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 3fks_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 0.000 177.323 177.300 0.038 0.000 1.155 8 P CA 0.000 63.117 63.100 0.027 0.000 0.800 8 P CB 0.000 31.718 31.700 0.029 0.000 0.726 9 I N 1.422 122.022 120.570 0.051 0.000 2.371 9 I HA 0.272 4.442 4.170 -0.001 0.000 0.282 9 I C 0.364 176.575 176.117 0.156 0.000 1.031 9 I CA -0.177 61.170 61.300 0.078 0.000 1.180 9 I CB 1.009 39.028 38.000 0.032 0.000 1.336 9 I HN 0.254 nan 8.210 nan 0.000 0.467 10 T N 4.271 118.929 114.554 0.174 0.000 2.922 10 T HA 0.767 5.117 4.350 -0.001 0.000 0.285 10 T C 0.459 175.295 174.700 0.227 0.000 1.005 10 T CA -0.568 61.629 62.100 0.162 0.000 1.061 10 T CB 2.070 70.993 68.868 0.092 0.000 1.007 10 T HN 0.860 nan 8.240 nan 0.000 0.502 11 G N 1.373 110.186 108.800 0.021 0.000 2.759 11 G HA2 0.584 4.544 3.960 -0.001 0.000 0.297 11 G HA3 0.584 4.544 3.960 -0.001 0.000 0.297 11 G C -1.433 173.304 174.900 -0.273 0.000 1.434 11 G CA -0.824 44.035 45.100 -0.401 0.000 0.980 11 G HN 0.545 nan 8.290 nan 0.000 0.531 12 K N 0.070 120.312 120.400 -0.263 0.000 2.258 12 K HA 0.715 5.035 4.320 -0.001 0.000 0.236 12 K C -0.524 175.991 176.600 -0.142 0.000 1.008 12 K CA -0.892 55.313 56.287 -0.137 0.000 0.869 12 K CB 2.652 35.111 32.500 -0.069 0.000 1.171 12 K HN 0.243 nan 8.250 nan 0.000 0.447 13 V N 1.566 121.425 119.914 -0.092 0.000 2.509 13 V HA 0.097 4.217 4.120 -0.001 0.000 0.284 13 V C 0.528 176.585 176.094 -0.061 0.000 1.047 13 V CA -0.035 62.221 62.300 -0.073 0.000 0.952 13 V CB 1.388 33.179 31.823 -0.053 0.000 0.988 13 V HN 0.927 nan 8.190 nan 0.000 0.469 14 T N 2.336 116.862 114.554 -0.046 0.000 3.056 14 T HA 0.497 4.847 4.350 -0.001 0.000 0.241 14 T C 0.379 175.060 174.700 -0.032 0.000 1.006 14 T CA 0.748 62.824 62.100 -0.040 0.000 1.115 14 T CB 0.633 69.494 68.868 -0.013 0.000 0.939 14 T HN 0.851 nan 8.240 nan 0.000 0.462 15 A N 0.476 123.282 122.820 -0.024 0.000 2.604 15 A HA 0.701 5.020 4.320 -0.001 0.000 0.295 15 A C -1.848 175.725 177.584 -0.017 0.000 1.067 15 A CA -0.537 51.489 52.037 -0.019 0.000 0.683 15 A CB 1.585 20.577 19.000 -0.013 0.000 1.281 15 A HN 0.076 nan 8.150 nan 0.000 0.407 16 V N 3.068 122.972 119.914 -0.016 0.000 2.488 16 V HA 0.401 4.521 4.120 -0.001 0.000 0.293 16 V C -1.055 175.032 176.094 -0.012 0.000 1.027 16 V CA -0.258 62.033 62.300 -0.014 0.000 0.862 16 V CB 1.467 33.281 31.823 -0.014 0.000 1.008 16 V HN 0.697 nan 8.190 nan 0.000 0.428 17 I N 4.870 125.434 120.570 -0.011 0.000 2.697 17 I HA 0.599 4.769 4.170 -0.001 0.000 0.279 17 I C 0.949 177.060 176.117 -0.010 0.000 1.171 17 I CA 0.421 61.715 61.300 -0.010 0.000 1.135 17 I CB 0.113 38.108 38.000 -0.009 0.000 1.445 17 I HN 0.839 nan 8.210 nan 0.000 0.541 18 G N 4.419 113.213 108.800 -0.010 0.000 2.509 18 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.256 18 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.256 18 G C 0.691 175.585 174.900 -0.010 0.000 1.152 18 G CA 0.227 45.321 45.100 -0.010 0.000 0.951 18 G HN 0.671 nan 8.290 nan 0.000 0.559 19 A N -0.340 122.473 122.820 -0.011 0.000 2.276 19 A HA 0.577 4.897 4.320 -0.001 0.000 0.212 19 A C 0.657 178.235 177.584 -0.010 0.000 1.230 19 A CA 1.063 53.094 52.037 -0.010 0.000 0.844 19 A CB -0.374 18.619 19.000 -0.012 0.000 0.860 19 A HN 0.884 nan 8.150 nan 0.000 0.486 20 I N 0.472 121.036 120.570 -0.010 0.000 2.359 20 I HA 0.286 4.455 4.170 -0.001 0.000 0.284 20 I C -0.491 175.621 176.117 -0.009 0.000 1.018 20 I CA -0.199 61.095 61.300 -0.010 0.000 1.173 20 I CB 1.651 39.645 38.000 -0.011 0.000 1.326 20 I HN -0.100 nan 8.210 nan 0.000 0.462 21 V N 4.954 124.864 119.914 -0.008 0.000 2.581 21 V HA 0.477 4.597 4.120 -0.001 0.000 0.303 21 V C -0.477 175.612 176.094 -0.010 0.000 1.041 21 V CA -0.731 61.563 62.300 -0.010 0.000 0.907 21 V CB 2.000 33.818 31.823 -0.009 0.000 0.994 21 V HN 0.524 nan 8.190 nan 0.000 0.442 22 D N 2.800 123.191 120.400 -0.014 0.000 2.308 22 D HA 0.538 5.177 4.640 -0.001 0.000 0.242 22 D C -0.734 175.548 176.300 -0.030 0.000 1.059 22 D CA -0.082 53.912 54.000 -0.011 0.000 0.830 22 D CB 2.368 43.166 40.800 -0.003 0.000 1.161 22 D HN 0.239 nan 8.370 nan 0.000 0.494 23 V N 2.003 121.891 119.914 -0.042 0.000 2.581 23 V HA 0.258 4.377 4.120 -0.001 0.000 0.303 23 V C -0.368 175.604 176.094 -0.203 0.000 1.041 23 V CA -0.816 61.387 62.300 -0.162 0.000 0.907 23 V CB 1.896 33.584 31.823 -0.224 0.000 0.994 23 V HN 0.533 nan 8.190 nan 0.000 0.442 24 H N 3.014 121.845 119.070 -0.399 0.000 2.476 24 H HA 0.704 5.260 4.556 -0.001 0.000 0.328 24 H C -1.243 173.809 175.328 -0.459 0.000 1.073 24 H CA -0.263 55.618 56.048 -0.278 0.000 1.229 24 H CB 0.998 30.671 29.762 -0.148 0.000 1.432 24 H HN 0.442 nan 8.280 nan 0.000 0.477 25 F N 1.179 120.869 119.950 -0.433 0.000 2.846 25 F HA 0.412 4.939 4.527 -0.001 0.000 0.388 25 F C 0.331 175.943 175.800 -0.312 0.000 1.259 25 F CA -0.878 56.975 58.000 -0.246 0.000 1.118 25 F CB 0.738 39.667 39.000 -0.118 0.000 1.512 25 F HN 0.455 nan 8.300 nan 0.000 0.502 26 E N -0.078 120.199 120.200 0.127 0.000 2.259 26 E HA 0.285 4.634 4.350 -0.001 0.000 0.257 26 E C -1.186 175.426 176.600 0.021 0.000 0.998 26 E CA -0.746 55.680 56.400 0.043 0.000 0.866 26 E CB 0.860 30.600 29.700 0.067 0.000 1.220 26 E HN 0.417 nan 8.360 nan 0.000 0.415 27 Q N 0.207 120.015 119.800 0.013 0.000 2.311 27 Q HA 0.152 4.491 4.340 -0.001 0.000 0.272 27 Q C -0.289 175.707 176.000 -0.008 0.000 1.012 27 Q CA 0.172 55.976 55.803 0.002 0.000 0.891 27 Q CB 0.399 29.142 28.738 0.007 0.000 1.201 27 Q HN 0.459 nan 8.270 nan 0.000 0.391 28 S N 1.553 117.238 115.700 -0.024 0.000 3.682 28 S HA -0.208 4.261 4.470 -0.001 0.000 0.354 28 S C 0.499 175.073 174.600 -0.045 0.000 1.034 28 S CA 1.362 59.539 58.200 -0.038 0.000 1.084 28 S CB -0.978 62.204 63.200 -0.029 0.000 0.903 28 S HN 0.862 nan 8.310 nan 0.000 0.470 29 E N -0.738 119.429 120.200 -0.055 0.000 2.712 29 E HA 0.224 4.573 4.350 -0.001 0.000 0.221 29 E C -0.070 176.407 176.600 -0.205 0.000 0.943 29 E CA -0.204 56.143 56.400 -0.088 0.000 1.259 29 E CB 0.435 30.115 29.700 -0.033 0.000 1.167 29 E HN 0.573 nan 8.360 nan 0.000 0.569 30 L N 3.263 124.390 121.223 -0.160 0.000 2.453 30 L HA 0.222 4.561 4.340 -0.001 0.000 0.272 30 L C -2.043 174.714 176.870 -0.189 0.000 1.182 30 L CA -1.509 53.209 54.840 -0.203 0.000 0.858 30 L CB -0.155 41.958 42.059 0.090 0.000 1.120 30 L HN -0.009 nan 8.230 nan 0.000 0.474 31 P HA 0.198 nan 4.420 nan 0.000 0.274 31 P C -0.682 176.633 177.300 0.025 0.000 1.231 31 P CA -0.430 62.556 63.100 -0.190 0.000 0.790 31 P CB 0.781 32.320 31.700 -0.269 0.000 0.951 32 A N 2.835 125.669 122.820 0.024 0.000 2.304 32 A HA 0.384 4.703 4.320 -0.001 0.000 0.271 32 A C 0.429 178.040 177.584 0.044 0.000 1.091 32 A CA -0.513 51.580 52.037 0.093 0.000 0.812 32 A CB -0.204 18.808 19.000 0.020 0.000 1.056 32 A HN 0.444 nan 8.150 nan 0.000 0.489 33 I N 0.793 121.396 120.570 0.056 0.000 2.872 33 I HA -0.057 4.113 4.170 -0.001 0.000 0.291 33 I C 1.311 177.381 176.117 -0.077 0.000 1.216 33 I CA 0.876 62.161 61.300 -0.026 0.000 1.424 33 I CB -0.403 37.588 38.000 -0.015 0.000 1.351 33 I HN 0.827 nan 8.210 nan 0.000 0.592 34 L N 0.580 121.739 121.223 -0.107 0.000 5.060 34 L HA -0.267 4.073 4.340 -0.001 0.000 0.408 34 L C 0.403 177.258 176.870 -0.026 0.000 0.917 34 L CA 0.533 55.275 54.840 -0.163 0.000 1.627 34 L CB -1.411 40.393 42.059 -0.426 0.000 1.732 34 L HN 0.669 nan 8.230 nan 0.000 0.611 35 N N 1.041 119.730 118.700 -0.019 0.000 2.492 35 N HA 0.497 5.237 4.740 -0.001 0.000 0.260 35 N C 0.285 175.811 175.510 0.025 0.000 1.215 35 N CA 0.904 53.958 53.050 0.007 0.000 0.923 35 N CB 1.004 39.479 38.487 -0.020 0.000 1.092 35 N HN 0.324 nan 8.380 nan 0.000 0.448 36 A N 2.149 124.992 122.820 0.039 0.000 2.279 36 A HA 0.743 5.063 4.320 -0.001 0.000 0.303 36 A C -0.302 177.307 177.584 0.043 0.000 1.108 36 A CA -0.400 51.663 52.037 0.044 0.000 0.830 36 A CB 0.470 19.497 19.000 0.045 0.000 1.106 36 A HN 0.614 nan 8.150 nan 0.000 0.493 37 L N -0.003 121.250 121.223 0.050 0.000 2.303 37 L HA 0.619 4.959 4.340 -0.001 0.000 0.256 37 L C -0.498 176.401 176.870 0.049 0.000 1.034 37 L CA -0.580 54.299 54.840 0.065 0.000 0.832 37 L CB 2.330 44.444 42.059 0.093 0.000 1.403 37 L HN 0.790 nan 8.230 nan 0.000 0.419 38 E N 1.616 121.847 120.200 0.051 0.000 2.275 38 E HA 0.564 4.913 4.350 -0.001 0.000 0.270 38 E C -1.475 175.144 176.600 0.031 0.000 0.882 38 E CA -0.480 55.941 56.400 0.035 0.000 0.758 38 E CB 3.231 32.949 29.700 0.030 0.000 1.195 38 E HN 0.360 nan 8.360 nan 0.000 0.419 39 I N 3.436 124.019 120.570 0.021 0.000 2.418 39 I HA 0.198 4.367 4.170 -0.001 0.000 0.287 39 I C -0.160 175.963 176.117 0.010 0.000 1.008 39 I CA -0.972 60.336 61.300 0.013 0.000 1.104 39 I CB 1.419 39.423 38.000 0.007 0.000 1.264 39 I HN 0.298 nan 8.210 nan 0.000 0.438 40 K N 4.741 125.146 120.400 0.009 0.000 2.383 40 K HA 0.386 4.705 4.320 -0.001 0.000 0.286 40 K C -0.223 176.379 176.600 0.004 0.000 1.051 40 K CA -0.316 55.975 56.287 0.007 0.000 0.974 40 K CB 0.419 32.923 32.500 0.007 0.000 0.968 40 K HN 0.640 nan 8.250 nan 0.000 0.475 41 T N -0.607 113.949 114.554 0.003 0.000 2.916 41 T HA 0.324 4.674 4.350 -0.001 0.000 0.292 41 T C -2.068 172.632 174.700 0.001 0.000 1.064 41 T CA -1.979 60.122 62.100 0.001 0.000 1.011 41 T CB 1.685 70.553 68.868 0.001 0.000 1.152 41 T HN 0.195 nan 8.240 nan 0.000 0.510 42 P HA -0.037 nan 4.420 nan 0.000 0.219 42 P C 1.260 178.560 177.300 -0.000 0.000 1.146 42 P CA 0.968 64.068 63.100 -0.000 0.000 0.808 42 P CB 0.157 31.856 31.700 -0.001 0.000 0.779 43 Q N -1.141 118.659 119.800 -0.000 0.000 2.036 43 Q HA 0.227 4.567 4.340 -0.001 0.000 0.195 43 Q C 1.590 177.590 176.000 0.001 0.000 0.971 43 Q CA 1.677 57.480 55.803 -0.000 0.000 0.826 43 Q CB -0.768 27.970 28.738 -0.000 0.000 0.896 43 Q HN 0.278 nan 8.270 nan 0.000 0.449 44 G N -0.563 108.238 108.800 0.002 0.000 3.319 44 G HA2 0.372 4.332 3.960 -0.001 0.000 0.158 44 G HA3 0.372 4.332 3.960 -0.001 0.000 0.158 44 G C -1.408 173.494 174.900 0.004 0.000 1.205 44 G CA -0.433 44.669 45.100 0.003 0.000 1.252 44 G HN 0.104 nan 8.290 nan 0.000 0.668 45 K N 0.089 120.492 120.400 0.005 0.000 2.541 45 K HA 0.710 5.029 4.320 -0.001 0.000 0.250 45 K C -1.501 175.104 176.600 0.009 0.000 0.950 45 K CA -0.787 55.505 56.287 0.008 0.000 0.805 45 K CB 2.704 35.210 32.500 0.009 0.000 1.166 45 K HN 0.417 nan 8.250 nan 0.000 0.430 46 L N 3.049 124.278 121.223 0.009 0.000 2.349 46 L HA 0.310 4.649 4.340 -0.001 0.000 0.275 46 L C -1.029 175.850 176.870 0.015 0.000 1.115 46 L CA -0.084 54.761 54.840 0.010 0.000 0.820 46 L CB 1.459 43.523 42.059 0.007 0.000 1.135 46 L HN 0.580 nan 8.230 nan 0.000 0.445 47 V N 6.559 126.482 119.914 0.015 0.000 2.448 47 V HA 0.461 4.581 4.120 -0.001 0.000 0.295 47 V C -0.147 175.960 176.094 0.022 0.000 1.025 47 V CA -0.584 61.729 62.300 0.021 0.000 0.859 47 V CB 1.405 33.240 31.823 0.020 0.000 0.988 47 V HN 0.596 nan 8.190 nan 0.000 0.431 48 L N 4.097 125.337 121.223 0.029 0.000 2.362 48 L HA 0.634 4.974 4.340 -0.001 0.000 0.275 48 L C -0.143 176.748 176.870 0.035 0.000 0.998 48 L CA -0.415 54.442 54.840 0.029 0.000 0.820 48 L CB 2.204 44.281 42.059 0.030 0.000 1.270 48 L HN 0.627 nan 8.230 nan 0.000 0.415 49 E N 2.144 122.362 120.200 0.030 0.000 2.175 49 E HA 0.403 4.753 4.350 -0.001 0.000 0.278 49 E C -0.980 175.627 176.600 0.011 0.000 0.969 49 E CA -0.792 55.628 56.400 0.034 0.000 0.796 49 E CB 1.975 31.709 29.700 0.056 0.000 1.104 49 E HN 0.332 nan 8.360 nan 0.000 0.395 50 V N 3.476 123.386 119.914 -0.005 0.000 2.740 50 V HA 0.156 4.276 4.120 -0.001 0.000 0.303 50 V C 0.838 176.898 176.094 -0.056 0.000 1.054 50 V CA 0.888 63.161 62.300 -0.045 0.000 1.106 50 V CB 1.008 32.781 31.823 -0.083 0.000 0.957 50 V HN 0.912 nan 8.190 nan 0.000 0.486 51 A N 3.347 126.125 122.820 -0.069 0.000 1.977 51 A HA 0.368 4.688 4.320 -0.001 0.000 0.197 51 A C 0.599 178.149 177.584 -0.056 0.000 1.554 51 A CA 0.085 52.091 52.037 -0.052 0.000 1.037 51 A CB 0.499 19.479 19.000 -0.032 0.000 1.083 51 A HN 0.768 nan 8.150 nan 0.000 0.471 52 Q N -0.843 118.903 119.800 -0.090 0.000 2.501 52 Q HA 0.398 4.737 4.340 -0.001 0.000 0.288 52 Q C -1.636 174.265 176.000 -0.165 0.000 1.051 52 Q CA -0.739 55.026 55.803 -0.063 0.000 0.788 52 Q CB 1.630 30.359 28.738 -0.015 0.000 1.469 52 Q HN 0.472 nan 8.270 nan 0.000 0.416 53 H N 2.114 121.191 119.070 0.011 0.000 2.439 53 H HA 0.223 4.778 4.556 -0.001 0.000 0.239 53 H C 0.792 176.132 175.328 0.019 0.000 1.432 53 H CA 0.020 56.078 56.048 0.017 0.000 1.373 53 H CB 0.414 30.178 29.762 0.004 0.000 1.463 53 H HN 0.552 nan 8.280 nan 0.000 0.530 54 L N 1.396 122.671 121.223 0.086 0.000 2.137 54 L HA -0.189 4.150 4.340 -0.001 0.000 0.213 54 L C 1.272 178.187 176.870 0.075 0.000 1.085 54 L CA 1.530 56.410 54.840 0.066 0.000 0.760 54 L CB -0.123 41.964 42.059 0.047 0.000 0.893 54 L HN 0.736 nan 8.230 nan 0.000 0.434 55 G N -1.404 107.454 108.800 0.097 0.000 2.497 55 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.686 55 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.686 55 G C -0.060 174.887 174.900 0.078 0.000 1.288 55 G CA -0.384 44.764 45.100 0.079 0.000 0.899 55 G HN 0.256 nan 8.290 nan 0.000 0.608 56 E N -0.180 120.060 120.200 0.066 0.000 2.637 56 E HA -0.252 4.097 4.350 -0.001 0.000 0.265 56 E C 0.724 177.376 176.600 0.086 0.000 1.073 56 E CA 0.673 57.120 56.400 0.078 0.000 0.778 56 E CB -1.037 28.715 29.700 0.087 0.000 1.362 56 E HN 1.208 nan 8.360 nan 0.000 0.413 57 N N -1.333 117.399 118.700 0.053 0.000 2.776 57 N HA -0.131 4.609 4.740 -0.001 0.000 0.250 57 N C -0.955 174.541 175.510 -0.023 0.000 1.112 57 N CA 1.908 54.951 53.050 -0.011 0.000 0.733 57 N CB -1.276 37.123 38.487 -0.147 0.000 1.097 57 N HN 0.317 nan 8.380 nan 0.000 0.558 58 T N -0.302 114.305 114.554 0.089 0.000 2.829 58 T HA 0.694 5.043 4.350 -0.001 0.000 0.280 58 T C 0.374 175.128 174.700 0.090 0.000 0.999 58 T CA -0.657 61.505 62.100 0.103 0.000 0.983 58 T CB 2.670 71.612 68.868 0.124 0.000 0.968 58 T HN 0.124 nan 8.240 nan 0.000 0.446 59 V N 0.888 120.841 119.914 0.066 0.000 2.769 59 V HA 0.736 4.856 4.120 -0.001 0.000 0.312 59 V C -0.411 175.674 176.094 -0.014 0.000 1.061 59 V CA -1.397 60.894 62.300 -0.015 0.000 0.931 59 V CB 1.899 33.686 31.823 -0.060 0.000 1.010 59 V HN 0.853 nan 8.190 nan 0.000 0.433 60 R N 2.198 122.673 120.500 -0.043 0.000 2.255 60 R HA 0.714 5.053 4.340 -0.001 0.000 0.326 60 R C -0.196 176.086 176.300 -0.031 0.000 0.986 60 R CA 0.235 56.320 56.100 -0.025 0.000 0.847 60 R CB 1.381 31.671 30.300 -0.018 0.000 1.111 60 R HN 1.151 nan 8.270 nan 0.000 0.452 61 T N 2.069 116.614 114.554 -0.014 0.000 2.916 61 T HA 0.560 4.909 4.350 -0.001 0.000 0.292 61 T C 0.252 174.949 174.700 -0.005 0.000 1.064 61 T CA -0.999 61.096 62.100 -0.009 0.000 1.011 61 T CB 1.280 70.153 68.868 0.009 0.000 1.152 61 T HN 0.568 nan 8.240 nan 0.000 0.510 62 I N -0.456 120.113 120.570 -0.002 0.000 2.562 62 I HA 0.852 5.021 4.170 -0.001 0.000 0.301 62 I C 0.112 176.231 176.117 0.004 0.000 1.003 62 I CA -1.544 59.755 61.300 -0.002 0.000 1.127 62 I CB 1.460 39.457 38.000 -0.005 0.000 1.304 62 I HN 0.891 nan 8.210 nan 0.000 0.446 63 A N 5.930 128.750 122.820 0.000 0.000 2.302 63 A HA 0.615 4.935 4.320 -0.001 0.000 0.285 63 A C 0.465 178.052 177.584 0.004 0.000 1.105 63 A CA -0.630 51.409 52.037 0.003 0.000 0.816 63 A CB 0.882 19.882 19.000 -0.000 0.000 1.067 63 A HN 0.860 nan 8.150 nan 0.000 0.489 64 M N 0.514 120.119 119.600 0.008 0.000 2.356 64 M HA 0.272 4.751 4.480 -0.001 0.000 0.262 64 M C -0.442 175.863 176.300 0.007 0.000 1.097 64 M CA 0.246 55.552 55.300 0.009 0.000 0.991 64 M CB -0.827 31.781 32.600 0.013 0.000 1.450 64 M HN 0.828 nan 8.290 nan 0.000 0.495 65 D N -1.254 119.148 120.400 0.005 0.000 2.725 65 D HA 0.456 5.095 4.640 -0.001 0.000 0.292 65 D C -0.397 175.904 176.300 0.001 0.000 1.288 65 D CA -0.142 53.860 54.000 0.003 0.000 0.784 65 D CB 1.013 41.815 40.800 0.005 0.000 1.308 65 D HN 0.117 nan 8.370 nan 0.000 0.429 66 G N -0.638 108.162 108.800 -0.001 0.000 2.368 66 G HA2 0.323 4.282 3.960 -0.001 0.000 0.233 66 G HA3 0.323 4.282 3.960 -0.001 0.000 0.233 66 G C 0.783 175.681 174.900 -0.003 0.000 1.267 66 G CA 0.780 45.879 45.100 -0.002 0.000 0.873 66 G HN 0.497 nan 8.290 nan 0.000 0.539 67 T N -1.304 113.248 114.554 -0.004 0.000 3.182 67 T HA 0.202 4.552 4.350 -0.001 0.000 0.277 67 T C 0.490 175.187 174.700 -0.006 0.000 1.013 67 T CA -0.217 61.880 62.100 -0.005 0.000 0.900 67 T CB 0.099 68.963 68.868 -0.006 0.000 1.098 67 T HN 0.619 nan 8.240 nan 0.000 0.543 68 E N 1.386 121.583 120.200 -0.005 0.000 2.166 68 E HA 0.438 4.788 4.350 -0.001 0.000 0.279 68 E C 0.893 177.489 176.600 -0.006 0.000 1.095 68 E CA 0.081 56.477 56.400 -0.006 0.000 0.888 68 E CB 0.445 30.142 29.700 -0.005 0.000 1.041 68 E HN 0.502 nan 8.360 nan 0.000 0.414 69 G N 3.257 112.053 108.800 -0.007 0.000 2.227 69 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.168 69 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.168 69 G C 0.016 174.911 174.900 -0.008 0.000 1.006 69 G CA -0.460 44.636 45.100 -0.007 0.000 0.684 69 G HN 0.455 nan 8.290 nan 0.000 0.489 70 L N 1.735 122.953 121.223 -0.009 0.000 2.367 70 L HA 0.556 4.895 4.340 -0.001 0.000 0.275 70 L C 0.479 177.341 176.870 -0.014 0.000 1.129 70 L CA -0.660 54.173 54.840 -0.012 0.000 0.839 70 L CB 1.464 43.515 42.059 -0.012 0.000 1.133 70 L HN -0.039 nan 8.230 nan 0.000 0.453 71 V N 3.918 123.823 119.914 -0.016 0.000 2.547 71 V HA 0.336 4.456 4.120 -0.001 0.000 0.299 71 V C 0.305 176.385 176.094 -0.024 0.000 1.040 71 V CA -0.916 61.373 62.300 -0.019 0.000 0.913 71 V CB 1.745 33.558 31.823 -0.017 0.000 0.992 71 V HN 0.666 nan 8.190 nan 0.000 0.449 72 R N 3.035 123.519 120.500 -0.027 0.000 2.413 72 R HA 0.418 4.757 4.340 -0.001 0.000 0.333 72 R C 1.029 177.305 176.300 -0.040 0.000 1.074 72 R CA 0.788 56.867 56.100 -0.035 0.000 0.982 72 R CB -0.182 30.097 30.300 -0.035 0.000 0.981 72 R HN 1.148 nan 8.270 nan 0.000 0.452 73 G N 2.182 110.955 108.800 -0.044 0.000 2.321 73 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.174 73 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.174 73 G C -0.115 174.761 174.900 -0.040 0.000 1.008 73 G CA -0.742 44.330 45.100 -0.047 0.000 0.739 73 G HN 0.518 nan 8.290 nan 0.000 0.502 74 E N 0.844 121.022 120.200 -0.037 0.000 2.392 74 E HA 0.220 4.569 4.350 -0.001 0.000 0.264 74 E C 0.361 176.941 176.600 -0.033 0.000 1.024 74 E CA -0.160 56.222 56.400 -0.029 0.000 0.903 74 E CB 0.982 30.669 29.700 -0.022 0.000 0.963 74 E HN 0.248 nan 8.360 nan 0.000 0.432 75 K N 2.280 122.668 120.400 -0.020 0.000 2.412 75 K HA 0.083 4.403 4.320 -0.001 0.000 0.284 75 K C -1.086 175.510 176.600 -0.006 0.000 1.046 75 K CA -0.106 56.173 56.287 -0.013 0.000 0.999 75 K CB 0.380 32.881 32.500 0.001 0.000 0.941 75 K HN 0.175 nan 8.250 nan 0.000 0.474 76 V N 6.289 126.197 119.914 -0.011 0.000 2.448 76 V HA 0.303 4.423 4.120 -0.001 0.000 0.295 76 V C -0.561 175.589 176.094 0.095 0.000 1.025 76 V CA -1.035 61.278 62.300 0.021 0.000 0.859 76 V CB 1.349 33.160 31.823 -0.020 0.000 0.988 76 V HN 0.643 nan 8.190 nan 0.000 0.431 77 L N 3.875 125.156 121.223 0.096 0.000 2.322 77 L HA 0.682 5.021 4.340 -0.001 0.000 0.279 77 L C -0.433 176.507 176.870 0.117 0.000 1.036 77 L CA 0.075 54.979 54.840 0.107 0.000 0.807 77 L CB 1.696 43.792 42.059 0.063 0.000 1.226 77 L HN 0.747 nan 8.230 nan 0.000 0.433 78 D N 1.081 121.543 120.400 0.104 0.000 2.232 78 D HA 0.230 4.869 4.640 -0.001 0.000 0.242 78 D C 0.933 177.247 176.300 0.024 0.000 1.093 78 D CA 0.175 54.205 54.000 0.050 0.000 0.845 78 D CB 1.575 42.360 40.800 -0.025 0.000 1.124 78 D HN 0.712 nan 8.370 nan 0.000 0.467 79 T N 0.947 115.514 114.554 0.021 0.000 2.995 79 T HA 0.204 4.554 4.350 -0.001 0.000 0.269 79 T C 1.581 176.283 174.700 0.005 0.000 1.091 79 T CA 0.782 62.892 62.100 0.015 0.000 1.128 79 T CB -0.107 68.773 68.868 0.020 0.000 0.891 79 T HN 0.712 nan 8.240 nan 0.000 0.492 80 G N 0.485 109.281 108.800 -0.008 0.000 2.399 80 G HA2 0.017 3.976 3.960 -0.001 0.000 0.216 80 G HA3 0.017 3.976 3.960 -0.001 0.000 0.216 80 G C 0.403 175.296 174.900 -0.011 0.000 1.096 80 G CA -0.158 44.932 45.100 -0.017 0.000 0.650 80 G HN 1.111 nan 8.290 nan 0.000 0.512 81 G N 0.161 108.964 108.800 0.004 0.000 3.211 81 G HA2 0.787 4.746 3.960 -0.001 0.000 0.262 81 G HA3 0.787 4.746 3.960 -0.001 0.000 0.262 81 G C -2.938 171.983 174.900 0.034 0.000 1.352 81 G CA -0.515 44.595 45.100 0.016 0.000 1.004 81 G HN 0.323 nan 8.290 nan 0.000 0.559 82 P HA 0.286 nan 4.420 nan 0.000 0.286 82 P C -0.272 177.077 177.300 0.083 0.000 1.293 82 P CA -0.600 62.569 63.100 0.115 0.000 0.770 82 P CB 0.435 32.270 31.700 0.225 0.000 1.206 83 I N 0.066 120.688 120.570 0.087 0.000 2.664 83 I HA -0.019 4.151 4.170 -0.001 0.000 0.284 83 I C 0.776 176.902 176.117 0.014 0.000 1.154 83 I CA 1.182 62.504 61.300 0.035 0.000 1.402 83 I CB -1.012 36.997 38.000 0.015 0.000 1.395 83 I HN 0.205 nan 8.210 nan 0.000 0.545 84 S N 6.319 122.025 115.700 0.011 0.000 2.525 84 S HA 0.880 5.349 4.470 -0.001 0.000 0.290 84 S C -0.305 174.290 174.600 -0.007 0.000 1.152 84 S CA -0.821 57.381 58.200 0.003 0.000 1.072 84 S CB 1.898 65.102 63.200 0.007 0.000 1.027 84 S HN 0.564 nan 8.310 nan 0.000 0.500 85 V N -1.903 118.002 119.914 -0.015 0.000 2.876 85 V HA 0.763 4.883 4.120 -0.001 0.000 0.312 85 V C -3.016 173.057 176.094 -0.036 0.000 1.085 85 V CA -2.968 59.319 62.300 -0.021 0.000 0.945 85 V CB 1.656 33.466 31.823 -0.021 0.000 1.017 85 V HN 0.788 nan 8.190 nan 0.000 0.428 86 P HA 0.227 nan 4.420 nan 0.000 0.267 86 P C -0.123 177.118 177.300 -0.098 0.000 1.209 86 P CA 0.327 63.384 63.100 -0.071 0.000 0.763 86 P CB 1.172 32.840 31.700 -0.054 0.000 0.816 87 V N 0.582 120.382 119.914 -0.190 0.000 3.234 87 V HA 0.987 5.106 4.120 -0.001 0.000 0.317 87 V C 0.395 176.213 176.094 -0.460 0.000 1.147 87 V CA -0.127 61.992 62.300 -0.301 0.000 1.037 87 V CB 0.788 32.339 31.823 -0.452 0.000 1.148 87 V HN 0.956 nan 8.190 nan 0.000 0.455 88 G N 0.855 109.290 108.800 -0.609 0.000 2.566 88 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.599 88 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.599 88 G C -0.005 174.838 174.900 -0.094 0.000 1.292 88 G CA 0.045 44.794 45.100 -0.584 0.000 0.922 88 G HN 0.932 nan 8.290 nan 0.000 0.514 89 R N -0.027 120.437 120.500 -0.060 0.000 2.280 89 R HA 0.029 4.369 4.340 -0.001 0.000 0.207 89 R C 2.027 178.308 176.300 -0.030 0.000 1.043 89 R CA 1.226 57.354 56.100 0.046 0.000 1.006 89 R CB -0.012 30.280 30.300 -0.014 0.000 0.885 89 R HN 0.503 nan 8.270 nan 0.000 0.467 90 E N 0.423 120.596 120.200 -0.044 0.000 2.478 90 E HA -0.094 4.255 4.350 -0.001 0.000 0.198 90 E C 1.424 178.004 176.600 -0.033 0.000 1.046 90 E CA 1.205 57.580 56.400 -0.042 0.000 0.870 90 E CB 0.128 29.796 29.700 -0.052 0.000 0.818 90 E HN 0.351 nan 8.360 nan 0.000 0.527 91 T N -2.398 112.143 114.554 -0.022 0.000 3.057 91 T HA 0.130 4.479 4.350 -0.001 0.000 0.254 91 T C 0.875 175.554 174.700 -0.035 0.000 1.094 91 T CA -0.290 61.800 62.100 -0.017 0.000 1.088 91 T CB -0.179 68.693 68.868 0.006 0.000 0.934 91 T HN -0.002 nan 8.240 nan 0.000 0.497 92 L N 2.362 123.539 121.223 -0.076 0.000 2.628 92 L HA 0.345 4.684 4.340 -0.001 0.000 0.274 92 L C 1.495 178.347 176.870 -0.031 0.000 1.209 92 L CA 1.087 55.860 54.840 -0.111 0.000 0.930 92 L CB -0.219 41.706 42.059 -0.222 0.000 1.183 92 L HN 0.621 nan 8.230 nan 0.000 0.492 93 G N 2.427 111.232 108.800 0.009 0.000 2.182 93 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.248 93 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.248 93 G C 0.032 174.977 174.900 0.075 0.000 1.042 93 G CA -0.417 44.726 45.100 0.073 0.000 0.775 93 G HN 0.487 nan 8.290 nan 0.000 0.501 94 R N -1.123 119.394 120.500 0.027 0.000 2.795 94 R HA 0.690 5.029 4.340 -0.001 0.000 0.275 94 R C -0.592 175.690 176.300 -0.030 0.000 0.981 94 R CA -1.151 54.943 56.100 -0.009 0.000 0.917 94 R CB 1.231 31.525 30.300 -0.009 0.000 1.202 94 R HN 0.122 nan 8.270 nan 0.000 0.469 95 I N 3.127 123.654 120.570 -0.072 0.000 2.312 95 I HA 0.401 4.571 4.170 -0.001 0.000 0.290 95 I C 0.125 176.250 176.117 0.013 0.000 1.008 95 I CA 0.004 61.292 61.300 -0.020 0.000 1.226 95 I CB 0.768 38.707 38.000 -0.101 0.000 1.371 95 I HN 0.348 nan 8.210 nan 0.000 0.468 96 I N 6.126 126.724 120.570 0.045 0.000 2.646 96 I HA 0.482 4.652 4.170 -0.001 0.000 0.299 96 I C -0.248 175.899 176.117 0.051 0.000 1.036 96 I CA -0.957 60.360 61.300 0.028 0.000 1.074 96 I CB 1.804 39.807 38.000 0.006 0.000 1.258 96 I HN 0.575 nan 8.210 nan 0.000 0.430 97 N N 3.999 122.721 118.700 0.038 0.000 2.538 97 N HA 0.155 4.895 4.740 -0.001 0.000 0.292 97 N C 0.710 176.234 175.510 0.023 0.000 1.262 97 N CA -0.773 52.304 53.050 0.045 0.000 0.976 97 N CB 0.797 39.306 38.487 0.038 0.000 1.161 97 N HN 0.441 nan 8.380 nan 0.000 0.598 98 V N 0.172 120.100 119.914 0.023 0.000 2.324 98 V HA -0.203 3.917 4.120 -0.001 0.000 0.250 98 V C 1.868 177.963 176.094 0.001 0.000 1.060 98 V CA 2.235 64.540 62.300 0.008 0.000 1.042 98 V CB -0.868 30.962 31.823 0.012 0.000 0.650 98 V HN 0.679 nan 8.190 nan 0.000 0.450 99 I N -2.166 118.408 120.570 0.006 0.000 3.251 99 I HA 0.383 4.553 4.170 -0.001 0.000 0.277 99 I C 1.658 177.775 176.117 0.001 0.000 1.268 99 I CA 1.102 62.405 61.300 0.005 0.000 1.449 99 I CB -0.185 37.821 38.000 0.009 0.000 1.083 99 I HN 0.450 nan 8.210 nan 0.000 0.464 100 G N 1.823 110.623 108.800 -0.000 0.000 2.238 100 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.217 100 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.217 100 G C 0.164 175.061 174.900 -0.004 0.000 0.996 100 G CA 0.151 45.248 45.100 -0.005 0.000 0.632 100 G HN 0.786 nan 8.290 nan 0.000 0.503 101 E N 1.585 121.784 120.200 -0.000 0.000 2.373 101 E HA 0.511 4.860 4.350 -0.001 0.000 0.267 101 E C -2.688 173.911 176.600 -0.002 0.000 1.032 101 E CA -1.730 54.669 56.400 -0.002 0.000 0.889 101 E CB 0.745 30.445 29.700 0.000 0.000 0.984 101 E HN 0.204 nan 8.360 nan 0.000 0.425 102 P HA 0.065 nan 4.420 nan 0.000 0.271 102 P C -0.471 176.822 177.300 -0.012 0.000 1.226 102 P CA 0.032 63.126 63.100 -0.010 0.000 0.765 102 P CB 0.245 31.938 31.700 -0.012 0.000 0.835 103 I N 0.160 120.720 120.570 -0.017 0.000 2.934 103 I HA 0.409 4.578 4.170 -0.001 0.000 0.312 103 I C -0.333 175.746 176.117 -0.062 0.000 1.342 103 I CA -0.340 60.944 61.300 -0.027 0.000 0.946 103 I CB 0.430 38.422 38.000 -0.013 0.000 2.034 103 I HN 0.126 nan 8.210 nan 0.000 0.604 104 D N 0.500 120.862 120.400 -0.063 0.000 2.530 104 D HA -0.024 4.615 4.640 -0.001 0.000 0.253 104 D C 0.267 176.548 176.300 -0.031 0.000 1.338 104 D CA -0.144 53.801 54.000 -0.091 0.000 0.806 104 D CB 0.106 40.818 40.800 -0.147 0.000 1.160 104 D HN 0.257 nan 8.370 nan 0.000 0.514 105 E N 0.613 120.802 120.200 -0.018 0.000 2.389 105 E HA -0.230 4.119 4.350 -0.001 0.000 0.243 105 E C 0.032 176.637 176.600 0.008 0.000 1.154 105 E CA 0.377 56.776 56.400 -0.001 0.000 0.723 105 E CB -1.591 28.112 29.700 0.006 0.000 1.261 105 E HN 0.557 nan 8.360 nan 0.000 0.390 106 R N -0.241 120.261 120.500 0.004 0.000 2.662 106 R HA 0.292 4.632 4.340 -0.001 0.000 0.396 106 R C 0.854 177.157 176.300 0.005 0.000 1.096 106 R CA 0.355 56.461 56.100 0.011 0.000 1.081 106 R CB 0.922 31.232 30.300 0.017 0.000 1.382 106 R HN 0.344 nan 8.270 nan 0.000 0.580 107 G N 2.398 111.199 108.800 0.002 0.000 2.888 107 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.441 107 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.441 107 G C -2.511 172.387 174.900 -0.003 0.000 1.461 107 G CA -1.156 43.944 45.100 -0.000 0.000 0.897 107 G HN 0.044 nan 8.290 nan 0.000 0.547 108 P HA 0.250 nan 4.420 nan 0.000 0.264 108 P C 0.457 177.751 177.300 -0.010 0.000 1.193 108 P CA 0.015 63.110 63.100 -0.007 0.000 0.763 108 P CB 0.288 31.984 31.700 -0.006 0.000 0.810 109 I N 3.835 124.397 120.570 -0.014 0.000 2.421 109 I HA 0.021 4.191 4.170 -0.001 0.000 0.291 109 I C 0.997 177.099 176.117 -0.024 0.000 1.089 109 I CA 0.024 61.313 61.300 -0.019 0.000 1.354 109 I CB -0.036 37.949 38.000 -0.024 0.000 1.413 109 I HN 0.142 nan 8.210 nan 0.000 0.513 110 K N 5.144 125.530 120.400 -0.022 0.000 2.054 110 K HA 0.112 4.432 4.320 -0.001 0.000 0.242 110 K C 0.183 176.760 176.600 -0.038 0.000 1.157 110 K CA -0.056 56.216 56.287 -0.025 0.000 1.079 110 K CB 0.251 32.740 32.500 -0.018 0.000 1.331 110 K HN 0.520 nan 8.250 nan 0.000 0.317 111 S N 1.738 117.408 115.700 -0.050 0.000 2.578 111 S HA 0.145 4.615 4.470 -0.001 0.000 0.283 111 S C 1.109 175.662 174.600 -0.078 0.000 1.195 111 S CA -0.758 57.395 58.200 -0.079 0.000 1.050 111 S CB 1.476 64.618 63.200 -0.097 0.000 1.012 111 S HN 0.618 nan 8.310 nan 0.000 0.511 112 K N 3.246 123.585 120.400 -0.100 0.000 1.963 112 K HA 0.051 4.371 4.320 -0.001 0.000 0.216 112 K C 0.682 177.240 176.600 -0.070 0.000 1.045 112 K CA 1.163 57.405 56.287 -0.075 0.000 0.954 112 K CB -0.264 32.193 32.500 -0.072 0.000 0.732 112 K HN 0.694 nan 8.250 nan 0.000 0.442 113 L N -0.760 120.398 121.223 -0.108 0.000 2.874 113 L HA 0.374 4.713 4.340 -0.001 0.000 0.229 113 L C 0.217 177.037 176.870 -0.083 0.000 1.200 113 L CA -0.869 53.931 54.840 -0.067 0.000 0.976 113 L CB 0.628 42.678 42.059 -0.014 0.000 1.887 113 L HN 0.220 nan 8.230 nan 0.000 0.543 114 R N 0.692 121.164 120.500 -0.047 0.000 3.090 114 R HA 0.167 4.507 4.340 -0.001 0.000 0.264 114 R C -1.675 174.622 176.300 -0.005 0.000 1.380 114 R CA -0.400 55.676 56.100 -0.039 0.000 0.952 114 R CB 0.610 30.893 30.300 -0.029 0.000 1.428 114 R HN 0.468 nan 8.270 nan 0.000 0.371 115 K N 4.093 124.496 120.400 0.005 0.000 2.118 115 K HA 0.416 4.736 4.320 -0.001 0.000 0.267 115 K C -2.259 174.353 176.600 0.021 0.000 0.991 115 K CA -1.917 54.389 56.287 0.033 0.000 0.916 115 K CB 1.322 33.864 32.500 0.071 0.000 1.041 115 K HN 0.289 nan 8.250 nan 0.000 0.455 116 P HA -0.042 nan 4.420 nan 0.000 0.269 116 P C 0.815 178.119 177.300 0.006 0.000 1.209 116 P CA -0.161 62.956 63.100 0.028 0.000 0.776 116 P CB 0.457 32.192 31.700 0.058 0.000 0.876 117 I N 0.349 120.889 120.570 -0.051 0.000 2.439 117 I HA -0.046 4.123 4.170 -0.001 0.000 0.251 117 I C 0.583 176.609 176.117 -0.151 0.000 1.139 117 I CA 1.245 62.469 61.300 -0.127 0.000 1.438 117 I CB -1.641 36.234 38.000 -0.208 0.000 1.085 117 I HN 0.266 nan 8.210 nan 0.000 0.427 118 H N 3.273 122.354 119.070 0.018 0.000 2.878 118 H HA 0.666 5.221 4.556 -0.001 0.000 0.290 118 H C -0.191 175.146 175.328 0.015 0.000 1.065 118 H CA 0.317 56.376 56.048 0.018 0.000 1.477 118 H CB 0.754 30.526 29.762 0.017 0.000 1.484 118 H HN 0.472 nan 8.280 nan 0.000 0.504 119 A N 4.092 126.983 122.820 0.119 0.000 2.547 119 A HA 0.255 4.574 4.320 -0.001 0.000 0.297 119 A C -0.762 176.855 177.584 0.056 0.000 1.056 119 A CA -0.991 51.088 52.037 0.070 0.000 0.688 119 A CB 1.493 20.519 19.000 0.043 0.000 1.282 119 A HN 0.544 nan 8.150 nan 0.000 0.400 120 D N 2.582 123.007 120.400 0.043 0.000 2.350 120 D HA 0.423 5.063 4.640 -0.001 0.000 0.249 120 D C -2.114 174.201 176.300 0.025 0.000 1.119 120 D CA -0.242 53.779 54.000 0.035 0.000 0.886 120 D CB 0.807 41.624 40.800 0.029 0.000 1.195 120 D HN 0.245 nan 8.370 nan 0.000 0.437 121 P HA 0.189 nan 4.420 nan 0.000 0.272 121 P C -2.502 174.807 177.300 0.015 0.000 1.223 121 P CA -1.011 62.098 63.100 0.015 0.000 0.784 121 P CB -0.339 31.374 31.700 0.021 0.000 0.923 122 P HA 0.010 nan 4.420 nan 0.000 0.260 122 P C 0.312 177.620 177.300 0.015 0.000 1.185 122 P CA 0.411 63.510 63.100 -0.001 0.000 0.763 122 P CB 0.186 31.874 31.700 -0.020 0.000 0.776 123 S N 2.843 118.561 115.700 0.031 0.000 2.587 123 S HA 0.024 4.493 4.470 -0.001 0.000 0.260 123 S C 1.056 175.710 174.600 0.091 0.000 1.353 123 S CA -0.411 57.832 58.200 0.072 0.000 0.995 123 S CB -0.095 63.149 63.200 0.072 0.000 0.912 123 S HN 0.406 nan 8.310 nan 0.000 0.568 124 F N 2.101 122.049 119.950 -0.002 0.000 2.161 124 F HA -0.090 4.437 4.527 -0.001 0.000 0.300 124 F C 2.276 178.073 175.800 -0.005 0.000 1.089 124 F CA 1.972 59.971 58.000 -0.003 0.000 1.282 124 F CB -0.773 38.226 39.000 -0.002 0.000 1.010 124 F HN 0.671 nan 8.300 nan 0.000 0.485 125 A N -0.164 122.763 122.820 0.178 0.000 1.902 125 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 125 A C 2.029 179.609 177.584 -0.006 0.000 1.181 125 A CA 1.845 53.935 52.037 0.090 0.000 0.623 125 A CB -0.773 18.280 19.000 0.088 0.000 0.818 125 A HN 0.540 nan 8.150 nan 0.000 0.443 126 E N -0.062 120.130 120.200 -0.013 0.000 2.358 126 E HA -0.043 4.307 4.350 -0.001 0.000 0.195 126 E C 0.266 176.820 176.600 -0.076 0.000 1.010 126 E CA -0.060 56.318 56.400 -0.036 0.000 0.856 126 E CB 0.041 29.728 29.700 -0.021 0.000 0.795 126 E HN 0.528 nan 8.360 nan 0.000 0.504 127 Q N 1.067 120.789 119.800 -0.131 0.000 2.395 127 Q HA 0.051 4.391 4.340 -0.001 0.000 0.271 127 Q C -0.013 175.882 176.000 -0.176 0.000 1.026 127 Q CA 0.207 55.900 