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 2imp_1_A DATA FIRST_RESID 3 DATA SEQUENCE VPVQHPMYID GQFVTWRGDA WIDVVNPATE AVISRIPDGQ AEDARKAIDA DATA SEQUENCE AERAQPEWEA LPAIERASWL RKISAGIRER ASEISALIVE EGGKIQQLAE DATA SEQUENCE VEVAFTADYI DYMAEWARRY EGEIIQSDRP GENILLFKRA LGVTTGILPW DATA SEQUENCE NFPFFLIARK MAPALLTGNT IVIKPSEFTP NNAIAFAKIV DEIGLPRGVF DATA SEQUENCE NLVLGRGETV GQELAGNPKV AMVSMTGSVS AGEKIMATAA KNITKVXLEL DATA SEQUENCE GGKAPAIVMD DADLELAVKA IVDSRVINSG QVCNCAERVY VQKGIYDQFV DATA SEQUENCE NRLGEAMQAV QFGNPAERND IAMGPLINAA ALERVEQKVA RAVEEGARVA DATA SEQUENCE FGGKAVEGKG YYYPPTLLLD VRQEMSIMHE ETFGPVLPVV AFDTLEDAIS DATA SEQUENCE MANDSDYGLT SSIYTQNLNV AMKAIKGLKF GETYINRENF EAMQGFHAGW DATA SEQUENCE RKSGIGGADG KHGLHEYLQT QVVYLQS 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.050 176.094 -0.074 0.000 1.182 3 V CA 0.000 62.261 62.300 -0.065 0.000 1.235 3 V CB 0.000 31.768 31.823 -0.091 0.000 1.184 4 P HA 0.482 nan 4.420 nan 0.000 0.292 4 P C -0.523 176.674 177.300 -0.171 0.000 1.326 4 P CA 0.117 63.154 63.100 -0.105 0.000 0.787 4 P CB 1.800 33.446 31.700 -0.090 0.000 0.903 5 V N 3.701 123.499 119.914 -0.194 0.000 2.788 5 V HA -0.041 4.080 4.120 0.001 0.000 0.307 5 V C 0.187 176.036 176.094 -0.408 0.000 1.069 5 V CA 0.268 62.394 62.300 -0.290 0.000 1.173 5 V CB 0.194 31.821 31.823 -0.327 0.000 0.925 5 V HN 0.556 nan 8.190 nan 0.000 0.492 6 Q N 6.191 125.768 119.800 -0.371 0.000 2.398 6 Q HA 0.378 4.719 4.340 0.001 0.000 0.251 6 Q C -0.863 175.094 176.000 -0.072 0.000 0.999 6 Q CA -0.546 55.047 55.803 -0.351 0.000 0.874 6 Q CB 0.927 29.282 28.738 -0.638 0.000 1.215 6 Q HN 0.761 nan 8.270 nan 0.000 0.470 7 H N 3.660 122.849 119.070 0.199 0.000 2.652 7 H HA 0.238 4.794 4.556 0.001 0.000 0.349 7 H C -2.007 173.494 175.328 0.288 0.000 1.099 7 H CA -1.480 54.688 56.048 0.200 0.000 1.417 7 H CB 0.556 30.410 29.762 0.153 0.000 1.457 7 H HN 0.450 nan 8.280 nan 0.000 0.568 8 P HA 0.286 nan 4.420 nan 0.000 0.285 8 P C -0.229 177.302 177.300 0.385 0.000 1.280 8 P CA -0.711 62.613 63.100 0.373 0.000 0.862 8 P CB 1.865 33.783 31.700 0.364 0.000 1.153 9 M N 0.479 120.265 119.600 0.310 0.000 2.267 9 M HA 0.265 4.746 4.480 0.001 0.000 0.303 9 M C -0.392 176.107 176.300 0.332 0.000 1.164 9 M CA -0.415 55.038 55.300 0.254 0.000 1.060 9 M CB 0.544 33.210 32.600 0.111 0.000 1.455 9 M HN 0.323 nan 8.290 nan 0.000 0.483 10 Y N 1.914 122.246 120.300 0.053 0.000 2.464 10 Y HA 0.575 5.125 4.550 0.001 0.000 0.326 10 Y C -1.362 174.459 175.900 -0.132 0.000 0.969 10 Y CA -0.598 57.419 58.100 -0.138 0.000 1.270 10 Y CB 0.443 38.757 38.460 -0.243 0.000 1.103 10 Y HN 0.425 nan 8.280 nan 0.000 0.491 11 I N 5.084 125.396 120.570 -0.429 0.000 2.466 11 I HA 0.223 4.394 4.170 0.001 0.000 0.289 11 I C -0.377 175.495 176.117 -0.409 0.000 1.026 11 I CA -0.956 60.143 61.300 -0.335 0.000 1.078 11 I CB 1.797 39.702 38.000 -0.157 0.000 1.249 11 I HN 0.509 nan 8.210 nan 0.000 0.429 12 D N 5.289 125.484 120.400 -0.341 0.000 2.689 12 D HA -0.185 4.455 4.640 0.001 0.000 0.237 12 D C 0.977 177.079 176.300 -0.329 0.000 1.148 12 D CA 1.642 55.479 54.000 -0.272 0.000 0.656 12 D CB -0.764 39.931 40.800 -0.176 0.000 1.050 12 D HN 1.135 nan 8.370 nan 0.000 0.426 13 G N -0.058 108.443 108.800 -0.499 0.000 2.143 13 G HA2 -0.272 3.689 3.960 0.001 0.000 0.249 13 G HA3 -0.272 3.689 3.960 0.001 0.000 0.249 13 G C 0.029 174.664 174.900 -0.441 0.000 0.981 13 G CA 0.942 45.809 45.100 -0.388 0.000 0.665 13 G HN 1.002 nan 8.290 nan 0.000 0.528 14 Q N -1.349 117.988 119.800 -0.771 0.000 2.435 14 Q HA 0.695 5.036 4.340 0.001 0.000 0.282 14 Q C -0.974 174.780 176.000 -0.410 0.000 1.020 14 Q CA -1.316 54.254 55.803 -0.388 0.000 0.820 14 Q CB 0.983 29.646 28.738 -0.125 0.000 1.436 14 Q HN 0.140 nan 8.270 nan 0.000 0.395 15 F N 0.970 120.997 119.950 0.129 0.000 2.456 15 F HA 0.353 4.881 4.527 0.001 0.000 0.358 15 F C -0.084 175.782 175.800 0.109 0.000 1.095 15 F CA -0.312 57.812 58.000 0.206 0.000 1.216 15 F CB 1.350 40.511 39.000 0.270 0.000 1.125 15 F HN 0.271 nan 8.300 nan 0.000 0.549 16 V N 3.298 123.378 119.914 0.277 0.000 2.357 16 V HA 0.190 4.310 4.120 0.001 0.000 0.284 16 V C 0.032 176.277 176.094 0.250 0.000 1.018 16 V CA -0.896 61.522 62.300 0.196 0.000 0.841 16 V CB 1.336 33.226 31.823 0.111 0.000 0.991 16 V HN 0.729 nan 8.190 nan 0.000 0.437 17 T N 5.657 120.348 114.554 0.227 0.000 2.867 17 T HA -0.017 4.334 4.350 0.001 0.000 0.297 17 T C 0.011 174.878 174.700 0.279 0.000 0.989 17 T CA 0.138 62.394 62.100 0.260 0.000 1.159 17 T CB 0.172 69.161 68.868 0.201 0.000 0.928 17 T HN 0.710 nan 8.240 nan 0.000 0.538 18 W N 4.689 126.046 121.300 0.095 0.000 2.381 18 W HA 0.037 4.697 4.660 0.001 0.000 0.321 18 W C 0.173 176.680 176.519 -0.019 0.000 1.407 18 W CA -0.957 56.360 57.345 -0.047 0.000 1.274 18 W CB 0.409 29.689 29.460 -0.299 0.000 1.310 18 W HN 0.574 nan 8.180 nan 0.000 0.551 19 R N 3.920 124.049 120.500 -0.619 0.000 2.312 19 R HA 0.128 4.468 4.340 0.001 0.000 0.205 19 R C 1.073 176.846 176.300 -0.879 0.000 0.904 19 R CA 0.111 55.871 56.100 -0.567 0.000 1.052 19 R CB -0.294 29.796 30.300 -0.350 0.000 1.014 19 R HN 0.502 nan 8.270 nan 0.000 0.503 20 G N 0.538 108.186 108.800 -1.920 0.000 2.634 20 G HA2 0.048 4.008 3.960 0.001 0.000 0.255 20 G HA3 0.048 4.008 3.960 0.001 0.000 0.255 20 G C -0.060 174.526 174.900 -0.523 0.000 1.205 20 G CA -0.320 44.021 45.100 -1.265 0.000 0.884 20 G HN -0.018 nan 8.290 nan 0.000 0.549 21 D N -0.365 119.944 120.400 -0.151 0.000 2.366 21 D HA 0.204 4.845 4.640 0.001 0.000 0.205 21 D C 1.354 177.768 176.300 0.190 0.000 1.022 21 D CA 0.423 54.461 54.000 0.063 0.000 0.868 21 D CB 0.415 41.244 40.800 0.048 0.000 0.953 21 D HN 0.467 nan 8.370 nan 0.000 0.514 22 A N 0.446 123.356 122.820 0.150 0.000 2.289 22 A HA 0.523 4.843 4.320 0.001 0.000 0.298 22 A C -1.018 176.586 177.584 0.035 