55 G HN 0.321 nan 8.290 nan 0.000 0.584 56 E N 0.253 120.477 120.200 0.041 0.000 2.269 56 E HA -0.290 4.060 4.350 -0.000 0.000 0.223 56 E C 0.713 177.373 176.600 0.099 0.000 1.244 56 E CA 0.698 57.139 56.400 0.069 0.000 0.713 56 E CB -1.391 28.355 29.700 0.077 0.000 1.178 56 E HN 1.291 nan 8.360 nan 0.000 0.370 57 N N -1.764 116.942 118.700 0.010 0.000 2.681 57 N HA -0.157 4.583 4.740 -0.000 0.000 0.250 57 N C -0.567 174.904 175.510 -0.065 0.000 1.133 57 N CA 1.968 54.964 53.050 -0.091 0.000 0.732 57 N CB -1.300 37.064 38.487 -0.204 0.000 1.107 57 N HN 0.364 nan 8.380 nan 0.000 0.559 58 T N 0.135 114.713 114.554 0.040 0.000 2.797 58 T HA 0.594 4.944 4.350 -0.000 0.000 0.279 58 T C 0.517 175.246 174.700 0.048 0.000 0.991 58 T CA -0.710 61.442 62.100 0.087 0.000 0.979 58 T CB 2.513 71.453 68.868 0.119 0.000 0.943 58 T HN 0.152 nan 8.240 nan 0.000 0.444 59 V N 1.819 121.785 119.914 0.087 0.000 2.667 59 V HA 0.762 4.882 4.120 -0.000 0.000 0.308 59 V C -0.239 175.920 176.094 0.108 0.000 1.048 59 V CA -1.362 60.998 62.300 0.099 0.000 0.928 59 V CB 1.651 33.539 31.823 0.108 0.000 1.004 59 V HN 0.844 nan 8.190 nan 0.000 0.444 60 R N 2.510 123.069 120.500 0.099 0.000 2.312 60 R HA 0.722 5.062 4.340 -0.000 0.000 0.311 60 R C -0.029 176.312 176.300 0.069 0.000 1.004 60 R CA 0.350 56.493 56.100 0.073 0.000 0.902 60 R CB 1.447 31.780 30.300 0.054 0.000 1.073 60 R HN 1.169 nan 8.270 nan 0.000 0.457 61 T N 1.834 116.423 114.554 0.059 0.000 2.930 61 T HA 0.572 4.922 4.350 -0.000 0.000 0.290 61 T C 0.106 174.827 174.700 0.035 0.000 1.052 61 T CA -1.029 61.102 62.100 0.052 0.000 1.017 61 T CB 1.049 69.956 68.868 0.065 0.000 1.137 61 T HN 0.557 nan 8.240 nan 0.000 0.511 62 I N 0.005 120.594 120.570 0.031 0.000 2.404 62 I HA 0.789 4.959 4.170 -0.000 0.000 0.293 62 I C 0.225 176.358 176.117 0.025 0.000 0.992 62 I CA -1.542 59.772 61.300 0.023 0.000 1.149 62 I CB 1.403 39.413 38.000 0.017 0.000 1.315 62 I HN 0.860 nan 8.210 nan 0.000 0.446 63 A N 6.794 129.625 122.820 0.019 0.000 2.354 63 A HA 0.518 4.838 4.320 -0.000 0.000 0.269 63 A C 0.811 178.406 177.584 0.018 0.000 1.109 63 A CA -0.566 51.483 52.037 0.019 0.000 0.800 63 A CB 0.682 19.690 19.000 0.014 0.000 1.045 63 A HN 0.884 nan 8.150 nan 0.000 0.489 64 M N 0.593 120.205 119.600 0.021 0.000 2.502 64 M HA 0.151 4.631 4.480 -0.000 0.000 0.243 64 M C 0.009 176.319 176.300 0.016 0.000 1.130 64 M CA 0.738 56.050 55.300 0.020 0.000 1.055 64 M CB -0.749 31.866 32.600 0.025 0.000 1.457 64 M HN 0.759 nan 8.290 nan 0.000 0.488 65 D N -0.887 119.521 120.400 0.014 0.000 2.744 65 D HA 0.463 5.103 4.640 -0.000 0.000 0.304 65 D C -0.528 175.777 176.300 0.008 0.000 1.179 65 D CA -0.203 53.804 54.000 0.011 0.000 1.024 65 D CB 1.651 42.458 40.800 0.011 0.000 1.453 65 D HN 0.107 nan 8.370 nan 0.000 0.529 66 G N -0.996 107.807 108.800 0.006 0.000 2.491 66 G HA2 0.320 4.280 3.960 -0.000 0.000 0.238 66 G HA3 0.320 4.280 3.960 -0.000 0.000 0.238 66 G C 0.764 175.666 174.900 0.004 0.000 1.277 66 G CA 0.612 45.714 45.100 0.004 0.000 0.851 66 G HN 0.401 nan 8.290 nan 0.000 0.573 67 T N -1.549 113.007 114.554 0.003 0.000 3.044 67 T HA 0.214 4.564 4.350 -0.000 0.000 0.260 67 T C 0.681 175.381 174.700 0.000 0.000 1.019 67 T CA -0.043 62.059 62.100 0.002 0.000 0.921 67 T CB 0.031 68.900 68.868 0.003 0.000 1.053 67 T HN 0.618 nan 8.240 nan 0.000 0.533 68 E N 0.976 121.176 120.200 -0.000 0.000 2.568 68 E HA 0.296 4.646 4.350 -0.000 0.000 0.262 68 E C 1.398 177.997 176.600 -0.002 0.000 0.961 68 E CA 1.304 57.703 56.400 -0.001 0.000 0.945 68 E CB -0.452 29.247 29.700 -0.001 0.000 0.924 68 E HN 0.505 nan 8.360 nan 0.000 0.467 69 G N 3.617 112.415 108.800 -0.003 0.000 2.258 69 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.233 69 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.233 69 G C 0.301 175.198 174.900 -0.005 0.000 1.006 69 G CA 0.068 45.166 45.100 -0.004 0.000 0.620 69 G HN 0.502 nan 8.290 nan 0.000 0.511 70 L N 1.039 122.259 121.223 -0.005 0.000 2.483 70 L HA 0.446 4.786 4.340 -0.000 0.000 0.276 70 L C 0.530 177.395 176.870 -0.009 0.000 1.213 70 L CA 0.047 54.883 54.840 -0.007 0.000 0.843 70 L CB 1.022 43.078 42.059 -0.005 0.000 1.107 70 L HN 0.061 nan 8.230 nan 0.000 0.487 71 V N 2.633 122.539 119.914 -0.013 0.000 2.709 71 V HA 0.369 4.488 4.120 -0.000 0.000 0.308 71 V C -0.050 176.032 176.094 -0.020 0.000 1.062 71 V CA -0.972 61.319 62.300 -0.015 0.000 0.901 71 V CB 1.890 33.703 31.823 -0.015 0.000 1.003 71 V HN 0.663 nan 8.190 nan 0.000 0.425 72 R N 2.165 122.652 120.500 -0.022 0.000 2.522 72 R HA 0.431 4.771 4.340 -0.000 0.000 0.284 72 R C 1.312 177.592 176.300 -0.033 0.000 1.032 72 R CA 1.140 57.223 56.100 -0.028 0.000 1.049 72 R CB 0.211 30.495 30.300 -0.028 0.000 0.956 72 R HN 1.244 nan 8.270 nan 0.000 0.422 73 G N 1.865 110.640 108.800 -0.041 0.000 2.232 73 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.226 73 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.226 73 G C 0.112 174.985 174.900 -0.045 0.000 0.996 73 G CA -0.122 44.950 45.100 -0.045 0.000 0.626 73 G HN 0.610 nan 8.290 nan 0.000 0.509 74 E N 1.488 121.664 120.200 -0.040 0.000 2.452 74 E HA 0.316 4.666 4.350 -0.000 0.000 0.261 74 E C 0.655 177.225 176.600 -0.051 0.000 0.987 74 E CA -0.119 56.259 56.400 -0.036 0.000 0.926 74 E CB 0.288 29.971 29.700 -0.028 0.000 0.934 74 E HN 0.334 nan 8.360 nan 0.000 0.452 75 K N 1.824 122.197 120.400 -0.045 0.000 2.485 75 K HA 0.074 4.394 4.320 -0.000 0.000 0.277 75 K C -0.978 175.590 176.600 -0.053 0.000 0.990 75 K CA 0.052 56.306 56.287 -0.055 0.000 0.994 75 K CB 0.732 33.212 32.500 -0.033 0.000 0.906 75 K HN 0.223 nan 8.250 nan 0.000 0.488 76 V N 4.772 124.639 119.914 -0.079 0.000 2.525 76 V HA 0.205 4.325 4.120 -0.000 0.000 0.299 76 V C -0.858 175.246 176.094 0.017 0.000 1.034 76 V CA -0.960 61.316 62.300 -0.041 0.000 0.863 76 V CB 1.493 33.269 31.823 -0.079 0.000 0.999 76 V HN 0.552 nan 8.190 nan 0.000 0.423 77 L N 3.780 125.040 121.223 0.061 0.000 2.292 77 L HA 0.627 4.967 4.340 -0.000 0.000 0.284 77 L C -0.076 176.878 176.870 0.139 0.000 1.065 77 L CA 0.282 55.179 54.840 0.095 0.000 0.806 77 L CB 1.304 43.396 42.059 0.056 0.000 1.175 77 L HN 0.698 nan 8.230 nan 0.000 0.431 78 D N 1.879 122.380 120.400 0.169 0.000 2.312 78 D HA 0.122 4.762 4.640 -0.000 0.000 0.252 78 D C 1.052 177.381 176.300 0.049 0.000 1.150 78 D CA 0.372 54.433 54.000 0.103 0.000 0.870 78 D CB 1.581 42.401 40.800 0.034 0.000 1.153 78 D HN 0.737 nan 8.370 nan 0.000 0.457 79 T N 0.784 115.358 114.554 0.033 0.000 3.067 79 T HA 0.180 4.530 4.350 -0.000 0.000 0.261 79 T C 1.520 176.223 174.700 0.005 0.000 1.110 79 T CA 0.566 62.678 62.100 0.020 0.000 1.113 79 T CB -0.162 68.718 68.868 0.020 0.000 0.917 79 T HN 0.677 nan 8.240 nan 0.000 0.499 80 G N 0.054 108.850 108.800 -0.008 0.000 2.143 80 G HA2 0.205 4.165 3.960 -0.000 0.000 0.249 80 G HA3 0.205 4.165 3.960 -0.000 0.000 0.249 80 G C 0.408 175.299 174.900 -0.015 0.000 0.981 80 G CA -0.285 44.803 45.100 -0.019 0.000 0.665 80 G HN 1.469 nan 8.290 nan 0.000 0.528 81 G N -1.582 107.214 108.800 -0.007 0.000 2.441 81 G HA2 0.695 4.655 3.960 -0.000 0.000 0.294 81 G HA3 0.695 4.655 3.960 -0.000 0.000 0.294 81 G C -3.318 171.592 174.900 0.017 0.000 1.393 81 G CA -0.076 45.025 45.100 0.000 0.000 0.796 81 G HN 0.231 nan 8.290 nan 0.000 0.494 82 P HA 0.331 nan 4.420 nan 0.000 0.272 82 P C 0.406 177.751 177.300 0.075 0.000 1.240 82 P CA -0.481 62.669 63.100 0.083 0.000 0.791 82 P CB 0.525 32.321 31.700 0.159 0.000 0.978 83 I N 0.365 120.992 120.570 0.094 0.000 3.015 83 I HA -0.130 4.040 4.170 -0.000 0.000 0.309 83 I C 0.985 177.117 176.117 0.024 0.000 1.229 83 I CA 0.935 62.266 61.300 0.052 0.000 1.430 83 I CB -0.538 37.492 38.000 0.050 0.000 1.347 83 I HN 0.348 nan 8.210 nan 0.000 0.544 84 S N 6.778 122.481 115.700 0.005 0.000 2.565 84 S HA 0.782 5.252 4.470 -0.000 0.000 0.290 84 S C -0.440 174.140 174.600 -0.034 0.000 1.150 84 S CA -0.803 57.388 58.200 -0.015 0.000 1.058 84 S CB 2.062 65.252 63.200 -0.018 0.000 1.032 84 S HN 0.497 nan 8.310 nan 0.000 0.510 85 V N -1.137 118.744 119.914 -0.054 0.000 2.735 85 V HA 0.769 4.889 4.120 -0.000 0.000 0.310 85 V C -2.866 173.165 176.094 -0.106 0.000 1.061 85 V CA -2.868 59.389 62.300 -0.071 0.000 0.913 85 V CB 1.384 33.164 31.823 -0.072 0.000 1.005 85 V HN 0.833 nan 8.190 nan 0.000 0.428 86 P HA 0.279 nan 4.420 nan 0.000 0.268 86 P C -0.360 176.808 177.300 -0.220 0.000 1.205 86 P CA 0.221 63.229 63.100 -0.153 0.000 0.771 86 P CB 1.372 33.002 31.700 -0.117 0.000 0.858 87 V N -1.253 118.451 119.914 -0.349 0.000 3.074 87 V HA 0.994 5.114 4.120 -0.000 0.000 0.314 87 V C 0.140 175.864 176.094 -0.617 0.000 1.117 87 V CA -0.152 61.825 62.300 -0.539 0.000 1.014 87 V CB 1.128 32.495 31.823 -0.760 0.000 1.057 87 V HN 1.035 nan 8.190 nan 0.000 0.438 88 G N 1.955 110.391 108.800 -0.607 0.000 2.422 88 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.607 88 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.607 88 G C -0.107 174.838 174.900 0.074 0.000 1.270 88 G CA 0.038 45.003 45.100 -0.224 0.000 0.992 88 G HN 0.945 nan 8.290 nan 0.000 0.499 89 R N 0.272 120.898 120.500 0.209 0.000 2.189 89 R HA 0.223 4.563 4.340 -0.000 0.000 0.223 89 R C 2.742 179.050 176.300 0.013 0.000 1.092 89 R CA 2.052 58.232 56.100 0.134 0.000 0.989 89 R CB -0.291 30.073 30.300 0.107 0.000 0.876 89 R HN 0.852 nan 8.270 nan 0.000 0.457 90 E N 0.595 120.795 120.200 0.000 0.000 2.516 90 E HA -0.097 4.253 4.350 -0.000 0.000 0.199 90 E C 1.534 178.114 176.600 -0.033 0.000 1.069 90 E CA 1.309 57.694 56.400 -0.024 0.000 0.876 90 E CB -0.722 28.959 29.700 -0.031 0.000 0.843 90 E HN 0.583 nan 8.360 nan 0.000 0.530 91 T N -2.016 112.523 114.554 -0.025 0.000 3.051 91 T HA 0.282 4.631 4.350 -0.000 0.000 0.255 91 T C 1.094 175.789 174.700 -0.009 0.000 1.085 91 T CA -0.351 61.736 62.100 -0.021 0.000 1.109 91 T CB -0.385 68.469 68.868 -0.024 0.000 0.921 91 T HN 0.312 nan 8.240 nan 0.000 0.488 92 L N 1.948 123.154 121.223 -0.029 0.000 2.490 92 L HA 0.428 4.768 4.340 -0.000 0.000 0.274 92 L C 1.747 178.582 176.870 -0.057 0.000 1.201 92 L CA 0.891 55.676 54.840 -0.092 0.000 0.869 92 L CB -0.029 41.858 42.059 -0.286 0.000 1.123 92 L HN 0.558 nan 8.230 nan 0.000 0.484 93 G N 1.606 110.388 108.800 -0.030 0.000 2.184 93 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.264 93 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.264 93 G C 0.355 175.292 174.900 0.061 0.000 0.975 93 G CA -0.229 44.880 45.100 0.015 0.000 0.642 93 G HN 0.489 nan 8.290 nan 0.000 0.536 94 R N -0.148 120.361 120.500 0.015 0.000 2.720 94 R HA 0.720 5.060 4.340 -0.000 0.000 0.272 94 R C 0.425 176.683 176.300 -0.071 0.000 0.991 94 R CA -0.886 55.209 56.100 -0.007 0.000 1.010 94 R CB 0.962 31.247 30.300 -0.024 0.000 1.141 94 R HN 0.329 nan 8.270 nan 0.000 0.494 95 I N 2.289 122.782 120.570 -0.128 0.000 2.377 95 I HA 0.467 4.637 4.170 -0.000 0.000 0.293 95 I C 0.018 176.063 176.117 -0.120 0.000 0.987 95 I CA -0.651 60.531 61.300 -0.196 0.000 1.185 95 I CB 1.146 38.989 38.000 -0.261 0.000 1.341 95 I HN 0.286 nan 8.210 nan 0.000 0.455 96 I N 5.427 125.926 120.570 -0.118 0.000 2.686 96 I HA 0.278 4.448 4.170 -0.000 0.000 0.295 96 I C -0.232 175.866 176.117 -0.031 0.000 1.114 96 I CA -0.514 60.747 61.300 -0.065 0.000 1.038 96 I CB 2.083 40.042 38.000 -0.067 0.000 1.238 96 I HN 0.687 nan 8.210 nan 0.000 0.420 97 N N 4.660 123.359 118.700 -0.001 0.000 2.514 97 N HA 0.146 4.886 4.740 -0.000 0.000 0.299 97 N C 0.698 176.218 175.510 0.017 0.000 1.292 97 N CA -0.562 52.505 53.050 0.029 0.000 0.963 97 N CB 0.083 38.591 38.487 0.035 0.000 1.124 97 N HN 0.330 nan 8.380 nan 0.000 0.580 98 V N -0.520 119.409 119.914 0.026 0.000 2.515 98 V HA -0.067 4.053 4.120 -0.000 0.000 0.250 98 V C 1.623 177.719 176.094 0.003 0.000 1.058 98 V CA 1.573 63.882 62.300 0.015 0.000 1.064 98 V CB -0.815 31.022 31.823 0.024 0.000 0.675 98 V HN 0.638 nan 8.190 nan 0.000 0.461 99 I N -1.878 118.695 120.570 0.006 0.000 3.806 99 I HA 0.502 4.672 4.170 -0.000 0.000 0.321 99 I C 1.320 177.431 176.117 -0.010 0.000 1.315 99 I CA 0.638 61.939 61.300 0.001 0.000 1.148 99 I CB -0.458 37.547 38.000 0.009 0.000 1.028 99 I HN 0.272 nan 8.210 nan 0.000 0.415 100 G N 0.849 109.639 108.800 -0.018 0.000 2.162 100 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 100 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 100 G C -0.019 174.864 174.900 -0.028 0.000 0.976 100 G CA 0.103 45.185 45.100 -0.031 0.000 0.655 100 G HN 0.641 nan 8.290 nan 0.000 0.533 101 E N 1.563 121.752 120.200 -0.018 0.000 2.331 101 E HA 0.364 4.714 4.350 -0.000 0.000 0.272 101 E C -2.172 174.416 176.600 -0.020 0.000 1.036 101 E CA -1.728 54.662 56.400 -0.016 0.000 0.864 101 E CB 1.254 30.950 29.700 -0.007 0.000 1.035 101 E HN 0.190 nan 8.360 nan 0.000 0.408 102 P HA 0.058 nan 4.420 nan 0.000 0.276 102 P C -0.013 177.274 177.300 -0.022 0.000 1.230 102 P CA 0.281 63.364 63.100 -0.028 0.000 0.776 102 P CB 0.266 31.951 31.700 -0.025 0.000 0.888 103 I N -0.417 120.136 120.570 -0.029 0.000 3.707 103 I HA 0.296 4.466 4.170 -0.000 0.000 0.330 103 I C -0.148 175.941 176.117 -0.047 0.000 1.572 103 I CA -0.363 60.925 61.300 -0.020 0.000 1.104 103 I CB 0.024 38.028 38.000 0.007 0.000 1.240 103 I HN 0.016 nan 8.210 nan 0.000 0.475 104 D N 0.593 120.956 120.400 -0.061 0.000 2.440 104 D HA 0.162 4.802 4.640 -0.000 0.000 0.216 104 D C 1.064 177.353 176.300 -0.018 0.000 1.150 104 D CA 0.746 54.697 54.000 -0.082 0.000 0.832 104 D CB 0.214 40.939 40.800 -0.126 0.000 0.992 104 D HN 0.418 nan 8.370 nan 0.000 0.502 105 E N 0.654 120.848 120.200 -0.009 0.000 3.065 105 E HA -0.351 3.999 4.350 -0.000 0.000 0.277 105 E C 1.122 177.730 176.600 0.013 0.000 1.008 105 E CA 1.520 57.924 56.400 0.006 0.000 0.864 105 E CB -2.891 26.817 29.700 0.013 0.000 1.439 105 E HN 0.606 nan 8.360 nan 0.000 0.445 106 R N -0.685 119.823 120.500 0.012 0.000 2.388 106 R HA 0.454 4.794 4.340 -0.000 0.000 0.247 106 R C 1.441 177.747 176.300 0.009 0.000 0.931 106 R CA 0.521 56.633 56.100 0.019 0.000 1.082 106 R CB 0.285 30.604 30.300 0.032 0.000 1.135 106 R HN 1.468 nan 8.270 nan 0.000 0.525 107 G N 2.071 110.873 108.800 0.003 0.000 2.710 107 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.668 107 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.668 107 G C -2.680 172.216 174.900 -0.006 0.000 1.320 107 G CA -1.228 43.872 45.100 -0.001 0.000 0.860 107 G HN 0.014 nan 8.290 nan 0.000 0.538 108 P HA 0.355 nan 4.420 nan 0.000 0.268 108 P C 0.140 177.429 177.300 -0.018 0.000 1.205 108 P CA -0.086 63.005 63.100 -0.014 0.000 0.771 108 P CB 0.442 32.135 31.700 -0.013 0.000 0.858 109 I N 3.037 123.591 120.570 -0.026 0.000 2.460 109 I HA 0.012 4.182 4.170 -0.000 0.000 0.297 109 I C 1.671 177.767 176.117 -0.035 0.000 1.139 109 I CA 0.478 61.758 61.300 -0.033 0.000 1.340 109 I CB -0.414 37.559 