55.803 -0.184 0.000 0.900 127 Q CB 1.403 29.947 28.738 -0.324 0.000 1.266 127 Q HN 0.016 nan 8.270 nan 0.000 0.430 128 S N 0.458 116.076 115.700 -0.138 0.000 2.576 128 S HA 0.080 4.550 4.470 -0.001 0.000 0.276 128 S C 1.269 175.790 174.600 -0.131 0.000 1.339 128 S CA 0.170 58.303 58.200 -0.111 0.000 1.039 128 S CB 0.557 63.708 63.200 -0.082 0.000 0.902 128 S HN 0.695 nan 8.310 nan 0.000 0.516 129 T N 1.349 115.842 114.554 -0.101 0.000 3.009 129 T HA 0.218 4.568 4.350 -0.001 0.000 0.258 129 T C 0.543 175.204 174.700 -0.065 0.000 1.063 129 T CA 0.099 62.143 62.100 -0.092 0.000 1.139 129 T CB -0.068 68.762 68.868 -0.064 0.000 0.890 129 T HN 0.375 nan 8.240 nan 0.000 0.471 130 S N 0.938 116.606 115.700 -0.053 0.000 2.532 130 S HA 0.779 5.248 4.470 -0.001 0.000 0.301 130 S C -0.479 174.098 174.600 -0.039 0.000 1.083 130 S CA -0.888 57.288 58.200 -0.039 0.000 1.025 130 S CB 1.670 64.853 63.200 -0.028 0.000 1.056 130 S HN 0.696 nan 8.310 nan 0.000 0.494 131 A N 2.535 125.336 122.820 -0.032 0.000 2.289 131 A HA 0.645 4.964 4.320 -0.001 0.000 0.298 131 A C 0.181 177.750 177.584 -0.026 0.000 1.208 131 A CA -0.618 51.400 52.037 -0.031 0.000 0.845 131 A CB 0.164 19.148 19.000 -0.026 0.000 1.125 131 A HN 0.860 nan 8.150 nan 0.000 0.517 132 E N 2.295 122.478 120.200 -0.028 0.000 2.428 132 E HA 0.729 5.079 4.350 -0.001 0.000 0.259 132 E C -1.082 175.504 176.600 -0.024 0.000 0.930 132 E CA -0.947 55.438 56.400 -0.025 0.000 0.823 132 E CB 0.953 30.639 29.700 -0.022 0.000 1.403 132 E HN 0.350 nan 8.360 nan 0.000 0.415 133 I N 0.859 121.415 120.570 -0.023 0.000 2.648 133 I HA 0.334 4.503 4.170 -0.001 0.000 0.304 133 I C -0.654 175.454 176.117 -0.016 0.000 1.009 133 I CA -0.972 60.317 61.300 -0.017 0.000 1.114 133 I CB 1.435 39.413 38.000 -0.038 0.000 1.293 133 I HN 0.484 nan 8.210 nan 0.000 0.449 134 L N 4.481 125.695 121.223 -0.015 0.000 2.319 134 L HA 0.389 4.728 4.340 -0.001 0.000 0.281 134 L C 0.089 176.942 176.870 -0.030 0.000 1.005 134 L CA -0.194 54.599 54.840 -0.078 0.000 0.828 134 L CB 0.920 42.912 42.059 -0.113 0.000 1.227 134 L HN 0.494 nan 8.230 nan 0.000 0.415 135 E N 2.223 122.486 120.200 0.105 0.000 2.417 135 E HA 0.046 4.395 4.350 -0.001 0.000 0.261 135 E C 0.433 177.067 176.600 0.057 0.000 1.000 135 E CA 0.702 57.189 56.400 0.146 0.000 0.919 135 E CB 0.703 30.552 29.700 0.249 0.000 0.955 135 E HN 0.742 nan 8.360 nan 0.000 0.455 136 T N -0.016 114.493 114.554 -0.076 0.000 3.023 136 T HA 0.208 4.557 4.350 -0.001 0.000 0.253 136 T C 1.381 176.004 174.700 -0.128 0.000 1.038 136 T CA 0.146 62.142 62.100 -0.173 0.000 0.962 136 T CB 0.373 69.016 68.868 -0.376 0.000 1.018 136 T HN 0.663 nan 8.240 nan 0.000 0.521 137 G N 1.652 110.416 108.800 -0.059 0.000 2.179 137 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.257 137 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.257 137 G C -0.039 174.854 174.900 -0.013 0.000 1.010 137 G CA 0.501 45.581 45.100 -0.034 0.000 0.736 137 G HN 0.694 nan 8.290 nan 0.000 0.513 138 I N -0.972 119.580 120.570 -0.030 0.000 2.530 138 I HA 0.334 4.504 4.170 -0.001 0.000 0.297 138 I C 1.326 177.453 176.117 0.016 0.000 1.011 138 I CA -1.111 60.209 61.300 0.032 0.000 1.107 138 I CB 1.749 39.756 38.000 0.012 0.000 1.285 138 I HN -0.081 nan 8.210 nan 0.000 0.436 139 K N 2.731 123.142 120.400 0.019 0.000 2.007 139 K HA -0.062 4.257 4.320 -0.001 0.000 0.206 139 K C 1.695 178.279 176.600 -0.028 0.000 1.047 139 K CA 1.128 57.413 56.287 -0.004 0.000 0.937 139 K CB -0.014 32.451 32.500 -0.059 0.000 0.718 139 K HN 0.485 nan 8.250 nan 0.000 0.438 140 V N 1.266 121.177 119.914 -0.004 0.000 2.343 140 V HA -0.221 3.898 4.120 -0.001 0.000 0.247 140 V C 2.338 178.439 176.094 0.011 0.000 1.051 140 V CA 1.496 63.792 62.300 -0.006 0.000 1.036 140 V CB -0.569 31.283 31.823 0.049 0.000 0.654 140 V HN 0.059 nan 8.190 nan 0.000 0.451 141 V N 0.327 120.264 119.914 0.039 0.000 2.221 141 V HA -0.226 3.893 4.120 -0.001 0.000 0.242 141 V C 2.306 178.400 176.094 0.000 0.000 1.041 141 V CA 2.244 64.557 62.300 0.022 0.000 0.995 141 V CB -0.799 30.961 31.823 -0.105 0.000 0.635 141 V HN 0.493 nan 8.190 nan 0.000 0.448 142 D N -0.295 120.089 120.400 -0.028 0.000 2.271 142 D HA -0.149 4.491 4.640 -0.001 0.000 0.207 142 D C 1.772 178.145 176.300 0.121 0.000 0.983 142 D CA 1.229 55.238 54.000 0.016 0.000 0.878 142 D CB 0.056 40.865 40.800 0.015 0.000 0.920 142 D HN 0.352 nan 8.370 nan 0.000 0.479 143 L N -0.396 120.860 121.223 0.055 0.000 2.276 143 L HA 0.097 4.437 4.340 -0.001 0.000 0.194 143 L C 2.041 178.911 176.870 0.001 0.000 1.099 143 L CA 0.983 55.824 54.840 0.001 0.000 0.800 143 L CB -0.388 41.491 42.059 -0.301 0.000 0.994 143 L HN -0.114 nan 8.230 nan 0.000 0.475 144 L N -0.256 120.934 121.223 -0.054 0.000 2.162 144 L HA 0.228 4.567 4.340 -0.001 0.000 0.205 144 L C 0.819 177.705 176.870 0.026 0.000 1.086 144 L CA 0.692 55.505 54.840 -0.045 0.000 0.778 144 L CB -0.328 41.691 42.059 -0.065 0.000 0.928 144 L HN 0.332 nan 8.230 nan 0.000 0.446 145 A N 0.311 123.174 122.820 0.072 0.000 3.370 145 A HA 0.422 4.741 4.320 -0.001 0.000 0.295 145 A C -2.566 175.131 177.584 0.189 0.000 1.030 145 A CA -1.024 51.087 52.037 0.122 0.000 0.883 145 A CB -0.210 18.877 19.000 0.146 0.000 1.191 145 A HN -0.137 nan 8.150 nan 0.000 0.507 146 P HA 0.016 nan 4.420 nan 0.000 0.264 146 P C -0.816 176.631 177.300 0.246 0.000 1.193 146 P CA 0.505 63.681 63.100 0.127 0.000 0.763 146 P CB 0.354 32.067 31.700 0.022 0.000 0.810 147 Y N 1.508 121.799 120.300 -0.016 0.000 2.442 147 Y HA 0.218 4.768 4.550 -0.001 0.000 0.330 147 Y C 1.281 177.149 175.900 -0.054 0.000 1.129 147 Y CA -1.076 57.004 58.100 -0.033 0.000 1.365 147 Y CB -0.096 38.338 38.460 -0.042 0.000 1.233 147 Y HN 0.393 nan 8.280 nan 0.000 0.529 148 A N 5.652 128.494 122.820 0.037 0.000 2.395 148 A HA 0.251 4.571 4.320 -0.001 0.000 0.286 148 A C 0.673 178.237 177.584 -0.033 0.000 1.193 148 A CA -0.705 51.325 52.037 -0.012 0.000 0.852 148 A CB -0.294 18.680 19.000 -0.043 0.000 1.118 148 A HN 0.820 nan 8.150 nan 0.000 0.524 149 R N 2.711 123.191 120.500 -0.032 0.000 2.513 149 R HA 0.223 4.562 4.340 -0.001 0.000 0.333 149 R C 1.148 177.407 176.300 -0.069 0.000 0.925 149 R CA 1.461 57.526 56.100 -0.059 0.000 1.072 149 R CB -0.376 29.887 30.300 -0.061 0.000 0.914 149 R HN 1.678 nan 8.270 nan 0.000 0.408 150 G N 2.533 111.283 108.800 -0.084 0.000 2.160 150 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.244 150 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.244 150 G C 0.114 174.959 174.900 -0.091 0.000 1.022 150 G CA -0.080 44.968 45.100 -0.086 0.000 0.741 150 G HN 0.949 nan 8.290 nan 0.000 0.508 151 G N -1.106 107.630 108.800 -0.106 0.000 3.075 151 G HA2 0.744 4.704 3.960 -0.001 0.000 0.253 151 G HA3 0.744 4.704 3.960 -0.001 0.000 0.253 151 G C -0.754 174.050 174.900 -0.161 0.000 1.353 151 G CA -0.837 44.195 45.100 -0.113 0.000 1.051 151 G HN 0.326 nan 8.290 nan 0.000 0.553 152 K N -0.583 119.718 120.400 -0.164 0.000 2.244 152 K HA 0.662 4.981 4.320 -0.001 0.000 0.260 152 K C -1.135 175.302 176.600 -0.272 0.000 0.951 152 K CA -0.261 55.901 56.287 -0.208 0.000 0.826 152 K CB 1.998 34.406 32.500 -0.153 0.000 1.108 152 K HN 0.199 nan 8.250 nan 0.000 0.433 153 I N 1.597 121.959 120.570 -0.347 0.000 2.447 153 I HA 0.369 4.539 4.170 -0.001 0.000 0.287 153 I C 0.356 176.259 176.117 -0.356 0.000 1.023 153 I CA -0.370 60.676 61.300 -0.423 0.000 1.083 153 I CB 2.096 39.659 38.000 -0.728 0.000 1.245 153 I HN 0.643 nan 8.210 nan 0.000 0.434 154 G N 5.588 114.175 108.800 -0.354 0.000 2.420 154 G HA2 0.595 4.554 3.960 -0.001 0.000 0.284 154 G HA3 0.595 4.554 3.960 -0.001 0.000 0.284 154 G C -1.293 173.307 174.900 -0.500 0.000 1.177 154 G CA -0.263 44.548 45.100 -0.481 0.000 0.841 154 G HN 0.434 nan 8.290 nan 0.000 0.527 155 L N 1.157 121.983 121.223 -0.663 0.000 2.410 155 L HA 0.777 5.117 4.340 -0.001 0.000 0.270 155 L C -1.380 175.081 176.870 -0.682 0.000 0.983 155 L CA -0.769 53.784 54.840 -0.479 0.000 0.822 155 L CB 1.566 43.504 42.059 -0.202 0.000 1.285 155 L HN 0.431 nan 8.230 nan 0.000 0.409 156 F N 2.337 122.257 119.950 -0.050 0.000 2.579 156 F HA 0.878 5.405 4.527 -0.000 0.000 0.324 156 F C 0.741 176.516 175.800 -0.041 0.000 1.058 156 F CA -0.467 57.517 58.000 -0.028 0.000 0.944 156 F CB 2.163 41.151 39.000 -0.020 0.000 1.245 156 F HN 0.675 nan 8.300 nan 0.000 0.477 157 G N 0.519 109.424 108.800 0.174 0.000 3.055 157 G HA2 0.339 4.299 3.960 -0.001 0.000 0.686 157 G HA3 0.339 4.299 3.960 -0.001 0.000 0.686 157 G C -0.058 174.882 174.900 0.065 0.000 1.087 157 G CA -0.643 44.508 45.100 0.085 0.000 0.779 157 G HN 1.152 nan 8.290 nan 0.000 0.599 158 G N 0.822 109.662 108.800 0.067 0.000 3.152 158 G HA2 0.850 4.809 3.960 -0.001 0.000 0.157 158 G HA3 0.850 4.809 3.960 -0.001 0.000 0.157 158 G C 1.057 175.990 174.900 0.055 0.000 1.786 158 G CA 0.962 46.105 45.100 0.072 0.000 1.055 158 G HN 2.151 nan 8.290 nan 0.000 0.528 159 A N -2.582 120.271 122.820 0.055 0.000 2.240 159 A HA 0.579 4.898 4.320 -0.001 0.000 0.292 159 A C 1.469 179.077 177.584 0.040 0.000 1.121 159 A CA 0.812 52.878 52.037 0.049 0.000 0.851 159 A CB -0.123 18.907 19.000 0.049 0.000 1.167 159 A HN 2.359 nan 8.150 nan 0.000 0.503 160 G N -2.580 106.246 108.800 0.044 0.000 2.162 160 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.260 160 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.260 160 G C 0.560 175.475 174.900 0.024 0.000 0.976 160 G CA 1.151 46.278 45.100 0.045 0.000 0.655 160 G HN 2.173 nan 8.290 nan 0.000 0.533 161 V N -3.777 116.145 119.914 0.013 0.000 3.330 161 V HA 0.687 4.807 4.120 -0.001 0.000 0.309 161 V C 1.519 177.600 176.094 -0.022 0.000 1.481 161 V CA 0.845 63.116 62.300 -0.047 0.000 1.068 161 V CB 0.135 31.927 31.823 -0.052 0.000 0.935 161 V HN 2.139 nan 8.190 nan 0.000 0.453 162 G N 1.705 110.553 108.800 0.080 0.000 2.256 162 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.272 162 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.272 162 G C 0.689 175.693 174.900 0.173 0.000 1.076 162 G CA 0.855 46.059 45.100 0.174 0.000 0.882 162 G HN 0.633 nan 8.290 nan 0.000 0.497 163 K N -0.721 119.742 120.400 0.106 0.000 2.031 163 K HA -0.062 4.258 4.320 -0.001 0.000 0.205 163 K C 2.631 179.314 176.600 0.138 0.000 1.049 163 K CA 1.783 58.140 56.287 0.117 0.000 0.939 163 K CB -0.263 32.276 32.500 0.065 0.000 0.717 163 K HN 0.347 nan 8.250 nan 0.000 0.438 164 T N 0.813 115.409 114.554 0.070 0.000 2.778 164 T HA -0.126 4.223 4.350 -0.001 0.000 0.269 164 T C 1.824 176.516 174.700 -0.013 0.000 1.050 164 T CA 1.432 63.532 62.100 0.001 0.000 1.137 164 T CB -0.127 68.720 68.868 -0.035 0.000 0.860 164 T HN 0.008 nan 8.240 nan 0.000 0.468 165 V N 0.540 120.484 119.914 0.051 0.000 2.346 165 V HA -0.011 4.109 4.120 -0.001 0.000 0.244 165 V C 1.901 178.042 176.094 0.078 0.000 1.037 165 V CA 1.135 63.472 62.300 0.062 0.000 1.029 165 V CB -0.786 31.125 31.823 0.147 0.000 0.663 165 V HN 0.378 nan 8.190 nan 0.000 0.454 166 F N 0.883 120.857 119.950 0.040 0.000 2.063 166 F HA -0.298 4.229 4.527 -0.001 0.000 0.298 166 F C 2.067 177.798 175.800 -0.116 0.000 1.109 166 F CA 2.146 60.144 58.000 -0.003 0.000 1.212 166 F CB -0.252 38.797 39.000 0.083 0.000 0.973 166 F HN 0.067 nan 8.300 nan 0.000 0.480 167 I N 0.548 121.178 120.570 0.101 0.000 2.179 167 I HA -0.324 3.845 4.170 -0.001 0.000 0.242 167 I C 2.432 178.379 176.117 -0.283 0.000 1.088 167 I CA 1.621 62.839 61.300 -0.137 0.000 1.357 167 I CB -1.003 36.850 38.000 -0.246 0.000 1.051 167 I HN 0.240 nan 8.210 nan 0.000 0.409 168 Q N -0.406 119.257 119.800 -0.227 0.000 2.170 168 Q HA -0.275 4.064 4.340 -0.001 0.000 0.203 168 Q C 2.146 178.015 176.000 -0.218 0.000 0.976 168 Q CA 1.603 57.286 55.803 -0.200 0.000 0.858 168 Q CB -0.115 28.540 28.738 -0.140 0.000 0.907 168 Q HN 0.430 nan 8.270 nan 0.000 0.433 169 E N 0.810 120.803 120.200 -0.345 0.000 2.047 169 E HA -0.150 4.199 4.350 -0.001 0.000 0.191 169 E C 1.694 178.046 176.600 -0.414 0.000 0.987 169 E CA 1.021 57.119 56.400 -0.502 0.000 0.799 169 E CB -0.195 28.820 29.700 -1.140 0.000 0.752 169 E HN 0.309 nan 8.360 nan 0.000 0.449 170 L N 0.236 121.220 121.223 -0.400 0.000 2.083 170 L HA -0.157 4.183 4.340 -0.001 0.000 0.209 170 L C 2.515 179.361 176.870 -0.041 0.000 1.083 170 L CA 1.091 55.808 54.840 -0.205 0.000 0.752 170 L CB -0.487 41.547 42.059 -0.042 0.000 0.899 170 L HN 0.229 nan 8.230 nan 0.000 0.433 171 I N -0.026 120.531 120.570 -0.021 0.000 2.226 171 I HA -0.307 3.862 4.170 -0.001 0.000 0.245 171 I C 2.385 178.495 176.117 -0.011 0.000 1.100 171 I CA 1.484 62.805 61.300 0.035 0.000 1.374 171 I CB -0.453 37.546 38.000 -0.003 0.000 1.057 171 I HN 0.369 nan 8.210 nan 0.000 0.413 172 N N 1.465 120.126 118.700 -0.064 0.000 2.062 172 N HA -0.169 4.571 4.740 -0.001 0.000 0.191 172 N C 1.570 177.044 175.510 -0.059 0.000 1.042 172 N CA 1.743 54.759 53.050 -0.058 0.000 0.845 172 N CB -0.245 38.198 38.487 -0.074 0.000 1.024 172 N HN 0.149 nan 8.380 nan 0.000 0.424 173 N N 0.638 119.284 118.700 -0.091 0.000 2.069 173 N HA -0.111 4.628 4.740 -0.001 0.000 0.191 173 N C 1.629 177.126 175.510 -0.021 0.000 1.031 173 N CA 0.845 53.852 53.050 -0.072 0.000 0.852 173 N CB -0.413 38.005 38.487 -0.116 0.000 1.018 173 N HN 0.307 nan 8.380 nan 0.000 0.423 174 I N 1.119 121.687 120.570 -0.003 0.000 2.226 174 I HA -0.142 4.028 4.170 -0.001 0.000 0.245 174 I C 1.907 178.038 176.117 0.024 0.000 1.100 174 I CA 0.760 62.095 61.300 0.058 0.000 1.374 174 I CB -1.377 36.630 38.000 0.013 0.000 1.057 174 I HN 0.042 nan 8.210 nan 0.000 0.413 175 A N -0.319 122.480 122.820 -0.035 0.000 2.239 175 A HA -0.107 4.213 4.320 -0.001 0.000 0.209 175 A C 2.126 179.659 177.584 -0.086 0.000 1.171 175 A CA 1.049 53.027 52.037 -0.100 0.000 0.768 175 A CB -0.183 18.759 19.000 -0.096 0.000 0.790 175 A HN 0.245 nan 8.150 nan 0.000 0.478 176 K N -1.646 118.722 120.400 -0.054 0.000 2.403 176 K HA 0.307 4.626 4.320 -0.001 0.000 0.199 176 K C 1.658 178.208 176.600 -0.082 0.000 1.199 176 K CA 1.009 57.260 56.287 -0.060 0.000 0.924 176 K CB 0.058 32.529 32.500 -0.047 0.000 1.137 176 K HN 0.321 nan 8.250 nan 0.000 0.510 177 A N 0.328 123.093 122.820 -0.092 0.000 2.267 177 A HA 0.064 4.384 4.320 -0.001 0.000 0.213 177 A C 0.914 178.205 177.584 -0.489 0.000 1.192 177 A CA 0.483 52.379 52.037 -0.235 0.000 0.851 177 A CB -0.064 18.809 19.000 -0.211 0.000 0.881 177 A HN 0.225 nan 8.150 nan 0.000 0.494 178 H N -1.986 117.044 119.070 -0.067 0.000 3.787 178 H HA 0.179 4.735 4.556 -0.001 0.000 0.262 178 H C 1.164 176.439 175.328 -0.088 0.000 1.181 178 H CA 0.314 56.323 56.048 -0.065 0.000 1.159 178 H CB 0.418 30.145 29.762 -0.059 0.000 1.563 178 H HN 0.580 nan 8.280 nan 0.000 0.699 179 G N 1.764 110.546 108.800 -0.030 0.000 2.350 179 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.298 179 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.298 179 G C 0.418 175.194 174.900 -0.207 0.000 1.037 179 G CA 0.466 45.488 45.100 -0.130 0.000 1.074 179 G HN 0.641 nan 8.290 nan 0.000 0.511 180 G N -0.944 107.739 108.800 -0.194 0.000 2.513 180 G HA2 0.726 4.686 3.960 -0.001 0.000 0.317 180 G HA3 0.726 4.686 3.960 -0.001 0.000 0.317 180 G C -0.233 174.512 174.900 -0.259 0.000 1.277 180 G CA -1.044 43.934 45.100 -0.203 0.000 0.955 180 G HN 0.207 nan 8.290 nan 0.000 0.484 181 F N 0.717 120.630 119.950 -0.061 0.000 2.399 181 F HA 0.605 5.131 4.527 -0.001 0.000 0.313 181 F C 1.120 176.825 175.800 -0.159 0.000 1.202 181 F CA -0.037 57.860 58.000 -0.172 0.000 1.192 181 F CB 1.418 40.154 39.000 -0.441 0.000 1.256 181 F HN 0.294 nan 8.300 nan 0.000 0.558 182 S N -0.346 115.415 115.700 0.101 0.000 2.599 182 S HA 0.792 5.261 4.470 -0.001 0.000 0.287 182 S C -1.310 173.333 174.600 0.071 0.000 1.105 182 S CA -0.788 57.477 58.200 0.108 0.000 0.899 182 S CB 2.281 65.637 63.200 0.260 0.000 1.100 182 S HN 0.275 nan 8.310 nan 0.000 0.482 183 V N 2.199 122.186 119.914 0.121 0.000 2.638 183 V HA 0.518 4.638 4.120 -0.001 0.000 0.306 183 V C -1.431 174.799 176.094 0.225 0.000 1.052 183 V CA -0.618 61.740 62.300 0.097 0.000 0.885 183 V CB 1.518 33.340 31.823 -0.001 0.000 0.999 183 V HN 0.846 nan 8.190 nan 0.000 0.424 184 F N 2.955 122.920 119.950 0.025 0.000 2.444 184 F HA 0.698 5.224 4.527 -0.001 0.000 0.342 184 F C 0.296 175.982 175.800 -0.189 0.000 1.121 184 F CA 0.093 58.086 58.000 -0.012 0.000 0.997 184 F CB 1.779 40.721 39.000 -0.097 0.000 1.130 184 F HN 0.462 nan 8.300 nan 0.000 