0.000 1.208 22 A CA -0.418 51.716 52.037 0.161 0.000 0.845 22 A CB 0.488 19.561 19.000 0.122 0.000 1.125 22 A HN 0.036 nan 8.150 nan 0.000 0.517 23 W N 1.179 122.558 121.300 0.132 0.000 2.882 23 W HA 0.655 5.316 4.660 0.001 0.000 0.345 23 W C -0.433 176.088 176.519 0.003 0.000 1.125 23 W CA -0.483 56.894 57.345 0.053 0.000 1.167 23 W CB 1.535 31.037 29.460 0.071 0.000 1.431 23 W HN 0.421 nan 8.180 nan 0.000 0.543 24 I N 2.721 123.427 120.570 0.227 0.000 2.362 24 I HA 0.156 4.327 4.170 0.001 0.000 0.289 24 I C -0.430 175.762 176.117 0.124 0.000 0.994 24 I CA -0.876 60.489 61.300 0.109 0.000 1.158 24 I CB 0.981 38.979 38.000 -0.003 0.000 1.315 24 I HN 0.191 nan 8.210 nan 0.000 0.451 25 D N 6.052 126.510 120.400 0.098 0.000 2.351 25 D HA 0.171 4.811 4.640 0.001 0.000 0.251 25 D C -0.321 176.032 176.300 0.088 0.000 1.137 25 D CA 0.040 54.091 54.000 0.085 0.000 0.879 25 D CB 2.176 43.019 40.800 0.071 0.000 1.181 25 D HN 0.058 nan 8.370 nan 0.000 0.448 26 V N 3.452 123.423 119.914 0.094 0.000 2.350 26 V HA 0.194 4.314 4.120 0.001 0.000 0.276 26 V C 0.510 176.668 176.094 0.106 0.000 1.028 26 V CA -0.643 61.725 62.300 0.114 0.000 0.860 26 V CB 1.563 33.463 31.823 0.128 0.000 0.990 26 V HN 0.227 nan 8.190 nan 0.000 0.453 27 V N 4.098 124.087 119.914 0.125 0.000 2.713 27 V HA 0.398 4.519 4.120 0.001 0.000 0.307 27 V C 0.328 176.478 176.094 0.094 0.000 1.052 27 V CA -0.899 61.463 62.300 0.104 0.000 0.967 27 V CB 2.080 33.977 31.823 0.124 0.000 1.019 27 V HN 0.862 nan 8.190 nan 0.000 0.459 28 N N 5.440 124.179 118.700 0.065 0.000 2.401 28 N HA 0.180 4.920 4.740 0.001 0.000 0.255 28 N C -1.329 174.202 175.510 0.034 0.000 1.110 28 N CA -1.811 51.266 53.050 0.045 0.000 0.949 28 N CB 1.663 40.167 38.487 0.028 0.000 1.110 28 N HN 0.360 nan 8.380 nan 0.000 0.490 29 P HA -0.143 nan 4.420 nan 0.000 0.222 29 P C 0.638 177.848 177.300 -0.150 0.000 1.142 29 P CA 0.941 64.072 63.100 0.053 0.000 0.788 29 P CB 0.351 32.043 31.700 -0.014 0.000 0.767 30 A N 0.020 122.783 122.820 -0.095 0.000 1.984 30 A HA 0.003 4.324 4.320 0.001 0.000 0.214 30 A C 2.060 179.650 177.584 0.011 0.000 1.173 30 A CA 1.875 53.891 52.037 -0.035 0.000 0.673 30 A CB -1.069 17.989 19.000 0.096 0.000 0.830 30 A HN 0.374 nan 8.150 nan 0.000 0.453 31 T N -5.124 109.410 114.554 -0.033 0.000 3.004 31 T HA 0.287 4.638 4.350 0.001 0.000 0.266 31 T C 0.392 175.049 174.700 -0.072 0.000 0.986 31 T CA 0.767 62.847 62.100 -0.034 0.000 0.902 31 T CB 0.013 68.879 68.868 -0.004 0.000 1.118 31 T HN 0.465 nan 8.240 nan 0.000 0.522 32 E N 0.123 120.267 120.200 -0.094 0.000 3.496 32 E HA -0.186 4.164 4.350 0.001 0.000 0.300 32 E C 0.339 176.940 176.600 0.002 0.000 0.877 32 E CA 0.312 56.679 56.400 -0.054 0.000 1.050 32 E CB -1.781 27.852 29.700 -0.112 0.000 1.532 32 E HN 0.856 nan 8.360 nan 0.000 0.447 33 A N 0.623 123.444 122.820 0.002 0.000 2.340 33 A HA 0.477 4.797 4.320 0.001 0.000 0.268 33 A C 0.442 178.041 177.584 0.025 0.000 1.100 33 A CA -0.318 51.725 52.037 0.010 0.000 0.803 33 A CB 0.879 19.881 19.000 0.004 0.000 1.043 33 A HN 0.073 nan 8.150 nan 0.000 0.488 34 V N 4.205 124.132 119.914 0.021 0.000 2.421 34 V HA 0.018 4.138 4.120 0.001 0.000 0.271 34 V C 1.379 177.482 176.094 0.015 0.000 1.031 34 V CA 0.764 63.079 62.300 0.024 0.000 1.032 34 V CB -0.217 31.614 31.823 0.013 0.000 1.009 34 V HN 0.801 nan 8.190 nan 0.000 0.477 35 I N 2.433 123.022 120.570 0.031 0.000 3.228 35 I HA 0.290 4.460 4.170 0.001 0.000 0.279 35 I C 0.802 176.932 176.117 0.022 0.000 1.221 35 I CA 0.402 61.720 61.300 0.029 0.000 1.458 35 I CB 0.380 38.409 38.000 0.049 0.000 1.105 35 I HN 0.676 nan 8.210 nan 0.000 0.445 36 S N 0.355 116.072 115.700 0.029 0.000 2.643 36 S HA 0.579 5.049 4.470 0.001 0.000 0.266 36 S C -0.886 173.729 174.600 0.026 0.000 1.130 36 S CA -1.080 57.121 58.200 0.003 0.000 0.817 36 S CB 1.970 65.228 63.200 0.096 0.000 1.107 36 S HN 0.330 nan 8.310 nan 0.000 0.471 37 R N 0.351 120.850 120.500 -0.001 0.000 2.621 37 R HA 0.719 5.059 4.340 0.001 0.000 0.284 37 R C -0.977 175.494 176.300 0.286 0.000 0.998 37 R CA -0.717 55.438 56.100 0.091 0.000 0.895 37 R CB 1.867 32.129 30.300 -0.064 0.000 1.195 37 R HN 0.824 nan 8.270 nan 0.000 0.450 38 I N -0.863 119.917 120.570 0.351 0.000 2.740 38 I HA 0.647 4.818 4.170 0.001 0.000 0.303 38 I C -2.526 173.636 176.117 0.075 0.000 1.044 38 I CA -3.073 58.406 61.300 0.298 0.000 1.064 38 I CB 2.352 40.422 38.000 0.116 0.000 1.249 38 I HN 0.327 nan 8.210 nan 0.000 0.433 39 P HA -0.014 nan 4.420 nan 0.000 0.268 39 P C -0.729 175.997 177.300 -0.955 0.000 1.205 39 P CA 0.191 62.434 63.100 -1.429 0.000 0.771 39 P CB 0.616 30.951 31.700 -2.274 0.000 0.858 40 D N 2.568 122.486 120.400 -0.803 0.000 2.801 40 D HA 0.167 4.807 4.640 0.001 0.000 0.232 40 D C 1.033 177.077 176.300 -0.426 0.000 1.128 40 D CA -0.098 53.667 54.000 -0.391 0.000 1.003 40 D CB -0.942 39.779 40.800 -0.131 0.000 1.110 40 D HN 0.371 nan 8.370 nan 0.000 0.477 41 G N 1.724 110.148 108.800 -0.627 0.000 2.583 41 G HA2 0.065 4.026 3.960 0.001 0.000 0.230 41 G HA3 0.065 4.026 3.960 0.001 0.000 0.230 41 G C 0.055 174.874 174.900 -0.135 0.000 1.249 41 G CA -0.165 44.662 45.100 -0.454 0.000 0.857 41 G HN 0.344 nan 8.290 nan 0.000 0.569 42 Q N -0.479 119.319 119.800 -0.004 0.000 2.528 42 Q HA 0.542 4.883 4.340 0.001 0.000 0.289 42 Q C 1.357 177.366 176.000 0.015 0.000 1.091 42 Q CA -0.294 55.527 55.803 0.030 0.000 0.797 42 Q CB 1.502 30.295 28.738 0.092 0.000 1.466 42 Q HN 0.558 nan 8.270 nan 0.000 0.436 43 A N 0.997 123.821 122.820 0.006 0.000 1.903 43 A HA -0.310 4.011 4.320 0.001 0.000 0.219 43 A C 1.671 179.257 177.584 0.003 0.000 1.191 43 A CA 2.581 54.616 52.037 -0.002 0.000 0.638 43 A CB -0.756 18.242 19.000 -0.003 0.000 0.823 43 A HN 0.836 nan 8.150 nan 0.000 0.451 44 E N -0.319 119.891 120.200 0.017 0.000 2.130 44 E HA -0.275 4.075 