38.000 -0.046 0.000 1.444 109 I HN 0.210 nan 8.210 nan 0.000 0.557 110 K N 3.984 124.367 120.400 -0.028 0.000 3.120 110 K HA 0.017 4.337 4.320 -0.000 0.000 0.275 110 K C 0.588 177.167 176.600 -0.034 0.000 0.914 110 K CA -0.081 56.190 56.287 -0.026 0.000 1.125 110 K CB -0.066 32.425 32.500 -0.016 0.000 1.053 110 K HN 0.598 nan 8.250 nan 0.000 0.450 111 S N -0.093 115.576 115.700 -0.052 0.000 2.565 111 S HA 0.207 4.676 4.470 -0.000 0.000 0.276 111 S C 1.226 175.783 174.600 -0.072 0.000 1.326 111 S CA 0.067 58.222 58.200 -0.075 0.000 1.045 111 S CB 1.330 64.462 63.200 -0.113 0.000 0.918 111 S HN 0.479 nan 8.310 nan 0.000 0.505 112 K N 3.983 124.338 120.400 -0.074 0.000 2.166 112 K HA 0.350 4.670 4.320 -0.000 0.000 0.201 112 K C 0.778 177.333 176.600 -0.075 0.000 1.052 112 K CA 0.857 57.109 56.287 -0.057 0.000 0.969 112 K CB -0.799 31.680 32.500 -0.035 0.000 0.761 112 K HN 0.706 nan 8.250 nan 0.000 0.459 113 L N 0.296 121.446 121.223 -0.121 0.000 2.416 113 L HA 0.546 4.886 4.340 -0.000 0.000 0.262 113 L C 0.266 177.040 176.870 -0.160 0.000 1.093 113 L CA -1.078 53.678 54.840 -0.140 0.000 0.801 113 L CB 1.794 43.730 42.059 -0.204 0.000 1.191 113 L HN 0.217 nan 8.230 nan 0.000 0.459 114 R N 1.012 121.436 120.500 -0.127 0.000 2.698 114 R HA 0.577 4.917 4.340 -0.000 0.000 0.275 114 R C -1.369 174.877 176.300 -0.091 0.000 1.001 114 R CA -1.065 54.967 56.100 -0.113 0.000 0.896 114 R CB 2.473 32.730 30.300 -0.072 0.000 1.218 114 R HN 0.436 nan 8.270 nan 0.000 0.462 115 K N 2.063 122.411 120.400 -0.087 0.000 2.435 115 K HA 0.475 4.795 4.320 -0.000 0.000 0.251 115 K C -2.696 173.885 176.600 -0.031 0.000 0.954 115 K CA -2.052 54.206 56.287 -0.047 0.000 0.820 115 K CB 2.575 35.052 32.500 -0.039 0.000 1.292 115 K HN 0.347 nan 8.250 nan 0.000 0.436 116 P HA 0.169 nan 4.420 nan 0.000 0.275 116 P C 0.806 178.103 177.300 -0.005 0.000 1.228 116 P CA -0.287 62.819 63.100 0.012 0.000 0.786 116 P CB 0.511 32.234 31.700 0.038 0.000 0.927 117 I N -1.278 119.274 120.570 -0.030 0.000 2.876 117 I HA 0.083 4.252 4.170 -0.000 0.000 0.264 117 I C 0.687 176.696 176.117 -0.180 0.000 1.204 117 I CA 0.507 61.733 61.300 -0.123 0.000 1.485 117 I CB -0.708 37.180 38.000 -0.186 0.000 1.103 117 I HN 0.236 nan 8.210 nan 0.000 0.446 118 H N 2.831 121.901 119.070 0.001 0.000 2.604 118 H HA 0.768 5.324 4.556 -0.000 0.000 0.306 118 H C -0.424 174.904 175.328 -0.000 0.000 1.075 118 H CA -0.057 55.993 56.048 0.003 0.000 1.357 118 H CB 1.490 31.253 29.762 0.002 0.000 1.426 118 H HN 0.436 nan 8.280 nan 0.000 0.470 119 A N 3.529 126.408 122.820 0.098 0.000 2.612 119 A HA 0.261 4.581 4.320 -0.000 0.000 0.293 119 A C -0.999 176.613 177.584 0.046 0.000 1.075 119 A CA -0.971 51.101 52.037 0.058 0.000 0.680 119 A CB 1.416 20.435 19.000 0.032 0.000 1.279 119 A HN 0.516 nan 8.150 nan 0.000 0.411 120 D N 1.972 122.393 120.400 0.035 0.000 2.414 120 D HA 0.458 5.098 4.640 -0.000 0.000 0.242 120 D C -2.063 174.250 176.300 0.022 0.000 1.129 120 D CA -0.232 53.786 54.000 0.029 0.000 0.885 120 D CB 0.477 41.293 40.800 0.025 0.000 1.198 120 D HN 0.256 nan 8.370 nan 0.000 0.437 121 P HA 0.186 nan 4.420 nan 0.000 0.270 121 P C -2.489 174.821 177.300 0.017 0.000 1.223 121 P CA -0.955 62.154 63.100 0.016 0.000 0.785 121 P CB -0.378 31.338 31.700 0.025 0.000 0.923 122 P HA -0.024 nan 4.420 nan 0.000 0.261 122 P C 0.106 177.417 177.300 0.018 0.000 1.173 122 P CA 0.339 63.440 63.100 0.002 0.000 0.760 122 P CB 0.041 31.731 31.700 -0.017 0.000 0.783 123 S N 3.096 118.812 115.700 0.026 0.000 2.576 123 S HA 0.010 4.480 4.470 -0.000 0.000 0.272 123 S C 1.038 175.687 174.600 0.083 0.000 1.352 123 S CA -0.434 57.805 58.200 0.065 0.000 1.021 123 S CB -0.057 63.180 63.200 0.061 0.000 0.887 123 S HN 0.424 nan 8.310 nan 0.000 0.542 124 F N 2.312 122.261 119.950 -0.002 0.000 2.115 124 F HA -0.164 4.363 4.527 -0.000 0.000 0.300 124 F C 2.391 178.188 175.800 -0.005 0.000 1.092 124 F CA 2.102 60.100 58.000 -0.003 0.000 1.245 124 F CB -0.994 38.004 39.000 -0.003 0.000 0.995 124 F HN 0.760 nan 8.300 nan 0.000 0.481 125 A N -0.362 122.509 122.820 0.084 0.000 1.972 125 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 125 A C 2.008 179.532 177.584 -0.100 0.000 1.169 125 A CA 1.712 53.733 52.037 -0.026 0.000 0.635 125 A CB -0.814 18.229 19.000 0.071 0.000 0.810 125 A HN 0.572 nan 8.150 nan 0.000 0.446 126 E N 0.019 120.177 120.200 -0.069 0.000 2.478 126 E HA -0.040 4.310 4.350 -0.000 0.000 0.198 126 E C 0.119 176.655 176.600 -0.107 0.000 1.046 126 E CA 0.051 56.410 56.400 -0.068 0.000 0.870 126 E CB 0.089 29.767 29.700 -0.036 0.000 0.818 126 E HN 0.540 nan 8.360 nan 0.000 0.527 127 Q N 0.988 120.680 119.800 -0.179 0.000 2.293 127 Q HA 0.070 4.410 4.340 -0.000 0.000 0.263 127 Q C -0.152 175.738 176.000 -0.183 0.000 1.002 127 Q CA -0.029 55.660 55.803 -0.189 0.000 0.910 127 Q CB 1.518 30.097 28.738 -0.266 0.000 1.185 127 Q HN 0.035 nan 8.270 nan 0.000 0.401 128 S N 1.796 117.422 115.700 -0.123 0.000 2.561 128 S HA -0.044 4.426 4.470 -0.000 0.000 0.294 128 S C 1.113 175.643 174.600 -0.117 0.000 1.294 128 S CA 0.638 58.776 58.200 -0.104 0.000 1.055 128 S CB 0.391 63.544 63.200 -0.078 0.000 0.819 128 S HN 0.720 nan 8.310 nan 0.000 0.503 129 T N 1.119 115.612 114.554 -0.103 0.000 3.054 129 T HA 0.366 4.716 4.350 -0.000 0.000 0.255 129 T C 0.003 174.664 174.700 -0.065 0.000 1.035 129 T CA -0.315 61.726 62.100 -0.100 0.000 0.941 129 T CB -0.024 68.785 68.868 -0.099 0.000 1.026 129 T HN 0.361 nan 8.240 nan 0.000 0.533 130 S N 1.411 117.077 115.700 -0.056 0.000 2.672 130 S HA 0.749 5.219 4.470 -0.000 0.000 0.291 130 S C -0.022 174.553 174.600 -0.041 0.000 1.145 130 S CA -0.906 57.268 58.200 -0.043 0.000 1.013 130 S CB 1.474 64.652 63.200 -0.037 0.000 1.017 130 S HN 0.697 nan 8.310 nan 0.000 0.487 131 A N 3.121 125.919 122.820 -0.036 0.000 2.520 131 A HA 0.482 4.802 4.320 -0.000 0.000 0.235 131 A C 0.374 177.939 177.584 -0.031 0.000 1.065 131 A CA 0.066 52.083 52.037 -0.033 0.000 0.764 131 A CB 0.010 18.994 19.000 -0.027 0.000 1.002 131 A HN 0.854 nan 8.150 nan 0.000 0.502 132 E N 1.576 121.758 120.200 -0.031 0.000 2.354 132 E HA 0.402 4.752 4.350 -0.000 0.000 0.283 132 E C -1.361 175.225 176.600 -0.023 0.000 0.938 132 E CA -1.073 55.309 56.400 -0.029 0.000 0.777 132 E CB 0.610 30.289 29.700 -0.034 0.000 1.222 132 E HN 0.294 nan 8.360 nan 0.000 0.423 133 I N 2.267 122.828 120.570 -0.016 0.000 2.752 133 I HA -0.021 4.149 4.170 -0.000 0.000 0.289 133 I C 0.122 176.233 176.117 -0.009 0.000 1.197 133 I CA -0.203 61.098 61.300 0.002 0.000 1.432 133 I CB 0.170 38.175 38.000 0.008 0.000 1.359 133 I HN 0.602 nan 8.210 nan 0.000 0.571 134 L N 7.376 128.606 121.223 0.010 0.000 2.270 134 L HA 0.253 4.593 4.340 -0.000 0.000 0.286 134 L C 0.575 177.451 176.870 0.011 0.000 1.059 134 L CA -0.061 54.761 54.840 -0.029 0.000 0.839 134 L CB 0.249 42.298 42.059 -0.016 0.000 1.221 134 L HN 0.580 nan 8.230 nan 0.000 0.431 135 E N 2.461 122.683 120.200 0.038 0.000 2.417 135 E HA -0.083 4.267 4.350 -0.000 0.000 0.261 135 E C 0.062 176.716 176.600 0.091 0.000 1.000 135 E CA 0.281 56.726 56.400 0.074 0.000 0.919 135 E CB 1.039 30.810 29.700 0.118 0.000 0.955 135 E HN 0.681 nan 8.360 nan 0.000 0.455 136 T N 2.443 116.968 114.554 -0.047 0.000 3.010 136 T HA 0.239 4.589 4.350 -0.000 0.000 0.257 136 T C 0.985 175.592 174.700 -0.156 0.000 1.020 136 T CA 0.802 62.822 62.100 -0.133 0.000 0.938 136 T CB -0.118 68.545 68.868 -0.343 0.000 1.049 136 T HN 0.795 nan 8.240 nan 0.000 0.522 137 G N 1.608 110.340 108.800 -0.114 0.000 2.148 137 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.254 137 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.254 137 G C 0.039 174.882 174.900 -0.095 0.000 0.981 137 G CA 0.374 45.407 45.100 -0.113 0.000 0.670 137 G HN 0.593 nan 8.290 nan 0.000 0.528 138 I N 0.076 120.589 120.570 -0.095 0.000 2.410 138 I HA 0.282 4.452 4.170 -0.000 0.000 0.286 138 I C 1.400 177.507 176.117 -0.016 0.000 1.009 138 I CA -0.970 60.319 61.300 -0.018 0.000 1.111 138 I CB 1.539 39.525 38.000 -0.024 0.000 1.262 138 I HN -0.038 nan 8.210 nan 0.000 0.443 139 K N 3.390 123.784 120.400 -0.011 0.000 2.001 139 K HA -0.231 4.089 4.320 -0.000 0.000 0.223 139 K C 1.887 178.407 176.600 -0.133 0.000 1.055 139 K CA 2.410 58.639 56.287 -0.097 0.000 0.965 139 K CB -0.287 32.151 32.500 -0.103 0.000 0.730 139 K HN 0.644 nan 8.250 nan 0.000 0.449 140 V N -0.113 119.764 119.914 -0.062 0.000 2.250 140 V HA -0.293 3.827 4.120 -0.000 0.000 0.253 140 V C 2.296 178.380 176.094 -0.017 0.000 1.065 140 V CA 2.140 64.410 62.300 -0.049 0.000 1.039 140 V CB -1.206 30.647 31.823 0.050 0.000 0.647 140 V HN 0.108 nan 8.190 nan 0.000 0.446 141 V N 0.814 120.752 119.914 0.041 0.000 2.223 141 V HA -0.259 3.861 4.120 -0.000 0.000 0.244 141 V C 2.578 178.672 176.094 -0.001 0.000 1.045 141 V CA 2.570 64.892 62.300 0.037 0.000 1.000 141 V CB -0.950 30.840 31.823 -0.054 0.000 0.635 141 V HN 0.526 nan 8.190 nan 0.000 0.445 142 D N -0.191 120.183 120.400 -0.043 0.000 2.126 142 D HA -0.191 4.449 4.640 -0.000 0.000 0.190 142 D C 1.919 178.275 176.300 0.092 0.000 1.001 142 D CA 1.591 55.598 54.000 0.010 0.000 0.841 142 D CB -0.443 40.343 40.800 -0.024 0.000 0.949 142 D HN 0.311 nan 8.370 nan 0.000 0.446 143 L N -0.052 121.143 121.223 -0.048 0.000 2.005 143 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 143 L C 2.053 178.960 176.870 0.062 0.000 1.072 143 L CA 1.601 56.389 54.840 -0.086 0.000 0.744 143 L CB -0.399 41.419 42.059 -0.402 0.000 0.895 143 L HN 0.036 nan 8.230 nan 0.000 0.433 144 L N -1.391 119.818 121.223 -0.023 0.000 2.470 144 L HA 0.329 4.669 4.340 -0.000 0.000 0.219 144 L C 0.717 177.607 176.870 0.033 0.000 1.071 144 L CA 0.489 55.319 54.840 -0.017 0.000 0.850 144 L CB 0.016 42.036 42.059 -0.065 0.000 1.040 144 L HN 0.256 nan 8.230 nan 0.000 0.475 145 A N 0.742 123.606 122.820 0.073 0.000 3.370 145 A HA 0.426 4.746 4.320 -0.000 0.000 0.295 145 A C -2.629 175.067 177.584 0.188 0.000 1.030 145 A CA -0.882 51.224 52.037 0.116 0.000 0.883 145 A CB -0.199 18.880 19.000 0.131 0.000 1.191 145 A HN -0.155 nan 8.150 nan 0.000 0.507 146 P HA 0.115 nan 4.420 nan 0.000 0.268 146 P C -0.853 176.623 177.300 0.294 0.000 1.205 146 P CA 0.323 63.521 63.100 0.163 0.000 0.771 146 P CB 0.515 32.256 31.700 0.069 0.000 0.858 147 Y N 0.814 121.130 120.300 0.027 0.000 2.425 147 Y HA 0.290 4.840 4.550 -0.000 0.000 0.331 147 Y C 1.262 177.153 175.900 -0.016 0.000 1.157 147 Y CA -1.133 56.973 58.100 0.010 0.000 1.372 147 Y CB -0.185 38.281 38.460 0.010 0.000 1.253 147 Y HN 0.397 nan 8.280 nan 0.000 0.536 148 A N 4.837 127.712 122.820 0.091 0.000 2.366 148 A HA 0.369 4.688 4.320 -0.000 0.000 0.272 148 A C 0.487 178.075 177.584 0.008 0.000 1.135 148 A CA -0.760 51.292 52.037 0.026 0.000 0.804 148 A CB -0.003 18.992 19.000 -0.008 0.000 1.064 148 A HN 0.833 nan 8.150 nan 0.000 0.499 149 R N 2.095 122.587 120.500 -0.013 0.000 2.421 149 R HA 0.347 4.686 4.340 -0.000 0.000 0.305 149 R C 1.224 177.494 176.300 -0.050 0.000 1.039 149 R CA 1.413 57.487 56.100 -0.044 0.000 1.003 149 R CB -0.162 30.097 30.300 -0.068 0.000 0.959 149 R HN 1.698 nan 8.270 nan 0.000 0.427 150 G N 2.620 111.385 108.800 -0.058 0.000 2.155 150 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.257 150 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.257 150 G C 0.321 175.185 174.900 -0.059 0.000 0.983 150 G CA 0.111 45.175 45.100 -0.060 0.000 0.676 150 G HN 0.939 nan 8.290 nan 0.000 0.528 151 G N -0.933 107.830 108.800 -0.063 0.000 2.532 151 G HA2 0.669 4.629 3.960 -0.000 0.000 0.291 151 G HA3 0.669 4.629 3.960 -0.000 0.000 0.291 151 G C -0.290 174.547 174.900 -0.105 0.000 1.349 151 G CA -0.508 44.551 45.100 -0.069 0.000 1.038 151 G HN 0.403 nan 8.290 nan 0.000 0.518 152 K N -1.141 119.191 120.400 -0.114 0.000 2.316 152 K HA 0.644 4.963 4.320 -0.000 0.000 0.251 152 K C -1.100 175.378 176.600 -0.204 0.000 0.934 152 K CA -0.329 55.863 56.287 -0.158 0.000 0.802 152 K CB 2.366 34.792 32.500 -0.123 0.000 1.171 152 K HN 0.266 nan 8.250 nan 0.000 0.426 153 I N 0.918 121.325 120.570 -0.272 0.000 2.498 153 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 153 I C 0.193 176.166 176.117 -0.240 0.000 1.032 153 I CA -0.529 60.579 61.300 -0.321 0.000 1.073 153 I CB 2.320 39.938 38.000 -0.635 0.000 1.251 153 I HN 0.640 nan 8.210 nan 0.000 0.426 154 G N 5.703 114.392 108.800 -0.184 0.000 2.333 154 G HA2 0.499 4.459 3.960 -0.000 0.000 0.290 154 G HA3 0.499 4.459 3.960 -0.000 0.000 0.290 154 G C -1.001 173.810 174.900 -0.147 0.000 1.150 154 G CA -0.298 44.654 45.100 -0.247 0.000 0.895 154 G HN 0.447 nan 8.290 nan 0.000 0.444 155 L N 3.394 124.477 121.223 -0.234 0.000 2.265 155 L HA 0.721 5.061 4.340 -0.000 0.000 0.289 155 L C -1.094 175.645 176.870 -0.219 0.000 1.033 155 L CA -0.904 53.887 54.840 -0.081 0.000 0.814 155 L CB 0.319 42.395 42.059 0.029 0.000 1.203 155 L HN 0.366 nan 8.230 nan 0.000 0.423 156 F N 2.830 122.766 119.950 -0.023 0.000 2.557 156 F HA 0.843 5.370 4.527 0.000 0.000 0.336 156 F C 0.955 176.751 175.800 -0.007 0.000 1.058 156 F CA -0.110 57.883 58.000 -0.011 0.000 0.988 156 F CB 1.597 40.590 39.000 -0.011 0.000 1.275 156 F HN 0.705 nan 8.300 nan 0.000 0.488 157 G N 0.414 109.347 108.800 0.222 0.000 2.862 157 G HA2 0.178 4.138 3.960 -0.000 0.000 0.686 157 G HA3 0.178 4.138 3.960 -0.000 0.000 0.686 157 G C 0.296 175.255 174.900 0.099 0.000 1.134 157 G CA -0.538 44.637 45.100 0.124 0.000 0.791 157 G HN 1.158 nan 8.290 nan 0.000 0.592 158 G N 1.117 109.974 108.800 0.096 0.000 2.561 158 G HA2 0.714 4.674 3.960 -0.000 0.000 0.208 158 G HA3 0.714 4.674 3.960 -0.000 0.000 0.208 158 G C 0.790 175.747 174.900 0.094 0.000 1.510 158 G CA 1.695 46.857 45.100 0.103 0.000 0.941 158 G HN 2.303 nan 8.290 nan 0.000 0.478 159 A N -2.892 119.980 122.820 0.086 0.000 2.454 159 A HA 0.651 4.971 4.320 -0.000 0.000 0.302 159 A C 0.674 178.307 177.584 0.082 0.000 1.079 159 A CA 0.403 52.491 52.037 0.086 0.000 0.731 159 A CB 1.135 20.183 19.000 0.080 0.000 1.299 159 A HN 2.211 nan 8.150 nan 0.000 0.413 160 G N -0.440 108.415 108.800 0.092 0.000 2.157 160 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.239 160 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.239 160 G C 0.569 175.537 174.900 0.113 0.000 0.982 160 G CA 0.877 46.037 45.100 0.100 0.000 0.650 160 G HN 2.051 nan 8.290 nan 0.000 0.527 161 V N -2.334 117.648 119.914 0.113 0.000 3.376 161 V HA 0.652 4.772 4.120 -0.000 0.000 0.313 161 V C 1.781 177.985 176.094 0.183 0.000 1.393 161 V CA 0.615 62.981 62.300 0.111 0.000 1.125 161 V CB -0.088 31.772 31.823 0.062 0.000 1.037 161 V HN 2.080 nan 8.190 nan 0.000 0.440 162 G N 1.332 110.258 108.800 0.210 0.000 2.198 162 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.257 162 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.257 162 G C 0.778 175.819 174.900 0.235 0.000 1.042 