0.454 185 T N 4.277 118.529 114.554 -0.504 0.000 2.812 185 T HA 0.433 4.783 4.350 -0.001 0.000 0.282 185 T C 0.054 174.486 174.700 -0.447 0.000 0.990 185 T CA -0.662 61.195 62.100 -0.404 0.000 0.960 185 T CB 1.374 70.087 68.868 -0.258 0.000 0.948 185 T HN 0.802 nan 8.240 nan 0.000 0.438 186 G N 2.277 110.873 108.800 -0.340 0.000 3.058 186 G HA2 0.437 4.397 3.960 -0.001 0.000 0.316 186 G HA3 0.437 4.397 3.960 -0.001 0.000 0.316 186 G C 0.066 174.997 174.900 0.051 0.000 0.951 186 G CA -0.380 44.695 45.100 -0.041 0.000 1.535 186 G HN 0.681 nan 8.290 nan 0.000 0.500 187 V N 2.226 122.142 119.914 0.002 0.000 2.377 187 V HA 0.397 4.517 4.120 -0.001 0.000 0.254 187 V C 1.431 177.569 176.094 0.074 0.000 1.060 187 V CA 1.035 63.363 62.300 0.048 0.000 1.068 187 V CB -0.114 31.744 31.823 0.058 0.000 1.113 187 V HN 1.147 nan 8.190 nan 0.000 0.484 188 G N 3.768 112.619 108.800 0.086 0.000 2.248 188 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.252 188 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.252 188 G C -0.144 174.824 174.900 0.112 0.000 1.085 188 G CA 0.118 45.264 45.100 0.078 0.000 0.845 188 G HN 0.786 nan 8.290 nan 0.000 0.494 189 E N 0.389 120.693 120.200 0.173 0.000 2.289 189 E HA 0.495 4.844 4.350 -0.001 0.000 0.278 189 E C 1.092 177.778 176.600 0.144 0.000 1.032 189 E CA -0.710 55.825 56.400 0.226 0.000 0.854 189 E CB 0.356 30.332 29.700 0.460 0.000 1.046 189 E HN 0.414 nan 8.360 nan 0.000 0.409 190 R N 3.379 123.944 120.500 0.109 0.000 2.480 190 R HA 0.002 4.342 4.340 -0.001 0.000 0.303 190 R C 0.768 177.072 176.300 0.007 0.000 0.985 190 R CA 0.505 56.638 56.100 0.054 0.000 1.051 190 R CB 0.171 30.503 30.300 0.052 0.000 0.935 190 R HN 0.687 nan 8.270 nan 0.000 0.410 191 T N 2.293 116.833 114.554 -0.022 0.000 2.849 191 T HA -0.197 4.153 4.350 -0.001 0.000 0.270 191 T C 1.718 176.366 174.700 -0.085 0.000 1.066 191 T CA 1.285 63.336 62.100 -0.082 0.000 1.130 191 T CB -0.124 68.709 68.868 -0.058 0.000 0.864 191 T HN 0.536 nan 8.240 nan 0.000 0.481 192 R N 1.099 121.576 120.500 -0.038 0.000 2.062 192 R HA -0.030 4.310 4.340 -0.001 0.000 0.229 192 R C 2.145 178.431 176.300 -0.024 0.000 1.128 192 R CA 1.321 57.406 56.100 -0.026 0.000 0.960 192 R CB -0.042 30.255 30.300 -0.004 0.000 0.855 192 R HN 0.436 nan 8.270 nan 0.000 0.432 193 E N -0.804 119.393 120.200 -0.004 0.000 2.274 193 E HA -0.064 4.285 4.350 -0.001 0.000 0.194 193 E C 1.726 178.327 176.600 0.002 0.000 0.996 193 E CA 0.713 57.126 56.400 0.022 0.000 0.840 193 E CB 0.039 29.780 29.700 0.069 0.000 0.772 193 E HN 0.562 nan 8.360 nan 0.000 0.491 194 G N 1.920 110.659 108.800 -0.103 0.000 2.414 194 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.215 194 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.215 194 G C 1.489 176.262 174.900 -0.212 0.000 1.188 194 G CA 0.634 45.523 45.100 -0.353 0.000 0.783 194 G HN 0.195 nan 8.290 nan 0.000 0.537 195 N N 0.993 119.606 118.700 -0.145 0.000 2.223 195 N HA -0.128 4.611 4.740 -0.001 0.000 0.185 195 N C 1.725 177.246 175.510 0.018 0.000 1.016 195 N CA 1.555 54.588 53.050 -0.027 0.000 0.863 195 N CB -0.284 38.187 38.487 -0.028 0.000 0.983 195 N HN 0.190 nan 8.380 nan 0.000 0.429 196 D N 0.075 120.474 120.400 -0.002 0.000 2.219 196 D HA -0.095 4.544 4.640 -0.001 0.000 0.205 196 D C 1.933 178.236 176.300 0.005 0.000 0.970 196 D CA 0.295 54.298 54.000 0.005 0.000 0.851 196 D CB -0.009 40.794 40.800 0.005 0.000 0.943 196 D HN 0.267 nan 8.370 nan 0.000 0.488 197 L N -0.577 120.656 121.223 0.017 0.000 2.084 197 L HA -0.017 4.323 4.340 -0.001 0.000 0.202 197 L C 2.066 178.962 176.870 0.043 0.000 1.074 197 L CA 1.299 56.139 54.840 0.001 0.000 0.757 197 L CB -1.094 40.963 42.059 -0.003 0.000 0.918 197 L HN 0.021 nan 8.230 nan 0.000 0.444 198 Y N 0.790 121.069 120.300 -0.035 0.000 2.128 198 Y HA -0.270 4.279 4.550 -0.001 0.000 0.284 198 Y C 2.832 178.723 175.900 -0.015 0.000 1.154 198 Y CA 2.184 60.275 58.100 -0.014 0.000 1.149 198 Y CB -0.382 38.072 38.460 -0.010 0.000 0.976 198 Y HN 0.206 nan 8.280 nan 0.000 0.505 199 R N 0.302 120.735 120.500 -0.113 0.000 2.237 199 R HA -0.163 4.177 4.340 -0.001 0.000 0.219 199 R C 2.101 178.335 176.300 -0.110 0.000 1.080 199 R CA 1.502 57.495 56.100 -0.178 0.000 0.995 199 R CB -0.183 30.079 30.300 -0.064 0.000 0.875 199 R HN 0.577 nan 8.270 nan 0.000 0.462 200 E N -0.530 119.632 120.200 -0.063 0.000 2.340 200 E HA -0.029 4.320 4.350 -0.001 0.000 0.194 200 E C 1.718 178.301 176.600 -0.028 0.000 0.996 200 E CA 0.156 56.545 56.400 -0.019 0.000 0.869 200 E CB 0.224 29.900 29.700 -0.040 0.000 0.835 200 E HN 0.297 nan 8.360 nan 0.000 0.493 201 M N 0.181 119.738 119.600 -0.071 0.000 2.288 201 M HA -0.030 4.449 4.480 -0.001 0.000 0.266 201 M C 1.956 178.214 176.300 -0.069 0.000 1.072 201 M CA 1.044 56.307 55.300 -0.061 0.000 1.132 201 M CB 0.128 32.707 32.600 -0.036 0.000 1.386 201 M HN -0.042 nan 8.290 nan 0.000 0.432 202 K N 0.130 120.439 120.400 -0.153 0.000 2.103 202 K HA -0.158 4.162 4.320 -0.001 0.000 0.204 202 K C 1.800 178.357 176.600 -0.073 0.000 1.052 202 K CA 1.066 57.264 56.287 -0.147 0.000 0.945 202 K CB -0.079 32.260 32.500 -0.268 0.000 0.722 202 K HN 0.357 nan 8.250 nan 0.000 0.443 203 E N 0.217 120.394 120.200 -0.039 0.000 2.216 203 E HA -0.119 4.230 4.350 -0.001 0.000 0.192 203 E C 1.731 178.367 176.600 0.060 0.000 0.988 203 E CA 0.919 57.325 56.400 0.010 0.000 0.834 203 E CB 0.269 30.016 29.700 0.078 0.000 0.772 203 E HN 0.097 nan 8.360 nan 0.000 0.479 204 T N -1.944 112.669 114.554 0.099 0.000 3.054 204 T HA 0.133 4.483 4.350 -0.001 0.000 0.259 204 T C 1.162 175.894 174.700 0.053 0.000 1.092 204 T CA 1.256 63.437 62.100 0.135 0.000 1.121 204 T CB 0.098 69.040 68.868 0.123 0.000 0.912 204 T HN 0.412 nan 8.240 nan 0.000 0.489 205 G N 0.275 109.086 108.800 0.019 0.000 2.179 205 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.220 205 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.220 205 G C 1.011 175.917 174.900 0.011 0.000 0.990 205 G CA 0.544 45.649 45.100 0.008 0.000 0.646 205 G HN 1.112 nan 8.290 nan 0.000 0.517 206 V N -1.536 118.381 119.914 0.005 0.000 3.380 206 V HA 0.557 4.676 4.120 -0.001 0.000 0.268 206 V C 0.956 177.063 176.094 0.022 0.000 1.168 206 V CA 0.934 63.238 62.300 0.006 0.000 1.156 206 V CB -0.241 31.570 31.823 -0.020 0.000 0.785 206 V HN 0.466 nan 8.190 nan 0.000 0.487 207 I N 1.488 122.067 120.570 0.015 0.000 2.534 207 I HA 0.475 4.644 4.170 -0.001 0.000 0.288 207 I C -1.153 174.973 176.117 0.014 0.000 1.077 207 I CA -0.335 60.983 61.300 0.029 0.000 1.051 207 I CB 2.014 40.041 38.000 0.045 0.000 1.234 207 I HN 0.058 nan 8.210 nan 0.000 0.425 208 N N 6.537 125.253 118.700 0.028 0.000 2.483 208 N HA 0.409 5.149 4.740 -0.001 0.000 0.267 208 N C 0.531 176.057 175.510 0.026 0.000 0.998 208 N CA -0.448 52.613 53.050 0.018 0.000 0.918 208 N CB 1.815 40.315 38.487 0.022 0.000 1.215 208 N HN 0.584 nan 8.380 nan 0.000 0.500 209 L N 1.982 123.217 121.223 0.020 0.000 2.042 209 L HA -0.109 4.230 4.340 -0.001 0.000 0.210 209 L C 1.351 178.238 176.870 0.028 0.000 1.076 209 L CA 1.405 56.264 54.840 0.033 0.000 0.749 209 L CB 0.023 42.097 42.059 0.024 0.000 0.893 209 L HN 0.581 nan 8.230 nan 0.000 0.432 210 E N -1.122 119.090 120.200 0.020 0.000 2.490 210 E HA 0.109 4.458 4.350 -0.001 0.000 0.209 210 E C 1.298 177.910 176.600 0.020 0.000 0.971 210 E CA 0.188 56.599 56.400 0.018 0.000 0.988 210 E CB 0.624 30.332 29.700 0.013 0.000 1.029 210 E HN 0.447 nan 8.360 nan 0.000 0.496 211 G N 1.004 109.817 108.800 0.022 0.000 2.928 211 G HA2 0.127 4.087 3.960 -0.001 0.000 0.163 211 G HA3 0.127 4.087 3.960 -0.001 0.000 0.163 211 G C -0.418 174.506 174.900 0.039 0.000 1.573 211 G CA -0.312 44.804 45.100 0.028 0.000 1.084 211 G HN 0.007 nan 8.290 nan 0.000 0.569 212 E N -0.450 119.781 120.200 0.050 0.000 2.176 212 E HA 0.498 4.847 4.350 -0.001 0.000 0.267 212 E C -0.776 175.872 176.600 0.082 0.000 0.893 212 E CA -0.406 56.038 56.400 0.073 0.000 0.761 212 E CB 1.492 31.253 29.700 0.102 0.000 1.133 212 E HN 0.273 nan 8.360 nan 0.000 0.409 213 S N 2.880 118.623 115.700 0.073 0.000 2.646 213 S HA 0.295 4.765 4.470 -0.001 0.000 0.276 213 S C 0.396 175.075 174.600 0.132 0.000 1.222 213 S CA -0.631 57.612 58.200 0.070 0.000 1.014 213 S CB 1.274 64.494 63.200 0.035 0.000 0.991 213 S HN 0.470 nan 8.310 nan 0.000 0.533 214 K N 0.494 120.974 120.400 0.133 0.000 2.469 214 K HA 0.436 4.756 4.320 -0.001 0.000 0.204 214 K C -0.959 175.736 176.600 0.158 0.000 1.047 214 K CA 0.060 56.482 56.287 0.225 0.000 1.072 214 K CB 1.151 33.736 32.500 0.141 0.000 0.863 214 K HN 0.293 nan 8.250 nan 0.000 0.530 215 V N 0.010 119.963 119.914 0.065 0.000 2.966 215 V HA 0.600 4.719 4.120 -0.001 0.000 0.288 215 V C -1.931 174.164 176.094 0.003 0.000 1.380 215 V CA -0.731 61.591 62.300 0.036 0.000 0.966 215 V CB 1.758 33.620 31.823 0.065 0.000 1.115 215 V HN 0.105 nan 8.190 nan 0.000 0.436 216 A N 6.588 129.393 122.820 -0.025 0.000 2.306 216 A HA 0.962 5.281 4.320 -0.001 0.000 0.330 216 A C -1.062 176.535 177.584 0.022 0.000 1.146 216 A CA -0.669 51.359 52.037 -0.014 0.000 0.827 216 A CB 1.215 20.187 19.000 -0.047 0.000 1.178 216 A HN 1.023 nan 8.150 nan 0.000 0.490 217 L N 2.035 123.267 121.223 0.016 0.000 2.349 217 L HA 0.539 4.879 4.340 -0.001 0.000 0.278 217 L C -1.016 175.814 176.870 -0.067 0.000 0.996 217 L CA -0.750 54.082 54.840 -0.014 0.000 0.825 217 L CB 1.790 43.901 42.059 0.087 0.000 1.243 217 L HN 0.398 nan 8.230 nan 0.000 0.412 218 V N 3.058 122.853 119.914 -0.197 0.000 2.495 218 V HA 0.491 4.611 4.120 -0.001 0.000 0.298 218 V C -0.791 175.111 176.094 -0.320 0.000 1.031 218 V CA -0.423 61.788 62.300 -0.150 0.000 0.871 218 V CB 1.852 33.616 31.823 -0.099 0.000 0.988 218 V HN 0.384 nan 8.190 nan 0.000 0.432 219 F N 2.111 122.080 119.950 0.032 0.000 2.499 219 F HA 0.643 5.170 4.527 -0.001 0.000 0.333 219 F C 0.807 176.621 175.800 0.023 0.000 1.138 219 F CA -0.577 57.447 58.000 0.040 0.000 0.945 219 F CB 2.133 41.153 39.000 0.033 0.000 1.181 219 F HN 0.556 nan 8.300 nan 0.000 0.435 220 G N 3.794 112.708 108.800 0.189 0.000 3.964 220 G HA2 0.293 4.253 3.960 -0.001 0.000 0.289 220 G HA3 0.293 4.253 3.960 -0.001 0.000 0.289 220 G C -0.224 174.755 174.900 0.132 0.000 1.176 220 G CA -0.431 44.742 45.100 0.122 0.000 1.553 220 G HN 0.599 nan 8.290 nan 0.000 0.588 221 Q N 0.471 120.355 119.800 0.140 0.000 2.394 221 Q HA 0.012 4.352 4.340 -0.001 0.000 0.303 221 Q C 1.608 177.646 176.000 0.062 0.000 1.117 221 Q CA 0.448 56.309 55.803 0.097 0.000 0.966 221 Q CB 0.810 29.576 28.738 0.047 0.000 1.275 221 Q HN 0.483 nan 8.270 nan 0.000 0.429 222 M N 1.543 121.173 119.600 0.050 0.000 2.229 222 M HA -0.153 4.327 4.480 -0.001 0.000 0.264 222 M C 1.389 177.699 176.300 0.017 0.000 1.063 222 M CA 1.013 56.332 55.300 0.031 0.000 1.114 222 M CB -0.351 32.267 32.600 0.030 0.000 1.387 222 M HN 0.667 nan 8.290 nan 0.000 0.420 223 N N 0.883 119.592 118.700 0.015 0.000 2.573 223 N HA -0.079 4.661 4.740 -0.001 0.000 0.187 223 N C -0.312 175.203 175.510 0.007 0.000 1.107 223 N CA 0.539 53.593 53.050 0.007 0.000 0.918 223 N CB -0.410 38.079 38.487 0.003 0.000 0.966 223 N HN 0.475 nan 8.380 nan 0.000 0.448 224 E N 2.475 122.683 120.200 0.013 0.000 2.283 224 E HA 0.245 4.595 4.350 -0.001 0.000 0.278 224 E C -2.124 174.477 176.600 0.003 0.000 1.027 224 E CA -2.092 54.315 56.400 0.011 0.000 0.843 224 E CB 0.778 30.491 29.700 0.022 0.000 1.062 224 E HN 0.218 nan 8.360 nan 0.000 0.401 225 P HA -0.072 nan 4.420 nan 0.000 0.271 225 P C -2.159 175.131 177.300 -0.017 0.000 1.233 225 P CA -0.936 62.158 63.100 -0.010 0.000 0.795 225 P CB -0.023 31.672 31.700 -0.008 0.000 0.936 226 P HA -0.160 nan 4.420 nan 0.000 0.215 226 P C 1.730 179.004 177.300 -0.043 0.000 1.153 226 P CA 2.177 65.250 63.100 -0.045 0.000 0.853 226 P CB -0.659 31.010 31.700 -0.051 0.000 0.788 227 G N -0.255 108.528 108.800 -0.028 0.000 2.475 227 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.220 227 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.220 227 G C 1.544 176.438 174.900 -0.010 0.000 1.125 227 G CA 1.059 46.147 45.100 -0.019 0.000 0.755 227 G HN 0.386 nan 8.290 nan 0.000 0.565 228 A N 0.147 122.963 122.820 -0.007 0.000 1.956 228 A HA 0.293 4.613 4.320 -0.001 0.000 0.212 228 A C 2.362 179.949 177.584 0.006 0.000 1.188 228 A CA 1.055 53.094 52.037 0.004 0.000 0.675 228 A CB -0.161 18.846 19.000 0.011 0.000 0.845 228 A HN 0.271 nan 8.150 nan 0.000 0.455 229 R N -0.067 120.430 120.500 -0.004 0.000 2.096 229 R HA -0.062 4.278 4.340 -0.001 0.000 0.235 229 R C 2.176 178.473 176.300 -0.005 0.000 1.127 229 R CA 1.327 57.427 56.100 0.001 0.000 0.968 229 R CB -0.370 29.919 30.300 -0.018 0.000 0.861 229 R HN 0.473 nan 8.270 nan 0.000 0.440 230 A N 0.305 123.087 122.820 -0.064 0.000 2.168 230 A HA -0.051 4.269 4.320 -0.001 0.000 0.215 230 A C 1.580 179.162 177.584 -0.004 0.000 1.152 230 A CA 0.962 52.909 52.037 -0.149 0.000 0.716 230 A CB -0.006 18.863 19.000 -0.218 0.000 0.794 230 A HN 0.072 nan 8.150 nan 0.000 0.465 231 R N -0.899 119.620 120.500 0.031 0.000 2.221 231 R HA 0.050 4.390 4.340 -0.001 0.000 0.195 231 R C 2.042 178.361 176.300 0.031 0.000 0.956 231 R CA 1.283 57.404 56.100 0.036 0.000 1.064 231 R CB -1.276 29.027 30.300 0.005 0.000 1.049 231 R HN 0.506 nan 8.270 nan 0.000 0.534 232 V N -0.176 119.760 119.914 0.037 0.000 2.380 232 V HA -0.163 3.957 4.120 -0.001 0.000 0.251 232 V C 2.387 178.478 176.094 -0.004 0.000 1.063 232 V CA 1.915 64.224 62.300 0.014 0.000 1.055 232 V CB -1.391 30.445 31.823 0.023 0.000 0.657 232 V HN 0.145 nan 8.190 nan 0.000 0.455 233 A N 1.073 123.916 122.820 0.039 0.000 1.917 233 A HA -0.144 4.176 4.320 -0.001 0.000 0.219 233 A C 2.266 179.800 177.584 -0.084 0.000 1.182 233 A CA 2.474 54.484 52.037 -0.046 0.000 0.633 233 A CB -0.713 18.245 19.000 -0.070 0.000 0.819 233 A HN 0.611 nan 8.150 nan 0.000 0.448 234 L N -1.228 119.977 121.223 -0.031 0.000 2.027 234 L HA -0.150 4.189 4.340 -0.001 0.000 0.206 234 L C 2.815 179.633 176.870 -0.086 0.000 1.074 234 L CA 1.747 56.542 54.840 -0.076 0.000 0.745 234 L CB -1.186 40.808 42.059 -0.108 0.000 0.898 234 L HN 0.317 nan 8.230 nan 0.000 0.433 235 T N -0.031 114.478 114.554 -0.074 0.000 2.665 235 T HA -0.195 4.155 4.350 -0.001 0.000 0.268 235 T C 1.774 176.445 174.700 -0.049 0.000 1.035 235 T CA 1.692 63.756 62.100 -0.060 0.000 1.151 235 T CB -0.638 68.205 68.868 -0.042 0.000 0.862 235 T HN 0.595 nan 8.240 nan 0.000 0.438 236 G N 0.676 109.439 108.800 -0.061 0.000 2.484 236 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.218 236 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.218 236 G C 1.486 176.349 174.900 -0.061 0.000 1.130 236 G CA 0.435 45.496 45.100 -0.066 0.000 0.784 236 G HN 0.429 nan 8.290 nan 0.000 0.543 237 L N 0.953 122.131 121.223 -0.075 0.000 2.156 237 L HA 0.094 4.434 4.340 -0.001 0.000 0.208 237 L C 2.711 179.567 176.870 -0.022 0.000 1.095 237 L CA 2.159 56.957 54.840 -0.071 0.000 0.770 237 L CB -0.803 41.195 42.059 -0.102 0.000 0.914 237 L HN 0.112 nan 8.230 nan 0.000 0.439 238 T N 0.271 114.816 114.554 -0.014 0.000 2.821 238 T HA -0.093 4.257 4.350 -0.001 0.000 0.267 238 T C 1.969 176.715 174.700 0.077 0.000 1.046 238 T CA 1.482 63.595 62.100 0.022 0.000 1.139 238 T CB -0.202 68.668 68.868 0.003 0.000 0.871 238 T HN 0.189 nan 8.240 nan 0.000 0.454 239 I N 1.974 122.586 120.570 0.070 0.000 2.179 239 I HA -0.125 4.045 4.170 -0.001 0.000 0.242 239 I C 2.931 179.205 176.117 0.262 0.000 1.088 239 I CA 1.315 62.699 61.300 0.140 0.000 1.357 239 I CB -1.672 36.378 38.000 0.083 0.000 1.051 239 I HN 0.203 nan 8.210 nan 0.000 0.409 240 A N 0.213 123.127 122.820 0.155 0.000 2.015 240 A HA -0.169 4.150 4.320 -0.001 0.000 0.219 240 A C 2.229 179.936 177.584 0.206 0.000 1.163 240 A CA 1.130 53.266 52.037 0.165 0.000 0.646 240 A CB -0.552 18.466 19.000 0.029 0.000 0.806 240 A HN 0.475 nan 8.150 nan 0.000 0.448 241 E N -1.589 118.701 120.200 0.150 0.000 2.110 241 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 241 E C 1.752 178.433 176.600 0.135 0.000 0.988 241 E CA 1.368 57.832 56.400 0.107 0.000 0.804 241 E CB -0.273 29.467 29.700 0.066 0.000 0.745 241 E HN 0.802 nan 8.360 nan 0.000 0.458 242 Y N 0.092 120.434 120.300 0.069 0.000 2.181 242 Y HA -0.213 4.337 4.550 -0.001 0.000 0.288 242 Y C 1.522 177.371 175.900 -0.085 0.000 1.146 242 Y CA 1.438 59.510 58.100 -0.048 0.000 1.164 242 Y CB -0.098 38.272 38.460 -0.151 0.000 0.982 242 Y