4.350 0.001 0.000 0.196 44 E C 1.101 177.714 176.600 0.022 0.000 0.998 44 E CA 1.437 57.847 56.400 0.017 0.000 0.806 44 E CB -0.686 29.027 29.700 0.020 0.000 0.738 44 E HN 0.641 nan 8.360 nan 0.000 0.459 45 D N 1.473 121.901 120.400 0.047 0.000 2.117 45 D HA -0.105 4.535 4.640 0.001 0.000 0.198 45 D C 2.084 178.381 176.300 -0.005 0.000 0.982 45 D CA 1.544 55.572 54.000 0.047 0.000 0.828 45 D CB -0.185 40.660 40.800 0.075 0.000 0.967 45 D HN 0.357 nan 8.370 nan 0.000 0.464 46 A N 1.584 124.392 122.820 -0.020 0.000 1.902 46 A HA -0.185 4.135 4.320 0.001 0.000 0.217 46 A C 2.200 179.761 177.584 -0.039 0.000 1.181 46 A CA 1.066 53.079 52.037 -0.040 0.000 0.623 46 A CB -0.431 18.544 19.000 -0.041 0.000 0.818 46 A HN 0.116 nan 8.150 nan 0.000 0.443 47 R N -0.134 120.350 120.500 -0.026 0.000 2.081 47 R HA -0.135 4.206 4.340 0.001 0.000 0.235 47 R C 2.168 178.448 176.300 -0.032 0.000 1.131 47 R CA 1.659 57.743 56.100 -0.027 0.000 0.960 47 R CB -0.345 29.944 30.300 -0.018 0.000 0.856 47 R HN 0.525 nan 8.270 nan 0.000 0.436 48 K N 0.469 120.852 120.400 -0.029 0.000 2.057 48 K HA -0.107 4.214 4.320 0.001 0.000 0.207 48 K C 2.208 178.773 176.600 -0.058 0.000 1.049 48 K CA 1.463 57.728 56.287 -0.037 0.000 0.931 48 K CB -0.170 32.314 32.500 -0.025 0.000 0.714 48 K HN 0.150 nan 8.250 nan 0.000 0.440 49 A N 1.423 124.203 122.820 -0.067 0.000 1.873 49 A HA -0.129 4.192 4.320 0.001 0.000 0.215 49 A C 2.133 179.661 177.584 -0.093 0.000 1.186 49 A CA 1.230 53.209 52.037 -0.096 0.000 0.616 49 A CB -0.557 18.379 19.000 -0.107 0.000 0.823 49 A HN 0.166 nan 8.150 nan 0.000 0.442 50 I N -0.046 120.480 120.570 -0.073 0.000 2.226 50 I HA -0.238 3.933 4.170 0.001 0.000 0.245 50 I C 1.785 177.870 176.117 -0.053 0.000 1.100 50 I CA 1.467 62.730 61.300 -0.062 0.000 1.374 50 I CB -0.462 37.509 38.000 -0.048 0.000 1.057 50 I HN 0.266 nan 8.210 nan 0.000 0.413 51 D N 1.079 121.451 120.400 -0.048 0.000 2.144 51 D HA -0.140 4.500 4.640 0.001 0.000 0.199 51 D C 2.245 178.515 176.300 -0.049 0.000 0.984 51 D CA 1.525 55.501 54.000 -0.041 0.000 0.834 51 D CB -0.111 40.668 40.800 -0.035 0.000 0.955 51 D HN 0.356 nan 8.370 nan 0.000 0.465 52 A N 1.122 123.902 122.820 -0.066 0.000 1.898 52 A HA -0.015 4.306 4.320 0.001 0.000 0.216 52 A C 2.335 179.869 177.584 -0.083 0.000 1.181 52 A CA 2.038 54.027 52.037 -0.080 0.000 0.620 52 A CB -0.652 18.282 19.000 -0.110 0.000 0.819 52 A HN 0.228 nan 8.150 nan 0.000 0.442 53 A N -0.326 122.441 122.820 -0.090 0.000 1.933 53 A HA -0.195 4.126 4.320 0.001 0.000 0.218 53 A C 2.032 179.585 177.584 -0.052 0.000 1.175 53 A CA 1.835 53.818 52.037 -0.090 0.000 0.628 53 A CB -0.519 18.424 19.000 -0.095 0.000 0.814 53 A HN 0.690 nan 8.150 nan 0.000 0.444 54 E N -0.244 119.934 120.200 -0.037 0.000 2.072 54 E HA -0.200 4.150 4.350 0.001 0.000 0.191 54 E C 2.243 178.839 176.600 -0.007 0.000 0.985 54 E CA 0.969 57.360 56.400 -0.015 0.000 0.801 54 E CB -0.126 29.565 29.700 -0.015 0.000 0.750 54 E HN 0.585 nan 8.360 nan 0.000 0.452 55 R N -0.189 120.300 120.500 -0.017 0.000 2.096 55 R HA -0.101 4.239 4.340 0.001 0.000 0.235 55 R C 2.229 178.530 176.300 0.002 0.000 1.127 55 R CA 1.138 57.232 56.100 -0.010 0.000 0.968 55 R CB -0.184 30.104 30.300 -0.021 0.000 0.861 55 R HN 0.162 nan 8.270 nan 0.000 0.440 56 A N 0.461 123.276 122.820 -0.009 0.000 2.081 56 A HA -0.076 4.245 4.320 0.001 0.000 0.214 56 A C 2.033 179.662 177.584 0.076 0.000 1.158 56 A CA 0.289 52.332 52.037 0.009 0.000 0.724 56 A CB -0.105 18.862 19.000 -0.055 0.000 0.826 56 A HN 0.150 nan 8.150 nan 0.000 0.463 57 Q N 0.469 120.309 119.800 0.067 0.000 2.061 57 Q HA -0.155 4.186 4.340 0.001 0.000 0.204 57 Q C -0.690 175.408 176.000 0.163 0.000 0.984 57 Q CA 2.376 58.259 55.803 0.133 0.000 0.846 57 Q CB -1.260 27.531 28.738 0.087 0.000 0.902 57 Q HN 0.419 nan 8.270 nan 0.000 0.421 58 P HA -0.141 nan 4.420 nan 0.000 0.214 58 P C 0.927 178.287 177.300 0.099 0.000 1.163 58 P CA 1.584 64.734 63.100 0.084 0.000 0.889 58 P CB -0.167 31.565 31.700 0.053 0.000 0.790 59 E N -1.633 118.636 120.200 0.114 0.000 2.110 59 E HA -0.204 4.147 4.350 0.001 0.000 0.193 59 E C 1.913 178.620 176.600 0.178 0.000 0.988 59 E CA 0.798 57.272 56.400 0.123 0.000 0.804 59 E CB -0.556 29.217 29.700 0.122 0.000 0.745 59 E HN 0.397 nan 8.360 nan 0.000 0.458 60 W N 1.912 123.226 121.300 0.023 0.000 2.378 60 W HA -0.200 4.461 4.660 0.001 0.000 0.313 60 W C 1.963 178.516 176.519 0.056 0.000 1.197 60 W CA 1.491 58.856 57.345 0.033 0.000 1.304 60 W CB -0.032 29.436 29.460 0.013 0.000 1.148 60 W HN 0.070 nan 8.180 nan 0.000 0.494 61 E N 0.542 120.804 120.200 0.104 0.000 2.153 61 E HA -0.177 4.173 4.350 0.001 0.000 0.194 61 E C 2.192 178.769 176.600 -0.039 0.000 0.988 61 E CA 1.409 57.808 56.400 -0.001 0.000 0.811 61 E CB -0.320 29.427 29.700 0.078 0.000 0.746 61 E HN 0.173 nan 8.360 nan 0.000 0.466 62 A N 0.815 123.632 122.820 -0.006 0.000 2.067 62 A HA -0.006 4.315 4.320 0.001 0.000 0.219 62 A C 1.090 178.650 177.584 -0.040 0.000 1.158 62 A CA 0.309 52.339 52.037 -0.011 0.000 0.661 62 A CB -0.373 18.636 19.000 0.015 0.000 0.801 62 A HN 0.224 nan 8.150 nan 0.000 0.452 63 L N 0.765 121.934 121.223 -0.090 0.000 2.453 63 L HA 0.156 4.497 4.340 0.001 0.000 0.272 63 L C -2.188 174.608 176.870 -0.125 0.000 1.182 63 L CA -1.774 52.998 54.840 -0.114 0.000 0.858 63 L CB 0.280 42.215 42.059 -0.208 0.000 1.120 63 L HN 0.063 nan 8.230 nan 0.000 0.474 64 P HA -0.043 nan 4.420 nan 0.000 0.266 64 P C 0.166 177.415 177.300 -0.084 0.000 1.195 64 P CA 0.075 63.136 63.100 -0.065 0.000 0.768 64 P CB 0.815 32.486 31.700 -0.048 0.000 0.838 65 A N 3.428 126.218 122.820 -0.051 0.000 1.948 65 A HA -0.234 4.087 4.320 0.001 0.000 0.220 65 A C 1.957 179.530 177.584 -0.019 0.000 1.177 65 A CA 1.712 53.741 52.037 -0.014 0.000 0.636 65 A CB -1.501 17.538 19.000 0.065 0.000 0.815 65 A HN 0.605 