162 G CA 0.803 46.043 45.100 0.233 0.000 0.791 162 G HN 0.540 nan 8.290 nan 0.000 0.502 163 K N -0.374 120.135 120.400 0.182 0.000 2.044 163 K HA -0.179 4.141 4.320 -0.000 0.000 0.210 163 K C 2.987 179.718 176.600 0.219 0.000 1.049 163 K CA 2.553 58.961 56.287 0.200 0.000 0.927 163 K CB -0.240 32.351 32.500 0.151 0.000 0.713 163 K HN 0.667 nan 8.250 nan 0.000 0.443 164 T N -2.018 112.612 114.554 0.126 0.000 2.812 164 T HA -0.067 4.283 4.350 -0.000 0.000 0.264 164 T C 1.959 176.666 174.700 0.012 0.000 1.042 164 T CA 1.142 63.265 62.100 0.037 0.000 1.140 164 T CB -0.485 68.371 68.868 -0.021 0.000 0.870 164 T HN -0.032 nan 8.240 nan 0.000 0.445 165 V N 0.746 120.688 119.914 0.047 0.000 2.407 165 V HA -0.022 4.098 4.120 -0.000 0.000 0.248 165 V C 2.175 178.382 176.094 0.189 0.000 1.055 165 V CA 1.751 64.087 62.300 0.059 0.000 1.049 165 V CB -0.923 30.927 31.823 0.044 0.000 0.662 165 V HN 0.515 nan 8.190 nan 0.000 0.455 166 F N 0.151 120.202 119.950 0.169 0.000 2.186 166 F HA -0.141 4.386 4.527 0.000 0.000 0.299 166 F C 2.034 177.888 175.800 0.091 0.000 1.090 166 F CA 1.611 59.746 58.000 0.225 0.000 1.307 166 F CB -0.070 39.096 39.000 0.276 0.000 1.019 166 F HN 0.060 nan 8.300 nan 0.000 0.489 167 I N 0.107 120.793 120.570 0.193 0.000 2.202 167 I HA -0.316 3.854 4.170 -0.000 0.000 0.242 167 I C 2.375 178.357 176.117 -0.225 0.000 1.091 167 I CA 1.475 62.757 61.300 -0.031 0.000 1.368 167 I CB -0.547 37.330 38.000 -0.205 0.000 1.058 167 I HN 0.184 nan 8.210 nan 0.000 0.410 168 Q N 0.016 119.693 119.800 -0.205 0.000 2.124 168 Q HA -0.280 4.060 4.340 -0.000 0.000 0.202 168 Q C 2.096 177.964 176.000 -0.221 0.000 0.977 168 Q CA 1.659 57.336 55.803 -0.210 0.000 0.850 168 Q CB -0.127 28.501 28.738 -0.183 0.000 0.901 168 Q HN 0.351 nan 8.270 nan 0.000 0.429 169 E N 1.021 121.029 120.200 -0.321 0.000 2.077 169 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 169 E C 1.756 178.098 176.600 -0.431 0.000 0.989 169 E CA 1.011 57.098 56.400 -0.522 0.000 0.800 169 E CB -0.243 28.753 29.700 -1.174 0.000 0.746 169 E HN 0.289 nan 8.360 nan 0.000 0.452 170 L N 0.102 121.108 121.223 -0.362 0.000 1.989 170 L HA -0.208 4.132 4.340 -0.000 0.000 0.211 170 L C 2.537 179.415 176.870 0.014 0.000 1.071 170 L CA 1.454 56.208 54.840 -0.144 0.000 0.749 170 L CB -0.504 41.606 42.059 0.086 0.000 0.890 170 L HN 0.242 nan 8.230 nan 0.000 0.431 171 I N -0.054 120.562 120.570 0.078 0.000 2.194 171 I HA -0.358 3.812 4.170 -0.000 0.000 0.246 171 I C 2.293 178.414 176.117 0.007 0.000 1.093 171 I CA 1.930 63.292 61.300 0.102 0.000 1.355 171 I CB -0.492 37.535 38.000 0.046 0.000 1.046 171 I HN 0.403 nan 8.210 nan 0.000 0.413 172 N N 1.054 119.711 118.700 -0.072 0.000 2.109 172 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 172 N C 1.627 177.066 175.510 -0.118 0.000 1.034 172 N CA 1.488 54.481 53.050 -0.095 0.000 0.846 172 N CB -0.072 38.337 38.487 -0.130 0.000 1.010 172 N HN 0.123 nan 8.380 nan 0.000 0.425 173 N N 0.373 118.974 118.700 -0.165 0.000 2.104 173 N HA -0.108 4.632 4.740 -0.000 0.000 0.190 173 N C 1.392 176.808 175.510 -0.156 0.000 1.024 173 N CA 0.937 53.879 53.050 -0.180 0.000 0.853 173 N CB -0.292 38.059 38.487 -0.227 0.000 1.008 173 N HN 0.323 nan 8.380 nan 0.000 0.424 174 I N 0.699 121.227 120.570 -0.070 0.000 2.315 174 I HA -0.095 4.075 4.170 -0.000 0.000 0.248 174 I C 2.145 178.237 176.117 -0.042 0.000 1.117 174 I CA 0.603 61.921 61.300 0.029 0.000 1.404 174 I CB -1.596 36.459 38.000 0.092 0.000 1.071 174 I HN 0.038 nan 8.210 nan 0.000 0.419 175 A N 0.524 123.301 122.820 -0.071 0.000 1.930 175 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 175 A C 2.256 179.758 177.584 -0.136 0.000 1.175 175 A CA 1.211 53.181 52.037 -0.112 0.000 0.627 175 A CB -0.212 18.756 19.000 -0.054 0.000 0.815 175 A HN 0.220 nan 8.150 nan 0.000 0.443 176 K N -0.335 119.982 120.400 -0.138 0.000 2.098 176 K HA 0.193 4.512 4.320 -0.000 0.000 0.203 176 K C 2.076 178.558 176.600 -0.196 0.000 1.051 176 K CA 1.209 57.410 56.287 -0.142 0.000 0.957 176 K CB -0.667 31.760 32.500 -0.122 0.000 0.738 176 K HN 0.392 nan 8.250 nan 0.000 0.447 177 A N 0.916 123.549 122.820 -0.311 0.000 2.072 177 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 177 A C 1.011 178.227 177.584 -0.614 0.000 1.156 177 A CA 0.948 52.678 52.037 -0.513 0.000 0.701 177 A CB -0.187 18.375 19.000 -0.730 0.000 0.816 177 A HN 0.281 nan 8.150 nan 0.000 0.458 178 H N -2.181 116.829 119.070 -0.100 0.000 3.540 178 H HA 0.221 4.777 4.556 -0.000 0.000 0.259 178 H C 1.297 176.535 175.328 -0.150 0.000 1.197 178 H CA -0.012 55.972 56.048 -0.107 0.000 1.136 178 H CB -0.294 29.410 29.762 -0.097 0.000 1.605 178 H HN 0.507 nan 8.280 nan 0.000 0.657 179 G N 1.863 110.597 108.800 -0.110 0.000 2.416 179 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.301 179 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.301 179 G C 0.657 175.332 174.900 -0.374 0.000 0.985 179 G CA 0.619 45.580 45.100 -0.231 0.000 0.934 179 G HN 0.650 nan 8.290 nan 0.000 0.513 180 G N -1.124 107.505 108.800 -0.285 0.000 2.371 180 G HA2 0.675 4.635 3.960 -0.000 0.000 0.326 180 G HA3 0.675 4.635 3.960 -0.000 0.000 0.326 180 G C -0.174 174.500 174.900 -0.376 0.000 1.127 180 G CA -0.992 43.904 45.100 -0.340 0.000 0.885 180 G HN 0.130 nan 8.290 nan 0.000 0.477 181 F N 0.366 120.154 119.950 -0.270 0.000 2.368 181 F HA 0.601 5.128 4.527 -0.000 0.000 0.308 181 F C 1.069 176.791 175.800 -0.130 0.000 1.198 181 F CA -0.458 57.355 58.000 -0.312 0.000 1.130 181 F CB 1.345 39.895 39.000 -0.750 0.000 1.300 181 F HN 0.268 nan 8.300 nan 0.000 0.537 182 S N -0.306 115.521 115.700 0.211 0.000 2.566 182 S HA 0.771 5.241 4.470 -0.000 0.000 0.298 182 S C -1.236 173.530 174.600 0.277 0.000 1.083 182 S CA -0.747 57.608 58.200 0.259 0.000 0.978 182 S CB 2.199 65.613 63.200 0.357 0.000 1.073 182 S HN 0.265 nan 8.310 nan 0.000 0.491 183 V N 2.620 122.721 119.914 0.311 0.000 2.531 183 V HA 0.505 4.625 4.120 -0.000 0.000 0.301 183 V C -1.313 174.992 176.094 0.351 0.000 1.034 183 V CA -0.662 61.804 62.300 0.276 0.000 0.865 183 V CB 1.392 33.341 31.823 0.211 0.000 0.995 183 V HN 0.840 nan 8.190 nan 0.000 0.424 184 F N 3.511 123.546 119.950 0.143 0.000 2.426 184 F HA 0.651 5.178 4.527 -0.000 0.000 0.348 184 F C 0.277 176.103 175.800 0.042 0.000 1.124 184 F CA 0.003 58.089 58.000 0.143 0.000 1.008 184 F CB 1.591 40.607 39.000 0.026 0.000 1.139 184 F HN 0.459 nan 8.300 nan 0.000 0.452 185 T N 5.104 119.418 114.554 -0.400 0.000 2.788 185 T HA 0.423 4.773 4.350 -0.000 0.000 0.296 185 T C 0.214 174.725 174.700 -0.315 0.000 1.009 185 T CA -0.585 61.372 62.100 -0.237 0.000 0.949 185 T CB 0.989 69.771 68.868 -0.144 0.000 0.946 185 T HN 0.849 nan 8.240 nan 0.000 0.453 186 G N 2.497 111.353 108.800 0.092 0.000 2.546 186 G HA2 0.465 4.425 3.960 -0.000 0.000 0.320 186 G HA3 0.465 4.425 3.960 -0.000 0.000 0.320 186 G C -0.188 174.826 174.900 0.190 0.000 0.984 186 G CA -0.327 44.944 45.100 0.284 0.000 1.183 186 G HN 0.644 nan 8.290 nan 0.000 0.443 187 V N 2.827 122.789 119.914 0.080 0.000 2.368 187 V HA 0.515 4.635 4.120 -0.000 0.000 0.266 187 V C 1.287 177.428 176.094 0.079 0.000 1.045 187 V CA 0.736 63.087 62.300 0.084 0.000 0.899 187 V CB 0.634 32.508 31.823 0.085 0.000 1.006 187 V HN 1.265 nan 8.190 nan 0.000 0.470 188 G N 4.092 112.932 108.800 0.067 0.000 2.246 188 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.273 188 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.273 188 G C 0.035 174.954 174.900 0.031 0.000 1.055 188 G CA 0.451 45.575 45.100 0.039 0.000 0.851 188 G HN 0.863 nan 8.290 nan 0.000 0.500 189 E N 0.012 120.231 120.200 0.032 0.000 2.392 189 E HA 0.394 4.744 4.350 -0.000 0.000 0.264 189 E C 0.991 177.540 176.600 -0.085 0.000 1.024 189 E CA -0.361 56.023 56.400 -0.026 0.000 0.903 189 E CB 0.322 29.956 29.700 -0.111 0.000 0.963 189 E HN 0.423 nan 8.360 nan 0.000 0.432 190 R N 3.754 124.206 120.500 -0.079 0.000 2.296 190 R HA 0.068 4.407 4.340 -0.000 0.000 0.323 190 R C 0.969 177.186 176.300 -0.138 0.000 1.067 190 R CA 0.243 56.295 56.100 -0.079 0.000 0.946 190 R CB 0.384 30.658 30.300 -0.043 0.000 0.991 190 R HN 0.749 nan 8.270 nan 0.000 0.448 191 T N 2.333 116.808 114.554 -0.130 0.000 2.624 191 T HA -0.327 4.022 4.350 -0.000 0.000 0.266 191 T C 1.781 176.408 174.700 -0.121 0.000 1.050 191 T CA 1.750 63.763 62.100 -0.146 0.000 1.163 191 T CB -0.197 68.621 68.868 -0.083 0.000 0.861 191 T HN 0.601 nan 8.240 nan 0.000 0.443 192 R N 0.914 121.372 120.500 -0.070 0.000 2.113 192 R HA -0.196 4.144 4.340 -0.000 0.000 0.244 192 R C 2.346 178.617 176.300 -0.048 0.000 1.142 192 R CA 2.095 58.170 56.100 -0.041 0.000 0.953 192 R CB -0.198 30.090 30.300 -0.020 0.000 0.860 192 R HN 0.576 nan 8.270 nan 0.000 0.438 193 E N -1.440 118.718 120.200 -0.070 0.000 2.158 193 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 193 E C 1.894 178.435 176.600 -0.099 0.000 0.982 193 E CA 0.746 57.113 56.400 -0.055 0.000 0.823 193 E CB -0.088 29.595 29.700 -0.029 0.000 0.766 193 E HN 0.583 nan 8.360 nan 0.000 0.468 194 G N 2.019 110.660 108.800 -0.265 0.000 2.446 194 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.217 194 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.217 194 G C 1.435 176.283 174.900 -0.088 0.000 1.168 194 G CA 0.812 45.619 45.100 -0.487 0.000 0.771 194 G HN 0.210 nan 8.290 nan 0.000 0.551 195 N N 0.846 119.513 118.700 -0.056 0.000 2.149 195 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 195 N C 1.588 177.161 175.510 0.105 0.000 1.019 195 N CA 1.573 54.664 53.050 0.070 0.000 0.857 195 N CB -0.229 38.279 38.487 0.034 0.000 0.997 195 N HN 0.163 nan 8.380 nan 0.000 0.426 196 D N 0.992 121.422 120.400 0.050 0.000 2.078 196 D HA -0.148 4.492 4.640 -0.000 0.000 0.193 196 D C 2.057 178.390 176.300 0.055 0.000 0.990 196 D CA 0.549 54.579 54.000 0.050 0.000 0.827 196 D CB -0.570 40.248 40.800 0.030 0.000 0.975 196 D HN 0.200 nan 8.370 nan 0.000 0.451 197 L N 0.239 121.488 121.223 0.043 0.000 2.043 197 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 197 L C 2.298 179.205 176.870 0.062 0.000 1.075 197 L CA 1.626 56.470 54.840 0.006 0.000 0.752 197 L CB -0.846 41.194 42.059 -0.032 0.000 0.891 197 L HN 0.082 nan 8.230 nan 0.000 0.432 198 Y N 0.467 120.780 120.300 0.021 0.000 2.097 198 Y HA -0.287 4.263 4.550 -0.000 0.000 0.282 198 Y C 2.927 178.827 175.900 -0.000 0.000 1.152 198 Y CA 2.352 60.467 58.100 0.025 0.000 1.136 198 Y CB -0.476 38.036 38.460 0.087 0.000 0.975 198 Y HN 0.242 nan 8.280 nan 0.000 0.498 199 R N 0.406 120.899 120.500 -0.012 0.000 2.081 199 R HA -0.223 4.117 4.340 -0.000 0.000 0.235 199 R C 2.298 178.549 176.300 -0.081 0.000 1.131 199 R CA 1.980 58.020 56.100 -0.099 0.000 0.960 199 R CB -0.434 29.869 30.300 0.004 0.000 0.856 199 R HN 0.559 nan 8.270 nan 0.000 0.436 200 E N -0.010 120.164 120.200 -0.043 0.000 2.150 200 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 200 E C 2.015 178.551 176.600 -0.107 0.000 0.985 200 E CA 1.150 57.516 56.400 -0.058 0.000 0.814 200 E CB 0.033 29.685 29.700 -0.079 0.000 0.752 200 E HN 0.385 nan 8.360 nan 0.000 0.466 201 M N 0.079 119.604 119.600 -0.124 0.000 2.229 201 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 201 M C 2.082 178.300 176.300 -0.136 0.000 1.063 201 M CA 1.271 56.490 55.300 -0.135 0.000 1.114 201 M CB 0.061 32.587 32.600 -0.123 0.000 1.387 201 M HN -0.029 nan 8.290 nan 0.000 0.420 202 K N 0.124 120.415 120.400 -0.182 0.000 2.057 202 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 202 K C 1.743 178.286 176.600 -0.094 0.000 1.050 202 K CA 1.252 57.438 56.287 -0.169 0.000 0.935 202 K CB -0.103 32.246 32.500 -0.251 0.000 0.715 202 K HN 0.391 nan 8.250 nan 0.000 0.439 203 E N -0.175 119.987 120.200 -0.064 0.000 2.204 203 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 203 E C 1.763 178.365 176.600 0.004 0.000 0.989 203 E CA 1.038 57.440 56.400 0.003 0.000 0.824 203 E CB 0.104 29.856 29.700 0.087 0.000 0.756 203 E HN 0.135 nan 8.360 nan 0.000 0.477 204 T N -1.909 112.617 114.554 -0.047 0.000 3.067 204 T HA 0.115 4.465 4.350 -0.000 0.000 0.257 204 T C 1.258 175.927 174.700 -0.053 0.000 1.105 204 T CA 1.028 63.091 62.100 -0.062 0.000 1.104 204 T CB 0.123 68.917 68.868 -0.122 0.000 0.925 204 T HN 0.414 nan 8.240 nan 0.000 0.498 205 G N 0.172 108.940 108.800 -0.055 0.000 2.254 205 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.225 205 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.225 205 G C 1.288 176.157 174.900 -0.052 0.000 1.003 205 G CA 0.635 45.706 45.100 -0.047 0.000 0.622 205 G HN 1.041 nan 8.290 nan 0.000 0.507 206 V N -0.548 119.327 119.914 -0.065 0.000 2.594 206 V HA 0.344 4.464 4.120 -0.000 0.000 0.253 206 V C 1.405 177.469 176.094 -0.049 0.000 1.069 206 V CA 1.597 63.863 62.300 -0.056 0.000 1.082 206 V CB -0.317 31.462 31.823 -0.073 0.000 0.680 206 V HN 0.503 nan 8.190 nan 0.000 0.469 207 I N 1.812 122.343 120.570 -0.065 0.000 2.392 207 I HA 0.467 4.637 4.170 -0.000 0.000 0.295 207 I C -0.333 175.746 176.117 -0.064 0.000 0.985 207 I CA -0.251 61.014 61.300 -0.058 0.000 1.221 207 I CB 1.482 39.441 38.000 -0.068 0.000 1.366 207 I HN 0.147 nan 8.210 nan 0.000 0.467 208 N N 6.563 125.236 118.700 -0.045 0.000 2.640 208 N HA 0.278 5.018 4.740 -0.000 0.000 0.262 208 N C 0.427 175.920 175.510 -0.029 0.000 1.174 208 N CA -0.316 52.710 53.050 -0.040 0.000 0.791 208 N CB 1.070 39.540 38.487 -0.028 0.000 1.279 208 N HN 0.581 nan 8.380 nan 0.000 0.535 209 L N 1.194 122.397 121.223 -0.034 0.000 2.127 209 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 209 L C 0.848 177.713 176.870 -0.008 0.000 1.089 209 L CA 1.447 56.279 54.840 -0.013 0.000 0.757 209 L CB 0.029 42.081 42.059 -0.013 0.000 0.899 209 L HN 0.456 nan 8.230 nan 0.000 0.434 210 E N -0.722 119.471 120.200 -0.012 0.000 2.474 210 E HA 0.112 4.462 4.350 -0.000 0.000 0.194 210 E C 1.057 177.653 176.600 -0.006 0.000 1.041 210 E CA 0.481 56.877 56.400 -0.007 0.000 0.874 210 E CB 0.217 29.912 29.700 -0.008 0.000 0.914 210 E HN 0.414 nan 8.360 nan 0.000 0.498 211 G N -0.047 108.748 108.800 -0.008 0.000 3.356 211 G HA2 0.576 4.535 3.960 -0.000 0.000 0.178 211 G HA3 0.576 4.535 3.960 -0.000 0.000 0.178 211 G C -0.896 174.001 174.900 -0.005 0.000 1.130 211 G CA -0.011 45.087 45.100 -0.005 0.000 0.800 211 G HN 0.122 nan 8.290 nan 0.000 0.669 212 E N -0.280 119.919 120.200 -0.002 0.000 2.187 212 E HA 0.700 5.049 4.350 -0.000 0.000 0.268 212 E C -0.671 175.924 176.600 -0.009 0.000 0.896 212 E CA -0.787 55.612 56.400 -0.001 0.000 0.766 212 E CB 1.536 31.251 29.700 0.025 0.000 1.142 212 E HN 0.516 nan 8.360 nan 0.000 0.408 213 S N 1.153 116.828 115.700 -0.042 0.000 2.565 213 S HA 0.405 4.875 4.470 -0.000 0.000 0.290 213 S C 0.545 175.103 174.600 -0.070 0.000 1.150 213 S CA -0.720 57.450 58.200 -0.049 0.000 1.058 213 S CB 1.423 64.590 63.200 -0.055 0.000 1.032 213 S