HN -0.034 nan 8.280 nan 0.000 0.515 243 F N -0.231 119.844 119.950 0.208 0.000 2.805 243 F HA 0.053 4.579 4.527 -0.001 0.000 0.301 243 F C 2.237 178.078 175.800 0.068 0.000 1.196 243 F CA 0.770 58.874 58.000 0.173 0.000 1.439 243 F CB -0.203 38.938 39.000 0.234 0.000 1.117 243 F HN 0.022 nan 8.300 nan 0.000 0.581 244 R N -0.245 120.330 120.500 0.126 0.000 2.215 244 R HA 0.036 4.375 4.340 -0.001 0.000 0.190 244 R C 1.101 177.376 176.300 -0.043 0.000 0.968 244 R CA 0.488 56.614 56.100 0.043 0.000 1.122 244 R CB 0.027 30.349 30.300 0.035 0.000 1.151 244 R HN 0.006 nan 8.270 nan 0.000 0.582 245 D N 0.841 121.179 120.400 -0.103 0.000 2.317 245 D HA -0.052 4.588 4.640 -0.001 0.000 0.211 245 D C 0.836 176.981 176.300 -0.258 0.000 0.966 245 D CA 0.900 54.803 54.000 -0.162 0.000 0.876 245 D CB 0.387 41.087 40.800 -0.166 0.000 0.927 245 D HN 0.300 nan 8.370 nan 0.000 0.519 246 E N -0.386 119.598 120.200 -0.359 0.000 2.571 246 E HA 0.126 4.475 4.350 -0.001 0.000 0.222 246 E C 0.790 177.262 176.600 -0.214 0.000 0.904 246 E CA 0.164 56.303 56.400 -0.436 0.000 1.157 246 E CB 0.946 30.011 29.700 -1.059 0.000 1.158 246 E HN 0.311 nan 8.360 nan 0.000 0.540 247 E N -0.063 120.071 120.200 -0.110 0.000 2.639 247 E HA 0.159 4.509 4.350 -0.001 0.000 0.225 247 E C 0.496 177.115 176.600 0.032 0.000 0.921 247 E CA 0.259 56.663 56.400 0.006 0.000 1.184 247 E CB 1.487 31.253 29.700 0.110 0.000 1.160 247 E HN 0.188 nan 8.360 nan 0.000 0.547 248 G N 2.958 111.764 108.800 0.010 0.000 2.341 248 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.292 248 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.292 248 G C 0.053 174.973 174.900 0.034 0.000 1.021 248 G CA 0.871 45.978 45.100 0.011 0.000 0.905 248 G HN 0.212 nan 8.290 nan 0.000 0.508 249 Q N -0.779 119.064 119.800 0.071 0.000 2.169 249 Q HA 0.469 4.809 4.340 -0.001 0.000 0.234 249 Q C -0.609 175.410 176.000 0.033 0.000 0.980 249 Q CA -0.885 54.956 55.803 0.062 0.000 0.941 249 Q CB 0.874 29.673 28.738 0.101 0.000 1.199 249 Q HN 0.172 nan 8.270 nan 0.000 0.496 250 D N 1.326 121.723 120.400 -0.004 0.000 2.494 250 D HA 0.176 4.815 4.640 -0.001 0.000 0.217 250 D C -0.874 175.397 176.300 -0.048 0.000 1.153 250 D CA -0.035 53.931 54.000 -0.058 0.000 0.954 250 D CB 0.391 41.096 40.800 -0.159 0.000 1.034 250 D HN 0.118 nan 8.370 nan 0.000 0.518 251 V N 2.153 122.060 119.914 -0.013 0.000 2.614 251 V HA 0.170 4.290 4.120 -0.001 0.000 0.291 251 V C 0.805 176.852 176.094 -0.077 0.000 1.049 251 V CA -0.541 61.754 62.300 -0.008 0.000 1.038 251 V CB 1.063 32.918 31.823 0.052 0.000 0.980 251 V HN 0.296 nan 8.190 nan 0.000 0.481 252 L N 4.958 126.128 121.223 -0.089 0.000 2.295 252 L HA 0.553 4.893 4.340 -0.001 0.000 0.285 252 L C -0.597 176.106 176.870 -0.279 0.000 1.035 252 L CA -0.556 54.150 54.840 -0.223 0.000 0.806 252 L CB 1.637 43.595 42.059 -0.170 0.000 1.214 252 L HN 0.505 nan 8.230 nan 0.000 0.426 253 L N 3.927 124.877 121.223 -0.454 0.000 2.349 253 L HA 0.553 4.893 4.340 -0.001 0.000 0.278 253 L C -1.334 175.191 176.870 -0.575 0.000 0.996 253 L CA 0.112 54.733 54.840 -0.365 0.000 0.825 253 L CB 1.236 43.145 42.059 -0.248 0.000 1.243 253 L HN 0.196 nan 8.230 nan 0.000 0.412 254 F N 6.048 125.861 119.950 -0.228 0.000 2.426 254 F HA 0.563 5.090 4.527 -0.001 0.000 0.348 254 F C 0.019 175.495 175.800 -0.540 0.000 1.124 254 F CA -0.467 57.316 58.000 -0.361 0.000 1.008 254 F CB 1.313 40.078 39.000 -0.392 0.000 1.139 254 F HN 0.234 nan 8.300 nan 0.000 0.452 255 I N 3.056 123.468 120.570 -0.263 0.000 2.390 255 I HA 0.286 4.456 4.170 -0.001 0.000 0.283 255 I C -1.166 174.830 176.117 -0.202 0.000 1.016 255 I CA -0.413 60.724 61.300 -0.272 0.000 1.151 255 I CB 1.351 39.208 38.000 -0.238 0.000 1.293 255 I HN 0.435 nan 8.210 nan 0.000 0.458 256 D N 6.088 126.356 120.400 -0.222 0.000 2.542 256 D HA 0.242 4.882 4.640 -0.001 0.000 0.252 256 D C -1.036 175.278 176.300 0.023 0.000 1.222 256 D CA -0.311 53.653 54.000 -0.061 0.000 0.895 256 D CB 1.294 42.095 40.800 0.001 0.000 1.207 256 D HN 0.353 nan 8.370 nan 0.000 0.558 257 N N 3.592 122.334 118.700 0.070 0.000 2.430 257 N HA 0.208 4.947 4.740 -0.001 0.000 0.298 257 N C 0.676 176.241 175.510 0.090 0.000 1.130 257 N CA -0.524 52.580 53.050 0.090 0.000 0.894 257 N CB 1.617 40.204 38.487 0.166 0.000 1.209 257 N HN 0.410 nan 8.380 nan 0.000 0.503 258 I N 2.366 122.987 120.570 0.085 0.000 2.617 258 I HA -0.036 4.134 4.170 -0.001 0.000 0.256 258 I C 1.682 177.926 176.117 0.211 0.000 1.167 258 I CA 0.711 62.056 61.300 0.076 0.000 1.469 258 I CB -0.498 37.495 38.000 -0.011 0.000 1.098 258 I HN 0.596 nan 8.210 nan 0.000 0.436 259 F N 1.382 121.412 119.950 0.133 0.000 2.186 259 F HA -0.110 4.416 4.527 -0.000 0.000 0.299 259 F C 2.361 178.249 175.800 0.147 0.000 1.090 259 F CA 1.462 59.568 58.000 0.176 0.000 1.307 259 F CB -0.379 38.756 39.000 0.224 0.000 1.019 259 F HN -0.080 nan 8.300 nan 0.000 0.489 260 R N -0.858 119.607 120.500 -0.058 0.000 2.280 260 R HA -0.119 4.220 4.340 -0.001 0.000 0.207 260 R C 2.061 178.296 176.300 -0.109 0.000 1.043 260 R CA 1.107 57.097 56.100 -0.184 0.000 1.006 260 R CB -0.641 29.649 30.300 -0.017 0.000 0.885 260 R HN 0.448 nan 8.270 nan 0.000 0.467 261 F N 0.877 120.745 119.950 -0.138 0.000 2.206 261 F HA -0.120 4.406 4.527 -0.001 0.000 0.298 261 F C 1.933 177.663 175.800 -0.117 0.000 1.090 261 F CA 1.350 59.288 58.000 -0.104 0.000 1.323 261 F CB -0.078 38.876 39.000 -0.075 0.000 1.028 261 F HN -0.189 nan 8.300 nan 0.000 0.492 262 T N 0.086 114.587 114.554 -0.087 0.000 2.770 262 T HA -0.199 4.150 4.350 -0.001 0.000 0.263 262 T C 1.890 176.453 174.700 -0.228 0.000 1.039 262 T CA 1.478 63.493 62.100 -0.141 0.000 1.142 262 T CB -0.340 68.537 68.868 0.016 0.000 0.868 262 T HN 0.403 nan 8.240 nan 0.000 0.435 263 Q N 0.698 120.245 119.800 -0.421 0.000 2.050 263 Q HA -0.108 4.232 4.340 -0.001 0.000 0.202 263 Q C 2.495 178.351 176.000 -0.240 0.000 0.980 263 Q CA 1.571 57.149 55.803 -0.375 0.000 0.840 263 Q CB -0.306 28.090 28.738 -0.570 0.000 0.898 263 Q HN 0.520 nan 8.270 nan 0.000 0.424 264 A N 0.324 122.996 122.820 -0.247 0.000 1.972 264 A HA -0.116 4.203 4.320 -0.001 0.000 0.219 264 A C 2.207 179.665 177.584 -0.209 0.000 1.169 264 A CA 1.580 53.501 52.037 -0.194 0.000 0.635 264 A CB -1.149 17.747 19.000 -0.174 0.000 0.810 264 A HN 0.616 nan 8.150 nan 0.000 0.446 265 G N -0.904 107.723 108.800 -0.289 0.000 2.418 265 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.217 265 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.217 265 G C 1.917 176.736 174.900 -0.135 0.000 1.158 265 G CA 1.443 46.388 45.100 -0.258 0.000 0.771 265 G HN 0.570 nan 8.290 nan 0.000 0.545 266 S N 0.326 115.965 115.700 -0.102 0.000 2.356 266 S HA -0.116 4.353 4.470 -0.001 0.000 0.223 266 S C 2.245 176.801 174.600 -0.074 0.000 1.032 266 S CA 1.848 60.011 58.200 -0.061 0.000 1.005 266 S CB -0.334 62.823 63.200 -0.072 0.000 0.867 266 S HN 0.586 nan 8.310 nan 0.000 0.449 267 E N 0.133 120.279 120.200 -0.090 0.000 2.058 267 E HA -0.120 4.230 4.350 -0.001 0.000 0.194 267 E C 2.194 178.758 176.600 -0.061 0.000 0.997 267 E CA 1.558 57.914 56.400 -0.074 0.000 0.801 267 E CB -0.347 29.308 29.700 -0.076 0.000 0.746 267 E HN 0.390 nan 8.360 nan 0.000 0.450 268 V N 1.002 120.874 119.914 -0.070 0.000 2.295 268 V HA -0.260 3.860 4.120 -0.001 0.000 0.246 268 V C 2.483 178.551 176.094 -0.044 0.000 1.049 268 V CA 1.961 64.227 62.300 -0.056 0.000 1.024 268 V CB -0.475 31.308 31.823 -0.066 0.000 0.648 268 V HN 0.270 nan 8.190 nan 0.000 0.447 269 S N -0.401 115.271 115.700 -0.047 0.000 2.399 269 S HA -0.167 4.302 4.470 -0.001 0.000 0.231 269 S C 2.033 176.619 174.600 -0.024 0.000 1.022 269 S CA 1.606 59.788 58.200 -0.030 0.000 0.983 269 S CB -0.247 62.939 63.200 -0.023 0.000 0.803 269 S HN 0.615 nan 8.310 nan 0.000 0.480 270 A N 1.078 123.880 122.820 -0.030 0.000 1.930 270 A HA 0.212 4.531 4.320 -0.001 0.000 0.215 270 A C 2.162 179.732 177.584 -0.024 0.000 1.176 270 A CA 0.880 52.901 52.037 -0.027 0.000 0.632 270 A CB -0.645 18.334 19.000 -0.036 0.000 0.819 270 A HN 0.546 nan 8.150 nan 0.000 0.445 271 L N -0.497 120.710 121.223 -0.027 0.000 2.083 271 L HA -0.164 4.176 4.340 -0.001 0.000 0.209 271 L C 2.332 179.191 176.870 -0.017 0.000 1.083 271 L CA 1.022 55.848 54.840 -0.022 0.000 0.752 271 L CB -0.441 41.603 42.059 -0.025 0.000 0.899 271 L HN 0.369 nan 8.230 nan 0.000 0.433 272 L N -0.714 120.498 121.223 -0.017 0.000 2.362 272 L HA -0.042 4.297 4.340 -0.001 0.000 0.219 272 L C 1.554 178.419 176.870 -0.009 0.000 1.134 272 L CA 0.870 55.703 54.840 -0.013 0.000 0.807 272 L CB -0.448 41.603 42.059 -0.014 0.000 0.927 272 L HN 0.547 nan 8.230 nan 0.000 0.447 273 G N -0.287 108.508 108.800 -0.009 0.000 2.179 273 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.220 273 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.220 273 G C 0.273 175.171 174.900 -0.003 0.000 0.990 273 G CA -0.484 44.612 45.100 -0.006 0.000 0.646 273 G HN 0.272 nan 8.290 nan 0.000 0.517 274 R N 0.167 120.665 120.500 -0.004 0.000 2.643 274 R HA 0.372 4.712 4.340 -0.001 0.000 0.270 274 R C 0.826 177.128 176.300 0.002 0.000 1.061 274 R CA -0.384 55.716 56.100 0.001 0.000 1.107 274 R CB 0.541 30.842 30.300 0.001 0.000 0.999 274 R HN 0.165 nan 8.270 nan 0.000 0.460 275 I N 5.100 125.674 120.570 0.006 0.000 2.505 275 I HA 0.060 4.229 4.170 -0.001 0.000 0.287 275 I C -1.639 174.486 176.117 0.013 0.000 1.104 275 I CA -2.499 58.806 61.300 0.008 0.000 1.387 275 I CB -0.201 37.806 38.000 0.011 0.000 1.404 275 I HN 0.353 nan 8.210 nan 0.000 0.528 276 P HA 0.018 nan 4.420 nan 0.000 0.265 276 P C 0.268 177.588 177.300 0.033 0.000 1.187 276 P CA 0.182 63.291 63.100 0.015 0.000 0.766 276 P CB 1.191 32.889 31.700 -0.003 0.000 0.820 277 S N 1.868 117.604 115.700 0.060 0.000 2.232 277 S HA 0.505 4.974 4.470 -0.001 0.000 0.240 277 S C 0.193 174.848 174.600 0.091 0.000 1.224 277 S CA -0.118 58.126 58.200 0.075 0.000 1.019 277 S CB -0.147 63.107 63.200 0.091 0.000 1.039 277 S HN 0.593 nan 8.310 nan 0.000 0.439 278 A N 0.300 123.189 122.820 0.115 0.000 2.492 278 A HA 0.475 4.795 4.320 -0.001 0.000 0.254 278 A C 0.910 178.616 177.584 0.204 0.000 1.091 278 A CA 0.230 52.342 52.037 0.124 0.000 0.768 278 A CB -0.556 18.507 19.000 0.105 0.000 1.028 278 A HN 1.493 nan 8.150 nan 0.000 0.498 279 V N 1.549 121.547 119.914 0.140 0.000 2.418 279 V HA -0.314 3.806 4.120 -0.001 0.000 0.129 279 V C 1.664 177.749 176.094 -0.015 0.000 0.469 279 V CA 1.762 64.139 62.300 0.128 0.000 1.298 279 V CB -2.213 29.785 31.823 0.291 0.000 1.512 279 V HN 2.884 nan 8.190 nan 0.000 1.004 280 G N -2.533 106.263 108.800 -0.006 0.000 2.131 280 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.223 280 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.223 280 G C -0.260 174.535 174.900 -0.174 0.000 0.990 280 G CA 0.213 45.252 45.100 -0.102 0.000 0.671 280 G HN 0.831 nan 8.290 nan 0.000 0.521 281 Y N 0.955 121.270 120.300 0.025 0.000 2.340 281 Y HA 0.511 5.060 4.550 -0.001 0.000 0.327 281 Y C 1.266 177.168 175.900 0.002 0.000 1.321 281 Y CA -0.275 57.834 58.100 0.015 0.000 1.433 281 Y CB 0.429 38.910 38.460 0.035 0.000 1.373 281 Y HN 0.345 nan 8.280 nan 0.000 0.538 282 Q N 3.154 123.058 119.800 0.174 0.000 2.337 282 Q HA 0.089 4.429 4.340 -0.001 0.000 0.270 282 Q C -2.295 173.755 176.000 0.083 0.000 1.002 282 Q CA -1.696 54.156 55.803 0.081 0.000 0.888 282 Q CB 1.085 29.843 28.738 0.035 0.000 1.222 282 Q HN 0.405 nan 8.270 nan 0.000 0.400 283 P HA -0.139 nan 4.420 nan 0.000 0.221 283 P C 0.804 178.130 177.300 0.043 0.000 1.145 283 P CA 1.506 64.636 63.100 0.049 0.000 0.795 283 P CB -0.078 31.643 31.700 0.035 0.000 0.775 284 T N -3.496 111.081 114.554 0.037 0.000 3.330 284 T HA 0.164 4.514 4.350 -0.001 0.000 0.249 284 T C 1.318 176.043 174.700 0.042 0.000 0.980 284 T CA -0.382 61.739 62.100 0.035 0.000 0.920 284 T CB -0.768 68.115 68.868 0.024 0.000 1.065 284 T HN -0.175 nan 8.240 nan 0.000 0.588 285 L N 1.376 122.628 121.223 0.049 0.000 2.056 285 L HA 0.228 4.568 4.340 -0.001 0.000 0.207 285 L C 2.647 179.557 176.870 0.066 0.000 1.078 285 L CA 1.816 56.685 54.840 0.049 0.000 0.749 285 L CB -1.125 40.952 42.059 0.028 0.000 0.901 285 L HN 0.427 nan 8.230 nan 0.000 0.433 286 A N -1.108 121.750 122.820 0.063 0.000 1.845 286 A HA -0.240 4.079 4.320 -0.001 0.000 0.215 286 A C 2.374 180.018 177.584 0.099 0.000 1.195 286 A CA 2.698 54.785 52.037 0.083 0.000 0.616 286 A CB -1.389 17.648 19.000 0.063 0.000 0.832 286 A HN 0.580 nan 8.150 nan 0.000 0.443 287 T N -2.094 112.506 114.554 0.077 0.000 2.737 287 T HA -0.149 4.201 4.350 -0.001 0.000 0.265 287 T C 1.427 176.179 174.700 0.088 0.000 1.038 287 T CA 1.642 63.788 62.100 0.076 0.000 1.144 287 T CB -0.669 68.233 68.868 0.056 0.000 0.866 287 T HN 0.330 nan 8.240 nan 0.000 0.434 288 D N 1.136 121.589 120.400 0.089 0.000 2.126 288 D HA -0.108 4.532 4.640 -0.001 0.000 0.190 288 D C 1.952 178.374 176.300 0.204 0.000 1.001 288 D CA 1.490 55.564 54.000 0.123 0.000 0.841 288 D CB -0.501 40.338 40.800 0.065 0.000 0.949 288 D HN 0.345 nan 8.370 nan 0.000 0.446 289 M N 0.246 119.957 119.600 0.184 0.000 2.213 289 M HA 0.020 4.499 4.480 -0.001 0.000 0.263 289 M C 1.887 178.136 176.300 -0.085 0.000 1.062 289 M CA 1.725 57.090 55.300 0.108 0.000 1.105 289 M CB -0.552 32.105 32.600 0.096 0.000 1.385 289 M HN 0.031 nan 8.290 nan 0.000 0.417 290 G N 0.060 108.876 108.800 0.026 0.000 2.404 290 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.215 290 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.215 290 G C 1.483 176.383 174.900 -0.001 0.000 1.174 290 G CA 0.977 46.101 45.100 0.040 0.000 0.780 290 G HN 0.501 nan 8.290 nan 0.000 0.537 291 L N -0.392 120.851 121.223 0.034 0.000 2.079 291 L HA -0.067 4.273 4.340 -0.001 0.000 0.210 291 L C 2.688 179.553 176.870 -0.007 0.000 1.081 291 L CA 0.570 55.433 54.840 0.039 0.000 0.752 291 L CB -0.379 41.730 42.059 0.083 0.000 0.896 291 L HN 0.242 nan 8.230 nan 0.000 0.433 292 L N -0.836 120.352 121.223 -0.057 0.000 2.034 292 L HA -0.136 4.203 4.340 -0.001 0.000 0.203 292 L C 2.647 179.386 176.870 -0.218 0.000 1.074 292 L CA 1.610 56.351 54.840 -0.166 0.000 0.748 292 L CB -0.575 41.272 42.059 -0.354 0.000 0.905 292 L HN 0.146 nan 8.230 nan 0.000 0.439 293 Q N -0.098 119.519 119.800 -0.305 0.000 2.170 293 Q HA -0.179 4.160 4.340 -0.001 0.000 0.203 293 Q C 2.054 177.960 176.000 -0.157 0.000 0.976 293 Q CA 1.223 56.833 55.803 -0.323 0.000 0.858 293 Q CB -0.353 27.990 28.738 -0.658 0.000 0.907 293 Q HN 0.582 nan 8.270 nan 0.000 0.433 294 E N 0.687 120.833 120.200 -0.089 0.000 2.204 294 E HA -0.122 4.228 4.350 -0.001 0.000 0.195 294 E C 1.587 178.169 176.600 -0.029 0.000 0.990 294 E CA 0.547 56.941 56.400 -0.010 0.000 0.821 294 E CB -0.059 29.658 29.700 0.029 0.000 0.750 294 E HN 0.324 nan 8.360 nan 0.000 0.477 295 R N 0.277 120.746 120.500 -0.052 0.000 2.323 295 R HA 0.146 4.485 4.340 -0.001 0.000 0.198 295 R C 0.619 176.880 176.300 -0.064 0.000 0.988 295 R CA 0.149 56.220 56.100 -0.047 0.000 1.041 295 R CB 0.088 30.361 30.300 -0.044 0.000 0.926 295 R HN 0.059 nan 8.270 nan 0.000 0.476 296 I N 0.800 121.321 120.570 -0.081 0.000 2.417 296 I HA 0.133 4.302 4.170 -0.001 0.000 0.283 296 I C 0.019 176.090 176.117 -0.077 0.000 1.121 296 I CA -0.178 61.066 61.300 -0.094 0.000 1.211 296 I CB 1.103 39.023 38.000 -0.133 0.000 1.492 296 I HN -0.103 nan 8.210 nan 0.000 0.522 297 T N 1.984 116.500 114.554 -0.064 0.000 2.838 297 T HA 0.409 4.759 4.350 -0.001 0.000 0.292 297 T C -0.386 174.278 174.700 -0.060 0.000 1.113 297 T CA -0.271 61.793 62.100 -0.060 0.000 1.008 297 T CB 2.019 70.856 68.868 -0.052 0.000 1.259 297 T HN 0.212 nan 8.240 nan 0.000 0.520 298 T N 2.848 117.364 114.554 -0.062 0.000 2.738 298 T HA 0.490 4.840 4.350 -0.001 0.000 0.298 298 T C 0.544 175.210 174.700 -0.057 0.000 0.962 298 T CA -0.529 61.536 62.100 -0.058 0.000 0.972 298 T CB 0.374 69.206 68.868 -0.059 0.000 0.928 298 T HN 0.811 nan 8.240 nan 0.000 0.474 299 T N 1.110 115.634 114.554 -0.049 0.000 2.814 299 T HA 0.374 4.723 4.350 -0.001 0.000 0.284 299 T C 1.334 176.008 174.700 -0.043 0.000 0.998 299 T CA -0.810 61.262 62.100 -0.046 0.000 0.935 299 T CB 1.015 69.859 68.868 -0.040 0.000 1.167 299 T HN 0.378 nan 8.240 nan 0.000 0.545 300 K N -0.138 120.239 120.400 -0.039 0.000 2.296 300 K HA 0.050 4.370 4.320 -0.001 0.000 0.200 300 K C 2.130 178.713 176.600 -0.029 0.000 1.048 300 K CA 0.488 56.754 56.287 -0.034 0.000 