nan 8.150 nan 0.000 0.449 66 I N 0.074 120.625 120.570 -0.030 0.000 2.454 66 I HA -0.210 3.960 4.170 0.001 0.000 0.254 66 I C 2.053 178.142 176.117 -0.047 0.000 1.156 66 I CA 1.799 63.079 61.300 -0.033 0.000 1.433 66 I CB -0.280 37.694 38.000 -0.043 0.000 1.082 66 I HN 0.460 nan 8.210 nan 0.000 0.432 67 E N -0.177 119.985 120.200 -0.063 0.000 2.152 67 E HA -0.166 4.185 4.350 0.001 0.000 0.192 67 E C 2.277 178.873 176.600 -0.007 0.000 0.983 67 E CA 0.687 57.044 56.400 -0.071 0.000 0.818 67 E CB -0.060 29.610 29.700 -0.050 0.000 0.758 67 E HN 0.497 nan 8.360 nan 0.000 0.467 68 R N 0.406 120.865 120.500 -0.067 0.000 2.092 68 R HA -0.034 4.307 4.340 0.001 0.000 0.231 68 R C 2.359 178.778 176.300 0.198 0.000 1.119 68 R CA 0.954 57.038 56.100 -0.027 0.000 0.970 68 R CB -0.226 29.880 30.300 -0.323 0.000 0.864 68 R HN 0.073 nan 8.270 nan 0.000 0.440 69 A N 0.643 123.518 122.820 0.092 0.000 1.902 69 A HA -0.203 4.118 4.320 0.001 0.000 0.217 69 A C 2.213 179.840 177.584 0.071 0.000 1.181 69 A CA 1.873 53.963 52.037 0.089 0.000 0.623 69 A CB -0.648 18.373 19.000 0.035 0.000 0.818 69 A HN 0.300 nan 8.150 nan 0.000 0.443 70 S N -1.553 114.146 115.700 -0.001 0.000 2.370 70 S HA -0.229 4.242 4.470 0.001 0.000 0.226 70 S C 1.729 176.291 174.600 -0.063 0.000 1.033 70 S CA 1.627 59.768 58.200 -0.097 0.000 1.011 70 S CB -0.503 62.556 63.200 -0.234 0.000 0.852 70 S HN 0.715 nan 8.310 nan 0.000 0.457 71 W N 1.347 122.709 121.300 0.103 0.000 2.358 71 W HA 0.007 4.667 4.660 0.001 0.000 0.303 71 W C 2.183 178.769 176.519 0.112 0.000 1.208 71 W CA 0.529 57.965 57.345 0.152 0.000 1.274 71 W CB -0.371 29.290 29.460 0.336 0.000 1.138 71 W HN 0.287 nan 8.180 nan 0.000 0.515 72 L N -0.168 121.268 121.223 0.355 0.000 2.046 72 L HA -0.204 4.137 4.340 0.001 0.000 0.208 72 L C 2.475 179.422 176.870 0.128 0.000 1.077 72 L CA 1.363 56.336 54.840 0.221 0.000 0.747 72 L CB -0.751 41.426 42.059 0.197 0.000 0.896 72 L HN -0.038 nan 8.230 nan 0.000 0.432 73 R N 0.052 120.607 120.500 0.091 0.000 2.120 73 R HA -0.152 4.189 4.340 0.001 0.000 0.234 73 R C 2.285 178.605 176.300 0.033 0.000 1.123 73 R CA 1.168 57.293 56.100 0.042 0.000 0.975 73 R CB -0.109 30.195 30.300 0.007 0.000 0.866 73 R HN 0.332 nan 8.270 nan 0.000 0.446 74 K N 0.256 120.685 120.400 0.048 0.000 2.097 74 K HA -0.084 4.237 4.320 0.001 0.000 0.205 74 K C 1.976 178.594 176.600 0.030 0.000 1.050 74 K CA 1.141 57.454 56.287 0.043 0.000 0.938 74 K CB -0.038 32.513 32.500 0.084 0.000 0.718 74 K HN 0.171 nan 8.250 nan 0.000 0.442 75 I N 1.120 121.705 120.570 0.026 0.000 2.202 75 I HA -0.286 3.884 4.170 0.001 0.000 0.242 75 I C 2.603 178.666 176.117 -0.090 0.000 1.091 75 I CA 1.340 62.584 61.300 -0.095 0.000 1.368 75 I CB -0.442 37.461 38.000 -0.162 0.000 1.058 75 I HN 0.202 nan 8.210 nan 0.000 0.410 76 S N 1.540 117.233 115.700 -0.011 0.000 2.368 76 S HA -0.182 4.288 4.470 0.001 0.000 0.225 76 S C 2.251 176.868 174.600 0.030 0.000 1.030 76 S CA 0.981 59.199 58.200 0.029 0.000 0.999 76 S CB -0.672 62.564 63.200 0.060 0.000 0.844 76 S HN 0.402 nan 8.310 nan 0.000 0.459 77 A N 1.825 124.656 122.820 0.018 0.000 1.933 77 A HA 0.213 4.534 4.320 0.001 0.000 0.218 77 A C 2.383 179.973 177.584 0.011 0.000 1.175 77 A CA 1.551 53.599 52.037 0.017 0.000 0.628 77 A CB -1.696 17.310 19.000 0.010 0.000 0.814 77 A HN 0.677 nan 8.150 nan 0.000 0.444 78 G N -0.097 108.697 108.800 -0.010 0.000 2.408 78 G HA2 -0.136 3.825 3.960 0.001 0.000 0.217 78 G HA3 -0.136 3.825 3.960 0.001 0.000 0.217 78 G C 1.511 176.407 174.900 -0.007 0.000 1.150 78 G CA 1.017 46.105 45.100 -0.021 0.000 0.776 78 G HN 0.476 nan 8.290 nan 0.000 0.542 79 I N 0.177 120.751 120.570 0.006 0.000 2.179 79 I HA -0.158 4.013 4.170 0.001 0.000 0.242 79 I C 3.030 179.198 176.117 0.085 0.000 1.088 79 I CA 0.944 62.296 61.300 0.086 0.000 1.357 79 I CB -0.193 37.922 38.000 0.191 0.000 1.051 79 I HN 0.088 nan 8.210 nan 0.000 0.409 80 R N 0.644 121.189 120.500 0.075 0.000 2.096 80 R HA -0.187 4.154 4.340 0.001 0.000 0.235 80 R C 2.098 178.423 176.300 0.041 0.000 1.127 80 R CA 1.374 57.514 56.100 0.065 0.000 0.968 80 R CB -0.346 29.990 30.300 0.059 0.000 0.861 80 R HN 0.471 nan 8.270 nan 0.000 0.440 81 E N 0.274 120.492 120.200 0.030 0.000 2.153 81 E HA -0.150 4.201 4.350 0.001 0.000 0.194 81 E C 1.277 177.886 176.600 0.015 0.000 0.988 81 E CA 0.963 57.375 56.400 0.020 0.000 0.811 81 E CB 0.120 29.829 29.700 0.015 0.000 0.746 81 E HN 0.264 nan 8.360 nan 0.000 0.466 82 R N -0.348 120.160 120.500 0.013 0.000 2.507 82 R HA 0.295 4.636 4.340 0.001 0.000 0.298 82 R C 1.589 177.881 176.300 -0.014 0.000 0.999 82 R CA 0.210 56.310 56.100 0.001 0.000 1.082 82 R CB 0.627 30.926 30.300 -0.002 0.000 1.246 82 R HN 0.028 nan 8.270 nan 0.000 0.553 83 A N 1.696 124.517 122.820 0.002 0.000 1.881 83 A HA -0.318 4.002 4.320 0.001 0.000 0.219 83 A C 2.231 179.798 177.584 -0.028 0.000 1.215 83 A CA 2.585 54.619 52.037 -0.004 0.000 0.648 83 A CB -0.819 18.200 19.000 0.031 0.000 0.832 83 A HN 0.448 nan 8.150 nan 0.000 0.455 84 S N -0.463 115.230 115.700 -0.011 0.000 2.383 84 S HA -0.255 4.215 4.470 0.001 0.000 0.229 84 S C 1.915 176.499 174.600 -0.027 0.000 1.030 84 S CA 1.624 59.816 58.200 -0.014 0.000 1.002 84 S CB -0.556 62.643 63.200 -0.002 0.000 0.829 84 S HN 0.703 nan 8.310 nan 0.000 0.467 85 E N 1.197 121.380 120.200 -0.029 0.000 2.051 85 E HA -0.134 4.216 4.350 0.001 0.000 0.192 85 E C 2.040 178.603 176.600 -0.061 0.000 0.991 85 E CA 1.551 57.932 56.400 -0.031 0.000 0.799 85 E CB -0.268 29.420 29.700 -0.020 0.000 0.748 85 E HN 0.702 nan 8.360 nan 0.000 0.449 86 I N 0.589 121.091 120.570 -0.114 0.000 2.315 86 I HA -0.216 3.955 4.170 0.001 0.000 0.248 86 I C 2.533 178.526 176.117 -0.206 0.000 1.117 86 I CA 0.688 61.853 61.300 -0.225 0.000 1.404 86 I CB -0.209 37.521 38.000 -0.449 0.000 1.071 86 I HN 0.047 nan 8.210 