HN 0.555 nan 8.310 nan 0.000 0.510 214 K N 0.469 120.866 120.400 -0.004 0.000 2.367 214 K HA 0.312 4.632 4.320 -0.000 0.000 0.194 214 K C -0.240 176.400 176.600 0.067 0.000 1.027 214 K CA 0.211 56.557 56.287 0.099 0.000 1.075 214 K CB 0.713 33.272 32.500 0.100 0.000 0.845 214 K HN 0.308 nan 8.250 nan 0.000 0.529 215 V N 0.257 120.166 119.914 -0.007 0.000 3.012 215 V HA 0.631 4.751 4.120 -0.000 0.000 0.307 215 V C -1.912 174.194 176.094 0.020 0.000 1.166 215 V CA -0.858 61.465 62.300 0.039 0.000 0.974 215 V CB 1.999 33.852 31.823 0.050 0.000 1.040 215 V HN 0.060 nan 8.190 nan 0.000 0.428 216 A N 6.700 129.566 122.820 0.076 0.000 2.303 216 A HA 0.841 5.161 4.320 -0.000 0.000 0.320 216 A C -0.992 176.610 177.584 0.029 0.000 1.192 216 A CA -0.579 51.489 52.037 0.052 0.000 0.821 216 A CB 0.800 19.865 19.000 0.108 0.000 1.188 216 A HN 0.851 nan 8.150 nan 0.000 0.492 217 L N 3.183 124.361 121.223 -0.076 0.000 2.282 217 L HA 0.540 4.879 4.340 -0.000 0.000 0.288 217 L C -0.823 175.846 176.870 -0.336 0.000 1.033 217 L CA -0.749 53.946 54.840 -0.242 0.000 0.807 217 L CB 1.444 43.241 42.059 -0.437 0.000 1.209 217 L HN 0.401 nan 8.230 nan 0.000 0.423 218 V N 3.764 123.492 119.914 -0.309 0.000 2.444 218 V HA 0.472 4.592 4.120 -0.000 0.000 0.294 218 V C -0.702 175.295 176.094 -0.162 0.000 1.022 218 V CA -0.437 61.738 62.300 -0.208 0.000 0.850 218 V CB 1.815 33.595 31.823 -0.071 0.000 0.992 218 V HN 0.350 nan 8.190 nan 0.000 0.426 219 F N 2.233 122.218 119.950 0.058 0.000 2.507 219 F HA 0.761 5.288 4.527 -0.000 0.000 0.325 219 F C 0.721 176.540 175.800 0.031 0.000 1.116 219 F CA -1.390 56.645 58.000 0.059 0.000 0.930 219 F CB 2.282 41.313 39.000 0.052 0.000 1.146 219 F HN 0.517 nan 8.300 nan 0.000 0.447 220 G N 3.359 112.307 108.800 0.247 0.000 2.955 220 G HA2 0.460 4.420 3.960 -0.000 0.000 0.336 220 G HA3 0.460 4.420 3.960 -0.000 0.000 0.336 220 G C -0.636 174.318 174.900 0.090 0.000 1.264 220 G CA -0.474 44.703 45.100 0.129 0.000 1.096 220 G HN 0.552 nan 8.290 nan 0.000 0.486 221 Q N 1.266 121.102 119.800 0.060 0.000 2.454 221 Q HA 0.214 4.554 4.340 -0.000 0.000 0.247 221 Q C 1.645 177.647 176.000 0.004 0.000 1.028 221 Q CA -0.164 55.642 55.803 0.006 0.000 0.910 221 Q CB 1.378 30.105 28.738 -0.019 0.000 1.276 221 Q HN 0.549 nan 8.270 nan 0.000 0.489 222 M N 1.517 121.110 119.600 -0.011 0.000 2.279 222 M HA -0.153 4.327 4.480 -0.000 0.000 0.264 222 M C 1.020 177.315 176.300 -0.009 0.000 1.062 222 M CA 0.966 56.261 55.300 -0.009 0.000 1.099 222 M CB -0.099 32.493 32.600 -0.013 0.000 1.394 222 M HN 0.633 nan 8.290 nan 0.000 0.426 223 N N 0.374 119.069 118.700 -0.009 0.000 2.362 223 N HA 0.009 4.749 4.740 -0.000 0.000 0.204 223 N C -0.565 174.944 175.510 -0.003 0.000 1.166 223 N CA 0.227 53.273 53.050 -0.007 0.000 0.831 223 N CB -0.191 38.292 38.487 -0.008 0.000 1.008 223 N HN 0.386 nan 8.380 nan 0.000 0.472 224 E N 0.893 121.093 120.200 0.001 0.000 2.227 224 E HA 0.400 4.750 4.350 -0.000 0.000 0.268 224 E C -2.510 174.090 176.600 -0.000 0.000 0.990 224 E CA -2.242 54.160 56.400 0.005 0.000 0.856 224 E CB 1.110 30.819 29.700 0.014 0.000 1.159 224 E HN 0.151 nan 8.360 nan 0.000 0.401 225 P HA 0.039 nan 4.420 nan 0.000 0.272 225 P C -2.185 175.109 177.300 -0.011 0.000 1.223 225 P CA -1.238 61.859 63.100 -0.006 0.000 0.784 225 P CB 0.005 31.704 31.700 -0.002 0.000 0.923 226 P HA -0.262 nan 4.420 nan 0.000 0.217 226 P C 1.632 178.914 177.300 -0.030 0.000 1.158 226 P CA 2.312 65.391 63.100 -0.037 0.000 0.887 226 P CB -0.652 31.019 31.700 -0.049 0.000 0.792 227 G N 0.321 109.111 108.800 -0.017 0.000 2.599 227 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.219 227 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.219 227 G C 1.748 176.652 174.900 0.007 0.000 1.193 227 G CA 1.795 46.894 45.100 -0.003 0.000 0.778 227 G HN 0.413 nan 8.290 nan 0.000 0.589 228 A N 0.494 123.321 122.820 0.011 0.000 1.883 228 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 228 A C 2.475 180.073 177.584 0.024 0.000 1.186 228 A CA 2.044 54.093 52.037 0.020 0.000 0.624 228 A CB -0.470 18.543 19.000 0.021 0.000 0.822 228 A HN 0.381 nan 8.150 nan 0.000 0.444 229 R N -0.673 119.834 120.500 0.012 0.000 2.096 229 R HA -0.023 4.317 4.340 -0.000 0.000 0.235 229 R C 2.426 178.740 176.300 0.023 0.000 1.127 229 R CA 1.185 57.296 56.100 0.018 0.000 0.968 229 R CB -0.417 29.881 30.300 -0.003 0.000 0.861 229 R HN 0.537 nan 8.270 nan 0.000 0.440 230 A N 0.856 123.663 122.820 -0.021 0.000 1.898 230 A HA -0.122 4.197 4.320 -0.000 0.000 0.216 230 A C 1.862 179.490 177.584 0.072 0.000 1.181 230 A CA 1.149 53.147 52.037 -0.065 0.000 0.620 230 A CB -0.178 18.744 19.000 -0.130 0.000 0.819 230 A HN 0.071 nan 8.150 nan 0.000 0.442 231 R N 0.041 120.574 120.500 0.056 0.000 2.153 231 R HA -0.051 4.289 4.340 -0.000 0.000 0.218 231 R C 2.106 178.428 176.300 0.037 0.000 1.072 231 R CA 1.372 57.499 56.100 0.045 0.000 0.990 231 R CB -1.608 28.704 30.300 0.020 0.000 0.889 231 R HN 0.562 nan 8.270 nan 0.000 0.452 232 V N 0.148 120.095 119.914 0.054 0.000 2.324 232 V HA -0.247 3.873 4.120 -0.000 0.000 0.250 232 V C 2.492 178.594 176.094 0.012 0.000 1.060 232 V CA 1.831 64.152 62.300 0.035 0.000 1.042 232 V CB -1.520 30.338 31.823 0.058 0.000 0.650 232 V HN 0.210 nan 8.190 nan 0.000 0.450 233 A N 1.385 124.226 122.820 0.034 0.000 1.896 233 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 233 A C 2.268 179.803 177.584 -0.082 0.000 1.206 233 A CA 2.713 54.716 52.037 -0.056 0.000 0.647 233 A CB -0.886 18.027 19.000 -0.145 0.000 0.828 233 A HN 0.609 nan 8.150 nan 0.000 0.455 234 L N -0.963 120.222 121.223 -0.063 0.000 2.131 234 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 234 L C 2.729 179.538 176.870 -0.102 0.000 1.092 234 L CA 1.581 56.356 54.840 -0.109 0.000 0.759 234 L CB -1.191 40.759 42.059 -0.180 0.000 0.903 234 L HN 0.377 nan 8.230 nan 0.000 0.435 235 T N 0.146 114.654 114.554 -0.076 0.000 2.643 235 T HA -0.151 4.199 4.350 -0.000 0.000 0.264 235 T C 1.946 176.614 174.700 -0.054 0.000 1.045 235 T CA 1.600 63.663 62.100 -0.062 0.000 1.155 235 T CB -0.720 68.124 68.868 -0.039 0.000 0.863 235 T HN 0.553 nan 8.240 nan 0.000 0.420 236 G N 1.418 110.191 108.800 -0.045 0.000 2.469 236 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 236 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 236 G C 1.554 176.437 174.900 -0.029 0.000 1.150 236 G CA 1.120 46.200 45.100 -0.033 0.000 0.763 236 G HN 0.450 nan 8.290 nan 0.000 0.561 237 L N 0.660 121.849 121.223 -0.056 0.000 2.141 237 L HA 0.069 4.409 4.340 -0.000 0.000 0.209 237 L C 2.789 179.637 176.870 -0.036 0.000 1.094 237 L CA 2.446 57.253 54.840 -0.054 0.000 0.763 237 L CB -0.775 41.231 42.059 -0.088 0.000 0.908 237 L HN 0.143 nan 8.230 nan 0.000 0.437 238 T N 0.046 114.572 114.554 -0.047 0.000 2.746 238 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 238 T C 1.956 176.631 174.700 -0.042 0.000 1.039 238 T CA 1.983 64.058 62.100 -0.042 0.000 1.142 238 T CB -0.307 68.527 68.868 -0.057 0.000 0.866 238 T HN 0.332 nan 8.240 nan 0.000 0.444 239 I N 1.309 121.843 120.570 -0.059 0.000 2.226 239 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 239 I C 2.917 178.993 176.117 -0.068 0.000 1.100 239 I CA 1.121 62.356 61.300 -0.108 0.000 1.374 239 I CB -0.475 37.487 38.000 -0.064 0.000 1.057 239 I HN 0.196 nan 8.210 nan 0.000 0.413 240 A N 0.504 123.361 122.820 0.061 0.000 1.902 240 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 240 A C 2.183 179.841 177.584 0.124 0.000 1.181 240 A CA 1.653 53.793 52.037 0.172 0.000 0.623 240 A CB -0.571 18.496 19.000 0.112 0.000 0.818 240 A HN 0.450 nan 8.150 nan 0.000 0.443 241 E N -1.729 118.499 120.200 0.046 0.000 2.110 241 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 241 E C 1.814 178.427 176.600 0.022 0.000 0.988 241 E CA 1.382 57.798 56.400 0.028 0.000 0.804 241 E CB -0.310 29.396 29.700 0.010 0.000 0.745 241 E HN 0.802 nan 8.360 nan 0.000 0.458 242 Y N 0.442 120.661 120.300 -0.134 0.000 2.181 242 Y HA -0.256 4.294 4.550 -0.000 0.000 0.288 242 Y C 1.762 177.595 175.900 -0.113 0.000 1.146 242 Y CA 1.489 59.480 58.100 -0.181 0.000 1.164 242 Y CB -0.204 38.070 38.460 -0.311 0.000 0.982 242 Y HN -0.057 nan 8.280 nan 0.000 0.515 243 F N 0.168 120.173 119.950 0.092 0.000 2.216 243 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 243 F C 2.696 178.457 175.800 -0.065 0.000 1.085 243 F CA 1.744 59.767 58.000 0.039 0.000 1.326 243 F CB -0.823 38.282 39.000 0.174 0.000 1.027 243 F HN 0.007 nan 8.300 nan 0.000 0.497 244 R N 0.495 121.058 120.500 0.105 0.000 2.055 244 R HA -0.116 4.224 4.340 -0.000 0.000 0.228 244 R C 1.780 178.045 176.300 -0.057 0.000 1.143 244 R CA 1.816 57.926 56.100 0.017 0.000 0.945 244 R CB -0.363 29.944 30.300 0.011 0.000 0.841 244 R HN 0.108 nan 8.270 nan 0.000 0.429 245 D N -0.188 120.153 120.400 -0.098 0.000 2.219 245 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 245 D C 1.354 177.544 176.300 -0.183 0.000 0.970 245 D CA 1.177 55.108 54.000 -0.116 0.000 0.851 245 D CB 0.177 40.925 40.800 -0.086 0.000 0.943 245 D HN 0.277 nan 8.370 nan 0.000 0.488 246 E N -0.213 119.779 120.200 -0.347 0.000 2.364 246 E HA 0.078 4.428 4.350 -0.000 0.000 0.203 246 E C 1.300 177.748 176.600 -0.252 0.000 0.888 246 E CA 0.231 56.392 56.400 -0.398 0.000 0.989 246 E CB 0.618 29.808 29.700 -0.849 0.000 0.985 246 E HN 0.110 nan 8.360 nan 0.000 0.499 247 E N -0.966 119.119 120.200 -0.192 0.000 2.489 247 E HA 0.168 4.518 4.350 -0.000 0.000 0.204 247 E C 0.553 177.139 176.600 -0.024 0.000 1.006 247 E CA 0.412 56.791 56.400 -0.035 0.000 0.936 247 E CB 0.983 30.756 29.700 0.122 0.000 1.002 247 E HN 0.280 nan 8.360 nan 0.000 0.488 248 G N 2.491 111.266 108.800 -0.043 0.000 2.153 248 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.252 248 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.252 248 G C 0.144 175.022 174.900 -0.037 0.000 0.994 248 G CA 0.463 45.539 45.100 -0.040 0.000 0.698 248 G HN 0.250 nan 8.290 nan 0.000 0.521 249 Q N -0.100 119.686 119.800 -0.022 0.000 2.317 249 Q HA 0.450 4.790 4.340 -0.000 0.000 0.229 249 Q C -0.633 175.339 176.000 -0.048 0.000 0.984 249 Q CA -0.497 55.274 55.803 -0.054 0.000 0.911 249 Q CB 0.765 29.450 28.738 -0.087 0.000 1.217 249 Q HN 0.212 nan 8.270 nan 0.000 0.501 250 D N 1.218 121.573 120.400 -0.075 0.000 2.347 250 D HA 0.248 4.888 4.640 -0.000 0.000 0.235 250 D C -1.086 175.178 176.300 -0.060 0.000 1.149 250 D CA -0.040 53.910 54.000 -0.084 0.000 0.850 250 D CB 1.141 41.847 40.800 -0.157 0.000 1.061 250 D HN 0.093 nan 8.370 nan 0.000 0.487 251 V N 3.404 123.303 119.914 -0.025 0.000 2.513 251 V HA 0.345 4.465 4.120 -0.000 0.000 0.299 251 V C 0.455 176.542 176.094 -0.011 0.000 1.035 251 V CA -0.886 61.423 62.300 0.016 0.000 0.889 251 V CB 2.024 33.911 31.823 0.106 0.000 0.988 251 V HN 0.341 nan 8.190 nan 0.000 0.440 252 L N 4.954 126.175 121.223 -0.003 0.000 2.276 252 L HA 0.493 4.833 4.340 -0.000 0.000 0.286 252 L C -0.579 176.228 176.870 -0.105 0.000 1.061 252 L CA -0.409 54.363 54.840 -0.113 0.000 0.807 252 L CB 1.360 43.360 42.059 -0.098 0.000 1.177 252 L HN 0.490 nan 8.230 nan 0.000 0.429 253 L N 4.356 125.434 121.223 -0.242 0.000 2.319 253 L HA 0.523 4.863 4.340 -0.000 0.000 0.281 253 L C -1.058 175.624 176.870 -0.313 0.000 1.005 253 L CA 0.135 54.880 54.840 -0.158 0.000 0.828 253 L CB 0.987 42.983 42.059 -0.105 0.000 1.227 253 L HN 0.173 nan 8.230 nan 0.000 0.415 254 F N 5.814 125.742 119.950 -0.038 0.000 2.408 254 F HA 0.548 5.074 4.527 -0.000 0.000 0.344 254 F C 0.134 175.753 175.800 -0.303 0.000 1.112 254 F CA -0.314 57.618 58.000 -0.114 0.000 1.096 254 F CB 1.207 40.209 39.000 0.003 0.000 1.129 254 F HN 0.258 nan 8.300 nan 0.000 0.486 255 I N 3.167 123.678 120.570 -0.099 0.000 2.411 255 I HA 0.222 4.392 4.170 -0.000 0.000 0.284 255 I C -1.085 174.953 176.117 -0.131 0.000 1.012 255 I CA -0.405 60.788 61.300 -0.177 0.000 1.119 255 I CB 1.372 39.264 38.000 -0.179 0.000 1.261 255 I HN 0.444 nan 8.210 nan 0.000 0.448 256 D N 6.727 127.014 120.400 -0.190 0.000 2.462 256 D HA 0.253 4.893 4.640 -0.000 0.000 0.245 256 D C -1.317 174.990 176.300 0.012 0.000 1.122 256 D CA -0.231 53.742 54.000 -0.045 0.000 0.864 256 D CB 1.244 42.057 40.800 0.021 0.000 1.098 256 D HN 0.373 nan 8.370 nan 0.000 0.541 257 N N 4.011 122.748 118.700 0.061 0.000 2.238 257 N HA 0.163 4.903 4.740 -0.000 0.000 0.302 257 N C 0.622 176.200 175.510 0.113 0.000 1.072 257 N CA -0.569 52.534 53.050 0.088 0.000 0.792 257 N CB 1.705 40.278 38.487 0.142 0.000 1.425 257 N HN 0.279 nan 8.380 nan 0.000 0.478 258 I N 2.975 123.598 120.570 0.089 0.000 2.493 258 I HA -0.039 4.131 4.170 -0.000 0.000 0.254 258 I C 1.635 177.896 176.117 0.239 0.000 1.160 258 I CA 0.947 62.303 61.300 0.092 0.000 1.445 258 I CB -0.551 37.439 38.000 -0.016 0.000 1.086 258 I HN 0.634 nan 8.210 nan 0.000 0.433 259 F N 1.212 121.236 119.950 0.123 0.000 2.293 259 F HA -0.118 4.409 4.527 0.000 0.000 0.300 259 F C 2.340 178.230 175.800 0.150 0.000 1.086 259 F CA 1.382 59.484 58.000 0.169 0.000 1.375 259 F CB -0.276 38.856 39.000 0.221 0.000 1.045 259 F HN -0.050 nan 8.300 nan 0.000 0.516 260 R N -0.955 119.606 120.500 0.101 0.000 2.240 260 R HA -0.073 4.267 4.340 -0.000 0.000 0.203 260 R C 2.087 178.371 176.300 -0.026 0.000 1.011 260 R CA 0.961 57.038 56.100 -0.038 0.000 1.007 260 R CB -0.602 29.738 30.300 0.067 0.000 0.911 260 R HN 0.424 nan 8.270 nan 0.000 0.468 261 F N 1.673 121.571 119.950 -0.086 0.000 2.051 261 F HA -0.197 4.330 4.527 -0.000 0.000 0.296 261 F C 2.064 177.805 175.800 -0.099 0.000 1.122 261 F CA 1.766 59.721 58.000 -0.077 0.000 1.201 261 F CB -0.579 38.386 39.000 -0.057 0.000 0.978 261 F HN -0.182 nan 8.300 nan 0.000 0.472 262 T N 0.755 115.219 114.554 -0.150 0.000 2.624 262 T HA -0.264 4.086 4.350 -0.000 0.000 0.268 262 T C 1.859 176.395 174.700 -0.273 0.000 1.041 262 T CA 1.851 63.815 62.100 -0.227 0.000 1.159 262 T CB -0.378 68.460 68.868 -0.049 0.000 0.863 262 T HN 0.312 nan 8.240 nan 0.000 0.434 263 Q N 0.360 119.925 119.800 -0.391 0.000 2.119 263 Q HA 0.058 4.398 4.340 -0.000 0.000 0.201 263 Q C 2.702 178.558 176.000 -0.239 0.000 0.972 263 Q CA 1.409 57.001 55.803 -0.353 0.000 0.847 263 Q CB -0.691 27.761 28.738 -0.477 0.000 0.903 263 Q HN 0.598 nan 8.270 nan 0.000 0.433 264 A N 0.632 123.310 122.820 -0.237 0.000 1.858 264 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 264 A C 2.351 179.815 177.584 -0.200 0.000 1.190 264 A CA 1.876 53.801 52.037 -0.186 0.000 0.617 264 A CB -1.165 17.738 19.000 -0.161 0.000 0.827 264 A HN 0.448 nan 8.150 nan 0.000 0.443 265 G N -1.111 107.512 108.800 -0.295 0.000 2.432 265 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.219 265 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.219 265 G C 1.874 176.686 174.900 -0.147 0.000 1.135 265 G CA 1.463 46.415 45.100 -0.246 0.000 0.767 265 