0.966 300 K CB 0.076 32.557 32.500 -0.031 0.000 0.754 300 K HN 0.317 nan 8.250 nan 0.000 0.466 301 K N -0.222 120.159 120.400 -0.031 0.000 2.121 301 K HA 0.099 4.419 4.320 -0.001 0.000 0.203 301 K C 1.390 177.978 176.600 -0.021 0.000 1.041 301 K CA 0.969 57.239 56.287 -0.028 0.000 0.969 301 K CB 0.175 32.653 32.500 -0.038 0.000 0.799 301 K HN 0.200 nan 8.250 nan 0.000 0.456 302 G N -0.126 108.660 108.800 -0.022 0.000 3.107 302 G HA2 0.446 4.405 3.960 -0.001 0.000 0.233 302 G HA3 0.446 4.405 3.960 -0.001 0.000 0.233 302 G C -1.271 173.613 174.900 -0.026 0.000 1.168 302 G CA -0.027 45.064 45.100 -0.015 0.000 0.801 302 G HN 0.202 nan 8.290 nan 0.000 0.605 303 S N -1.804 113.880 115.700 -0.027 0.000 2.556 303 S HA 0.554 5.024 4.470 -0.001 0.000 0.280 303 S C -1.702 172.870 174.600 -0.048 0.000 1.141 303 S CA -0.616 57.557 58.200 -0.045 0.000 0.883 303 S CB 1.584 64.748 63.200 -0.059 0.000 1.103 303 S HN 1.003 nan 8.310 nan 0.000 0.453 304 V N 2.341 122.219 119.914 -0.061 0.000 2.409 304 V HA 0.619 4.738 4.120 -0.001 0.000 0.291 304 V C -0.308 175.716 176.094 -0.117 0.000 1.020 304 V CA -0.311 61.942 62.300 -0.077 0.000 0.848 304 V CB 1.636 33.420 31.823 -0.065 0.000 0.990 304 V HN 1.028 nan 8.190 nan 0.000 0.430 305 T N 3.445 117.911 114.554 -0.148 0.000 2.772 305 T HA 0.372 4.721 4.350 -0.001 0.000 0.288 305 T C 0.060 174.594 174.700 -0.277 0.000 0.994 305 T CA -0.294 61.697 62.100 -0.182 0.000 0.951 305 T CB 1.169 69.951 68.868 -0.143 0.000 0.933 305 T HN 0.555 nan 8.240 nan 0.000 0.447 306 S N 2.333 117.859 115.700 -0.291 0.000 2.480 306 S HA 0.472 4.941 4.470 -0.001 0.000 0.286 306 S C 0.029 174.394 174.600 -0.391 0.000 1.180 306 S CA -0.692 57.288 58.200 -0.367 0.000 1.075 306 S CB 0.923 63.944 63.200 -0.297 0.000 0.996 306 S HN 0.515 nan 8.310 nan 0.000 0.487 307 V N 5.095 124.723 119.914 -0.478 0.000 2.275 307 V HA 0.304 4.424 4.120 -0.001 0.000 0.272 307 V C -0.293 175.706 176.094 -0.159 0.000 1.028 307 V CA -0.561 61.569 62.300 -0.282 0.000 0.810 307 V CB 0.622 32.403 31.823 -0.071 0.000 1.043 307 V HN 0.806 nan 8.190 nan 0.000 0.453 308 Q N 3.039 122.714 119.800 -0.209 0.000 2.271 308 Q HA 0.746 5.086 4.340 -0.001 0.000 0.258 308 Q C -0.010 175.867 176.000 -0.204 0.000 0.936 308 Q CA -0.503 55.186 55.803 -0.190 0.000 0.909 308 Q CB 2.344 30.950 28.738 -0.221 0.000 1.253 308 Q HN 0.784 nan 8.270 nan 0.000 0.440 309 A N 2.596 125.333 122.820 -0.137 0.000 2.362 309 A HA 0.466 4.785 4.320 -0.001 0.000 0.276 309 A C -0.351 177.158 177.584 -0.126 0.000 1.153 309 A CA -0.460 51.481 52.037 -0.160 0.000 0.813 309 A CB 0.448 19.424 19.000 -0.040 0.000 1.081 309 A HN 0.526 nan 8.150 nan 0.000 0.507 310 V N 3.627 123.386 119.914 -0.258 0.000 2.370 310 V HA 0.224 4.343 4.120 -0.001 0.000 0.283 310 V C -0.580 175.612 176.094 0.162 0.000 1.023 310 V CA -0.436 61.839 62.300 -0.041 0.000 0.857 310 V CB 0.980 32.739 31.823 -0.106 0.000 0.985 310 V HN 0.786 nan 8.190 nan 0.000 0.443 311 Y N 4.940 125.309 120.300 0.114 0.000 2.326 311 Y HA 0.583 5.133 4.550 -0.000 0.000 0.337 311 Y C -0.190 175.673 175.900 -0.063 0.000 1.023 311 Y CA -0.505 57.603 58.100 0.012 0.000 1.143 311 Y CB 1.572 39.965 38.460 -0.112 0.000 1.183 311 Y HN 0.393 nan 8.280 nan 0.000 0.485 312 V N 9.413 129.029 119.914 -0.497 0.000 2.294 312 V HA 0.287 4.406 4.120 -0.001 0.000 0.272 312 V C -2.240 173.527 176.094 -0.545 0.000 1.027 312 V CA -2.135 59.969 62.300 -0.327 0.000 0.823 312 V CB 0.728 32.460 31.823 -0.152 0.000 1.030 312 V HN 0.744 nan 8.190 nan 0.000 0.457 313 P HA 0.120 nan 4.420 nan 0.000 0.258 313 P C 0.625 177.885 177.300 -0.066 0.000 1.187 313 P CA 0.837 63.904 63.100 -0.055 0.000 0.767 313 P CB 0.483 32.243 31.700 0.101 0.000 0.770 314 A N 4.449 127.228 122.820 -0.068 0.000 2.872 314 A HA -0.235 4.085 4.320 -0.001 0.000 0.273 314 A C 0.804 178.338 177.584 -0.084 0.000 1.442 314 A CA 0.815 52.824 52.037 -0.046 0.000 0.801 314 A CB -2.520 16.480 19.000 0.000 0.000 1.031 314 A HN 0.612 nan 8.150 nan 0.000 0.582 315 D N -0.993 119.319 120.400 -0.148 0.000 2.686 315 D HA -0.181 4.458 4.640 -0.001 0.000 0.235 315 D C -0.298 175.933 176.300 -0.115 0.000 1.160 315 D CA 2.066 55.980 54.000 -0.144 0.000 0.645 315 D CB -0.672 40.058 40.800 -0.117 0.000 1.039 315 D HN 0.906 nan 8.370 nan 0.000 0.423 316 D N 0.061 120.397 120.400 -0.106 0.000 2.481 316 D HA 0.305 4.944 4.640 -0.001 0.000 0.246 316 D C 1.130 177.363 176.300 -0.111 0.000 1.109 316 D CA -0.606 53.343 54.000 -0.085 0.000 0.845 316 D CB 0.873 41.650 40.800 -0.038 0.000 1.160 316 D HN 0.036 nan 8.370 nan 0.000 0.534 317 L N 2.468 123.599 121.223 -0.153 0.000 2.558 317 L HA 0.090 4.430 4.340 -0.001 0.000 0.225 317 L C 1.957 178.714 176.870 -0.189 0.000 1.128 317 L CA 0.643 55.338 54.840 -0.241 0.000 0.868 317 L CB -0.098 41.774 42.059 -0.312 0.000 1.006 317 L HN 0.472 nan 8.230 nan 0.000 0.454 318 T N -5.138 109.351 114.554 -0.109 0.000 3.081 318 T HA 0.001 4.350 4.350 -0.001 0.000 0.250 318 T C 0.560 175.239 174.700 -0.035 0.000 1.100 318 T CA -0.377 61.681 62.100 -0.070 0.000 1.038 318 T CB -0.267 68.573 68.868 -0.047 0.000 0.962 318 T HN 0.125 nan 8.240 nan 0.000 0.516 319 D N 2.762 123.151 120.400 -0.020 0.000 2.488 319 D HA 0.117 4.756 4.640 -0.001 0.000 0.238 319 D C -1.470 174.819 176.300 -0.019 0.000 1.138 319 D CA -1.600 52.420 54.000 0.034 0.000 0.873 319 D CB 1.156 42.007 40.800 0.085 0.000 1.183 319 D HN -0.019 nan 8.370 nan 0.000 0.458 320 P HA -0.154 nan 4.420 nan 0.000 0.219 320 P C 0.544 177.649 177.300 -0.325 0.000 1.146 320 P CA 1.248 64.225 63.100 -0.205 0.000 0.808 320 P CB 0.102 31.637 31.700 -0.274 0.000 0.779 321 A N 0.039 122.641 122.820 -0.362 0.000 1.841 321 A HA -0.077 4.243 4.320 -0.001 0.000 0.214 321 A C -0.080 177.571 177.584 0.111 0.000 1.195 321 A CA 1.834 53.794 52.037 -0.129 0.000 0.611 321 A CB -2.113 17.045 19.000 0.264 0.000 0.835 321 A HN 0.206 nan 8.150 nan 0.000 0.443 322 P HA 0.033 nan 4.420 nan 0.000 0.215 322 P C 1.715 179.138 177.300 0.206 0.000 1.157 322 P CA 1.746 65.005 63.100 0.265 0.000 0.856 322 P CB -0.190 31.575 31.700 0.110 0.000 0.786 323 A N -0.641 122.193 122.820 0.024 0.000 1.997 323 A HA -0.236 4.083 4.320 -0.001 0.000 0.221 323 A C 2.195 179.828 177.584 0.082 0.000 1.172 323 A CA 2.651 54.691 52.037 0.005 0.000 0.645 323 A CB -1.968 17.011 19.000 -0.034 0.000 0.813 323 A HN 0.193 nan 8.150 nan 0.000 0.454 324 T N -1.166 113.442 114.554 0.090 0.000 2.894 324 T HA -0.043 4.306 4.350 -0.001 0.000 0.258 324 T C 2.050 176.880 174.700 0.216 0.000 1.043 324 T CA 1.608 63.778 62.100 0.117 0.000 1.141 324 T CB -0.343 68.569 68.868 0.073 0.000 0.873 324 T HN 0.546 nan 8.240 nan 0.000 0.449 325 T N 1.853 116.553 114.554 0.244 0.000 2.708 325 T HA -0.021 4.329 4.350 -0.001 0.000 0.266 325 T C 1.547 176.397 174.700 0.250 0.000 1.037 325 T CA 1.001 63.250 62.100 0.248 0.000 1.146 325 T CB -0.536 68.467 68.868 0.225 0.000 0.865 325 T HN 0.230 nan 8.240 nan 0.000 0.435 326 F N 1.782 121.786 119.950 0.090 0.000 2.250 326 F HA -0.016 4.511 4.527 -0.000 0.000 0.301 326 F C 2.513 178.335 175.800 0.036 0.000 1.077 326 F CA 0.415 58.456 58.000 0.068 0.000 1.348 326 F CB -0.776 38.260 39.000 0.061 0.000 1.040 326 F HN 0.140 nan 8.300 nan 0.000 0.509 327 A N -0.945 121.981 122.820 0.178 0.000 1.978 327 A HA -0.208 4.112 4.320 -0.001 0.000 0.220 327 A C 1.972 179.475 177.584 -0.133 0.000 1.170 327 A CA 1.800 53.833 52.037 -0.006 0.000 0.636 327 A CB -0.823 18.123 19.000 -0.090 0.000 0.810 327 A HN 0.483 nan 8.150 nan 0.000 0.448 328 H N -1.259 117.814 119.070 0.005 0.000 2.520 328 H HA 0.236 4.791 4.556 -0.001 0.000 0.279 328 H C 0.185 175.464 175.328 -0.082 0.000 0.990 328 H CA -0.014 56.010 56.048 -0.040 0.000 1.288 328 H CB -0.023 29.704 29.762 -0.057 0.000 1.446 328 H HN 0.317 nan 8.280 nan 0.000 0.538 329 L N 2.220 123.441 121.223 -0.003 0.000 2.513 329 L HA -0.068 4.272 4.340 -0.001 0.000 0.272 329 L C 1.152 177.971 176.870 -0.086 0.000 1.187 329 L CA 0.003 54.771 54.840 -0.120 0.000 0.895 329 L CB 0.722 42.608 42.059 -0.288 0.000 1.147 329 L HN 0.164 nan 8.230 nan 0.000 0.483 330 D N 2.091 122.427 120.400 -0.106 0.000 2.255 330 D HA 0.120 4.760 4.640 -0.001 0.000 0.224 330 D C 0.483 176.743 176.300 -0.067 0.000 0.997 330 D CA 0.906 54.860 54.000 -0.076 0.000 0.906 330 D CB 0.400 41.147 40.800 -0.088 0.000 1.047 330 D HN 0.611 nan 8.370 nan 0.000 0.458 331 A N 0.119 122.872 122.820 -0.111 0.000 2.346 331 A HA 0.630 4.950 4.320 -0.001 0.000 0.313 331 A C -0.289 177.240 177.584 -0.092 0.000 1.140 331 A CA -0.371 51.625 52.037 -0.070 0.000 0.826 331 A CB 1.566 20.539 19.000 -0.044 0.000 1.332 331 A HN 0.172 nan 8.150 nan 0.000 0.457 332 T N -2.029 112.528 114.554 0.005 0.000 2.893 332 T HA 0.706 5.056 4.350 -0.001 0.000 0.291 332 T C -0.744 174.022 174.700 0.111 0.000 1.028 332 T CA -0.524 61.615 62.100 0.065 0.000 0.995 332 T CB 1.602 70.617 68.868 0.244 0.000 1.051 332 T HN 0.481 nan 8.240 nan 0.000 0.470 333 T N 2.339 116.955 114.554 0.104 0.000 2.991 333 T HA 0.454 4.804 4.350 -0.001 0.000 0.347 333 T C -0.253 174.492 174.700 0.075 0.000 1.122 333 T CA -0.521 61.642 62.100 0.105 0.000 1.062 333 T CB 0.600 69.548 68.868 0.133 0.000 1.043 333 T HN 0.662 nan 8.240 nan 0.000 0.491 334 V N 5.249 125.233 119.914 0.116 0.000 2.432 334 V HA 0.351 4.470 4.120 -0.001 0.000 0.271 334 V C 0.248 176.343 176.094 0.001 0.000 1.046 334 V CA -0.627 61.746 62.300 0.122 0.000 0.945 334 V CB 0.833 32.705 31.823 0.083 0.000 0.992 334 V HN 0.748 nan 8.190 nan 0.000 0.471 335 L N 4.712 125.918 121.223 -0.028 0.000 2.360 335 L HA 0.353 4.693 4.340 -0.001 0.000 0.265 335 L C 0.692 177.537 176.870 -0.041 0.000 1.066 335 L CA 0.208 54.999 54.840 -0.082 0.000 0.929 335 L CB 0.964 42.932 42.059 -0.151 0.000 1.306 335 L HN 0.702 nan 8.230 nan 0.000 0.434 336 S N 1.546 117.224 115.700 -0.036 0.000 2.592 336 S HA 0.181 4.650 4.470 -0.001 0.000 0.271 336 S C 1.128 175.703 174.600 -0.042 0.000 1.326 336 S CA -0.303 57.880 58.200 -0.029 0.000 1.024 336 S CB 1.131 64.317 63.200 -0.024 0.000 0.921 336 S HN 0.700 nan 8.310 nan 0.000 0.527 337 R N 2.061 122.544 120.500 -0.028 0.000 2.297 337 R HA 0.143 4.483 4.340 -0.001 0.000 0.197 337 R C 1.831 178.119 176.300 -0.021 0.000 0.943 337 R CA 0.807 56.891 56.100 -0.028 0.000 1.038 337 R CB -0.664 29.631 30.300 -0.009 0.000 0.957 337 R HN 0.794 nan 8.270 nan 0.000 0.484 338 G N 0.331 109.122 108.800 -0.016 0.000 2.464 338 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.217 338 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.217 338 G C 1.081 175.980 174.900 -0.003 0.000 1.138 338 G CA 0.190 45.287 45.100 -0.004 0.000 0.793 338 G HN 0.156 nan 8.290 nan 0.000 0.539 339 I N 0.765 121.323 120.570 -0.020 0.000 2.584 339 I HA 0.027 4.197 4.170 -0.001 0.000 0.255 339 I C 2.826 178.912 176.117 -0.052 0.000 1.145 339 I CA 1.017 62.303 61.300 -0.024 0.000 1.462 339 I CB -0.048 37.931 38.000 -0.035 0.000 1.102 339 I HN 0.181 nan 8.210 nan 0.000 0.433 340 S N 0.015 115.657 115.700 -0.097 0.000 2.402 340 S HA -0.218 4.252 4.470 -0.001 0.000 0.229 340 S C 2.082 176.664 174.600 -0.030 0.000 1.021 340 S CA 1.362 59.469 58.200 -0.155 0.000 0.974 340 S CB -0.285 62.800 63.200 -0.192 0.000 0.800 340 S HN 0.510 nan 8.310 nan 0.000 0.484 341 E N 0.214 120.412 120.200 -0.002 0.000 2.153 341 E HA -0.060 4.289 4.350 -0.001 0.000 0.194 341 E C 1.382 178.012 176.600 0.050 0.000 0.988 341 E CA 0.879 57.297 56.400 0.029 0.000 0.811 341 E CB -0.110 29.603 29.700 0.023 0.000 0.746 341 E HN 0.552 nan 8.360 nan 0.000 0.466 342 L N -0.006 121.247 121.223 0.050 0.000 2.627 342 L HA 0.151 4.490 4.340 -0.001 0.000 0.233 342 L C 0.948 177.890 176.870 0.119 0.000 1.144 342 L CA 0.254 55.138 54.840 0.073 0.000 0.892 342 L CB -0.052 42.050 42.059 0.071 0.000 1.039 342 L HN 0.267 nan 8.230 nan 0.000 0.442 343 G N 1.637 110.521 108.800 0.140 0.000 2.333 343 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.296 343 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.296 343 G C -0.182 174.923 174.900 0.342 0.000 1.059 343 G CA -0.080 45.179 45.100 0.265 0.000 1.050 343 G HN 0.342 nan 8.290 nan 0.000 0.508 344 I N 0.129 120.789 120.570 0.149 0.000 2.418 344 I HA 0.466 4.636 4.170 -0.001 0.000 0.287 344 I C -0.570 175.485 176.117 -0.102 0.000 1.008 344 I CA -1.036 60.311 61.300 0.077 0.000 1.104 344 I CB 1.456 39.472 38.000 0.027 0.000 1.264 344 I HN 0.095 nan 8.210 nan 0.000 0.438 345 Y N 7.346 127.577 120.300 -0.114 0.000 2.350 345 Y HA 0.431 4.981 4.550 -0.000 0.000 0.338 345 Y C -2.242 173.482 175.900 -0.293 0.000 0.961 345 Y CA -2.489 55.523 58.100 -0.147 0.000 1.100 345 Y CB 1.781 40.146 38.460 -0.160 0.000 1.179 345 Y HN 0.350 nan 8.280 nan 0.000 0.454 346 P HA 0.147 nan 4.420 nan 0.000 0.274 346 P C -0.370 176.901 177.300 -0.047 0.000 1.237 346 P CA -0.381 62.775 63.100 0.093 0.000 0.793 346 P CB 1.098 33.084 31.700 0.477 0.000 0.977 347 A N 1.965 124.697 122.820 -0.148 0.000 2.728 347 A HA 0.236 4.555 4.320 -0.001 0.000 0.258 347 A C 0.506 178.041 177.584 -0.081 0.000 1.454 347 A CA -0.260 51.669 52.037 -0.180 0.000 1.146 347 A CB -1.302 17.541 19.000 -0.262 0.000 0.985 347 A HN 0.338 nan 8.150 nan 0.000 0.603 348 V N 0.823 120.727 119.914 -0.017 0.000 2.715 348 V HA 0.072 4.192 4.120 -0.001 0.000 0.299 348 V C 0.353 176.446 176.094 -0.001 0.000 1.054 348 V CA -0.436 61.865 62.300 0.002 0.000 1.077 348 V CB 1.159 33.032 31.823 0.083 0.000 0.972 348 V HN 0.555 nan 8.190 nan 0.000 0.484 349 D N 5.158 125.558 120.400 0.000 0.000 2.232 349 D HA 0.314 4.954 4.640 -0.001 0.000 0.242 349 D C -1.917 174.388 176.300 0.009 0.000 1.093 349 D CA -1.934 52.067 54.000 0.001 0.000 0.845 349 D CB 2.404 43.202 40.800 -0.004 0.000 1.124 349 D HN 0.220 nan 8.370 nan 0.000 0.467 350 P HA 0.116 nan 4.420 nan 0.000 0.226 350 P C 1.307 178.601 177.300 -0.009 0.000 1.161 350 P CA 0.440 63.536 63.100 -0.007 0.000 0.804 350 P CB 0.574 32.265 31.700 -0.015 0.000 0.829 351 L N -1.341 119.880 121.223 -0.003 0.000 2.463 351 L HA 0.078 4.418 4.340 -0.001 0.000 0.219 351 L C 1.459 178.326 176.870 -0.006 0.000 1.088 351 L CA 0.833 55.670 54.840 -0.005 0.000 0.849 351 L CB -0.398 41.663 42.059 0.002 0.000 1.012 351 L HN -0.131 nan 8.230 nan 0.000 0.468 352 D N -0.241 120.156 120.400 -0.005 0.000 2.202 352 D HA -0.017 4.622 4.640 -0.001 0.000 0.214 352 D C 0.865 177.172 176.300 0.012 0.000 0.967 352 D CA 0.576 54.569 54.000 -0.012 0.000 0.871 352 D CB 0.033 40.816 40.800 -0.028 0.000 1.020 352 D HN -0.028 nan 8.370 nan 0.000 0.474 353 S N 1.200 116.919 115.700 0.033 0.000 2.515 353 S HA 0.169 4.638 4.470 -0.001 0.000 0.285 353 S C 0.259 174.890 174.600 0.052 0.000 1.265 353 S CA 0.252 58.490 58.200 0.065 0.000 1.079 353 S CB 0.528 63.776 63.200 0.080 0.000 0.877 353 S HN 0.058 nan 8.310 nan 0.000 0.493 354 K N 1.313 121.750 120.400 0.061 0.000 2.443 354 K HA 0.617 4.937 4.320 -0.001 0.000 0.251 354 K C -0.729 175.902 176.600 0.053 0.000 0.972 354 K CA -0.687 55.628 56.287 0.046 0.000 0.833 354 K CB 2.101 34.623 32.500 0.037 0.000 1.317 354 K HN 0.466 nan 8.250 nan 0.000 0.441 355 S N 0.326 116.052 115.700 0.044 0.000 2.521 355 S HA 0.261 4.730 4.470 -0.001 0.000 0.295 355 S C 0.394 175.016 174.600 0.037 0.000 1.098 355 S CA -0.722 57.504 58.200 0.043 0.000 0.999 355 S CB 1.601 64.838 63.200 0.061 0.000 1.034 355 S HN 0.732 nan 8.310 nan 0.000 0.483 356 R N 3.218 123.734 120.500 0.026 0.000 2.189 356 R HA 0.219 4.559 4.340 -0.001 0.000 0.218 356 R C 0.739 177.059 176.300 0.034 0.000 1.074 356 R CA 0.970 57.087 56.100 0.028 0.000 0.991 356 R CB -0.108 30.199 30.300 0.013 0.000 0.883 356 R HN 0.714 nan 8.270 nan 0.000 0.457 357 L N 1.342 122.583 121.223 0.031 0.000 2.741 357 L HA 0.131 4.470 4.340 -0.001 0.000 0.237 357 L C 0.116 177.017 176.870 0.052 0.000 1.178 357 L CA -0.361 54.499 54.840 0.033 0.000 0.973 357 L CB 0.511 42.578 42.059 0.013 0.000 1.255 357 L HN 0.129 nan 8.230 nan 0.000 0.498 358 L N 0.971 122.235 121.223 0.069 0.000 2.672 358 L HA 0.208 4.547 4.340 -0.001 0.000 0.238 358 L C -0.264 176.730 176.870 0.208 0.000 1.392 358 L CA 0.402 55.295 54.840 0.088 0.000 1.238 358 L CB -0.662 41.411 42.059 0.024 0.000 1.548 358 L HN 0.025 nan 8.230 nan 0.000 0.423 359 D N -0.034 120.501 120.400 0.226 0.000 2.362 359 D HA 0.465 5.104 4.640 -0.001 0.000 0.247 359 D C 1.049 177.493 176.300 0.239 0.000 1.050 359 D CA 0.134 54.294 54.000 0.268 0.000 0.839 359 D CB 2.149 43.017 40.800 