nan 0.000 0.419 87 S N 0.994 116.609 115.700 -0.141 0.000 2.370 87 S HA -0.200 4.271 4.470 0.001 0.000 0.226 87 S C 2.289 176.859 174.600 -0.050 0.000 1.033 87 S CA 1.468 59.618 58.200 -0.084 0.000 1.011 87 S CB -0.388 62.789 63.200 -0.039 0.000 0.852 87 S HN 0.557 nan 8.310 nan 0.000 0.457 88 A N 1.375 124.172 122.820 -0.038 0.000 1.933 88 A HA -0.006 4.315 4.320 0.001 0.000 0.218 88 A C 2.114 179.692 177.584 -0.008 0.000 1.175 88 A CA 1.112 53.139 52.037 -0.016 0.000 0.628 88 A CB -0.711 18.284 19.000 -0.009 0.000 0.814 88 A HN 0.454 nan 8.150 nan 0.000 0.444 89 L N -0.552 120.659 121.223 -0.020 0.000 2.046 89 L HA -0.200 4.141 4.340 0.001 0.000 0.208 89 L C 2.495 179.374 176.870 0.015 0.000 1.077 89 L CA 1.373 56.214 54.840 0.002 0.000 0.747 89 L CB -0.566 41.488 42.059 -0.009 0.000 0.896 89 L HN 0.390 nan 8.230 nan 0.000 0.432 90 I N -0.982 119.582 120.570 -0.011 0.000 2.179 90 I HA -0.256 3.915 4.170 0.001 0.000 0.242 90 I C 2.507 178.638 176.117 0.024 0.000 1.088 90 I CA 1.012 62.322 61.300 0.016 0.000 1.357 90 I CB -0.370 37.626 38.000 -0.007 0.000 1.051 90 I HN 0.014 nan 8.210 nan 0.000 0.409 91 V N 1.004 120.922 119.914 0.008 0.000 2.252 91 V HA -0.352 3.769 4.120 0.001 0.000 0.249 91 V C 2.546 178.656 176.094 0.026 0.000 1.056 91 V CA 2.422 64.730 62.300 0.014 0.000 1.022 91 V CB -0.744 31.085 31.823 0.010 0.000 0.641 91 V HN 0.522 nan 8.190 nan 0.000 0.445 92 E N 0.377 120.594 120.200 0.028 0.000 2.058 92 E HA -0.288 4.062 4.350 0.001 0.000 0.194 92 E C 2.224 178.852 176.600 0.046 0.000 0.997 92 E CA 1.904 58.325 56.400 0.035 0.000 0.801 92 E CB -0.092 29.629 29.700 0.036 0.000 0.746 92 E HN 0.881 nan 8.360 nan 0.000 0.450 93 E N -1.389 118.848 120.200 0.062 0.000 2.276 93 E HA 0.026 4.377 4.350 0.001 0.000 0.193 93 E C 1.934 178.585 176.600 0.084 0.000 0.983 93 E CA 0.706 57.156 56.400 0.083 0.000 0.861 93 E CB 0.178 29.945 29.700 0.111 0.000 0.817 93 E HN 0.231 nan 8.360 nan 0.000 0.485 94 G N 0.592 109.444 108.800 0.086 0.000 2.744 94 G HA2 0.208 4.168 3.960 0.001 0.000 0.211 94 G HA3 0.208 4.168 3.960 0.001 0.000 0.211 94 G C 1.227 176.158 174.900 0.050 0.000 1.146 94 G CA 0.111 45.277 45.100 0.110 0.000 0.787 94 G HN 0.521 nan 8.290 nan 0.000 0.534 95 G N 0.363 109.176 108.800 0.022 0.000 2.155 95 G HA2 -0.300 3.660 3.960 0.001 0.000 0.257 95 G HA3 -0.300 3.660 3.960 0.001 0.000 0.257 95 G C 0.444 175.353 174.900 0.015 0.000 0.983 95 G CA 0.814 45.913 45.100 -0.002 0.000 0.676 95 G HN 0.959 nan 8.290 nan 0.000 0.528 96 K N 0.537 120.947 120.400 0.018 0.000 2.118 96 K HA 0.687 5.008 4.320 0.001 0.000 0.264 96 K C 1.210 177.813 176.600 0.005 0.000 1.000 96 K CA -0.705 55.583 56.287 0.001 0.000 0.929 96 K CB 1.352 33.818 32.500 -0.056 0.000 1.021 96 K HN 0.726 nan 8.250 nan 0.000 0.463 97 I N -0.254 120.322 120.570 0.010 0.000 2.752 97 I HA -0.112 4.059 4.170 0.001 0.000 0.287 97 I C 0.864 176.984 176.117 0.004 0.000 1.188 97 I CA -0.284 61.027 61.300 0.018 0.000 1.427 97 I CB 0.538 38.552 38.000 0.024 0.000 1.365 97 I HN 0.780 nan 8.210 nan 0.000 0.585 98 Q N 2.987 122.793 119.800 0.011 0.000 2.118 98 Q HA -0.302 4.039 4.340 0.001 0.000 0.211 98 Q C 1.949 177.953 176.000 0.007 0.000 0.998 98 Q CA 2.579 58.386 55.803 0.007 0.000 0.872 98 Q CB -0.216 28.528 28.738 0.010 0.000 0.925 98 Q HN 0.777 nan 8.270 nan 0.000 0.414 99 Q N 0.208 120.013 119.800 0.009 0.000 2.084 99 Q HA -0.113 4.228 4.340 0.001 0.000 0.202 99 Q C 2.002 178.009 176.000 0.012 0.000 0.978 99 Q CA 1.226 57.037 55.803 0.014 0.000 0.844 99 Q CB -0.113 28.634 28.738 0.014 0.000 0.898 99 Q HN 0.380 nan 8.270 nan 0.000 0.426 100 L N -0.491 120.727 121.223 -0.008 0.000 2.109 100 L HA -0.065 4.276 4.340 0.001 0.000 0.207 100 L C 2.342 179.193 176.870 -0.031 0.000 1.086 100 L CA 0.801 55.623 54.840 -0.031 0.000 0.760 100 L CB -0.694 41.317 42.059 -0.080 0.000 0.910 100 L HN 0.222 nan 8.230 nan 0.000 0.437 101 A N 0.259 123.060 122.820 -0.031 0.000 1.883 101 A HA -0.246 4.075 4.320 0.001 0.000 0.217 101 A C 2.178 179.776 177.584 0.024 0.000 1.186 101 A CA 1.812 53.838 52.037 -0.018 0.000 0.624 101 A CB -0.496 18.491 19.000 -0.021 0.000 0.822 101 A HN 0.427 nan 8.150 nan 0.000 0.444 102 E N -0.542 119.674 120.200 0.028 0.000 2.085 102 E HA -0.150 4.201 4.350 0.001 0.000 0.194 102 E C 2.016 178.674 176.600 0.097 0.000 0.994 102 E CA 1.409 57.839 56.400 0.050 0.000 0.801 102 E CB -0.279 29.446 29.700 0.041 0.000 0.743 102 E HN 0.400 nan 8.360 nan 0.000 0.453 103 V N 1.248 121.221 119.914 0.099 0.000 2.295 103 V HA -0.280 3.841 4.120 0.001 0.000 0.246 103 V C 2.359 178.592 176.094 0.232 0.000 1.049 103 V CA 2.075 64.464 62.300 0.148 0.000 1.024 103 V CB -0.488 31.405 31.823 0.117 0.000 0.648 103 V HN 0.317 nan 8.190 nan 0.000 0.447 104 E N 0.016 120.343 120.200 0.212 0.000 2.070 104 E HA -0.227 4.124 4.350 0.001 0.000 0.197 104 E C 2.199 179.064 176.600 0.441 0.000 1.004 104 E CA 2.006 58.609 56.400 0.338 0.000 0.805 104 E CB -0.072 29.786 29.700 0.263 0.000 0.744 104 E HN 0.420 nan 8.360 nan 0.000 0.451 105 V N 1.169 121.275 119.914 0.321 0.000 2.295 105 V HA -0.285 3.835 4.120 0.001 0.000 0.246 105 V C 2.482 178.786 176.094 0.350 0.000 1.049 105 V CA 1.928 64.434 62.300 0.343 0.000 1.024 105 V CB -0.877 31.000 31.823 0.091 0.000 0.648 105 V HN 0.464 nan 8.190 nan 0.000 0.447 106 A N -0.609 122.369 122.820 0.264 0.000 1.902 106 A HA -0.247 4.074 4.320 0.001 0.000 0.217 106 A C 2.122 179.878 177.584 0.287 0.000 1.181 106 A CA 2.057 54.235 52.037 0.236 0.000 0.623 106 A CB -0.740 18.373 19.000 0.187 0.000 0.818 106 A HN 0.520 nan 8.150 nan 0.000 0.443 107 F N 1.415 121.476 119.950 0.183 0.000 2.134 107 F HA -0.137 4.391 4.527 0.001 0.000 0.299 107 F C 2.466 178.422 175.800 0.260 0.000 1.097 107 F CA 2.169 60.267 58.000 0.163 0.000 1.264 107 F CB -0.698 38.357 39.000 0.092 0.000 1.001 107 F HN 