G HN 0.543 nan 8.290 nan 0.000 0.550 266 S N 0.247 115.868 115.700 -0.132 0.000 2.383 266 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 266 S C 2.273 176.815 174.600 -0.096 0.000 1.030 266 S CA 1.904 60.050 58.200 -0.090 0.000 1.002 266 S CB -0.205 62.925 63.200 -0.117 0.000 0.829 266 S HN 0.619 nan 8.310 nan 0.000 0.467 267 E N -0.188 119.947 120.200 -0.107 0.000 2.112 267 E HA -0.021 4.329 4.350 -0.000 0.000 0.190 267 E C 2.133 178.694 176.600 -0.065 0.000 0.979 267 E CA 0.919 57.269 56.400 -0.083 0.000 0.814 267 E CB -0.134 29.517 29.700 -0.082 0.000 0.762 267 E HN 0.293 nan 8.360 nan 0.000 0.460 268 V N 0.815 120.687 119.914 -0.070 0.000 2.261 268 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 268 V C 2.415 178.484 176.094 -0.041 0.000 1.047 268 V CA 1.988 64.257 62.300 -0.051 0.000 1.015 268 V CB -0.411 31.379 31.823 -0.055 0.000 0.642 268 V HN 0.277 nan 8.190 nan 0.000 0.446 269 S N -0.482 115.189 115.700 -0.047 0.000 2.392 269 S HA -0.281 4.188 4.470 -0.000 0.000 0.232 269 S C 2.012 176.595 174.600 -0.027 0.000 1.041 269 S CA 1.967 60.147 58.200 -0.033 0.000 1.026 269 S CB -0.333 62.849 63.200 -0.030 0.000 0.845 269 S HN 0.658 nan 8.310 nan 0.000 0.465 270 A N 0.655 123.454 122.820 -0.035 0.000 1.930 270 A HA 0.208 4.528 4.320 -0.000 0.000 0.215 270 A C 2.097 179.667 177.584 -0.023 0.000 1.176 270 A CA 0.942 52.960 52.037 -0.030 0.000 0.632 270 A CB -0.529 18.447 19.000 -0.040 0.000 0.819 270 A HN 0.560 nan 8.150 nan 0.000 0.445 271 L N -0.565 120.643 121.223 -0.024 0.000 2.291 271 L HA -0.023 4.317 4.340 -0.000 0.000 0.214 271 L C 1.818 178.682 176.870 -0.010 0.000 1.120 271 L CA 0.500 55.331 54.840 -0.016 0.000 0.799 271 L CB -0.296 41.754 42.059 -0.016 0.000 0.925 271 L HN 0.323 nan 8.230 nan 0.000 0.446 272 L N -0.397 120.820 121.223 -0.011 0.000 2.599 272 L HA 0.132 4.472 4.340 -0.000 0.000 0.230 272 L C 1.480 178.348 176.870 -0.002 0.000 1.141 272 L CA 0.565 55.403 54.840 -0.004 0.000 0.877 272 L CB -0.319 41.736 42.059 -0.006 0.000 1.009 272 L HN 0.483 nan 8.230 nan 0.000 0.447 273 G N 0.466 109.263 108.800 -0.005 0.000 2.176 273 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.253 273 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.253 273 G C 0.311 175.209 174.900 -0.003 0.000 0.979 273 G CA -0.349 44.749 45.100 -0.003 0.000 0.641 273 G HN 0.377 nan 8.290 nan 0.000 0.530 274 R N -0.134 120.364 120.500 -0.005 0.000 2.442 274 R HA 0.421 4.761 4.340 -0.000 0.000 0.291 274 R C 0.350 176.649 176.300 -0.001 0.000 1.069 274 R CA -0.606 55.493 56.100 -0.002 0.000 1.022 274 R CB 0.597 30.895 30.300 -0.003 0.000 0.976 274 R HN 0.168 nan 8.270 nan 0.000 0.443 275 I N 5.786 126.357 120.570 0.002 0.000 2.742 275 I HA -0.026 4.144 4.170 -0.000 0.000 0.287 275 I C -1.760 174.362 176.117 0.008 0.000 1.186 275 I CA -1.562 59.740 61.300 0.004 0.000 1.417 275 I CB -0.111 37.893 38.000 0.006 0.000 1.377 275 I HN 0.415 nan 8.210 nan 0.000 0.556 276 P HA 0.060 nan 4.420 nan 0.000 0.268 276 P C -0.054 177.264 177.300 0.029 0.000 1.208 276 P CA 0.004 63.111 63.100 0.011 0.000 0.777 276 P CB 0.679 32.377 31.700 -0.004 0.000 0.875 277 S N 1.400 117.132 115.700 0.053 0.000 2.448 277 S HA 0.646 5.116 4.470 -0.000 0.000 0.271 277 S C -0.139 174.511 174.600 0.084 0.000 1.145 277 S CA -0.268 57.972 58.200 0.068 0.000 1.022 277 S CB -0.128 63.121 63.200 0.081 0.000 1.202 277 S HN 0.504 nan 8.310 nan 0.000 0.479 278 A N 0.274 123.155 122.820 0.101 0.000 2.531 278 A HA 0.414 4.734 4.320 -0.000 0.000 0.236 278 A C 1.132 178.826 177.584 0.183 0.000 1.062 278 A CA 0.393 52.498 52.037 0.113 0.000 0.760 278 A CB -0.776 18.284 19.000 0.100 0.000 0.995 278 A HN 1.617 nan 8.150 nan 0.000 0.501 279 V N 0.962 120.961 119.914 0.140 0.000 1.963 279 V HA -0.343 3.777 4.120 -0.000 0.000 0.089 279 V C 1.808 177.911 176.094 0.015 0.000 0.495 279 V CA 1.921 64.308 62.300 0.146 0.000 1.412 279 V CB -2.371 29.636 31.823 0.308 0.000 1.645 279 V HN 2.945 nan 8.190 nan 0.000 0.889 280 G N -2.687 106.117 108.800 0.007 0.000 2.157 280 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.239 280 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.239 280 G C -0.200 174.597 174.900 -0.173 0.000 0.982 280 G CA 0.149 45.191 45.100 -0.098 0.000 0.650 280 G HN 0.861 nan 8.290 nan 0.000 0.527 281 Y N 1.821 122.130 120.300 0.016 0.000 2.314 281 Y HA 0.434 4.983 4.550 -0.000 0.000 0.334 281 Y C 1.398 177.293 175.900 -0.009 0.000 1.266 281 Y CA -0.061 58.040 58.100 0.000 0.000 1.391 281 Y CB 0.481 38.951 38.460 0.017 0.000 1.306 281 Y HN 0.382 nan 8.280 nan 0.000 0.558 282 Q N 3.050 122.933 119.800 0.138 0.000 2.395 282 Q HA 0.048 4.388 4.340 -0.000 0.000 0.271 282 Q C -2.300 173.742 176.000 0.070 0.000 1.026 282 Q CA -1.566 54.273 55.803 0.061 0.000 0.900 282 Q CB 0.713 29.463 28.738 0.020 0.000 1.266 282 Q HN 0.388 nan 8.270 nan 0.000 0.430 283 P HA -0.101 nan 4.420 nan 0.000 0.222 283 P C 0.852 178.173 177.300 0.035 0.000 1.147 283 P CA 1.486 64.610 63.100 0.040 0.000 0.790 283 P CB -0.128 31.588 31.700 0.026 0.000 0.780 284 T N -3.559 111.012 114.554 0.028 0.000 3.235 284 T HA 0.128 4.478 4.350 -0.000 0.000 0.251 284 T C 1.393 176.112 174.700 0.031 0.000 1.060 284 T CA -0.327 61.788 62.100 0.025 0.000 0.949 284 T CB -0.892 67.983 68.868 0.013 0.000 1.020 284 T HN -0.130 nan 8.240 nan 0.000 0.564 285 L N 2.013 123.260 121.223 0.040 0.000 2.010 285 L HA -0.088 4.252 4.340 -0.000 0.000 0.219 285 L C 2.640 179.541 176.870 0.052 0.000 1.077 285 L CA 2.415 57.277 54.840 0.037 0.000 0.773 285 L CB -1.204 40.872 42.059 0.028 0.000 0.892 285 L HN 0.357 nan 8.230 nan 0.000 0.436 286 A N -1.538 121.317 122.820 0.059 0.000 1.898 286 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 286 A C 2.274 179.922 177.584 0.106 0.000 1.181 286 A CA 2.203 54.294 52.037 0.091 0.000 0.620 286 A CB -1.272 17.775 19.000 0.077 0.000 0.819 286 A HN 0.660 nan 8.150 nan 0.000 0.442 287 T N -1.803 112.798 114.554 0.078 0.000 2.857 287 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 287 T C 1.330 176.081 174.700 0.086 0.000 1.048 287 T CA 1.280 63.425 62.100 0.076 0.000 1.139 287 T CB -0.503 68.397 68.868 0.053 0.000 0.874 287 T HN 0.320 nan 8.240 nan 0.000 0.455 288 D N 0.954 121.402 120.400 0.080 0.000 2.158 288 D HA -0.079 4.560 4.640 -0.000 0.000 0.197 288 D C 1.856 178.291 176.300 0.226 0.000 0.995 288 D CA 1.067 55.129 54.000 0.104 0.000 0.846 288 D CB -0.346 40.457 40.800 0.005 0.000 0.941 288 D HN 0.328 nan 8.370 nan 0.000 0.456 289 M N 0.041 119.753 119.600 0.186 0.000 2.193 289 M HA 0.128 4.608 4.480 -0.000 0.000 0.265 289 M C 1.967 178.242 176.300 -0.042 0.000 1.071 289 M CA 1.562 56.955 55.300 0.155 0.000 1.140 289 M CB -0.547 32.122 32.600 0.115 0.000 1.369 289 M HN -0.037 nan 8.290 nan 0.000 0.423 290 G N 0.053 108.874 108.800 0.035 0.000 2.432 290 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.219 290 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.219 290 G C 1.486 176.396 174.900 0.016 0.000 1.135 290 G CA 0.874 45.999 45.100 0.042 0.000 0.767 290 G HN 0.485 nan 8.290 nan 0.000 0.550 291 L N -0.418 120.835 121.223 0.051 0.000 2.291 291 L HA 0.082 4.422 4.340 -0.000 0.000 0.214 291 L C 2.530 179.412 176.870 0.019 0.000 1.120 291 L CA 0.240 55.114 54.840 0.057 0.000 0.799 291 L CB -0.127 41.992 42.059 0.100 0.000 0.925 291 L HN 0.280 nan 8.230 nan 0.000 0.446 292 L N -1.198 120.009 121.223 -0.027 0.000 2.130 292 L HA -0.066 4.274 4.340 -0.000 0.000 0.200 292 L C 2.521 179.271 176.870 -0.201 0.000 1.075 292 L CA 1.493 56.237 54.840 -0.161 0.000 0.768 292 L CB -0.517 41.294 42.059 -0.413 0.000 0.933 292 L HN 0.083 nan 8.230 nan 0.000 0.451 293 Q N 0.182 119.826 119.800 -0.261 0.000 2.079 293 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 293 Q C 2.007 177.936 176.000 -0.119 0.000 0.974 293 Q CA 1.376 57.014 55.803 -0.274 0.000 0.840 293 Q CB -0.419 27.983 28.738 -0.561 0.000 0.898 293 Q HN 0.609 nan 8.270 nan 0.000 0.430 294 E N 0.601 120.769 120.200 -0.053 0.000 2.463 294 E HA -0.128 4.222 4.350 -0.000 0.000 0.201 294 E C 1.657 178.251 176.600 -0.010 0.000 1.045 294 E CA 0.412 56.819 56.400 0.012 0.000 0.872 294 E CB -0.005 29.724 29.700 0.048 0.000 0.797 294 E HN 0.282 nan 8.360 nan 0.000 0.538 295 R N -0.067 120.410 120.500 -0.039 0.000 2.246 295 R HA 0.170 4.509 4.340 -0.000 0.000 0.199 295 R C 0.717 176.989 176.300 -0.047 0.000 0.984 295 R CA 0.078 56.156 56.100 -0.037 0.000 1.015 295 R CB 0.352 30.625 30.300 -0.044 0.000 0.930 295 R HN 0.025 nan 8.270 nan 0.000 0.475 296 I N 1.265 121.796 120.570 -0.065 0.000 2.281 296 I HA 0.103 4.273 4.170 -0.000 0.000 0.293 296 I C 0.163 176.249 176.117 -0.052 0.000 1.085 296 I CA 0.200 61.458 61.300 -0.070 0.000 1.257 296 I CB 1.294 39.232 38.000 -0.104 0.000 1.430 296 I HN -0.062 nan 8.210 nan 0.000 0.489 297 T N 2.928 117.455 114.554 -0.046 0.000 2.693 297 T HA 0.344 4.694 4.350 -0.000 0.000 0.304 297 T C -0.873 173.799 174.700 -0.046 0.000 1.471 297 T CA -0.478 61.597 62.100 -0.041 0.000 0.993 297 T CB 1.612 70.461 68.868 -0.031 0.000 1.554 297 T HN 0.333 nan 8.240 nan 0.000 0.496 298 T N 2.569 117.093 114.554 -0.050 0.000 2.744 298 T HA 0.573 4.923 4.350 -0.000 0.000 0.291 298 T C 0.659 175.324 174.700 -0.058 0.000 0.957 298 T CA -0.417 61.650 62.100 -0.055 0.000 1.002 298 T CB 0.917 69.750 68.868 -0.059 0.000 0.919 298 T HN 0.856 nan 8.240 nan 0.000 0.468 299 T N 0.738 115.260 114.554 -0.053 0.000 2.902 299 T HA 0.396 4.745 4.350 -0.000 0.000 0.287 299 T C 1.203 175.870 174.700 -0.056 0.000 1.048 299 T CA -0.774 61.293 62.100 -0.054 0.000 0.941 299 T CB 0.751 69.592 68.868 -0.045 0.000 1.432 299 T HN 0.415 nan 8.240 nan 0.000 0.586 300 K N -0.178 120.190 120.400 -0.052 0.000 2.366 300 K HA 0.140 4.460 4.320 -0.000 0.000 0.198 300 K C 2.086 178.659 176.600 -0.044 0.000 1.044 300 K CA 0.236 56.494 56.287 -0.048 0.000 0.973 300 K CB 0.060 32.533 32.500 -0.044 0.000 0.767 300 K HN 0.207 nan 8.250 nan 0.000 0.475 301 K N 0.172 120.546 120.400 -0.044 0.000 2.262 301 K HA 0.112 4.432 4.320 -0.000 0.000 0.200 301 K C 0.858 177.431 176.600 -0.045 0.000 1.049 301 K CA 0.683 56.944 56.287 -0.044 0.000 0.979 301 K CB 0.845 33.318 32.500 -0.046 0.000 0.773 301 K HN 0.284 nan 8.250 nan 0.000 0.474 302 G N -0.753 108.019 108.800 -0.046 0.000 2.392 302 G HA2 0.220 4.180 3.960 -0.000 0.000 0.260 302 G HA3 0.220 4.180 3.960 -0.000 0.000 0.260 302 G C -1.589 173.281 174.900 -0.050 0.000 1.226 302 G CA -0.001 45.069 45.100 -0.049 0.000 0.913 302 G HN 0.139 nan 8.290 nan 0.000 0.483 303 S N -1.538 114.132 115.700 -0.049 0.000 2.537 303 S HA 0.687 5.157 4.470 -0.000 0.000 0.270 303 S C -1.359 173.219 174.600 -0.037 0.000 1.142 303 S CA -0.631 57.539 58.200 -0.049 0.000 0.870 303 S CB 1.793 64.954 63.200 -0.066 0.000 1.112 303 S HN 1.284 nan 8.310 nan 0.000 0.466 304 V N 2.458 122.351 119.914 -0.035 0.000 2.398 304 V HA 0.614 4.734 4.120 -0.000 0.000 0.286 304 V C -0.109 175.946 176.094 -0.066 0.000 1.026 304 V CA -0.205 62.074 62.300 -0.034 0.000 0.868 304 V CB 1.429 33.238 31.823 -0.024 0.000 0.982 304 V HN 1.050 nan 8.190 nan 0.000 0.443 305 T N 3.393 117.897 114.554 -0.085 0.000 2.829 305 T HA 0.482 4.832 4.350 -0.000 0.000 0.280 305 T C -0.284 174.311 174.700 -0.175 0.000 0.999 305 T CA -0.432 61.602 62.100 -0.110 0.000 0.983 305 T CB 1.626 70.445 68.868 -0.082 0.000 0.968 305 T HN 0.607 nan 8.240 nan 0.000 0.446 306 S N 1.912 117.489 115.700 -0.204 0.000 2.519 306 S HA 0.599 5.069 4.470 -0.000 0.000 0.309 306 S C -0.726 173.691 174.600 -0.305 0.000 1.100 306 S CA -0.612 57.427 58.200 -0.268 0.000 1.059 306 S CB 0.689 63.760 63.200 -0.216 0.000 1.008 306 S HN 0.474 nan 8.310 nan 0.000 0.478 307 V N 6.318 125.994 119.914 -0.398 0.000 2.333 307 V HA 0.442 4.561 4.120 -0.000 0.000 0.274 307 V C -0.335 175.699 176.094 -0.100 0.000 1.028 307 V CA -0.433 61.721 62.300 -0.244 0.000 0.851 307 V CB 1.145 32.880 31.823 -0.145 0.000 1.000 307 V HN 0.846 nan 8.190 nan 0.000 0.456 308 Q N 3.471 123.202 119.800 -0.115 0.000 2.331 308 Q HA 0.738 5.078 4.340 -0.000 0.000 0.267 308 Q C -0.374 175.557 176.000 -0.115 0.000 1.006 308 Q CA -0.628 55.106 55.803 -0.116 0.000 0.818 308 Q CB 2.639 31.273 28.738 -0.173 0.000 1.276 308 Q HN 0.797 nan 8.270 nan 0.000 0.450 309 A N 2.363 125.147 122.820 -0.060 0.000 2.328 309 A HA 0.529 4.848 4.320 -0.000 0.000 0.284 309 A C -0.305 177.199 177.584 -0.132 0.000 1.160 309 A CA -0.432 51.557 52.037 -0.080 0.000 0.818 309 A CB 0.578 19.593 19.000 0.025 0.000 1.087 309 A HN 0.500 nan 8.150 nan 0.000 0.504 310 V N 3.634 123.358 119.914 -0.316 0.000 2.350 310 V HA 0.218 4.338 4.120 -0.000 0.000 0.285 310 V C -0.658 175.332 176.094 -0.172 0.000 1.014 310 V CA -0.461 61.648 62.300 -0.317 0.000 0.831 310 V CB 0.755 32.153 31.823 -0.708 0.000 1.000 310 V HN 0.807 nan 8.190 nan 0.000 0.433 311 Y N 4.977 125.217 120.300 -0.100 0.000 2.304 311 Y HA 0.585 5.135 4.550 0.000 0.000 0.328 311 Y C -0.118 175.673 175.900 -0.182 0.000 1.123 311 Y CA -0.378 57.627 58.100 -0.158 0.000 1.218 311 Y CB 1.580 39.876 38.460 -0.273 0.000 1.207 311 Y HN 0.397 nan 8.280 nan 0.000 0.495 312 V N 8.898 128.317 119.914 -0.825 0.000 2.313 312 V HA 0.310 4.430 4.120 -0.000 0.000 0.278 312 V C -2.263 173.372 176.094 -0.765 0.000 1.017 312 V CA -2.129 59.855 62.300 -0.526 0.000 0.823 312 V CB 0.851 32.588 31.823 -0.144 0.000 1.010 312 V HN 0.713 nan 8.190 nan 0.000 0.443 313 P HA 0.175 nan 4.420 nan 0.000 0.267 313 P C 0.679 177.948 177.300 -0.052 0.000 1.205 313 P CA 0.703 63.752 63.100 -0.084 0.000 0.765 313 P CB 0.854 32.633 31.700 0.132 0.000 0.828 314 A N 3.784 126.597 122.820 -0.011 0.000 2.910 314 A HA -0.275 4.045 4.320 -0.000 0.000 0.267 314 A C 1.006 178.564 177.584 -0.042 0.000 1.310 314 A CA 1.320 53.357 52.037 0.000 0.000 0.934 314 A CB -2.550 16.470 19.000 0.034 0.000 1.057 314 A HN 0.609 nan 8.150 nan 0.000 0.742 315 D N -1.570 118.763 120.400 -0.113 0.000 2.983 315 D HA -0.206 4.433 4.640 -0.000 0.000 0.225 315 D C -0.168 176.097 176.300 -0.059 0.000 1.174 315 D CA 1.995 55.934 54.000 -0.103 0.000 0.831 315 D CB -1.185 39.572 40.800 -0.072 0.000 1.104 315 D HN 0.977 nan 8.370 nan 0.000 0.421 316 D N 0.325 120.702 120.400 -0.040 0.000 2.380 316 D HA 0.232 4.872 4.640 -0.000 0.000 0.230 316 D C 1.307 177.602 176.300 -0.010 0.000 1.154 316 D CA -0.370 53.621 54.000 -0.016 0.000 0.859 316 D CB 0.360 41.167 40.800 0.013 0.000 1.045 316 D HN 0.109 nan 8.370 nan 0.000 0.495 317 L N 2.769 123.970 121.223 -0.036 0.000 2.552 317 L HA 0.003 4.343 4.340 -0.000 0.000 0.227 317 L C 2.008 178.835 176.870 -0.071 0.000 1.146 317 L CA 0.905 55.711 54.840 -0.056 0.000 0.858 317 L CB -0.145 41.821 42.059 -0.155 0.000 0.969 317 L HN 0.510 nan 8.230 nan 0.000 0.451 318 T N -5.270 109.259 114.554 -0.042 0.000 3.086 318 T HA -0.015 4.335 4.350 -0.000 0.000 0.250 318 T C 0.721 175.427 