0.114 0.000 1.283 359 D HN 0.199 nan 8.370 nan 0.000 0.477 360 A N 3.098 125.974 122.820 0.093 0.000 2.076 360 A HA 0.020 4.340 4.320 -0.001 0.000 0.220 360 A C 1.682 179.258 177.584 -0.013 0.000 1.160 360 A CA 1.686 53.699 52.037 -0.039 0.000 0.653 360 A CB -0.447 18.302 19.000 -0.420 0.000 0.801 360 A HN 0.571 nan 8.150 nan 0.000 0.455 361 A N -1.159 121.650 122.820 -0.019 0.000 2.370 361 A HA 0.491 4.811 4.320 -0.001 0.000 0.238 361 A C 1.209 178.795 177.584 0.004 0.000 1.289 361 A CA 0.800 52.829 52.037 -0.013 0.000 0.885 361 A CB -0.068 18.919 19.000 -0.022 0.000 0.961 361 A HN 0.359 nan 8.150 nan 0.000 0.499 362 V N -1.621 118.305 119.914 0.019 0.000 3.177 362 V HA -0.020 4.100 4.120 -0.001 0.000 0.219 362 V C 1.877 177.964 176.094 -0.013 0.000 1.344 362 V CA 1.050 63.353 62.300 0.005 0.000 1.324 362 V CB 0.369 32.198 31.823 0.010 0.000 1.165 362 V HN 0.411 nan 8.190 nan 0.000 0.510 363 V N -1.018 118.891 119.914 -0.009 0.000 3.650 363 V HA 0.771 4.891 4.120 -0.001 0.000 0.271 363 V C 0.796 176.903 176.094 0.021 0.000 1.281 363 V CA 0.378 62.624 62.300 -0.089 0.000 1.120 363 V CB -0.409 31.229 31.823 -0.308 0.000 0.856 363 V HN 1.108 nan 8.190 nan 0.000 0.443 364 G N 0.685 109.528 108.800 0.071 0.000 2.788 364 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.686 364 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.686 364 G C -0.162 174.821 174.900 0.140 0.000 1.147 364 G CA 0.189 45.342 45.100 0.088 0.000 0.755 364 G HN 0.479 nan 8.290 nan 0.000 0.634 365 Q N 0.180 120.028 119.800 0.079 0.000 2.181 365 Q HA -0.087 4.253 4.340 -0.001 0.000 0.205 365 Q C 2.173 178.260 176.000 0.144 0.000 0.980 365 Q CA 2.835 58.681 55.803 0.072 0.000 0.862 365 Q CB -0.110 28.634 28.738 0.010 0.000 0.905 365 Q HN 0.810 nan 8.270 nan 0.000 0.429 366 E N -1.019 119.260 120.200 0.131 0.000 2.007 366 E HA -0.259 4.091 4.350 -0.001 0.000 0.194 366 E C 1.956 178.651 176.600 0.157 0.000 0.999 366 E CA 1.096 57.572 56.400 0.127 0.000 0.811 366 E CB -0.347 29.418 29.700 0.109 0.000 0.762 366 E HN 0.571 nan 8.360 nan 0.000 0.450 367 H N -0.484 118.641 119.070 0.091 0.000 2.353 367 H HA -0.218 4.338 4.556 -0.001 0.000 0.298 367 H C 2.051 177.428 175.328 0.082 0.000 1.103 367 H CA 2.081 58.173 56.048 0.073 0.000 1.293 367 H CB -0.370 29.428 29.762 0.061 0.000 1.372 367 H HN 0.314 nan 8.280 nan 0.000 0.501 368 Y N 1.930 122.334 120.300 0.173 0.000 2.070 368 Y HA -0.235 4.315 4.550 -0.001 0.000 0.280 368 Y C 2.430 178.342 175.900 0.020 0.000 1.148 368 Y CA 2.205 60.369 58.100 0.106 0.000 1.125 368 Y CB -0.469 38.042 38.460 0.086 0.000 0.975 368 Y HN 0.208 nan 8.280 nan 0.000 0.492 369 D N -0.619 119.962 120.400 0.301 0.000 2.123 369 D HA -0.182 4.458 4.640 -0.001 0.000 0.196 369 D C 2.387 178.708 176.300 0.035 0.000 0.992 369 D CA 1.740 55.849 54.000 0.181 0.000 0.833 369 D CB -0.367 40.523 40.800 0.149 0.000 0.954 369 D HN 0.326 nan 8.370 nan 0.000 0.455 370 V N 1.612 121.518 119.914 -0.013 0.000 2.295 370 V HA -0.234 3.885 4.120 -0.001 0.000 0.246 370 V C 2.614 178.617 176.094 -0.152 0.000 1.049 370 V CA 1.827 64.087 62.300 -0.066 0.000 1.024 370 V CB -0.848 30.922 31.823 -0.088 0.000 0.648 370 V HN 0.171 nan 8.190 nan 0.000 0.447 371 A N -0.285 122.379 122.820 -0.259 0.000 1.902 371 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 371 A C 2.465 179.916 177.584 -0.222 0.000 1.181 371 A CA 2.299 54.157 52.037 -0.299 0.000 0.623 371 A CB -0.700 18.101 19.000 -0.330 0.000 0.818 371 A HN 0.512 nan 8.150 nan 0.000 0.443 372 S N -0.431 115.138 115.700 -0.219 0.000 2.402 372 S HA -0.096 4.374 4.470 -0.001 0.000 0.229 372 S C 1.870 176.424 174.600 -0.077 0.000 1.021 372 S CA 1.419 59.520 58.200 -0.165 0.000 0.974 372 S CB -0.148 62.958 63.200 -0.157 0.000 0.800 372 S HN 0.623 nan 8.310 nan 0.000 0.484 373 K N 0.697 121.066 120.400 -0.053 0.000 2.155 373 K HA 0.041 4.360 4.320 -0.001 0.000 0.203 373 K C 1.973 178.561 176.600 -0.020 0.000 1.052 373 K CA 0.775 57.052 56.287 -0.017 0.000 0.948 373 K CB -0.204 32.300 32.500 0.006 0.000 0.728 373 K HN 0.161 nan 8.250 nan 0.000 0.448 374 V N 1.815 121.699 119.914 -0.050 0.000 2.261 374 V HA -0.271 3.848 4.120 -0.001 0.000 0.246 374 V C 2.222 178.289 176.094 -0.045 0.000 1.047 374 V CA 1.728 64.001 62.300 -0.045 0.000 1.015 374 V CB -0.482 31.263 31.823 -0.130 0.000 0.642 374 V HN 0.338 nan 8.190 nan 0.000 0.446 375 Q N -0.395 119.364 119.800 -0.068 0.000 2.084 375 Q HA -0.254 4.086 4.340 -0.001 0.000 0.202 375 Q C 2.359 178.348 176.000 -0.019 0.000 0.978 375 Q CA 1.856 57.630 55.803 -0.048 0.000 0.844 375 Q CB -0.176 28.522 28.738 -0.066 0.000 0.898 375 Q HN 0.683 nan 8.270 nan 0.000 0.426 376 E N -0.305 119.885 120.200 -0.017 0.000 2.110 376 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 376 E C 1.706 178.318 176.600 0.020 0.000 0.988 376 E CA 1.442 57.844 56.400 0.002 0.000 0.804 376 E CB 0.230 29.931 29.700 0.003 0.000 0.745 376 E HN 0.279 nan 8.360 nan 0.000 0.458 377 T N 0.912 115.477 114.554 0.019 0.000 2.770 377 T HA -0.081 4.269 4.350 -0.001 0.000 0.263 377 T C 1.835 176.573 174.700 0.063 0.000 1.039 377 T CA 0.775 62.897 62.100 0.037 0.000 1.142 377 T CB -0.123 68.760 68.868 0.024 0.000 0.868 377 T HN 0.136 nan 8.240 nan 0.000 0.435 378 L N 0.933 122.180 121.223 0.041 0.000 2.191 378 L HA -0.107 4.233 4.340 -0.001 0.000 0.212 378 L C 2.808 179.751 176.870 0.122 0.000 1.103 378 L CA 0.977 55.857 54.840 0.067 0.000 0.769 378 L CB -0.444 41.623 42.059 0.015 0.000 0.908 378 L HN 0.210 nan 8.230 nan 0.000 0.438 379 Q N 0.197 120.040 119.800 0.071 0.000 2.119 379 Q HA -0.150 4.190 4.340 -0.001 0.000 0.201 379 Q C 2.139 178.176 176.000 0.062 0.000 0.972 379 Q CA 2.131 57.968 55.803 0.057 0.000 0.847 379 Q CB -0.259 28.495 28.738 0.028 0.000 0.903 379 Q HN 0.555 nan 8.270 nan 0.000 0.433 380 T N -2.438 112.159 114.554 0.072 0.000 3.085 380 T HA -0.071 4.278 4.350 -0.001 0.000 0.263 380 T C 1.521 176.271 174.700 0.084 0.000 1.127 380 T CA 0.759 62.895 62.100 0.060 0.000 1.103 380 T CB -0.446 68.454 68.868 0.053 0.000 0.921 380 T HN 0.396 nan 8.240 nan 0.000 0.510 381 Y N 1.690 121.991 120.300 0.001 0.000 2.365 381 Y HA 0.286 4.836 4.550 -0.000 0.000 0.293 381 Y C 2.371 178.272 175.900 0.001 0.000 1.119 381 Y CA 0.775 58.876 58.100 0.002 0.000 1.203 381 Y CB 0.024 38.486 38.460 0.004 0.000 1.026 381 Y HN 0.045 nan 8.280 nan 0.000 0.549 382 K N 0.002 120.445 120.400 0.072 0.000 2.148 382 K HA -0.126 4.194 4.320 -0.001 0.000 0.204 382 K C 2.117 178.672 176.600 -0.074 0.000 1.050 382 K CA 1.420 57.703 56.287 -0.007 0.000 0.942 382 K CB -0.118 32.415 32.500 0.055 0.000 0.724 382 K HN 0.472 nan 8.250 nan 0.000 0.446 383 S N 0.417 116.084 115.700 -0.054 0.000 2.414 383 S HA -0.044 4.426 4.470 -0.001 0.000 0.227 383 S C 1.895 176.443 174.600 -0.086 0.000 1.022 383 S CA 0.411 58.579 58.200 -0.053 0.000 0.958 383 S CB -0.290 62.895 63.200 -0.025 0.000 0.797 383 S HN 0.262 nan 8.310 nan 0.000 0.493 384 L N 1.082 122.226 121.223 -0.131 0.000 2.376 384 L HA 0.010 4.349 4.340 -0.001 0.000 0.219 384 L C 2.597 179.357 176.870 -0.183 0.000 1.133 384 L CA 0.530 55.282 54.840 -0.147 0.000 0.816 384 L CB -0.428 41.535 42.059 -0.160 0.000 0.933 384 L HN 0.310 nan 8.230 nan 0.000 0.449 385 Q N 0.086 119.748 119.800 -0.230 0.000 2.376 385 Q HA -0.207 4.133 4.340 -0.001 0.000 0.211 385 Q C 1.323 177.258 176.000 -0.108 0.000 0.986 385 Q CA 1.198 56.886 55.803 -0.192 0.000 0.886 385 Q CB -0.242 28.395 28.738 -0.168 0.000 0.927 385 Q HN 0.596 nan 8.270 nan 0.000 0.457 386 D N 0.611 120.959 120.400 -0.087 0.000 2.084 386 D HA -0.117 4.522 4.640 -0.001 0.000 0.199 386 D C 2.037 178.308 176.300 -0.049 0.000 0.981 386 D CA 1.141 55.107 54.000 -0.057 0.000 0.841 386 D CB -0.309 40.463 40.800 -0.046 0.000 0.997 386 D HN 0.404 nan 8.370 nan 0.000 0.454 387 I N -0.903 119.637 120.570 -0.049 0.000 2.676 387 I HA -0.009 4.160 4.170 -0.001 0.000 0.259 387 I C 2.225 178.318 176.117 -0.039 0.000 1.194 387 I CA 0.763 62.040 61.300 -0.038 0.000 1.473 387 I CB -0.575 37.406 38.000 -0.032 0.000 1.096 387 I HN -0.085 nan 8.210 nan 0.000 0.443 388 I N 1.404 121.940 120.570 -0.056 0.000 2.439 388 I HA -0.170 3.999 4.170 -0.001 0.000 0.251 388 I C 2.692 178.785 176.117 -0.039 0.000 1.139 388 I CA 1.148 62.416 61.300 -0.052 0.000 1.438 388 I CB -0.304 37.646 38.000 -0.083 0.000 1.085 388 I HN 0.354 nan 8.210 nan 0.000 0.427 389 A N 0.512 123.307 122.820 -0.041 0.000 2.015 389 A HA -0.066 4.254 4.320 -0.001 0.000 0.219 389 A C 2.129 179.701 177.584 -0.019 0.000 1.163 389 A CA 1.339 53.359 52.037 -0.029 0.000 0.646 389 A CB -0.336 18.646 19.000 -0.030 0.000 0.806 389 A HN 0.446 nan 8.150 nan 0.000 0.448 390 I N -2.127 118.432 120.570 -0.020 0.000 3.718 390 I HA 0.076 4.245 4.170 -0.001 0.000 0.297 390 I C 2.028 178.138 176.117 -0.012 0.000 1.220 390 I CA 0.219 61.511 61.300 -0.014 0.000 1.381 390 I CB -0.005 37.986 38.000 -0.014 0.000 1.238 390 I HN 0.161 nan 8.210 nan 0.000 0.448 391 L N 0.251 121.465 121.223 -0.014 0.000 2.102 391 L HA 0.218 4.557 4.340 -0.001 0.000 0.202 391 L C 1.599 178.464 176.870 -0.008 0.000 1.076 391 L CA 1.423 56.257 54.840 -0.010 0.000 0.761 391 L CB -0.339 41.713 42.059 -0.012 0.000 0.921 391 L HN 0.504 nan 8.230 nan 0.000 0.444 392 G N -1.448 107.346 108.800 -0.010 0.000 1.649 392 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.099 392 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.099 392 G C 0.307 175.204 174.900 -0.004 0.000 1.449 392 G CA 0.209 45.306 45.100 -0.005 0.000 1.238 392 G HN 0.058 nan 8.290 nan 0.000 0.398 393 M N -0.179 119.421 119.600 -0.000 0.000 2.292 393 M HA 0.220 4.699 4.480 -0.001 0.000 0.449 393 M C -0.145 176.159 176.300 0.006 0.000 1.019 393 M CA 0.732 56.034 55.300 0.004 0.000 1.082 393 M CB 0.675 33.283 32.600 0.013 0.000 2.278 393 M HN 0.236 nan 8.290 nan 0.000 0.782 394 D N 1.180 121.583 120.400 0.004 0.000 2.349 394 D HA -0.027 4.613 4.640 -0.001 0.000 0.224 394 D C 1.383 177.685 176.300 0.003 0.000 1.029 394 D CA 0.621 54.624 54.000 0.005 0.000 0.879 394 D CB 0.233 41.036 40.800 0.004 0.000 0.906 394 D HN 0.358 nan 8.370 nan 0.000 0.528 395 E N 0.036 120.236 120.200 0.000 0.000 2.435 395 E HA 0.040 4.390 4.350 -0.001 0.000 0.195 395 E C 0.458 177.058 176.600 0.001 0.000 1.029 395 E CA 0.047 56.446 56.400 -0.001 0.000 0.865 395 E CB 0.333 30.029 29.700 -0.006 0.000 0.833 395 E HN 0.375 nan 8.360 nan 0.000 0.510 396 L N 2.333 123.558 121.223 0.004 0.000 2.410 396 L HA 0.029 4.369 4.340 -0.001 0.000 0.273 396 L C 1.134 178.009 176.870 0.009 0.000 1.144 396 L CA -0.330 54.515 54.840 0.008 0.000 0.863 396 L CB 0.674 42.742 42.059 0.014 0.000 1.140 396 L HN -0.008 nan 8.230 nan 0.000 0.463 397 S N 1.816 117.522 115.700 0.009 0.000 2.632 397 S HA 0.112 4.582 4.470 -0.001 0.000 0.267 397 S C 0.993 175.600 174.600 0.012 0.000 1.193 397 S CA -0.559 57.647 58.200 0.010 0.000 1.003 397 S CB 1.031 64.236 63.200 0.008 0.000 1.073 397 S HN 0.674 nan 8.310 nan 0.000 0.553 398 E N 0.695 120.902 120.200 0.012 0.000 2.033 398 E HA -0.235 4.114 4.350 -0.001 0.000 0.199 398 E C 2.058 178.668 176.600 0.016 0.000 1.011 398 E CA 1.991 58.399 56.400 0.013 0.000 0.815 398 E CB -0.592 29.114 29.700 0.011 0.000 0.755 398 E HN 0.771 nan 8.360 nan 0.000 0.451 399 Q N -0.182 119.627 119.800 0.016 0.000 2.297 399 Q HA -0.102 4.237 4.340 -0.001 0.000 0.204 399 Q C 1.596 177.609 176.000 0.023 0.000 0.962 399 Q CA 1.004 56.818 55.803 0.018 0.000 0.879 399 Q CB 0.116 28.864 28.738 0.017 0.000 0.947 399 Q HN 0.234 nan 8.270 nan 0.000 0.462 400 D N 0.879 121.291 120.400 0.021 0.000 2.234 400 D HA -0.099 4.541 4.640 -0.001 0.000 0.205 400 D C 1.547 177.866 176.300 0.031 0.000 0.962 400 D CA 1.081 55.095 54.000 0.024 0.000 0.855 400 D CB 0.155 40.964 40.800 0.016 0.000 0.951 400 D HN 0.399 nan 8.370 nan 0.000 0.500 401 K N -0.072 120.345 120.400 0.028 0.000 2.334 401 K HA 0.079 4.399 4.320 -0.001 0.000 0.195 401 K C 1.892 178.513 176.600 0.035 0.000 1.045 401 K CA -0.032 56.275 56.287 0.033 0.000 1.004 401 K CB -0.059 32.457 32.500 0.026 0.000 0.837 401 K HN -0.056 nan 8.250 nan 0.000 0.510 402 L N 2.858 124.099 121.223 0.029 0.000 2.109 402 L HA -0.070 4.270 4.340 -0.001 0.000 0.207 402 L C 2.188 179.075 176.870 0.028 0.000 1.086 402 L CA 2.180 57.036 54.840 0.026 0.000 0.760 402 L CB -0.511 41.561 42.059 0.022 0.000 0.910 402 L HN 0.466 nan 8.230 nan 0.000 0.437 403 T N -4.771 109.804 114.554 0.035 0.000 2.896 403 T HA -0.058 4.291 4.350 -0.001 0.000 0.263 403 T C 1.869 176.599 174.700 0.051 0.000 1.050 403 T CA 1.048 63.171 62.100 0.038 0.000 1.140 403 T CB -0.938 67.956 68.868 0.043 0.000 0.877 403 T HN 0.095 nan 8.240 nan 0.000 0.457 404 V N 2.034 121.997 119.914 0.082 0.000 2.392 404 V HA -0.185 3.935 4.120 -0.001 0.000 0.249 404 V C 2.775 178.916 176.094 0.077 0.000 1.059 404 V CA 2.117 64.503 62.300 0.142 0.000 1.051 404 V CB -0.806 31.112 31.823 0.159 0.000 0.658 404 V HN 0.606 nan 8.190 nan 0.000 0.455 405 E N 0.216 120.442 120.200 0.043 0.000 2.038 405 E HA -0.298 4.052 4.350 -0.001 0.000 0.195 405 E C 2.433 179.007 176.600 -0.043 0.000 1.000 405 E CA 1.592 58.000 56.400 0.014 0.000 0.803 405 E CB -0.003 29.709 29.700 0.020 0.000 0.750 405 E HN 0.424 nan 8.360 nan 0.000 0.448 406 R N 0.384 120.855 120.500 -0.048 0.000 2.083 406 R HA -0.118 4.222 4.340 -0.001 0.000 0.237 406 R C 2.259 178.471 176.300 -0.147 0.000 1.137 406 R CA 1.550 57.590 56.100 -0.099 0.000 0.951 406 R CB -0.830 29.438 30.300 -0.053 0.000 0.851 406 R HN 0.288 nan 8.270 nan 0.000 0.434 407 A N 0.726 123.469 122.820 -0.129 0.000 1.883 407 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 407 A C 1.995 179.342 177.584 -0.396 0.000 1.186 407 A CA 1.485 53.361 52.037 -0.268 0.000 0.624 407 A CB -0.413 18.414 19.000 -0.287 0.000 0.822 407 A HN 0.095 nan 8.150 nan 0.000 0.444 408 R N -0.187 120.138 120.500 -0.291 0.000 2.200 408 R HA -0.085 4.254 4.340 -0.001 0.000 0.234 408 R C 1.732 177.934 176.300 -0.164 0.000 1.127 408 R CA 1.622 57.602 56.100 -0.200 0.000 0.989 408 R CB -0.314 29.965 30.300 -0.035 0.000 0.869 408 R HN 0.663 nan 8.270 nan 0.000 0.459 409 K N -0.665 119.591 120.400 -0.239 0.000 2.190 409 K HA 0.180 4.499 4.320 -0.001 0.000 0.202 409 K C 2.149 178.509 176.600 -0.401 0.000 1.045 409 K CA 0.290 56.328 56.287 -0.416 0.000 0.976 409 K CB 0.095 32.145 32.500 -0.750 0.000 0.849 409 K HN 0.003 nan 8.250 nan 0.000 0.468 410 I N 1.851 122.251 120.570 -0.284 0.000 2.208 410 I HA -0.317 3.852 4.170 -0.001 0.000 0.245 410 I C 2.660 178.791 176.117 0.024 0.000 1.097 410 I CA 1.398 62.658 61.300 -0.066 0.000 1.363 410 I CB -0.234 37.779 38.000 0.021 0.000 1.051 410 I HN 0.281 nan 8.210 nan 0.000 0.413 411 Q N 1.007 120.760 119.800 -0.077 0.000 2.364 411 Q HA -0.154 4.186 4.340 -0.001 0.000 0.209 411 Q C 2.030 178.040 176.000 0.017 0.000 0.977 411 Q CA 1.172 56.943 55.803 -0.053 0.000 0.885 411 Q CB 0.164 28.808 28.738 -0.157 0.000 0.941 411 Q HN 0.490 nan 8.270 nan 0.000 0.464 412 R N -1.460 119.063 120.500 0.039 0.000 2.282 412 R HA 0.042 4.381 4.340 -0.001 0.000 0.195 412 R C 1.294 177.708 176.300 0.191 0.000 0.909 412 R CA 0.057 56.240 56.100 0.139 0.000 1.039 412 R CB 0.236 30.648 30.300 0.187 0.000 1.015 412 R HN 0.151 nan 8.270 nan 0.000 0.513 413 F N 0.889 120.826 119.950 -0.021 0.000 2.789 413 F HA 0.201 4.727 4.527 -0.001 0.000 0.300 413 F C 1.325 177.155 175.800 0.050 0.000 1.132 413 F CA 0.318 58.312 58.000 -0.009 0.000 1.404 413 F CB 0.197 39.071 39.000 -0.209 0.000 1.114 413 F HN -0.128 nan 8.300 nan 0.000 0.584 414 L N -0.298 120.924 121.223 -0.002 0.000 2.209 414 L HA -0.001 4.339 4.340 -0.001 0.000 0.207 414 L C 1.491 178.295 176.870 -0.109 0.000 1.094 414 L CA 0.487 55.311 54.840 -0.028 0.000 0.790 414 L CB -0.618 41.468 42.059 0.046 0.000 0.932 414 L HN 0.126 nan 8.230 nan 0.000 0.447 415 S N 0.182 115.817 115.700 -0.109 0.000 2.560 415 S HA 0.117 4.587 4.470 -0.001 0.000 0.284 415 S C -0.279 174.169 174.600 -0.253 0.000 1.327 415 S CA -0.413 57.683 58.200 -0.173 0.000 1.055 415 S CB 1.195 64.275 63.200 -0.199 0.000 0.868 415 S HN 0.311 nan 8.310 nan 0.000 0.506 416 Q N 1.958 121.557 119.800 -0.335 0.000 2.268 416 Q HA 0.382 4.722 4.340 -0.001 0.000 0.266 416 Q C -3.026 172.654 176.000 -0.533 0.000 1.006 416 Q CA -2.328 53.261 55.803 -0.358 0.000 0.824 416 Q CB 2.293 30.884 28.738 -0.244 0.000 1.306 416 Q HN 0.523 nan 8.270 nan 0.000 0.424 417 P HA 0.096 nan 4.420 nan 0.000 0.269 417 