0.208 nan 8.300 nan 0.000 0.479 108 T N 0.500 115.273 114.554 0.365 0.000 2.720 108 T HA -0.198 4.153 4.350 0.001 0.000 0.268 108 T C 2.221 177.068 174.700 0.244 0.000 1.037 108 T CA 1.477 63.790 62.100 0.355 0.000 1.144 108 T CB -0.823 68.315 68.868 0.450 0.000 0.864 108 T HN 0.365 nan 8.240 nan 0.000 0.444 109 A N 1.962 124.925 122.820 0.240 0.000 1.902 109 A HA -0.143 4.178 4.320 0.001 0.000 0.217 109 A C 2.122 179.779 177.584 0.121 0.000 1.181 109 A CA 1.693 53.835 52.037 0.175 0.000 0.623 109 A CB -0.614 18.485 19.000 0.165 0.000 0.818 109 A HN 0.356 nan 8.150 nan 0.000 0.443 110 D N -1.670 118.779 120.400 0.081 0.000 2.144 110 D HA -0.152 4.489 4.640 0.001 0.000 0.199 110 D C 1.658 177.970 176.300 0.020 0.000 0.984 110 D CA 1.423 55.440 54.000 0.029 0.000 0.834 110 D CB -0.453 40.346 40.800 -0.002 0.000 0.955 110 D HN 0.605 nan 8.370 nan 0.000 0.465 111 Y N 1.468 121.652 120.300 -0.193 0.000 2.145 111 Y HA -0.174 4.376 4.550 0.001 0.000 0.286 111 Y C 2.267 178.229 175.900 0.103 0.000 1.145 111 Y CA 1.278 59.318 58.100 -0.100 0.000 1.148 111 Y CB -0.287 38.094 38.460 -0.131 0.000 0.981 111 Y HN -0.105 nan 8.280 nan 0.000 0.507 112 I N -0.127 120.622 120.570 0.298 0.000 2.163 112 I HA -0.340 3.830 4.170 0.001 0.000 0.243 112 I C 1.988 178.166 176.117 0.102 0.000 1.085 112 I CA 1.661 63.088 61.300 0.213 0.000 1.347 112 I CB -0.498 37.612 38.000 0.184 0.000 1.044 112 I HN 0.225 nan 8.210 nan 0.000 0.408 113 D N 0.160 120.607 120.400 0.079 0.000 2.104 113 D HA -0.247 4.394 4.640 0.001 0.000 0.194 113 D C 1.920 178.208 176.300 -0.019 0.000 0.994 113 D CA 1.427 55.445 54.000 0.031 0.000 0.830 113 D CB -0.458 40.361 40.800 0.032 0.000 0.959 113 D HN 0.380 nan 8.370 nan 0.000 0.452 114 Y N 1.050 121.275 120.300 -0.126 0.000 2.128 114 Y HA -0.247 4.304 4.550 0.001 0.000 0.284 114 Y C 2.200 177.970 175.900 -0.216 0.000 1.154 114 Y CA 1.616 59.591 58.100 -0.208 0.000 1.149 114 Y CB -0.279 38.026 38.460 -0.259 0.000 0.976 114 Y HN -0.154 nan 8.280 nan 0.000 0.505 115 M N 0.228 119.648 119.600 -0.300 0.000 2.159 115 M HA -0.162 4.319 4.480 0.001 0.000 0.263 115 M C 2.468 178.724 176.300 -0.075 0.000 1.063 115 M CA 1.639 56.836 55.300 -0.173 0.000 1.110 115 M CB -1.712 30.896 32.600 0.013 0.000 1.374 115 M HN 0.513 nan 8.290 nan 0.000 0.411 116 A N 0.143 122.930 122.820 -0.055 0.000 2.024 116 A HA -0.176 4.145 4.320 0.001 0.000 0.220 116 A C 1.908 179.451 177.584 -0.069 0.000 1.164 116 A CA 1.536 53.569 52.037 -0.006 0.000 0.643 116 A CB -0.750 18.259 19.000 0.014 0.000 0.806 116 A HN 0.627 nan 8.150 nan 0.000 0.451 117 E N -1.612 118.449 120.200 -0.232 0.000 2.409 117 E HA -0.187 4.164 4.350 0.001 0.000 0.198 117 E C 1.243 177.647 176.600 -0.327 0.000 1.024 117 E CA 0.630 56.840 56.400 -0.317 0.000 0.861 117 E CB -0.202 29.218 29.700 -0.468 0.000 0.788 117 E HN 0.920 nan 8.360 nan 0.000 0.521 118 W N 0.935 122.139 121.300 -0.159 0.000 2.800 118 W HA 0.045 4.705 4.660 0.001 0.000 0.249 118 W C 2.404 178.981 176.519 0.097 0.000 1.294 118 W CA 0.283 57.595 57.345 -0.055 0.000 1.402 118 W CB 0.078 29.497 29.460 -0.069 0.000 1.126 118 W HN 0.093 nan 8.180 nan 0.000 0.652 119 A N 1.417 124.387 122.820 0.251 0.000 1.894 119 A HA -0.305 4.015 4.320 0.001 0.000 0.220 119 A C 1.831 179.460 177.584 0.074 0.000 1.237 119 A CA 2.202 54.359 52.037 0.200 0.000 0.660 119 A CB -0.771 18.276 19.000 0.078 0.000 0.835 119 A HN 0.373 nan 8.150 nan 0.000 0.461 120 R N -1.321 119.187 120.500 0.013 0.000 2.356 120 R HA 0.227 4.568 4.340 0.001 0.000 0.234 120 R C 1.768 178.045 176.300 -0.038 0.000 0.929 120 R CA 0.232 56.298 56.100 -0.058 0.000 1.084 120 R CB 0.141 30.410 30.300 -0.052 0.000 1.105 120 R HN 0.517 nan 8.270 nan 0.000 0.515 121 R N -0.292 120.256 120.500 0.080 0.000 2.221 121 R HA 0.070 4.411 4.340 0.001 0.000 0.195 121 R C -0.075 176.380 176.300 0.259 0.000 0.956 121 R CA -0.052 56.164 56.100 0.193 0.000 1.064 121 R CB 0.180 30.666 30.300 0.309 0.000 1.049 121 R HN 0.172 nan 8.270 nan 0.000 0.534 122 Y N 2.511 122.946 120.300 0.225 0.000 2.632 122 Y HA 0.174 4.724 4.550 0.001 0.000 0.329 122 Y C -0.527 175.413 175.900 0.067 0.000 1.174 122 Y CA -0.697 57.476 58.100 0.123 0.000 1.469 122 Y CB 0.168 38.669 38.460 0.069 0.000 1.242 122 Y HN -0.115 nan 8.280 nan 0.000 0.540 123 E N 3.345 123.618 120.200 0.122 0.000 2.202 123 E HA 0.561 4.912 4.350 0.001 0.000 0.272 123 E C -0.004 176.584 176.600 -0.021 0.000 0.951 123 E CA -0.946 55.454 56.400 0.001 0.000 0.813 123 E CB 1.790 31.488 29.700 -0.003 0.000 1.151 123 E HN 0.914 nan 8.360 nan 0.000 0.398 124 G N 1.370 110.127 108.800 -0.072 0.000 2.557 124 G HA2 0.457 4.418 3.960 0.001 0.000 0.302 124 G HA3 0.457 4.418 3.960 0.001 0.000 0.302 124 G C -0.638 174.173 174.900 -0.149 0.000 1.311 124 G CA -0.395 44.637 45.100 -0.113 0.000 1.030 124 G HN 0.498 nan 8.290 nan 0.000 0.509 125 E N -1.428 118.657 120.200 -0.191 0.000 2.367 125 E HA 0.464 4.815 4.350 0.001 0.000 0.273 125 E C -1.126 175.349 176.600 -0.208 0.000 0.903 125 E CA -0.619 55.682 56.400 -0.166 0.000 0.764 125 E CB 2.904 32.533 29.700 -0.119 0.000 1.252 125 E HN 0.270 nan 8.360 nan 0.000 0.446 126 I N 2.805 123.277 120.570 -0.164 0.000 2.354 126 I HA 0.363 4.533 4.170 0.001 0.000 0.286 126 I C -0.673 175.374 176.117 -0.117 0.000 1.007 126 I CA -0.527 60.678 61.300 -0.159 0.000 1.167 126 I CB 0.689 38.606 38.000 -0.138 0.000 1.320 126 I HN 0.300 nan 8.210 nan 0.000 0.458 127 I N 5.597 126.093 120.570 -0.124 0.000 2.359 127 I HA 0.215 4.386 4.170 0.001 0.000 0.294 127 I C 0.172 176.246 176.117 -0.073 0.000 0.987 127 I CA -0.893 60.350 61.300 -0.094 0.000 1.225 127 I CB 1.155 39.092 38.000 -0.104 0.000 1.366 127 I HN 0.435 nan 8.210 nan 0.000 0.466 128 Q N 3.894 123.666 119.800 -0.047 0.000 2.300 128 Q HA 0.102 4.443 4.340 0.001 0.000 0.280 128 Q C -0.055 175.937 176.000 -0.014 