174.700 0.009 0.000 1.074 318 T CA -0.471 61.610 62.100 -0.031 0.000 0.988 318 T CB -0.194 68.656 68.868 -0.030 0.000 0.988 318 T HN 0.133 nan 8.240 nan 0.000 0.530 319 D N 2.757 123.180 120.400 0.039 0.000 2.493 319 D HA 0.046 4.685 4.640 -0.000 0.000 0.240 319 D C -1.565 174.747 176.300 0.020 0.000 1.142 319 D CA -1.495 52.553 54.000 0.081 0.000 0.872 319 D CB 1.589 42.477 40.800 0.146 0.000 1.173 319 D HN 0.007 nan 8.370 nan 0.000 0.467 320 P HA -0.162 nan 4.420 nan 0.000 0.219 320 P C 0.655 177.760 177.300 -0.326 0.000 1.144 320 P CA 1.492 64.467 63.100 -0.209 0.000 0.806 320 P CB 0.227 31.753 31.700 -0.289 0.000 0.771 321 A N 0.035 122.638 122.820 -0.362 0.000 1.843 321 A HA -0.024 4.296 4.320 -0.000 0.000 0.213 321 A C -0.144 177.507 177.584 0.111 0.000 1.202 321 A CA 1.428 53.384 52.037 -0.136 0.000 0.607 321 A CB -2.016 17.082 19.000 0.162 0.000 0.847 321 A HN 0.174 nan 8.150 nan 0.000 0.445 322 P HA -0.165 nan 4.420 nan 0.000 0.215 322 P C 1.667 179.173 177.300 0.342 0.000 1.153 322 P CA 2.148 65.435 63.100 0.312 0.000 0.853 322 P CB -0.240 31.664 31.700 0.340 0.000 0.788 323 A N -0.166 122.759 122.820 0.175 0.000 1.892 323 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 323 A C 2.330 180.004 177.584 0.151 0.000 1.188 323 A CA 2.772 54.881 52.037 0.120 0.000 0.631 323 A CB -1.969 17.047 19.000 0.027 0.000 0.822 323 A HN 0.216 nan 8.150 nan 0.000 0.447 324 T N -0.284 114.337 114.554 0.111 0.000 2.821 324 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 324 T C 1.993 176.828 174.700 0.225 0.000 1.046 324 T CA 1.843 64.022 62.100 0.132 0.000 1.139 324 T CB -0.562 68.355 68.868 0.082 0.000 0.871 324 T HN 0.592 nan 8.240 nan 0.000 0.454 325 T N 1.641 116.323 114.554 0.213 0.000 2.708 325 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 325 T C 1.596 176.411 174.700 0.191 0.000 1.037 325 T CA 0.933 63.140 62.100 0.178 0.000 1.146 325 T CB -0.638 68.291 68.868 0.101 0.000 0.865 325 T HN 0.271 nan 8.240 nan 0.000 0.435 326 F N 1.740 121.756 119.950 0.110 0.000 2.250 326 F HA -0.071 4.457 4.527 0.000 0.000 0.301 326 F C 2.569 178.401 175.800 0.054 0.000 1.077 326 F CA 0.747 58.802 58.000 0.092 0.000 1.348 326 F CB -0.434 38.612 39.000 0.076 0.000 1.040 326 F HN 0.140 nan 8.300 nan 0.000 0.509 327 A N -1.331 121.616 122.820 0.212 0.000 2.076 327 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 327 A C 1.713 179.228 177.584 -0.113 0.000 1.160 327 A CA 1.731 53.778 52.037 0.016 0.000 0.653 327 A CB -0.787 18.166 19.000 -0.078 0.000 0.801 327 A HN 0.509 nan 8.150 nan 0.000 0.455 328 H N -1.638 117.452 119.070 0.034 0.000 2.705 328 H HA 0.319 4.875 4.556 -0.000 0.000 0.269 328 H C -0.156 175.147 175.328 -0.042 0.000 0.998 328 H CA -0.180 55.863 56.048 -0.009 0.000 1.193 328 H CB 0.223 29.967 29.762 -0.030 0.000 1.485 328 H HN 0.302 nan 8.280 nan 0.000 0.521 329 L N 1.632 122.884 121.223 0.049 0.000 2.305 329 L HA 0.083 4.423 4.340 -0.000 0.000 0.281 329 L C 0.876 177.739 176.870 -0.012 0.000 1.085 329 L CA -0.089 54.728 54.840 -0.039 0.000 0.813 329 L CB 1.263 43.225 42.059 -0.161 0.000 1.157 329 L HN 0.083 nan 8.230 nan 0.000 0.436 330 D N 1.923 122.300 120.400 -0.039 0.000 2.338 330 D HA 0.191 4.830 4.640 -0.000 0.000 0.208 330 D C 0.393 176.683 176.300 -0.016 0.000 0.997 330 D CA 0.544 54.532 54.000 -0.022 0.000 0.880 330 D CB 1.140 41.920 40.800 -0.034 0.000 0.980 330 D HN 0.584 nan 8.370 nan 0.000 0.509 331 A N 0.299 123.087 122.820 -0.053 0.000 2.594 331 A HA 0.584 4.904 4.320 -0.000 0.000 0.291 331 A C -0.707 176.861 177.584 -0.027 0.000 1.105 331 A CA -0.564 51.459 52.037 -0.025 0.000 0.694 331 A CB 1.690 20.677 19.000 -0.021 0.000 1.291 331 A HN -0.011 nan 8.150 nan 0.000 0.410 332 T N -1.362 113.221 114.554 0.049 0.000 2.876 332 T HA 0.717 5.067 4.350 -0.000 0.000 0.289 332 T C -0.622 174.162 174.700 0.139 0.000 1.014 332 T CA -0.455 61.720 62.100 0.125 0.000 0.986 332 T CB 1.526 70.496 68.868 0.171 0.000 1.021 332 T HN 0.592 nan 8.240 nan 0.000 0.458 333 T N 2.737 117.392 114.554 0.168 0.000 2.772 333 T HA 0.504 4.854 4.350 -0.000 0.000 0.288 333 T C -0.326 174.444 174.700 0.115 0.000 0.994 333 T CA -0.528 61.657 62.100 0.143 0.000 0.951 333 T CB 0.946 69.906 68.868 0.152 0.000 0.933 333 T HN 0.628 nan 8.240 nan 0.000 0.447 334 V N 5.874 125.828 119.914 0.067 0.000 2.333 334 V HA 0.364 4.483 4.120 -0.000 0.000 0.274 334 V C -0.009 176.086 176.094 0.001 0.000 1.028 334 V CA -0.701 61.637 62.300 0.062 0.000 0.851 334 V CB 0.792 32.608 31.823 -0.011 0.000 1.000 334 V HN 0.750 nan 8.190 nan 0.000 0.456 335 L N 4.486 125.708 121.223 -0.001 0.000 2.276 335 L HA 0.577 4.917 4.340 -0.000 0.000 0.286 335 L C 0.347 177.216 176.870 -0.001 0.000 1.061 335 L CA 0.211 55.031 54.840 -0.035 0.000 0.807 335 L CB 1.660 43.685 42.059 -0.056 0.000 1.177 335 L HN 0.666 nan 8.230 nan 0.000 0.429 336 S N 2.864 118.553 115.700 -0.017 0.000 2.532 336 S HA 0.393 4.862 4.470 -0.000 0.000 0.299 336 S C 0.958 175.542 174.600 -0.027 0.000 1.105 336 S CA -1.000 57.191 58.200 -0.014 0.000 1.018 336 S CB 1.352 64.540 63.200 -0.020 0.000 1.021 336 S HN 0.663 nan 8.310 nan 0.000 0.483 337 R N 3.640 124.132 120.500 -0.013 0.000 2.096 337 R HA -0.018 4.322 4.340 -0.000 0.000 0.235 337 R C 2.041 178.321 176.300 -0.032 0.000 1.127 337 R CA 1.639 57.727 56.100 -0.019 0.000 0.968 337 R CB -1.620 28.681 30.300 0.003 0.000 0.861 337 R HN 0.716 nan 8.270 nan 0.000 0.440 338 G N 2.277 111.061 108.800 -0.026 0.000 2.462 338 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.220 338 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.220 338 G C 1.489 176.368 174.900 -0.035 0.000 1.121 338 G CA 0.529 45.612 45.100 -0.028 0.000 0.758 338 G HN 0.196 nan 8.290 nan 0.000 0.559 339 I N 0.588 121.131 120.570 -0.045 0.000 2.480 339 I HA -0.013 4.157 4.170 -0.000 0.000 0.251 339 I C 2.752 178.806 176.117 -0.104 0.000 1.124 339 I CA 1.001 62.269 61.300 -0.053 0.000 1.444 339 I CB -0.863 37.108 38.000 -0.047 0.000 1.098 339 I HN 0.224 nan 8.210 nan 0.000 0.428 340 S N 0.948 116.561 115.700 -0.144 0.000 2.355 340 S HA -0.167 4.303 4.470 -0.000 0.000 0.222 340 S C 1.721 176.228 174.600 -0.156 0.000 1.031 340 S CA 1.285 59.332 58.200 -0.255 0.000 0.993 340 S CB -0.121 62.953 63.200 -0.211 0.000 0.859 340 S HN 0.416 nan 8.310 nan 0.000 0.453 341 E N 0.159 120.316 120.200 -0.072 0.000 2.515 341 E HA 0.044 4.394 4.350 -0.000 0.000 0.201 341 E C 0.801 177.393 176.600 -0.013 0.000 1.071 341 E CA 0.322 56.705 56.400 -0.028 0.000 0.880 341 E CB -0.011 29.682 29.700 -0.013 0.000 0.828 341 E HN 0.485 nan 8.360 nan 0.000 0.540 342 L N -0.517 120.695 121.223 -0.018 0.000 2.741 342 L HA 0.251 4.590 4.340 -0.000 0.000 0.237 342 L C 0.991 177.888 176.870 0.046 0.000 1.178 342 L CA -0.147 54.703 54.840 0.016 0.000 0.973 342 L CB 0.358 42.434 42.059 0.029 0.000 1.255 342 L HN 0.133 nan 8.230 nan 0.000 0.498 343 G N 1.292 110.102 108.800 0.016 0.000 2.273 343 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.280 343 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.280 343 G C 0.090 175.084 174.900 0.157 0.000 1.047 343 G CA -0.105 45.051 45.100 0.093 0.000 0.869 343 G HN 0.247 nan 8.290 nan 0.000 0.502 344 I N 0.214 120.755 120.570 -0.049 0.000 2.330 344 I HA 0.429 4.599 4.170 -0.000 0.000 0.289 344 I C -0.504 175.485 176.117 -0.213 0.000 1.001 344 I CA -0.876 60.410 61.300 -0.024 0.000 1.193 344 I CB 1.054 39.066 38.000 0.020 0.000 1.345 344 I HN 0.032 nan 8.210 nan 0.000 0.461 345 Y N 7.524 127.787 120.300 -0.063 0.000 2.331 345 Y HA 0.419 4.969 4.550 0.000 0.000 0.334 345 Y C -2.091 173.643 175.900 -0.275 0.000 0.960 345 Y CA -2.421 55.591 58.100 -0.147 0.000 1.130 345 Y CB 2.005 40.360 38.460 -0.176 0.000 1.164 345 Y HN 0.394 nan 8.280 nan 0.000 0.458 346 P HA 0.163 nan 4.420 nan 0.000 0.274 346 P C -0.400 176.938 177.300 0.063 0.000 1.237 346 P CA -0.353 62.826 63.100 0.132 0.000 0.793 346 P CB 1.239 33.159 31.700 0.367 0.000 0.977 347 A N 2.292 125.125 122.820 0.022 0.000 2.543 347 A HA 0.220 4.540 4.320 -0.000 0.000 0.258 347 A C 0.546 178.106 177.584 -0.040 0.000 1.391 347 A CA -0.274 51.717 52.037 -0.077 0.000 1.066 347 A CB -1.264 17.662 19.000 -0.125 0.000 0.972 347 A HN 0.351 nan 8.150 nan 0.000 0.560 348 V N 1.031 120.940 119.914 -0.007 0.000 2.637 348 V HA 0.043 4.163 4.120 -0.000 0.000 0.296 348 V C 0.313 176.407 176.094 0.000 0.000 1.046 348 V CA -0.281 62.013 62.300 -0.011 0.000 1.066 348 V CB 1.074 32.924 31.823 0.045 0.000 0.968 348 V HN 0.538 nan 8.190 nan 0.000 0.483 349 D N 7.073 127.469 120.400 -0.006 0.000 2.359 349 D HA 0.259 4.899 4.640 -0.000 0.000 0.230 349 D C -1.385 174.917 176.300 0.003 0.000 1.118 349 D CA -2.036 51.961 54.000 -0.005 0.000 0.844 349 D CB 2.146 42.936 40.800 -0.018 0.000 1.059 349 D HN 0.257 nan 8.370 nan 0.000 0.493 350 P HA -0.049 nan 4.420 nan 0.000 0.222 350 P C 1.620 178.919 177.300 -0.002 0.000 1.153 350 P CA 0.488 63.591 63.100 0.005 0.000 0.798 350 P CB 0.708 32.415 31.700 0.011 0.000 0.796 351 L N -0.769 120.451 121.223 -0.005 0.000 2.249 351 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 351 L C 1.945 178.803 176.870 -0.020 0.000 1.090 351 L CA 1.280 56.112 54.840 -0.012 0.000 0.802 351 L CB -0.732 41.318 42.059 -0.015 0.000 0.947 351 L HN -0.102 nan 8.230 nan 0.000 0.453 352 D N -0.436 119.948 120.400 -0.026 0.000 2.137 352 D HA -0.051 4.588 4.640 -0.000 0.000 0.202 352 D C 0.813 177.092 176.300 -0.036 0.000 0.970 352 D CA 0.553 54.526 54.000 -0.045 0.000 0.837 352 D CB 0.221 40.986 40.800 -0.059 0.000 0.981 352 D HN 0.010 nan 8.370 nan 0.000 0.475 353 S N 0.691 116.387 115.700 -0.007 0.000 2.510 353 S HA 0.262 4.732 4.470 -0.000 0.000 0.279 353 S C 0.010 174.630 174.600 0.034 0.000 1.284 353 S CA -0.017 58.197 58.200 0.025 0.000 1.059 353 S CB 0.779 64.013 63.200 0.056 0.000 0.901 353 S HN 0.054 nan 8.310 nan 0.000 0.491 354 K N 1.396 121.824 120.400 0.045 0.000 2.426 354 K HA 0.606 4.926 4.320 -0.000 0.000 0.251 354 K C -0.878 175.760 176.600 0.064 0.000 0.941 354 K CA -0.546 55.770 56.287 0.048 0.000 0.808 354 K CB 2.080 34.602 32.500 0.037 0.000 1.265 354 K HN 0.493 nan 8.250 nan 0.000 0.432 355 S N 0.756 116.492 115.700 0.061 0.000 2.541 355 S HA 0.322 4.792 4.470 -0.000 0.000 0.280 355 S C 0.282 174.912 174.600 0.049 0.000 1.112 355 S CA -0.671 57.565 58.200 0.060 0.000 0.925 355 S CB 1.457 64.703 63.200 0.076 0.000 1.067 355 S HN 0.681 nan 8.310 nan 0.000 0.479 356 R N 2.347 122.871 120.500 0.039 0.000 2.193 356 R HA 0.113 4.452 4.340 -0.000 0.000 0.229 356 R C 1.305 177.619 176.300 0.022 0.000 1.110 356 R CA 1.271 57.390 56.100 0.030 0.000 0.988 356 R CB -0.196 30.116 30.300 0.021 0.000 0.871 356 R HN 0.630 nan 8.270 nan 0.000 0.458 357 L N 0.096 121.330 121.223 0.018 0.000 2.529 357 L HA 0.064 4.404 4.340 -0.000 0.000 0.223 357 L C 0.471 177.333 176.870 -0.014 0.000 1.113 357 L CA -0.146 54.692 54.840 -0.003 0.000 0.861 357 L CB -0.100 41.954 42.059 -0.009 0.000 1.012 357 L HN 0.136 nan 8.230 nan 0.000 0.461 358 L N 2.160 123.393 121.223 0.018 0.000 2.652 358 L HA 0.086 4.426 4.340 -0.000 0.000 0.284 358 L C -0.459 176.521 176.870 0.182 0.000 1.204 358 L CA 0.991 55.866 54.840 0.059 0.000 1.105 358 L CB -0.626 41.473 42.059 0.067 0.000 1.393 358 L HN 0.081 nan 8.230 nan 0.000 0.452 359 D N 2.299 122.774 120.400 0.124 0.000 2.878 359 D HA 0.207 4.847 4.640 -0.000 0.000 0.211 359 D C 0.572 176.811 176.300 -0.100 0.000 1.271 359 D CA 0.210 54.199 54.000 -0.017 0.000 0.845 359 D CB 1.976 42.755 40.800 -0.036 0.000 1.679 359 D HN 0.349 nan 8.370 nan 0.000 0.536 360 A N 3.113 125.754 122.820 -0.299 0.000 1.903 360 A HA -0.167 4.152 4.320 -0.000 0.000 0.219 360 A C 2.037 179.563 177.584 -0.096 0.000 1.191 360 A CA 2.729 54.643 52.037 -0.206 0.000 0.638 360 A CB -0.632 18.198 19.000 -0.284 0.000 0.823 360 A HN 0.671 nan 8.150 nan 0.000 0.451 361 A N -1.331 121.431 122.820 -0.097 0.000 2.015 361 A HA 0.146 4.466 4.320 -0.000 0.000 0.219 361 A C 2.110 179.667 177.584 -0.044 0.000 1.163 361 A CA 1.778 53.779 52.037 -0.061 0.000 0.646 361 A CB -0.443 18.522 19.000 -0.059 0.000 0.806 361 A HN 0.447 nan 8.150 nan 0.000 0.448 362 V N -0.732 119.153 119.914 -0.049 0.000 2.672 362 V HA -0.061 4.059 4.120 -0.000 0.000 0.242 362 V C 2.200 178.266 176.094 -0.046 0.000 1.059 362 V CA 1.521 63.795 62.300 -0.043 0.000 1.081 362 V CB 0.262 32.058 31.823 -0.046 0.000 0.752 362 V HN 0.517 nan 8.190 nan 0.000 0.472 363 V N -1.919 117.955 119.914 -0.067 0.000 3.643 363 V HA 0.744 4.864 4.120 -0.000 0.000 0.280 363 V C 0.842 176.954 176.094 0.030 0.000 1.351 363 V CA 0.177 62.425 62.300 -0.086 0.000 1.073 363 V CB -0.603 30.984 31.823 -0.393 0.000 0.863 363 V HN 0.789 nan 8.190 nan 0.000 0.436 364 G N 0.721 109.538 108.800 0.030 0.000 2.730 364 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.686 364 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.686 364 G C -0.086 174.874 174.900 0.100 0.000 1.343 364 G CA 0.330 45.465 45.100 0.059 0.000 0.826 364 G HN 0.460 nan 8.290 nan 0.000 0.582 365 Q N -0.256 119.594 119.800 0.083 0.000 2.123 365 Q HA 0.023 4.363 4.340 -0.000 0.000 0.199 365 Q C 2.412 178.508 176.000 0.159 0.000 0.966 365 Q CA 2.334 58.201 55.803 0.106 0.000 0.845 365 Q CB -0.174 28.601 28.738 0.062 0.000 0.907 365 Q HN 0.685 nan 8.270 nan 0.000 0.439 366 E N -0.141 120.139 120.200 0.133 0.000 2.012 366 E HA -0.285 4.065 4.350 -0.000 0.000 0.211 366 E C 1.841 178.549 176.600 0.180 0.000 1.029 366 E CA 1.609 58.088 56.400 0.131 0.000 0.867 366 E CB -0.749 29.012 29.700 0.102 0.000 0.790 366 E HN 0.507 nan 8.360 nan 0.000 0.482 367 H N -0.036 119.083 119.070 0.081 0.000 2.297 367 H HA -0.241 4.314 4.556 -0.000 0.000 0.289 367 H C 2.110 177.484 175.328 0.078 0.000 1.105 367 H CA 2.347 58.435 56.048 0.066 0.000 1.219 367 H CB -0.758 29.041 29.762 0.062 0.000 1.351 367 H HN 0.317 nan 8.280 nan 0.000 0.481 368 Y N 1.462 121.879 120.300 0.194 0.000 2.114 368 Y HA -0.201 4.349 4.550 -0.000 0.000 0.284 368 Y C 2.282 178.237 175.900 0.092 0.000 1.143 368 Y CA 2.135 60.298 58.100 0.105 0.000 1.135 368 Y CB -0.362 38.121 38.460 0.040 0.000 0.980 368 Y HN 0.188 nan 8.280 nan 0.000 0.499 369 D N -0.376 120.135 120.400 0.186 0.000 2.104 369 D HA -0.195 4.445 4.640 -0.000 0.000 0.194 369 D C 2.414 178.712 176.300 -0.002 0.000 0.994 369 D CA 1.824 55.874 54.000 0.083 0.000 0.830 369 D CB -0.605 40.279 40.800 0.140 0.000 0.959 369 D HN 0.312 nan 8.370 nan 0.000 0.452 370 V N 1.300 121.233 119.914 0.033 0.000 2.255 370 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 370 V C 2.496 178.574 176.094 -0.026 0.000 1.051 370 V CA 2.044 64.359 62.300 0.024 0.000 1.018 370 V CB -0.946 30.895 31.823 0.029 0.000 0.641 370 V HN 0.225 nan 8.190 nan 0.000 0.445 371 A N -0.275 122.506 122.820 -0.065 0.000 1.930 371 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 371 A