P C -0.948 176.281 177.300 -0.118 0.000 1.252 417 P CA 0.107 63.057 63.100 -0.250 0.000 0.780 417 P CB -0.011 31.609 31.700 -0.133 0.000 0.829 418 F N 2.121 122.055 119.950 -0.027 0.000 2.389 418 F HA 0.306 4.832 4.527 -0.001 0.000 0.337 418 F C 1.822 177.612 175.800 -0.017 0.000 1.112 418 F CA -0.962 57.021 58.000 -0.029 0.000 1.192 418 F CB 0.077 39.061 39.000 -0.027 0.000 1.185 418 F HN 0.362 nan 8.300 nan 0.000 0.552 419 A N 1.731 124.666 122.820 0.193 0.000 2.119 419 A HA 0.055 4.375 4.320 -0.001 0.000 0.216 419 A C 1.886 179.523 177.584 0.089 0.000 1.152 419 A CA 1.298 53.393 52.037 0.096 0.000 0.708 419 A CB -0.941 18.090 19.000 0.052 0.000 0.805 419 A HN 0.646 nan 8.150 nan 0.000 0.460 420 V N -3.114 116.861 119.914 0.102 0.000 2.535 420 V HA 0.161 4.280 4.120 -0.001 0.000 0.246 420 V C 2.180 178.376 176.094 0.171 0.000 1.045 420 V CA 1.361 63.716 62.300 0.090 0.000 1.058 420 V CB -1.059 30.778 31.823 0.023 0.000 0.689 420 V HN 0.401 nan 8.190 nan 0.000 0.461 421 A N 0.156 123.090 122.820 0.190 0.000 2.276 421 A HA 0.104 4.424 4.320 -0.001 0.000 0.212 421 A C 2.048 179.778 177.584 0.243 0.000 1.230 421 A CA 0.749 52.927 52.037 0.235 0.000 0.844 421 A CB -0.663 18.410 19.000 0.122 0.000 0.860 421 A HN 0.714 nan 8.150 nan 0.000 0.486 422 E N 0.369 120.667 120.200 0.163 0.000 2.077 422 E HA -0.160 4.190 4.350 -0.001 0.000 0.193 422 E C 1.439 178.067 176.600 0.046 0.000 0.989 422 E CA 1.844 58.295 56.400 0.084 0.000 0.800 422 E CB -0.161 29.569 29.700 0.050 0.000 0.746 422 E HN 0.557 nan 8.360 nan 0.000 0.452 423 V N -1.407 118.514 119.914 0.012 0.000 3.564 423 V HA 0.069 4.189 4.120 -0.001 0.000 0.283 423 V C 0.731 176.525 176.094 -0.501 0.000 1.227 423 V CA 0.634 62.802 62.300 -0.220 0.000 1.217 423 V CB -1.025 30.618 31.823 -0.301 0.000 0.994 423 V HN 0.206 nan 8.190 nan 0.000 0.446 424 F N 0.270 120.207 119.950 -0.022 0.000 2.675 424 F HA 0.138 4.664 4.527 -0.001 0.000 0.315 424 F C 2.344 178.120 175.800 -0.040 0.000 0.888 424 F CA 0.842 58.825 58.000 -0.028 0.000 1.100 424 F CB -0.025 38.958 39.000 -0.028 0.000 0.908 424 F HN 0.194 nan 8.300 nan 0.000 0.657 425 T N -3.288 111.349 114.554 0.137 0.000 3.040 425 T HA 0.427 4.776 4.350 -0.001 0.000 0.252 425 T C 1.992 176.702 174.700 0.018 0.000 1.064 425 T CA 0.930 63.056 62.100 0.042 0.000 1.110 425 T CB 0.307 69.173 68.868 -0.003 0.000 0.921 425 T HN 0.467 nan 8.240 nan 0.000 0.480 426 G N 2.132 110.940 108.800 0.014 0.000 2.417 426 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.233 426 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.233 426 G C 0.181 175.082 174.900 0.001 0.000 1.103 426 G CA 0.041 45.140 45.100 -0.002 0.000 0.647 426 G HN 0.706 nan 8.290 nan 0.000 0.512 427 I N 4.616 125.187 120.570 0.001 0.000 2.662 427 I HA 0.201 4.371 4.170 -0.001 0.000 0.285 427 I C -1.335 174.782 176.117 0.001 0.000 1.161 427 I CA -1.405 59.892 61.300 -0.004 0.000 1.415 427 I CB 0.385 38.373 38.000 -0.021 0.000 1.385 427 I HN 0.069 nan 8.210 nan 0.000 0.552 428 P HA 0.032 nan 4.420 nan 0.000 0.268 428 P C 0.080 177.387 177.300 0.012 0.000 1.205 428 P CA -0.096 63.008 63.100 0.008 0.000 0.771 428 P CB 0.553 32.255 31.700 0.004 0.000 0.858 429 G N 2.936 111.752 108.800 0.028 0.000 2.444 429 G HA2 0.350 4.309 3.960 -0.001 0.000 0.268 429 G HA3 0.350 4.309 3.960 -0.001 0.000 0.268 429 G C -0.436 174.485 174.900 0.034 0.000 1.203 429 G CA -0.358 44.769 45.100 0.046 0.000 0.835 429 G HN 0.288 nan 8.290 nan 0.000 0.543 430 K N 1.702 122.124 120.400 0.038 0.000 2.502 430 K HA 0.250 4.570 4.320 -0.001 0.000 0.254 430 K C -0.913 175.712 176.600 0.041 0.000 0.947 430 K CA -0.684 55.618 56.287 0.026 0.000 0.834 430 K CB 2.207 34.713 32.500 0.009 0.000 1.112 430 K HN 0.434 nan 8.250 nan 0.000 0.427 431 L N 4.155 125.395 121.223 0.028 0.000 2.295 431 L HA 0.217 4.557 4.340 -0.001 0.000 0.288 431 L C -0.628 176.250 176.870 0.015 0.000 1.079 431 L CA -0.612 54.241 54.840 0.022 0.000 0.830 431 L CB 0.553 42.611 42.059 -0.002 0.000 1.200 431 L HN 0.198 nan 8.230 nan 0.000 0.438 432 V N 6.345 126.272 119.914 0.021 0.000 2.389 432 V HA 0.306 4.425 4.120 -0.001 0.000 0.264 432 V C 0.631 176.738 176.094 0.022 0.000 1.049 432 V CA -0.490 61.823 62.300 0.022 0.000 0.932 432 V CB 0.634 32.468 31.823 0.017 0.000 1.011 432 V HN 0.753 nan 8.190 nan 0.000 0.475 433 R N 2.894 123.407 120.500 0.022 0.000 2.615 433 R HA 0.220 4.559 4.340 -0.001 0.000 0.270 433 R C 1.193 177.518 176.300 0.041 0.000 1.081 433 R CA -0.769 55.341 56.100 0.017 0.000 1.154 433 R CB 0.536 30.838 30.300 0.003 0.000 1.063 433 R HN 0.557 nan 8.270 nan 0.000 0.519 434 L N 2.447 123.694 121.223 0.040 0.000 1.990 434 L HA -0.272 4.067 4.340 -0.001 0.000 0.213 434 L C 1.830 178.754 176.870 0.090 0.000 1.072 434 L CA 1.993 56.872 54.840 0.065 0.000 0.755 434 L CB -0.305 41.782 42.059 0.047 0.000 0.889 434 L HN 0.495 nan 8.230 nan 0.000 0.432 435 K N -0.439 120.001 120.400 0.068 0.000 2.074 435 K HA -0.249 4.071 4.320 -0.001 0.000 0.209 435 K C 1.986 178.641 176.600 0.091 0.000 1.048 435 K CA 1.857 58.189 56.287 0.075 0.000 0.926 435 K CB -0.831 31.699 32.500 0.050 0.000 0.713 435 K HN 0.511 nan 8.250 nan 0.000 0.444 436 D N 0.350 120.801 120.400 0.086 0.000 2.103 436 D HA -0.084 4.556 4.640 -0.001 0.000 0.199 436 D C 1.524 177.912 176.300 0.147 0.000 0.978 436 D CA 1.503 55.561 54.000 0.098 0.000 0.829 436 D CB -0.067 40.781 40.800 0.080 0.000 0.981 436 D HN 0.114 nan 8.370 nan 0.000 0.464 437 T N -0.020 114.634 114.554 0.168 0.000 2.665 437 T HA -0.151 4.198 4.350 -0.001 0.000 0.268 437 T C 2.138 177.022 174.700 0.307 0.000 1.035 437 T CA 1.640 63.900 62.100 0.266 0.000 1.151 437 T CB -0.524 68.461 68.868 0.194 0.000 0.862 437 T HN 0.016 nan 8.240 nan 0.000 0.438 438 V N 1.737 121.763 119.914 0.187 0.000 2.332 438 V HA -0.174 3.945 4.120 -0.001 0.000 0.248 438 V C 2.894 179.081 176.094 0.156 0.000 1.055 438 V CA 1.711 64.091 62.300 0.132 0.000 1.038 438 V CB -1.300 30.608 31.823 0.140 0.000 0.651 438 V HN 0.563 nan 8.190 nan 0.000 0.450 439 A N -0.253 122.655 122.820 0.147 0.000 1.897 439 A HA -0.138 4.182 4.320 -0.001 0.000 0.215 439 A C 2.479 180.132 177.584 0.115 0.000 1.181 439 A CA 1.866 53.974 52.037 0.118 0.000 0.620 439 A CB -0.647 18.409 19.000 0.094 0.000 0.821 439 A HN 0.494 nan 8.150 nan 0.000 0.443 440 S N -0.482 115.300 115.700 0.135 0.000 2.359 440 S HA -0.142 4.327 4.470 -0.001 0.000 0.224 440 S C 1.641 176.224 174.600 -0.030 0.000 1.035 440 S CA 1.687 59.910 58.200 0.039 0.000 1.018 440 S CB -0.560 62.730 63.200 0.150 0.000 0.876 440 S HN 0.532 nan 8.310 nan 0.000 0.448 441 F N 1.746 121.751 119.950 0.092 0.000 2.146 441 F HA 0.009 4.535 4.527 -0.001 0.000 0.298 441 F C 2.395 178.200 175.800 0.009 0.000 1.096 441 F CA 1.146 59.182 58.000 0.061 0.000 1.275 441 F CB -0.327 38.714 39.000 0.068 0.000 1.008 441 F HN 0.077 nan 8.300 nan 0.000 0.480 442 K N 0.694 121.215 120.400 0.201 0.000 2.044 442 K HA -0.254 4.065 4.320 -0.001 0.000 0.210 442 K C 2.228 178.887 176.600 0.100 0.000 1.049 442 K CA 1.468 57.829 56.287 0.123 0.000 0.927 442 K CB -0.386 32.175 32.500 0.101 0.000 0.713 442 K HN 0.233 nan 8.250 nan 0.000 0.443 443 A N 0.690 123.566 122.820 0.094 0.000 1.883 443 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 443 A C 2.263 179.940 177.584 0.156 0.000 1.186 443 A CA 1.890 54.014 52.037 0.144 0.000 0.624 443 A CB -0.715 18.414 19.000 0.216 0.000 0.822 443 A HN 0.199 nan 8.150 nan 0.000 0.444 444 V N 0.109 120.047 119.914 0.040 0.000 2.407 444 V HA -0.251 3.868 4.120 -0.001 0.000 0.248 444 V C 2.524 178.639 176.094 0.035 0.000 1.055 444 V CA 1.833 64.137 62.300 0.007 0.000 1.049 444 V CB -0.815 30.883 31.823 -0.208 0.000 0.662 444 V HN 0.554 nan 8.190 nan 0.000 0.455 445 L N -0.256 121.000 121.223 0.054 0.000 2.083 445 L HA -0.189 4.151 4.340 -0.001 0.000 0.209 445 L C 2.601 179.502 176.870 0.051 0.000 1.083 445 L CA 1.647 56.520 54.840 0.056 0.000 0.752 445 L CB -0.569 41.532 42.059 0.071 0.000 0.899 445 L HN 0.410 nan 8.230 nan 0.000 0.433 446 E N -0.150 120.087 120.200 0.062 0.000 2.150 446 E HA -0.076 4.274 4.350 -0.001 0.000 0.193 446 E C 1.121 177.748 176.600 0.045 0.000 0.985 446 E CA 0.694 57.126 56.400 0.053 0.000 0.814 446 E CB -0.025 29.709 29.700 0.058 0.000 0.752 446 E HN 0.557 nan 8.360 nan 0.000 0.466 447 G N 1.369 110.205 108.800 0.060 0.000 2.309 447 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.183 447 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.183 447 G C 0.291 175.211 174.900 0.033 0.000 1.063 447 G CA -0.055 45.074 45.100 0.048 0.000 0.768 447 G HN 0.105 nan 8.290 nan 0.000 0.490 448 K N -0.646 119.791 120.400 0.060 0.000 2.397 448 K HA 0.363 4.683 4.320 -0.001 0.000 0.202 448 K C 0.218 176.606 176.600 -0.354 0.000 1.022 448 K CA 0.053 56.274 56.287 -0.111 0.000 1.141 448 K CB 0.349 32.773 32.500 -0.126 0.000 0.857 448 K HN 0.508 nan 8.250 nan 0.000 0.514 449 Y N -0.961 119.337 120.300 -0.003 0.000 2.830 449 Y HA 0.092 4.641 4.550 -0.001 0.000 0.255 449 Y C 0.301 176.230 175.900 0.048 0.000 1.130 449 Y CA -0.604 57.508 58.100 0.019 0.000 1.217 449 Y CB 0.630 39.108 38.460 0.030 0.000 1.296 449 Y HN -0.021 nan 8.280 nan 0.000 0.571 450 D N 0.429 120.898 120.400 0.115 0.000 2.309 450 D HA -0.161 4.478 4.640 -0.001 0.000 0.212 450 D C 1.778 178.126 176.300 0.081 0.000 0.968 450 D CA 1.374 55.424 54.000 0.084 0.000 0.882 450 D CB -0.056 40.769 40.800 0.042 0.000 0.918 450 D HN 0.471 nan 8.370 nan 0.000 0.503 451 N N 0.821 119.558 118.700 0.062 0.000 2.270 451 N HA -0.127 4.613 4.740 -0.001 0.000 0.181 451 N C 0.733 176.285 175.510 0.070 0.000 1.016 451 N CA 0.235 53.311 53.050 0.043 0.000 0.870 451 N CB -0.297 38.191 38.487 0.002 0.000 0.979 451 N HN 0.204 nan 8.380 nan 0.000 0.431 452 I N 3.415 124.055 120.570 0.118 0.000 2.533 452 I HA 0.088 4.258 4.170 -0.001 0.000 0.284 452 I C -1.777 174.439 176.117 0.165 0.000 1.109 452 I CA -1.594 59.767 61.300 0.101 0.000 1.412 452 I CB 0.491 38.533 38.000 0.070 0.000 1.396 452 I HN -0.030 nan 8.210 nan 0.000 0.543 453 P HA -0.019 nan 4.420 nan 0.000 0.270 453 P C -0.004 177.453 177.300 0.263 0.000 1.227 453 P CA 0.049 63.232 63.100 0.139 0.000 0.788 453 P CB 0.626 32.375 31.700 0.082 0.000 0.926 454 E N -0.430 119.931 120.200 0.269 0.000 2.347 454 E HA -0.178 4.172 4.350 -0.001 0.000 0.196 454 E C 1.635 178.451 176.600 0.360 0.000 1.008 454 E CA 0.717 57.327 56.400 0.350 0.000 0.852 454 E CB -0.409 29.401 29.700 0.185 0.000 0.783 454 E HN 0.613 nan 8.360 nan 0.000 0.505 455 H N 0.146 119.309 119.070 0.155 0.000 2.512 455 H HA 0.169 4.724 4.556 -0.001 0.000 0.279 455 H C 1.622 176.999 175.328 0.081 0.000 0.999 455 H CA 0.882 56.996 56.048 0.110 0.000 1.283 455 H CB 0.279 30.066 29.762 0.042 0.000 1.421 455 H HN 0.109 nan 8.280 nan 0.000 0.554 456 A N -0.742 122.097 122.820 0.032 0.000 2.261 456 A HA 0.078 4.398 4.320 -0.001 0.000 0.208 456 A C 0.631 177.955 177.584 -0.433 0.000 1.223 456 A CA 0.268 52.179 52.037 -0.210 0.000 0.833 456 A CB -0.690 18.105 19.000 -0.342 0.000 0.830 456 A HN 0.460 nan 8.150 nan 0.000 0.483 457 F N -3.143 116.832 119.950 0.042 0.000 2.740 457 F HA 0.232 4.759 4.527 -0.000 0.000 0.304 457 F C 0.576 176.441 175.800 0.108 0.000 1.098 457 F CA -0.686 57.367 58.000 0.089 0.000 1.258 457 F CB -0.051 38.991 39.000 0.070 0.000 1.061 457 F HN 0.262 nan 8.300 nan 0.000 0.598 458 Y N 2.953 123.286 120.300 0.056 0.000 2.605 458 Y HA 0.227 4.776 4.550 -0.001 0.000 0.336 458 Y C 0.624 176.490 175.900 -0.056 0.000 1.111 458 Y CA -0.875 57.199 58.100 -0.042 0.000 1.422 458 Y CB 0.026 38.363 38.460 -0.205 0.000 1.193 458 Y HN 0.071 nan 8.280 nan 0.000 0.526 459 M N 5.728 125.034 119.600 -0.490 0.000 2.399 459 M HA -0.164 4.315 4.480 -0.001 0.000 0.191 459 M C -1.219 174.984 176.300 -0.163 0.000 0.732 459 M CA 0.866 55.925 55.300 -0.401 0.000 0.512 459 M CB -2.640 29.673 32.600 -0.478 0.000 1.191 459 M HN 0.424 nan 8.290 nan 0.000 0.894 460 V N -2.610 117.249 119.914 -0.090 0.000 3.102 460 V HA 1.070 5.189 4.120 -0.001 0.000 0.312 460 V C 0.808 176.888 176.094 -0.023 0.000 1.135 460 V CA -0.091 62.198 62.300 -0.019 0.000 1.022 460 V CB 1.725 33.581 31.823 0.054 0.000 1.056 460 V HN 0.495 nan 8.190 nan 0.000 0.436 461 G N 1.157 109.958 108.800 0.003 0.000 3.107 461 G HA2 0.484 4.443 3.960 -0.001 0.000 0.155 461 G HA3 0.484 4.443 3.960 -0.001 0.000 0.155 461 G C 0.643 175.568 174.900 0.043 0.000 1.875 461 G CA 0.059 45.160 45.100 0.001 0.000 1.004 461 G HN 1.402 nan 8.290 nan 0.000 0.480 462 G N -0.999 107.841 108.800 0.066 0.000 2.441 462 G HA2 0.248 4.207 3.960 -0.001 0.000 0.258 462 G HA3 0.248 4.207 3.960 -0.001 0.000 0.258 462 G C 1.019 176.039 174.900 0.199 0.000 1.487 462 G CA 0.124 45.296 45.100 0.119 0.000 1.058 462 G HN 0.490 nan 8.290 nan 0.000 0.552 463 I N -1.043 119.597 120.570 0.116 0.000 2.703 463 I HA 0.046 4.215 4.170 -0.001 0.000 0.259 463 I C 2.481 178.555 176.117 -0.071 0.000 1.151 463 I CA 0.765 62.040 61.300 -0.041 0.000 1.470 463 I CB 0.040 37.954 38.000 -0.143 0.000 1.112 463 I HN 0.453 nan 8.210 nan 0.000 0.437 464 E N 0.995 121.188 120.200 -0.012 0.000 2.110 464 E HA -0.239 4.111 4.350 -0.001 0.000 0.193 464 E C 1.354 177.944 176.600 -0.017 0.000 0.988 464 E CA 1.372 57.767 56.400 -0.007 0.000 0.804 464 E CB -0.238 29.468 29.700 0.010 0.000 0.745 464 E HN 0.453 nan 8.360 nan 0.000 0.458 465 D N -0.729 119.667 120.400 -0.006 0.000 2.371 465 D HA -0.057 4.583 4.640 -0.001 0.000 0.221 465 D C 1.337 177.609 176.300 -0.047 0.000 0.986 465 D CA 0.306 54.299 54.000 -0.011 0.000 0.899 465 D CB 0.246 41.052 40.800 0.010 0.000 0.902 465 D HN 0.047 nan 8.370 nan 0.000 0.530 466 V N -0.308 119.548 119.914 -0.097 0.000 2.500 466 V HA -0.113 4.006 4.120 -0.001 0.000 0.243 466 V C 2.381 178.362 176.094 -0.189 0.000 1.039 466 V CA 0.638 62.802 62.300 -0.226 0.000 1.053 466 V CB -0.122 31.453 31.823 -0.414 0.000 0.695 466 V HN 0.076 nan 8.190 nan 0.000 0.463 467 V N 0.882 120.733 119.914 -0.105 0.000 2.295 467 V HA -0.218 3.901 4.120 -0.001 0.000 0.246 467 V C 2.765 178.835 176.094 -0.040 0.000 1.049 467 V CA 2.052 64.326 62.300 -0.042 0.000 1.024 467 V CB -1.245 30.586 31.823 0.014 0.000 0.648 467 V HN 0.527 nan 8.190 nan 0.000 0.447 468 A N -0.502 122.298 122.820 -0.033 0.000 2.019 468 A HA -0.241 4.079 4.320 -0.001 0.000 0.219 468 A C 2.310 179.878 177.584 -0.027 0.000 1.164 468 A CA 2.059 54.082 52.037 -0.023 0.000 0.644 468 A CB -0.432 18.559 19.000 -0.015 0.000 0.805 468 A HN 0.534 nan 8.150 nan 0.000 0.449 469 K N -0.794 119.579 120.400 -0.045 0.000 2.361 469 K HA 0.251 4.571 4.320 -0.001 0.000 0.196 469 K C 1.831 178.405 176.600 -0.044 0.000 1.039 469 K CA 0.694 56.959 56.287 -0.037 0.000 1.001 469 K CB -0.115 32.360 32.500 -0.042 0.000 0.795 469 K HN 0.361 nan 8.250 nan 0.000 0.495 470 A N 0.700 123.479 122.820 -0.068 0.000 2.016 470 A HA -0.081 4.238 4.320 -0.001 0.000 0.217 470 A C 1.758 179.322 177.584 -0.033 0.000 1.162 470 A CA 1.078 53.077 52.037 -0.062 0.000 0.662 470 A CB -0.145 18.810 19.000 -0.076 0.000 0.812 470 A HN 0.405 nan 8.150 nan 0.000 0.450 471 E N -0.540 119.645 120.200 -0.026 0.000 2.400 471 E HA 0.037 4.386 4.350 -0.001 0.000 0.195 471 E C 1.475 178.066 176.600 -0.015 0.000 1.012 471 E CA 0.231 56.620 56.400 -0.018 0.000 0.875 471 E CB 0.091 29.782 29.700 -0.015 0.000 0.859 471 E HN 0.527 nan 8.360 nan 0.000 0.498 472 K N 0.001 120.393 120.400 -0.014 0.000 2.361 472 K HA 0.058 4.377 4.320 -0.001 0.000 0.196 472 K C 1.810 178.404 176.600 -0.010 0.000 1.039 472 K CA 0.120 56.401 56.287 -0.009 0.000 1.001 472 K CB 0.361 32.858 32.500 -0.004 0.000 0.795 472 K HN 0.148 nan 8.250 nan 0.000 0.495 473 L N -0.020 121.195 121.223 -0.013 0.000 2.477 473 L HA 0.122 4.462 4.340 -0.001 0.000 0.220 473 L C 1.991 178.844 176.870 -0.028 0.000 1.106 473 L CA 0.323 55.149 54.840 -0.023 0.000 0.851 473 L CB 0.085 42.133 42.059 -0.018 0.000 0.994 473 L HN 0.038 nan 8.230 nan 0.000 0.462 474 A N 0.239 123.046 122.820 -0.021 0.000 1.970 474 A HA 0.235 4.555 4.320 -0.001 0.000 0.216 474 A C 1.531 179.104 177.584 -0.018 0.000 1.170 474 A CA 0.759 52.785 52.037 -0.019 0.000 0.645 474 A CB -0.559 18.431 19.000 -0.016 0.000 0.816 474 A HN 0.436 nan 8.150 nan 0.000 0.447 475 A N 0.000 122.810 122.820 -0.017 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 475 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 475 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486