C 2.430 179.917 177.584 -0.162 0.000 1.175 371 A CA 2.013 53.984 52.037 -0.109 0.000 0.627 371 A CB -0.582 18.385 19.000 -0.055 0.000 0.815 371 A HN 0.539 nan 8.150 nan 0.000 0.443 372 S N -0.152 115.384 115.700 -0.273 0.000 2.402 372 S HA -0.011 4.459 4.470 -0.000 0.000 0.229 372 S C 2.321 176.850 174.600 -0.118 0.000 1.021 372 S CA 1.620 59.653 58.200 -0.278 0.000 0.974 372 S CB -0.302 62.627 63.200 -0.451 0.000 0.800 372 S HN 0.826 nan 8.310 nan 0.000 0.484 373 K N 1.493 121.850 120.400 -0.070 0.000 2.007 373 K HA 0.125 4.445 4.320 -0.000 0.000 0.206 373 K C 2.236 178.841 176.600 0.008 0.000 1.047 373 K CA 1.366 57.645 56.287 -0.012 0.000 0.937 373 K CB -1.557 30.953 32.500 0.015 0.000 0.718 373 K HN 0.223 nan 8.250 nan 0.000 0.438 374 V N 1.906 121.830 119.914 0.018 0.000 2.250 374 V HA -0.443 3.677 4.120 -0.000 0.000 0.253 374 V C 2.827 178.934 176.094 0.022 0.000 1.065 374 V CA 2.659 64.985 62.300 0.044 0.000 1.039 374 V CB -0.760 31.076 31.823 0.021 0.000 0.647 374 V HN 0.692 nan 8.190 nan 0.000 0.446 375 Q N -0.515 119.274 119.800 -0.017 0.000 2.077 375 Q HA -0.270 4.070 4.340 -0.000 0.000 0.206 375 Q C 2.527 178.529 176.000 0.003 0.000 0.989 375 Q CA 2.566 58.360 55.803 -0.016 0.000 0.853 375 Q CB -0.421 28.288 28.738 -0.047 0.000 0.907 375 Q HN 0.870 nan 8.270 nan 0.000 0.418 376 E N 0.433 120.632 120.200 -0.002 0.000 2.051 376 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 376 E C 1.941 178.560 176.600 0.032 0.000 0.991 376 E CA 1.724 58.131 56.400 0.011 0.000 0.799 376 E CB -1.328 28.376 29.700 0.007 0.000 0.748 376 E HN 0.444 nan 8.360 nan 0.000 0.449 377 T N 0.937 115.515 114.554 0.038 0.000 2.595 377 T HA -0.121 4.229 4.350 -0.000 0.000 0.264 377 T C 2.153 176.908 174.700 0.093 0.000 1.058 377 T CA 1.465 63.597 62.100 0.054 0.000 1.166 377 T CB -0.447 68.450 68.868 0.048 0.000 0.863 377 T HN 0.317 nan 8.240 nan 0.000 0.415 378 L N 0.817 122.100 121.223 0.101 0.000 2.261 378 L HA -0.163 4.177 4.340 -0.000 0.000 0.216 378 L C 2.818 179.755 176.870 0.111 0.000 1.114 378 L CA 0.997 55.926 54.840 0.148 0.000 0.777 378 L CB -0.370 41.755 42.059 0.110 0.000 0.910 378 L HN 0.223 nan 8.230 nan 0.000 0.440 379 Q N -0.272 119.568 119.800 0.067 0.000 2.049 379 Q HA -0.149 4.191 4.340 -0.000 0.000 0.198 379 Q C 2.297 178.320 176.000 0.038 0.000 0.971 379 Q CA 2.356 58.180 55.803 0.035 0.000 0.833 379 Q CB -0.318 28.432 28.738 0.020 0.000 0.896 379 Q HN 0.574 nan 8.270 nan 0.000 0.434 380 T N -1.736 112.855 114.554 0.061 0.000 2.857 380 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 380 T C 1.700 176.464 174.700 0.107 0.000 1.048 380 T CA 1.158 63.297 62.100 0.065 0.000 1.139 380 T CB -0.860 68.044 68.868 0.060 0.000 0.874 380 T HN 0.322 nan 8.240 nan 0.000 0.455 381 Y N 3.560 123.862 120.300 0.002 0.000 2.193 381 Y HA -0.127 4.423 4.550 -0.000 0.000 0.285 381 Y C 2.726 178.627 175.900 0.002 0.000 1.166 381 Y CA 1.648 59.750 58.100 0.003 0.000 1.181 381 Y CB -1.129 37.334 38.460 0.005 0.000 0.976 381 Y HN 0.372 nan 8.280 nan 0.000 0.520 382 K N 0.135 120.445 120.400 -0.151 0.000 2.026 382 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 382 K C 2.390 178.905 176.600 -0.141 0.000 1.048 382 K CA 1.908 58.063 56.287 -0.219 0.000 0.929 382 K CB -1.627 30.802 32.500 -0.118 0.000 0.713 382 K HN 0.615 nan 8.250 nan 0.000 0.439 383 S N 0.569 116.232 115.700 -0.062 0.000 2.453 383 S HA 0.035 4.505 4.470 -0.000 0.000 0.231 383 S C 1.956 176.541 174.600 -0.024 0.000 1.005 383 S CA 1.064 59.242 58.200 -0.036 0.000 0.949 383 S CB -0.226 62.966 63.200 -0.012 0.000 0.774 383 S HN 0.413 nan 8.310 nan 0.000 0.510 384 L N 0.838 122.057 121.223 -0.006 0.000 2.554 384 L HA 0.116 4.456 4.340 -0.000 0.000 0.226 384 L C 2.460 179.336 176.870 0.010 0.000 1.137 384 L CA 0.232 55.092 54.840 0.033 0.000 0.863 384 L CB -0.395 41.729 42.059 0.109 0.000 0.985 384 L HN 0.317 nan 8.230 nan 0.000 0.451 385 Q N 0.072 119.822 119.800 -0.083 0.000 2.226 385 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 385 Q C 1.219 177.193 176.000 -0.043 0.000 0.975 385 Q CA 1.340 57.084 55.803 -0.098 0.000 0.866 385 Q CB -0.064 28.561 28.738 -0.189 0.000 0.915 385 Q HN 0.507 nan 8.270 nan 0.000 0.440 386 D N 0.508 120.887 120.400 -0.035 0.000 2.123 386 D HA -0.077 4.563 4.640 -0.000 0.000 0.200 386 D C 1.952 178.248 176.300 -0.006 0.000 0.976 386 D CA 0.838 54.826 54.000 -0.021 0.000 0.831 386 D CB 0.035 40.822 40.800 -0.021 0.000 0.974 386 D HN 0.440 nan 8.370 nan 0.000 0.469 387 I N -2.339 118.233 120.570 0.004 0.000 2.852 387 I HA 0.015 4.185 4.170 -0.000 0.000 0.264 387 I C 1.619 177.746 176.117 0.017 0.000 1.179 387 I CA 0.327 61.633 61.300 0.011 0.000 1.480 387 I CB -0.038 37.970 38.000 0.014 0.000 1.111 387 I HN -0.156 nan 8.210 nan 0.000 0.441 388 I N 2.420 123.006 120.570 0.027 0.000 2.614 388 I HA -0.129 4.041 4.170 -0.000 0.000 0.258 388 I C 2.762 178.894 176.117 0.025 0.000 1.189 388 I CA 1.410 62.731 61.300 0.036 0.000 1.462 388 I CB -1.131 36.908 38.000 0.066 0.000 1.092 388 I HN 0.369 nan 8.210 nan 0.000 0.442 389 A N 0.266 123.094 122.820 0.015 0.000 2.119 389 A HA 0.020 4.340 4.320 -0.000 0.000 0.216 389 A C 2.230 179.818 177.584 0.006 0.000 1.152 389 A CA 0.923 52.965 52.037 0.008 0.000 0.708 389 A CB -0.130 18.869 19.000 -0.001 0.000 0.805 389 A HN 0.381 nan 8.150 nan 0.000 0.460 390 I N -2.098 118.476 120.570 0.007 0.000 3.366 390 I HA 0.098 4.267 4.170 -0.000 0.000 0.267 390 I C 1.600 177.722 176.117 0.007 0.000 1.149 390 I CA 0.296 61.599 61.300 0.005 0.000 1.436 390 I CB 0.031 38.032 38.000 0.003 0.000 1.379 390 I HN 0.096 nan 8.210 nan 0.000 0.460 391 L N 1.300 122.529 121.223 0.009 0.000 2.610 391 L HA 0.204 4.544 4.340 -0.000 0.000 0.232 391 L C 0.973 177.850 176.870 0.011 0.000 1.149 391 L CA 0.197 55.043 54.840 0.010 0.000 0.872 391 L CB -0.734 41.332 42.059 0.011 0.000 0.992 391 L HN 0.457 nan 8.230 nan 0.000 0.447 392 G N -0.686 108.122 108.800 0.012 0.000 2.855 392 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.352 392 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.352 392 G C 0.382 175.293 174.900 0.018 0.000 1.415 392 G CA 0.110 45.218 45.100 0.014 0.000 0.871 392 G HN 0.028 nan 8.290 nan 0.000 0.543 393 M N -0.512 119.099 119.600 0.018 0.000 2.123 393 M HA -0.036 4.444 4.480 -0.000 0.000 0.263 393 M C 2.173 178.483 176.300 0.016 0.000 1.069 393 M CA 2.536 57.849 55.300 0.021 0.000 1.133 393 M CB -0.645 31.966 32.600 0.019 0.000 1.356 393 M HN 0.641 nan 8.290 nan 0.000 0.415 394 D N 1.131 121.537 120.400 0.012 0.000 2.239 394 D HA -0.165 4.475 4.640 -0.000 0.000 0.202 394 D C 0.620 176.926 176.300 0.010 0.000 0.993 394 D CA 0.987 54.992 54.000 0.009 0.000 0.874 394 D CB -0.331 40.473 40.800 0.007 0.000 0.922 394 D HN 0.415 nan 8.370 nan 0.000 0.464 395 E N 0.380 120.586 120.200 0.011 0.000 2.676 395 E HA 0.118 4.468 4.350 -0.000 0.000 0.318 395 E C -0.009 176.600 176.600 0.014 0.000 1.514 395 E CA 0.093 56.499 56.400 0.011 0.000 1.667 395 E CB -0.257 29.450 29.700 0.011 0.000 1.336 395 E HN 0.353 nan 8.360 nan 0.000 0.492 396 L N 0.478 121.709 121.223 0.013 0.000 2.354 396 L HA 0.250 4.590 4.340 -0.000 0.000 0.269 396 L C 0.539 177.415 176.870 0.010 0.000 1.005 396 L CA -0.759 54.090 54.840 0.014 0.000 0.819 396 L CB 1.944 44.011 42.059 0.015 0.000 1.311 396 L HN 0.078 nan 8.230 nan 0.000 0.423 397 S N 0.481 116.187 115.700 0.011 0.000 2.652 397 S HA 0.247 4.717 4.470 -0.000 0.000 0.270 397 S C 0.850 175.454 174.600 0.006 0.000 1.243 397 S CA -0.641 57.564 58.200 0.008 0.000 0.999 397 S CB 1.298 64.503 63.200 0.009 0.000 0.973 397 S HN 0.633 nan 8.310 nan 0.000 0.544 398 E N 1.012 121.215 120.200 0.005 0.000 2.055 398 E HA -0.270 4.080 4.350 -0.000 0.000 0.209 398 E C 1.835 178.436 176.600 0.002 0.000 1.036 398 E CA 1.809 58.211 56.400 0.003 0.000 0.849 398 E CB -0.566 29.135 29.700 0.003 0.000 0.767 398 E HN 0.844 nan 8.360 nan 0.000 0.461 399 Q N 0.311 120.113 119.800 0.004 0.000 2.230 399 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 399 Q C 1.187 177.188 176.000 0.003 0.000 0.963 399 Q CA 1.146 56.951 55.803 0.003 0.000 0.866 399 Q CB 0.132 28.874 28.738 0.006 0.000 0.931 399 Q HN 0.207 nan 8.270 nan 0.000 0.452 400 D N 0.626 121.029 120.400 0.006 0.000 2.091 400 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 400 D C 1.729 178.030 176.300 0.001 0.000 0.980 400 D CA 1.602 55.608 54.000 0.010 0.000 0.831 400 D CB -0.057 40.754 40.800 0.018 0.000 0.987 400 D HN 0.328 nan 8.370 nan 0.000 0.460 401 K N 0.463 120.863 120.400 -0.001 0.000 2.280 401 K HA -0.100 4.220 4.320 -0.000 0.000 0.202 401 K C 1.828 178.415 176.600 -0.022 0.000 1.047 401 K CA 0.761 57.043 56.287 -0.008 0.000 0.942 401 K CB -0.110 32.389 32.500 -0.003 0.000 0.739 401 K HN 0.146 nan 8.250 nan 0.000 0.457 402 L N 2.256 123.467 121.223 -0.020 0.000 2.071 402 L HA -0.092 4.248 4.340 -0.000 0.000 0.201 402 L C 2.576 179.418 176.870 -0.046 0.000 1.076 402 L CA 2.197 57.020 54.840 -0.028 0.000 0.755 402 L CB -0.732 41.318 42.059 -0.016 0.000 0.915 402 L HN 0.430 nan 8.230 nan 0.000 0.445 403 T N -3.316 111.216 114.554 -0.036 0.000 2.803 403 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 403 T C 1.828 176.469 174.700 -0.098 0.000 1.052 403 T CA 1.598 63.670 62.100 -0.046 0.000 1.136 403 T CB -1.073 67.786 68.868 -0.015 0.000 0.864 403 T HN 0.143 nan 8.240 nan 0.000 0.467 404 V N 1.662 121.511 119.914 -0.108 0.000 2.427 404 V HA -0.086 4.034 4.120 -0.000 0.000 0.248 404 V C 2.736 178.652 176.094 -0.296 0.000 1.051 404 V CA 2.042 64.206 62.300 -0.227 0.000 1.048 404 V CB -0.649 31.108 31.823 -0.109 0.000 0.666 404 V HN 0.625 nan 8.190 nan 0.000 0.456 405 E N -0.013 120.087 120.200 -0.168 0.000 2.204 405 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 405 E C 2.321 178.823 176.600 -0.163 0.000 0.989 405 E CA 0.932 57.248 56.400 -0.140 0.000 0.824 405 E CB 0.088 29.744 29.700 -0.073 0.000 0.756 405 E HN 0.485 nan 8.360 nan 0.000 0.477 406 R N -0.752 119.648 120.500 -0.165 0.000 2.237 406 R HA 0.151 4.491 4.340 -0.000 0.000 0.195 406 R C 1.935 178.116 176.300 -0.199 0.000 0.956 406 R CA 0.849 56.845 56.100 -0.173 0.000 1.029 406 R CB 0.124 30.362 30.300 -0.104 0.000 0.972 406 R HN 0.110 nan 8.270 nan 0.000 0.493 407 A N 1.019 123.706 122.820 -0.222 0.000 1.840 407 A HA -0.094 4.226 4.320 -0.000 0.000 0.214 407 A C 1.969 179.407 177.584 -0.244 0.000 1.198 407 A CA 1.042 52.953 52.037 -0.211 0.000 0.608 407 A CB -0.476 18.354 19.000 -0.283 0.000 0.839 407 A HN 0.260 nan 8.150 nan 0.000 0.443 408 R N -0.438 119.805 120.500 -0.428 0.000 2.178 408 R HA -0.270 4.070 4.340 -0.000 0.000 0.257 408 R C 2.516 178.726 176.300 -0.149 0.000 1.163 408 R CA 2.475 58.425 56.100 -0.249 0.000 0.981 408 R CB -0.451 29.702 30.300 -0.245 0.000 0.878 408 R HN 0.590 nan 8.270 nan 0.000 0.454 409 K N 0.675 120.915 120.400 -0.267 0.000 2.062 409 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 409 K C 1.855 178.182 176.600 -0.455 0.000 1.051 409 K CA 1.456 57.426 56.287 -0.528 0.000 0.941 409 K CB -0.562 31.445 32.500 -0.820 0.000 0.719 409 K HN 0.171 nan 8.250 nan 0.000 0.440 410 I N 0.831 121.270 120.570 -0.217 0.000 2.163 410 I HA -0.283 3.887 4.170 -0.000 0.000 0.240 410 I C 3.064 179.287 176.117 0.177 0.000 1.081 410 I CA 1.623 62.942 61.300 0.031 0.000 1.353 410 I CB -0.060 38.018 38.000 0.129 0.000 1.054 410 I HN 0.541 nan 8.210 nan 0.000 0.407 411 Q N 0.979 120.853 119.800 0.124 0.000 2.268 411 Q HA -0.263 4.077 4.340 -0.000 0.000 0.210 411 Q C 2.123 178.235 176.000 0.188 0.000 0.988 411 Q CA 1.741 57.642 55.803 0.164 0.000 0.883 411 Q CB 0.048 28.893 28.738 0.178 0.000 0.911 411 Q HN 0.433 nan 8.270 nan 0.000 0.430 412 R N -1.307 119.307 120.500 0.190 0.000 2.189 412 R HA 0.025 4.365 4.340 -0.000 0.000 0.203 412 R C 1.709 178.211 176.300 0.336 0.000 1.012 412 R CA 0.321 56.583 56.100 0.270 0.000 1.015 412 R CB 0.061 30.538 30.300 0.294 0.000 0.938 412 R HN 0.193 nan 8.270 nan 0.000 0.472 413 F N 1.085 121.099 119.950 0.107 0.000 2.604 413 F HA 0.079 4.605 4.527 -0.000 0.000 0.298 413 F C 1.225 177.185 175.800 0.266 0.000 1.131 413 F CA 0.724 58.791 58.000 0.111 0.000 1.457 413 F CB 0.039 38.934 39.000 -0.175 0.000 1.095 413 F HN -0.072 nan 8.300 nan 0.000 0.574 414 L N -0.334 121.090 121.223 0.335 0.000 2.492 414 L HA 0.000 4.340 4.340 -0.000 0.000 0.223 414 L C 1.529 178.463 176.870 0.108 0.000 1.132 414 L CA 0.277 55.231 54.840 0.191 0.000 0.850 414 L CB -0.787 41.359 42.059 0.145 0.000 0.966 414 L HN 0.071 nan 8.230 nan 0.000 0.454 415 S N -0.069 115.695 115.700 0.106 0.000 2.606 415 S HA 0.281 4.751 4.470 -0.000 0.000 0.257 415 S C -0.218 174.376 174.600 -0.009 0.000 1.327 415 S CA -0.399 57.801 58.200 0.001 0.000 0.984 415 S CB 1.572 64.704 63.200 -0.113 0.000 0.941 415 S HN 0.309 nan 8.310 nan 0.000 0.576 416 Q N -0.120 119.623 119.800 -0.095 0.000 2.599 416 Q HA 0.313 4.653 4.340 -0.000 0.000 0.248 416 Q C -3.208 172.701 176.000 -0.152 0.000 0.964 416 Q CA -1.392 54.380 55.803 -0.051 0.000 1.011 416 Q CB 1.913 30.692 28.738 0.069 0.000 1.592 416 Q HN 0.576 nan 8.270 nan 0.000 0.443 417 P HA 0.227 nan 4.420 nan 0.000 0.276 417 P C -1.034 176.372 177.300 0.177 0.000 1.235 417 P CA -0.088 62.994 63.100 -0.029 0.000 0.772 417 P CB 0.258 31.958 31.700 0.000 0.000 0.871 418 F N 1.688 121.612 119.950 -0.043 0.000 2.408 418 F HA 0.331 4.858 4.527 -0.000 0.000 0.344 418 F C 1.722 177.486 175.800 -0.059 0.000 1.112 418 F CA -1.544 56.421 58.000 -0.057 0.000 1.096 418 F CB 0.623 39.581 39.000 -0.069 0.000 1.129 418 F HN 0.392 nan 8.300 nan 0.000 0.486 419 A N 2.933 125.816 122.820 0.104 0.000 2.024 419 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 419 A C 1.943 179.532 177.584 0.008 0.000 1.164 419 A CA 2.226 54.277 52.037 0.024 0.000 0.643 419 A CB -0.858 18.125 19.000 -0.028 0.000 0.806 419 A HN 0.626 nan 8.150 nan 0.000 0.451 420 V N -3.046 116.867 119.914 -0.001 0.000 2.649 420 V HA 0.164 4.284 4.120 -0.000 0.000 0.248 420 V C 2.502 178.581 176.094 -0.025 0.000 1.054 420 V CA 1.203 63.481 62.300 -0.036 0.000 1.073 420 V CB -1.300 30.468 31.823 -0.092 0.000 0.699 420 V HN 0.430 nan 8.190 nan 0.000 0.463 421 A N 0.297 123.135 122.820 0.030 0.000 2.019 421 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 421 A C 2.140 179.759 177.584 0.059 0.000 1.164 421 A CA 1.826 53.865 52.037 0.003 0.000 0.644 421 A CB -0.698 18.298 19.000 -0.006 0.000 0.805 421 A HN 0.676 nan 8.150 nan 0.000 0.449 422 E N -0.215 120.018 120.200 0.056 0.000 2.149 422 E HA -0.283 4.066 4.350 -0.000 0.000 0.215 422 E C 1.958 178.609 176.600 0.086 0.000 1.055 422 E CA 2.644 59.078 56.400 0.057 0.000 0.870 422 E CB -0.388 29.335 29.700 0.038 0.000 0.764 422 E HN 0.679 nan 8.360 nan 0.000 0.463 423 V N -2.026 117.958 119.914 0.117 0.000 2.626 423 V HA -0.151 3.969 4.120 -0.000 0.000 0.252 423 V C 1.895 178.131 176.094 0.236 0.000 1.067 423 V CA 1.505 63.899 62.300 0.157 0.000 1.081 423 V CB -0.625 31.297 31.823 0.166 0.000 0.686 423 V HN 0.150 nan 8.190 nan 0.000 0.468 424 F N 2.169 122.104 119.950 -0.024 0.000 2.664 424 F HA 0.159 4.686 4.527 -0.000 0.000 0.296 424 F C 2.342 178.124 175.800 -0.031 0.000 1.125 424 F CA 1.205 59.187 58.000 -0.030 0.000 1.444 424 F CB -0.153 38.821 39.000 -0.042 0.000 1.114 424 F HN 0.490 nan 8.300 nan 0.000 0.576 425 T N -5.987 108.647 114.554 0.133 0.000 3.057 425 T HA 0.404 4.754 4.350 -0.000 0.000 0.254 425 T C 1.911 176.637 174.700 0.043 0.000 0.965 425 T CA 0.655 62.794 62.100 0.065 0.000 0.978 425 T CB 0.334 69.226 68.868 0.040 0.000 1.169 425 T HN 0.209 nan 8.240 nan 0.000 0.489 426 G N 1.831 110.657 108.800 0.043 0.000 2.267 426 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.257 426 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.257 426 G C 0.023 174.940 174.900 0.027 0.000 0.998 426 G CA 0.140 45.258 45.100 0.030 0.000 0.620 426 G HN 0.672 nan 8.290 nan 0.000 0.529 427 I N 4.281 124.869 120.570 0.029 0.000 2.648 427 I HA 0.287 4.457 4.170 -0.000 0.000 0.284 427 I C -1.055 175.075 176.117 0.022 0.000 1.153 427 I CA -1.662 59.652 61.300 0.024 0.000 1.426 427 I CB 0.457 38.468 38.000 0.020 0.000 1.381 427 I HN 0.011 nan 8.210 nan 0.000 0.571 428 P HA 0.127 nan 4.420 nan 0.000 0.271 428 P C -0.144 177.170 177.300 0.023 0.000 1.218 428 P CA -0.296 62.814 63.100 0.017 0.000 0.780 428 P CB 0.631 32.338 31.700 0.011 0.000 0.901 429 G N 2.543 111.360 108.800 0.028 0.000 2.400 429 G HA2 0.450 4.410 3.960 -0.000 0.000 0.301 429 G HA3 0.450 4.410 3.960 -0.000 0.000 0.301 429 G C -0.621 174.303 174.900 0.039 0.000 1.154 429 G CA -0.489 44.641 45.100 0.049 0.000 0.852 429 G HN 0.295 nan 8.290 nan 0.000 0.511 430 K N 1.742 122.180 120.400 0.064 0.000 2.463 430 K HA 0.274 4.594 4.320 -0.000 0.000 0.255 430 K C -1.117 175.506 176.600 0.039 0.000 0.942 430 K CA -0.633 55.680 56.287 0.043 0.000 0.814 430 K CB 2.590 35.118 32.500 0.046 0.000 1.122 430 K HN 0.413 nan 8.250 nan 0.000 0.425 431 L N 4.155 125.374 121.223 -0.006 0.000 2.314 431 L HA 0.249 4.589 4.340 -0.000 0.000 0.275 431 L C -0.733 176.119 176.870 -0.029 0.000 1.068 431 L CA -0.798 54.018 54.840 -0.040 0.000 0.894 431 L CB 0.651 42.661 42.059 -0.081 0.000 1.275 431 L HN 0.214 nan 8.230 nan 0.000 0.432 432 V N 5.347 125.253 119.914 -0.012 0.000 2.508 432 V HA 0.258 4.378 4.120 -0.000 0.000 0.281 432 V C 0.854 176.932 176.094 -0.026 0.000 1.041 432 V CA -0.474 61.821 62.300 -0.008 0.000 1.016 432 V CB 0.921 32.746 31.823 0.005 0.000 0.984 432 V HN 0.704 nan 8.190 nan 0.000 0.478 433 R N 2.483 122.970 120.500 -0.022 0.000 2.594 433 R HA 0.102 4.442 4.340 -0.000 0.000 0.272 433 R C 1.241 177.530 176.300 -0.018 0.000 1.074 433 R CA -0.428 55.658 56.100 -0.024 0.000 1.105 433 R CB 0.644 30.933 30.300 -0.018 0.000 1.008 433 R HN 0.686 nan 8.270 nan 0.000 0.472 434 L N 3.915 125.129 121.223 -0.016 0.000 2.043 434 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 434 L C 1.852 178.704 176.870 -0.031 0.000 1.075 434 L CA 1.957 56.784 54.840 -0.023 0.000 0.752 434 L CB -0.233 41.838 42.059 0.020 0.000 0.891 434 L HN 0.479 nan 8.230 nan 0.000 0.432 435 K N 0.474 120.871 120.400 -0.004 0.000 2.015 435 K HA -0.233 4.087 4.320 -0.000 0.000 0.220 435 K C 1.867 178.472 176.600 0.008 0.000 1.055 435 K CA 2.152 58.442 56.287 0.004 0.000 0.951 435 K CB -1.192 31.316 32.500 0.014 0.000 0.725 435 K HN 0.546 nan 8.250 nan 0.000 0.449 436 D N 0.242 120.652 120.400 0.017 0.000 2.106 436 D HA -0.140 4.500 4.640 -0.000 0.000 0.191 436 D C 1.926 178.257 176.300 0.052 0.000 0.997 436 D CA 1.692 55.716 54.000 0.041 0.000 0.834 436 D CB -0.814 40.013 40.800 0.045 0.000 0.956 436 D HN 0.238 nan 8.370 nan 0.000 0.448 437 T N 1.355 115.919 114.554 0.016 0.000 2.685 437 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 437 T C 2.282 177.001 174.700 0.033 0.000 1.034 437 T CA 1.167 63.273 62.100 0.011 0.000 1.149 437 T CB -0.479 68.334 68.868 -0.091 0.000 0.860 437 T HN 0.002 nan 8.240 nan 0.000 0.449 438 V N 1.476 121.356 119.914 -0.057 0.000 2.244 438 V HA -0.158 3.962 4.120 -0.000 0.000 0.244 438 V C 2.876 179.007 176.094 0.062 0.000 1.042 438 V CA 1.777 64.030 62.300 -0.078 0.000 1.006 438 V CB -1.330 30.404 31.823 -0.148 0.000 0.641 438 V HN 0.557 nan 8.190 nan 0.000 0.446 439 A N -0.011 122.853 122.820 0.073 0.000 1.851 439 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 439 A C 2.463 180.144 177.584 0.161 0.000 1.195 439 A CA 2.552 54.653 52.037 0.105 0.000 0.622 439 A CB -1.145 17.908 19.000 0.088 0.000 0.831 439 A HN 0.517 nan 8.150 nan 0.000 0.444 440 S N -0.586 115.223 115.700 0.182 0.000 2.406 440 S HA -0.272 4.198 4.470 -0.000 0.000 0.242 440 S C 1.605 176.351 174.600 0.242 0.000 1.079 440 S CA 2.152 60.495 58.200 0.238 0.000 1.133 440 S CB -0.684 62.697 63.200 0.301 0.000 1.005 440 S HN 0.519 nan 8.310 nan 0.000 0.443 441 F N 1.320 121.358 119.950 0.147 0.000 2.293 441 F HA 0.107 4.634 4.527 -0.000 0.000 0.297 441 F C 2.326 178.187 175.800 0.101 0.000 1.089 441 F CA 0.835 58.912 58.000 0.127 0.000 1.377 441 F CB -0.248 38.754 39.000 0.004 0.000 1.051 441 F HN 0.077 nan 8.300 nan 0.000 0.511 442 K N 0.540 121.080 120.400 0.233 0.000 2.032 442 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 442 K C 2.266 178.949 176.600 0.139 0.000 1.048 442 K CA 1.293 57.672 56.287 0.153 0.000 0.927 442 K CB -0.301 32.268 32.500 0.115 0.000 0.712 442 K HN 0.214 nan 8.250 nan 0.000 0.441 443 A N 0.677 123.594 122.820 0.163 0.000 1.877 443 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 443 A C 2.257 179.963 177.584 0.204 0.000 1.186 443 A CA 1.720 53.869 52.037 0.187 0.000 0.620 443 A CB -0.738 18.430 19.000 0.280 0.000 0.822 443 A HN 0.175 nan 8.150 nan 0.000 0.443 444 V N 0.020 120.051 119.914 0.196 0.000 2.332 444 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 444 V C 2.556 178.695 176.094 0.075 0.000 1.055 444 V CA 2.052 64.432 62.300 0.132 0.000 1.038 444 V CB -0.790 31.010 31.823 -0.039 0.000 0.651 444 V HN 0.565 nan 8.190 nan 0.000 0.450 445 L N -0.416 120.857 121.223 0.083 0.000 2.191 445 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 445 L C 2.370 179.270 176.870 0.051 0.000 1.103 445 L CA 1.516 56.395 54.840 0.066 0.000 0.769 445 L CB -0.455 41.657 42.059 0.088 0.000 0.908 445 L HN 0.396 nan 8.230 nan 0.000 0.438 446 E N -0.641 119.595 120.200 0.059 0.000 2.481 446 E HA 0.022 4.372 4.350 -0.000 0.000 0.195 446 E C 1.349 177.960 176.600 0.018 0.000 1.047 446 E CA 0.490 56.913 56.400 0.038 0.000 0.867 446 E CB 0.214 29.938 29.700 0.039 0.000 0.858 446 E HN 0.522 nan 8.360 nan 0.000 0.513 447 G N 1.811 110.626 108.800 0.024 0.000 2.141 447 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.231 447 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.231 447 G C 0.725 175.608 174.900 -0.028 0.000 0.984 447 G CA 0.281 45.384 45.100 0.006 0.000 0.660 447 G HN 0.199 nan 8.290 nan 0.000 0.525 448 K N -0.835 119.532 120.400 -0.054 0.000 2.551 448 K HA 0.290 4.609 4.320 -0.000 0.000 0.192 448 K C 0.572 176.845 176.600 -0.545 0.000 1.027 448 K CA 0.598 56.729 56.287 -0.261 0.000 1.059 448 K CB -0.008 32.322 32.500 -0.283 0.000 0.831 448 K HN 0.575 nan 8.250 nan 0.000 0.508 449 Y N -1.511 118.804 120.300 0.026 0.000 2.890 449 Y HA 0.070 4.619 4.550 -0.000 0.000 0.266 449 Y C 0.566 176.525 175.900 0.098 0.000 1.090 449 Y CA -0.725 57.411 58.100 0.061 0.000 1.258 449 Y CB 0.559 39.084 38.460 0.108 0.000 1.346 449 Y HN -0.034 nan 8.280 nan 0.000 0.578 450 D N 1.036 121.515 120.400 0.133 0.000 2.158 450 D HA -0.162 4.477 4.640 -0.000 0.000 0.197 450 D C 0.942 177.299 176.300 0.095 0.000 0.995 450 D CA 1.644 55.696 54.000 0.088 0.000 0.846 450 D CB -0.244 40.573 40.800 0.028 0.000 0.941 450 D HN 0.451 nan 8.370 nan 0.000 0.456 451 N N 0.944 119.687 118.700 0.071 0.000 2.652 451 N HA -0.015 4.725 4.740 -0.000 0.000 0.259 451 N C -0.496 175.055 175.510 0.068 0.000 1.240 451 N CA 0.111 53.192 53.050 0.052 0.000 0.951 451 N CB -0.117 38.380 38.487 0.016 0.000 1.281 451 N HN 0.090 nan 8.380 nan 0.000 0.507 452 I N 1.091 121.733 120.570 0.121 0.000 2.498 452 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 452 I C -2.262 173.928 176.117 0.122 0.000 1.032 452 I CA -2.474 58.866 61.300 0.067 0.000 1.073 452 I CB 1.950 39.933 38.000 -0.027 0.000 1.251 452 I HN -0.019 nan 8.210 nan 0.000 0.426 453 P HA 0.226 nan 4.420 nan 0.000 0.271 453 P C 0.474 177.870 177.300 0.160 0.000 1.218 453 P CA -0.134 63.019 63.100 0.088 0.000 0.780 453 P CB 1.321 33.049 31.700 0.046 0.000 0.901 454 E N 0.457 120.792 120.200 0.225 0.000 2.097 454 E HA -0.286 4.064 4.350 -0.000 0.000 0.196 454 E C 1.732 178.525 176.600 0.322 0.000 1.000 454 E CA 1.480 58.089 56.400 0.348 0.000 0.804 454 E CB -0.492 29.323 29.700 0.192 0.000 0.740 454 E HN 0.609 nan 8.360 nan 0.000 0.454 455 H N 0.062 119.186 119.070 0.090 0.000 2.489 455 H HA -0.032 4.524 4.556 -0.000 0.000 0.295 455 H C 1.690 177.033 175.328 0.024 0.000 1.082 455 H CA 1.229 57.313 56.048 0.059 0.000 1.295 455 H CB -0.117 29.646 29.762 0.002 0.000 1.380 455 H HN 0.190 nan 8.280 nan 0.000 0.548 456 A N -0.684 122.030 122.820 -0.176 0.000 2.070 456 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 456 A C 1.743 179.016 177.584 -0.518 0.000 1.159 456 A CA 1.197 52.985 52.037 -0.415 0.000 0.656 456 A CB -0.830 17.833 19.000 -0.562 0.000 0.800 456 A HN 0.465 nan 8.150 nan 0.000 0.453 457 F N -2.803 117.052 119.950 -0.159 0.000 2.698 457 F HA 0.169 4.696 4.527 0.000 0.000 0.295 457 F C 0.842 176.651 175.800 0.016 0.000 1.124 457 F CA -0.133 57.760 58.000 -0.179 0.000 1.426 457 F CB -0.062 38.833 39.000 -0.174 0.000 1.120 457 F HN 0.277 nan 8.300 nan 0.000 0.583 458 Y N 1.704 122.025 120.300 0.034 0.000 2.393 458 Y HA 0.288 4.838 4.550 -0.000 0.000 0.338 458 Y C 0.614 176.508 175.900 -0.010 0.000 1.029 458 Y CA -1.309 56.819 58.100 0.046 0.000 1.239 458 Y CB 0.265 38.766 38.460 0.069 0.000 1.170 458 Y HN 0.045 nan 8.280 nan 0.000 0.515 459 M N 5.646 125.014 119.600 -0.387 0.000 2.297 459 M HA -0.159 4.321 4.480 -0.000 0.000 0.200 459 M C -1.423 174.818 176.300 -0.099 0.000 0.414 459 M CA 0.890 56.001 55.300 -0.315 0.000 0.449 459 M CB -2.542 29.811 32.600 -0.412 0.000 1.436 459 M HN 0.435 nan 8.290 nan 0.000 0.912 460 V N -3.184 116.732 119.914 0.003 0.000 2.962 460 V HA 1.038 5.158 4.120 -0.000 0.000 0.313 460 V C 0.921 177.096 176.094 0.136 0.000 1.099 460 V CA -0.255 62.074 62.300 0.048 0.000 0.971 460 V CB 1.564 33.392 31.823 0.008 0.000 1.028 460 V HN 0.421 nan 8.190 nan 0.000 0.430 461 G N 1.722 110.585 108.800 0.104 0.000 2.937 461 G HA2 0.454 4.414 3.960 -0.000 0.000 0.160 461 G HA3 0.454 4.414 3.960 -0.000 0.000 0.160 461 G C 0.565 175.582 174.900 0.196 0.000 1.863 461 G CA 0.034 45.202 45.100 0.114 0.000 0.941 461 G HN 1.409 nan 8.290 nan 0.000 0.419 462 G N -1.248 107.637 108.800 0.140 0.000 2.537 462 G HA2 0.364 4.324 3.960 -0.000 0.000 0.273 462 G HA3 0.364 4.324 3.960 -0.000 0.000 0.273 462 G C 0.950 175.952 174.900 0.170 0.000 1.189 462 G CA -0.062 45.145 45.100 0.177 0.000 0.881 462 G HN 0.455 nan 8.290 nan 0.000 0.535 463 I N 0.009 120.692 120.570 0.189 0.000 2.191 463 I HA -0.304 3.866 4.170 -0.000 0.000 0.248 463 I C 2.396 178.427 176.117 -0.144 0.000 1.061 463 I CA 2.033 63.301 61.300 -0.054 0.000 1.329 463 I CB -0.154 37.805 38.000 -0.068 0.000 1.024 463 I HN 0.758 nan 8.210 nan 0.000 0.423 464 E N -0.336 119.835 120.200 -0.048 0.000 2.265 464 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 464 E C 1.391 177.946 176.600 -0.074 0.000 0.996 464 E CA 1.193 57.563 56.400 -0.049 0.000 0.832 464 E CB -0.174 29.520 29.700 -0.011 0.000 0.756 464 E HN 0.617 nan 8.360 nan 0.000 0.491 465 D N -0.423 119.933 120.400 -0.074 0.000 2.305 465 D HA -0.050 4.590 4.640 -0.000 0.000 0.206 465 D C 1.862 178.056 176.300 -0.176 0.000 0.974 465 D CA 0.354 54.301 54.000 -0.087 0.000 0.871 465 D CB 0.255 41.034 40.800 -0.035 0.000 0.947 465 D HN 0.021 nan 8.370 nan 0.000 0.516 466 V N 0.411 120.154 119.914 -0.285 0.000 2.453 466 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 466 V C 2.529 178.383 176.094 -0.399 0.000 1.048 466 V CA 0.844 62.847 62.300 -0.495 0.000 1.049 466 V CB -0.408 30.922 31.823 -0.823 0.000 0.672 466 V HN 0.053 nan 8.190 nan 0.000 0.457 467 V N 0.606 120.350 119.914 -0.282 0.000 2.244 467 V HA -0.221 3.898 4.120 -0.000 0.000 0.244 467 V C 2.795 178.818 176.094 -0.118 0.000 1.042 467 V CA 2.113 64.321 62.300 -0.154 0.000 1.006 467 V CB -1.180 30.602 31.823 -0.069 0.000 0.641 467 V HN 0.530 nan 8.190 nan 0.000 0.446 468 A N -0.622 122.137 122.820 -0.103 0.000 1.883 468 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 468 A C 2.356 179.889 177.584 -0.086 0.000 1.186 468 A CA 2.242 54.234 52.037 -0.075 0.000 0.624 468 A CB -0.527 18.439 19.000 -0.057 0.000 0.822 468 A HN 0.481 nan 8.150 nan 0.000 0.444 469 K N -0.612 119.715 120.400 -0.122 0.000 2.002 469 K HA -0.110 4.210 4.320 -0.000 0.000 0.209 469 K C 2.236 178.766 176.600 -0.116 0.000 1.048 469 K CA 1.227 57.441 56.287 -0.123 0.000 0.930 469 K CB -0.330 32.066 32.500 -0.172 0.000 0.714 469 K HN 0.406 nan 8.250 nan 0.000 0.438 470 A N 1.278 124.003 122.820 -0.159 0.000 2.019 470 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 470 A C 1.685 179.224 177.584 -0.075 0.000 1.164 470 A CA 1.502 53.460 52.037 -0.132 0.000 0.644 470 A CB -0.326 18.567 19.000 -0.178 0.000 0.805 470 A HN 0.423 nan 8.150 nan 0.000 0.449 471 E N -0.672 119.488 120.200 -0.066 0.000 2.216 471 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 471 E C 1.775 178.357 176.600 -0.030 0.000 0.988 471 E CA 0.782 57.157 56.400 -0.041 0.000 0.834 471 E CB -0.027 29.652 29.700 -0.036 0.000 0.772 471 E HN 0.560 nan 8.360 nan 0.000 0.479 472 K N 0.353 120.733 120.400 -0.032 0.000 2.314 472 K HA 0.062 4.382 4.320 -0.000 0.000 0.198 472 K C 1.904 178.499 176.600 -0.009 0.000 1.045 472 K CA 0.156 56.432 56.287 -0.018 0.000 0.988 472 K CB 0.250 32.740 32.500 -0.018 0.000 0.783 472 K HN 0.054 nan 8.250 nan 0.000 0.484 473 L N 0.201 121.418 121.223 -0.011 0.000 2.291 473 L HA -0.072 4.268 4.340 -0.000 0.000 0.214 473 L C 2.288 179.157 176.870 -0.001 0.000 1.120 473 L CA 0.643 55.486 54.840 0.005 0.000 0.799 473 L CB -0.310 41.756 42.059 0.011 0.000 0.925 473 L HN 0.136 nan 8.230 nan 0.000 0.446 474 A N -0.134 122.680 122.820 -0.010 0.000 2.019 474 A HA 0.232 4.552 4.320 -0.000 0.000 0.219 474 A C 1.223 178.804 177.584 -0.006 0.000 1.164 474 A CA 1.435 53.466 52.037 -0.010 0.000 0.644 474 A CB -0.290 18.701 19.000 -0.014 0.000 0.805 474 A HN 0.383 nan 8.150 nan 0.000 0.449 475 A N 0.000 122.817 122.820 -0.005 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 475 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486