0.000 1.033 128 Q CA 0.261 56.047 55.803 -0.028 0.000 0.903 128 Q CB 1.205 29.932 28.738 -0.019 0.000 1.195 128 Q HN 0.689 nan 8.270 nan 0.000 0.386 129 S N 1.310 117.009 115.700 -0.002 0.000 2.651 129 S HA 0.209 4.680 4.470 0.001 0.000 0.291 129 S C 0.175 174.792 174.600 0.028 0.000 1.141 129 S CA -0.690 57.526 58.200 0.027 0.000 1.027 129 S CB 0.841 64.068 63.200 0.045 0.000 1.043 129 S HN 0.392 nan 8.310 nan 0.000 0.530 130 D N 1.450 121.873 120.400 0.039 0.000 2.323 130 D HA 0.103 4.743 4.640 0.001 0.000 0.209 130 D C 0.249 176.564 176.300 0.025 0.000 0.973 130 D CA 0.670 54.686 54.000 0.027 0.000 0.874 130 D CB 0.098 40.914 40.800 0.026 0.000 0.930 130 D HN 0.415 nan 8.370 nan 0.000 0.521 131 R N 1.273 121.794 120.500 0.036 0.000 2.254 131 R HA 0.330 4.671 4.340 0.001 0.000 0.318 131 R C -2.430 173.885 176.300 0.025 0.000 1.031 131 R CA -1.685 54.434 56.100 0.031 0.000 0.905 131 R CB 0.659 30.985 30.300 0.043 0.000 1.050 131 R HN -0.101 nan 8.270 nan 0.000 0.456 132 P HA -0.046 nan 4.420 nan 0.000 0.262 132 P C 0.645 177.954 177.300 0.016 0.000 1.182 132 P CA 0.864 63.972 63.100 0.014 0.000 0.761 132 P CB 0.622 32.328 31.700 0.010 0.000 0.795 133 G N 1.627 110.435 108.800 0.013 0.000 2.168 133 G HA2 -0.295 3.665 3.960 0.001 0.000 0.263 133 G HA3 -0.295 3.665 3.960 0.001 0.000 0.263 133 G C 0.140 175.053 174.900 0.021 0.000 0.977 133 G CA 0.174 45.282 45.100 0.014 0.000 0.659 133 G HN 0.649 nan 8.290 nan 0.000 0.533 134 E N 0.345 120.561 120.200 0.027 0.000 2.191 134 E HA 0.465 4.815 4.350 0.001 0.000 0.278 134 E C -0.551 176.062 176.600 0.023 0.000 0.972 134 E CA -0.929 55.495 56.400 0.040 0.000 0.804 134 E CB 0.456 30.198 29.700 0.070 0.000 1.110 134 E HN 0.171 nan 8.360 nan 0.000 0.394 135 N N 4.413 123.123 118.700 0.016 0.000 2.392 135 N HA 0.331 5.072 4.740 0.001 0.000 0.283 135 N C -0.843 174.630 175.510 -0.061 0.000 1.003 135 N CA -0.374 52.664 53.050 -0.021 0.000 0.892 135 N CB 1.371 39.845 38.487 -0.021 0.000 1.193 135 N HN 0.479 nan 8.380 nan 0.000 0.487 136 I N 3.616 124.112 120.570 -0.123 0.000 2.307 136 I HA 0.256 4.427 4.170 0.001 0.000 0.287 136 I C -0.179 175.794 176.117 -0.240 0.000 1.054 136 I CA -0.417 60.727 61.300 -0.261 0.000 1.218 136 I CB 0.633 38.444 38.000 -0.314 0.000 1.398 136 I HN 0.203 nan 8.210 nan 0.000 0.475 137 L N 7.358 128.448 121.223 -0.223 0.000 2.265 137 L HA 0.470 4.810 4.340 0.001 0.000 0.289 137 L C -0.352 176.354 176.870 -0.274 0.000 1.033 137 L CA -0.442 54.226 54.840 -0.286 0.000 0.814 137 L CB 1.522 43.423 42.059 -0.263 0.000 1.203 137 L HN 0.528 nan 8.230 nan 0.000 0.423 138 L N 4.382 125.410 121.223 -0.325 0.000 2.272 138 L HA 0.492 4.833 4.340 0.001 0.000 0.284 138 L C -0.876 175.867 176.870 -0.212 0.000 1.045 138 L CA -0.239 54.491 54.840 -0.183 0.000 0.842 138 L CB 0.248 42.221 42.059 -0.143 0.000 1.224 138 L HN 0.306 nan 8.230 nan 0.000 0.430 139 F N 3.654 123.577 119.950 -0.045 0.000 2.379 139 F HA 0.438 4.966 4.527 0.001 0.000 0.332 139 F C 0.446 176.243 175.800 -0.006 0.000 1.096 139 F CA -0.625 57.362 58.000 -0.022 0.000 1.105 139 F CB 0.825 39.818 39.000 -0.011 0.000 1.189 139 F HN 0.227 nan 8.300 nan 0.000 0.515 140 K N 3.829 124.365 120.400 0.227 0.000 2.281 140 K HA 0.377 4.698 4.320 0.001 0.000 0.272 140 K C -0.253 176.467 176.600 0.200 0.000 1.048 140 K CA -0.498 55.891 56.287 0.169 0.000 0.898 140 K CB 1.015 33.637 32.500 0.202 0.000 1.128 140 K HN 0.494 nan 8.250 nan 0.000 0.460 141 R N 0.622 121.195 120.500 0.121 0.000 2.828 141 R HA 0.544 4.884 4.340 0.001 0.000 0.264 141 R C -0.016 176.325 176.300 0.069 0.000 1.022 141 R CA -0.994 55.164 56.100 0.097 0.000 1.021 141 R CB 1.065 31.400 30.300 0.059 0.000 1.163 141 R HN 0.610 nan 8.270 nan 0.000 0.494 142 A N 1.371 124.236 122.820 0.075 0.000 2.366 142 A HA 0.243 4.563 4.320 0.001 0.000 0.249 142 A C 1.469 179.094 177.584 0.068 0.000 1.084 142 A CA -0.271 51.813 52.037 0.079 0.000 0.794 142 A CB 0.174 19.240 19.000 0.110 0.000 1.034 142 A HN 0.724 nan 8.150 nan 0.000 0.491 143 L N 0.837 122.106 121.223 0.076 0.000 2.131 143 L HA 0.231 4.572 4.340 0.001 0.000 0.206 143 L C 1.721 178.623 176.870 0.054 0.000 1.087 143 L CA 1.156 56.026 54.840 0.050 0.000 0.767 143 L CB -0.832 41.249 42.059 0.037 0.000 0.917 143 L HN 1.122 nan 8.230 nan 0.000 0.441 144 G N -0.655 108.192 108.800 0.079 0.000 2.214 144 G HA2 -0.182 3.778 3.960 0.001 0.000 0.200 144 G HA3 -0.182 3.778 3.960 0.001 0.000 0.200 144 G C -0.670 174.273 174.900 0.072 0.000 1.126 144 G CA -0.329 44.813 45.100 0.070 0.000 1.284 144 G HN -0.149 nan 8.290 nan 0.000 0.493 145 V N 2.671 122.610 119.914 0.042 0.000 2.432 145 V HA 0.626 4.747 4.120 0.001 0.000 0.275 145 V C 0.862 176.975 176.094 0.032 0.000 1.043 145 V CA 0.615 62.930 62.300 0.025 0.000 0.925 145 V CB 0.680 32.502 31.823 -0.001 0.000 0.985 145 V HN 1.332 nan 8.190 nan 0.000 0.466 146 T N 1.188 115.770 114.554 0.047 0.000 2.924 146 T HA 0.822 5.172 4.350 0.001 0.000 0.291 146 T C -0.301 174.415 174.700 0.027 0.000 1.045 146 T CA -0.501 61.640 62.100 0.067 0.000 1.015 146 T CB 2.117 71.105 68.868 0.200 0.000 1.103 146 T HN 0.755 nan 8.240 nan 0.000 0.496 147 T N -1.665 112.902 114.554 0.022 0.000 2.907 147 T HA 0.798 5.149 4.350 0.001 0.000 0.292 147 T C -0.089 174.612 174.700 0.001 0.000 1.043 147 T CA -0.873 61.218 62.100 -0.016 0.000 1.003 147 T CB 1.607 70.454 68.868 -0.035 0.000 1.084 147 T HN 1.193 nan 8.240 nan 0.000 0.483 148 G N 1.370 110.150 108.800 -0.034 0.000 2.666 148 G HA2 0.646 4.606 3.960 0.001 0.000 0.303 148 G HA3 0.646 4.606 3.960 0.001 0.000 0.303 148 G C -1.009 173.865 174.900 -0.044 0.000 1.412 148 G CA -0.903 44.182 45.100 -0.025 0.000 0.979 148 G HN 0.898 nan 8.290 nan 0.000 0.507 149 I N 3.057 123.612 120.570 -0.025 0.000 2.355 149 I HA 0.334 4.505 4.170 0.001 0.000 0.288 149 I C -0.219 175.892 176.117 -0.010 0.000 0.999 149 I CA -0.536 60.751 61.300 -0.021 0.000 1.163 149 I CB 1.546 39.539 38.000 -0.010 0.000 1.316 149 I HN 0.130 nan 8.210 nan 0.000 0.454 150 L N 7.898 129.115 121.223 -0.009 0.000 2.344 150 L HA 0.662 5.003 4.340 0.001 0.000 0.272 150 L C -2.285 174.610 176.870 0.042 0.000 1.035 150 L CA -1.783 53.059 54.840 0.004 0.000 0.807 150 L CB 1.203 43.258 42.059 -0.006 0.000 1.237 150 L HN 0.323 nan 8.230 nan 0.000 0.442 151 P HA 0.102 nan 4.420 nan 0.000 0.287 151 P C -0.079 177.266 177.300 0.074 0.000 1.296 151 P CA -0.574 62.542 63.100 0.026 0.000 0.811 151 P CB 0.932 32.568 31.700 -0.108 0.000 1.211 152 W N -0.582 120.814 121.300 0.160 0.000 2.658 152 W HA 0.117 4.778 4.660 0.001 0.000 0.263 152 W C -0.075 176.515 176.519 0.120 0.000 1.274 152 W CA 0.018 57.454 57.345 0.151 0.000 1.343 152 W CB -1.552 27.996 29.460 0.147 0.000 1.106 152 W HN 0.195 nan 8.180 nan 0.000 0.615 153 N N 0.948 119.240 118.700 -0.680 0.000 2.472 153 N HA 0.117 4.858 4.740 0.001 0.000 0.277 153 N C -0.446 175.091 175.510 0.046 0.000 1.081 153 N CA -0.263 52.495 53.050 -0.487 0.000 0.973 153 N CB -0.132 37.836 38.487 -0.865 0.000 1.105 153 N HN 0.056 nan 8.380 nan 0.000 0.470 154 F N 1.635 121.587 119.950 0.003 0.000 3.048 154 F HA -0.220 4.308 4.527 0.001 0.000 0.269 154 F C -1.113 174.783 175.800 0.160 0.000 0.960 154 F CA 0.225 58.302 58.000 0.128 0.000 0.909 154 F CB -1.152 37.946 39.000 0.164 0.000 0.837 154 F HN 0.607 nan 8.300 nan 0.000 0.768 155 P HA -0.266 nan 4.420 nan 0.000 0.215 155 P C 1.781 179.227 177.300 0.244 0.000 1.153 155 P CA 1.714 64.941 63.100 0.211 0.000 0.853 155 P CB -0.062 31.769 31.700 0.219 0.000 0.788 156 F N 0.223 120.271 119.950 0.164 0.000 2.084 156 F HA -0.123 4.405 4.527 0.001 0.000 0.296 156 F C 2.382 178.301 175.800 0.198 0.000 1.111 156 F CA 1.049 59.155 58.000 0.176 0.000 1.224 156 F CB -1.291 37.837 39.000 0.214 0.000 0.991 156 F HN -0.239 nan 8.300 nan 0.000 0.471 157 F N 0.949 121.028 119.950 0.215 0.000 2.091 157 F HA -0.236 4.291 4.527 0.001 0.000 0.299 157 F C 1.943 177.694 175.800 -0.082 0.000 1.103 157 F CA 1.746 59.798 58.000 0.087 0.000 1.228 157 F CB -0.974 38.204 39.000 0.297 0.000 0.984 157 F HN -0.016 nan 8.300 nan 0.000 0.477 158 L N -0.100 120.941 121.223 -0.303 0.000 2.261 158 L HA -0.240 4.101 4.340 0.001 0.000 0.216 158 L C 2.460 179.097 176.870 -0.389 0.000 1.114 158 L CA 1.023 55.598 54.840 -0.443 0.000 0.777 158 L CB -0.668 41.300 42.059 -0.153 0.000 0.910 158 L HN 0.255 nan 8.230 nan 0.000 0.440 159 I N -0.158 120.192 120.570 -0.366 0.000 2.142 159 I HA -0.294 3.877 4.170 0.001 0.000 0.240 159 I C 2.795 178.638 176.117 -0.457 0.000 1.078 159 I CA 1.353 62.385 61.300 -0.447 0.000 1.343 159 I CB -0.458 37.094 38.000 -0.747 0.000 1.046 159 I HN 0.205 nan 8.210 nan 0.000 0.405 160 A N 0.519 123.057 122.820 -0.469 0.000 1.898 160 A HA -0.219 4.102 4.320 0.001 0.000 0.216 160 A C 2.417 179.847 177.584 -0.256 0.000 1.181 160 A CA 1.450 53.334 52.037 -0.256 0.000 0.620 160 A CB -0.649 18.285 19.000 -0.110 0.000 0.819 160 A HN 0.324 nan 8.150 nan 0.000 0.442 161 R N -0.231 119.882 120.500 -0.646 0.000 2.170 161 R HA -0.172 4.169 4.340 0.001 0.000 0.242 161 R C 1.742 177.971 176.300 -0.119 0.000 1.145 161 R CA 1.938 57.696 56.100 -0.570 0.000 0.984 161 R CB -0.102 29.636 30.300 -0.937 0.000 0.869 161 R HN 0.586 nan 8.270 nan 0.000 0.455 162 K N -0.713 119.599 120.400 -0.146 0.000 2.240 162 K HA -0.001 4.320 4.320 0.001 0.000 0.202 162 K C 1.991 178.493 176.600 -0.163 0.000 1.053 162 K CA 0.867 57.125 56.287 -0.049 0.000 0.973 162 K CB -0.057 32.445 32.500 0.002 0.000 0.924 162 K HN 0.107 nan 8.250 nan 0.000 0.477 163 M N 0.880 120.416 119.600 -0.107 0.000 2.229 163 M HA 0.120 4.601 4.480 0.001 0.000 0.264 163 M C 2.102 178.384 176.300 -0.029 0.000 1.063 163 M CA 1.738 57.012 55.300 -0.043 0.000 1.114 163 M CB -0.541 32.116 32.600 0.096 0.000 1.387 163 M HN 0.010 nan 8.290 nan 0.000 0.420 164 A N 1.128 123.959 122.820 0.018 0.000 1.858 164 A HA -0.005 4.315 4.320 0.001 0.000 0.216 164 A C 0.154 177.744 177.584 0.010 0.000 1.190 164 A CA 1.667 53.758 52.037 0.089 0.000 0.617 164 A CB -2.128 16.998 19.000 0.209 0.000 0.827 164 A HN 0.522 nan 8.150 nan 0.000 0.443 165 P HA -0.052 nan 4.420 nan 0.000 0.216 165 P C 1.741 178.806 177.300 -0.392 0.000 1.153 165 P CA 1.814 64.802 63.100 -0.187 0.000 0.848 165 P CB -0.146 31.453 31.700 -0.168 0.000 0.787 166 A N -0.487 121.868 122.820 -0.775 0.000 1.851 166 A HA -0.203 4.118 4.320 0.001 0.000 0.216 166 A C 2.106 179.670 177.584 -0.033 0.000 1.195 166 A CA 1.770 53.461 52.037 -0.577 0.000 0.622 166 A CB -1.729 16.983 19.000 -0.480 0.000 0.831 166 A HN 0.073 nan 8.150 nan 0.000 0.444 167 L N -0.543 120.725 121.223 0.076 0.000 2.046 167 L HA -0.125 4.215 4.340 0.001 0.000 0.208 167 L C 2.433 179.564 176.870 0.434 0.000 1.077 167 L CA 1.256 56.329 54.840 0.388 0.000 0.747 167 L CB -0.748 41.531 42.059 0.367 0.000 0.896 167 L HN 0.440 nan 8.230 nan 0.000 0.432 168 L N -0.079 121.275 121.223 0.219 0.000 2.043 168 L HA -0.235 4.106 4.340 0.001 0.000 0.212 168 L C 2.211 179.138 176.870 0.095 0.000 1.075 168 L CA 2.644 57.578 54.840 0.156 0.000 0.752 168 L CB -1.170 40.959 42.059 0.117 0.000 0.891 168 L HN 0.583 nan 8.230 nan 0.000 0.432 169 T N -3.393 111.168 114.554 0.012 0.000 3.194 169 T HA 0.262 4.612 4.350 0.001 0.000 0.251 169 T C 1.307 176.042 174.700 0.058 0.000 1.132 169 T CA 0.526 62.571 62.100 -0.092 0.000 1.028 169 T CB -0.161 68.591 68.868 -0.195 0.000 0.976 169 T HN 0.637 nan 8.240 nan 0.000 0.535 170 G N 1.242 110.126 108.800 0.140 0.000 2.157 170 G HA2 -0.216 3.745 3.960 0.001 0.000 0.239 170 G HA3 -0.216 3.745 3.960 0.001 0.000 0.239 170 G C -0.108 175.018 174.900 0.376 0.000 0.982 170 G CA -0.352 44.850 45.100 0.171 0.000 0.650 170 G HN 0.595 nan 8.290 nan 0.000 0.527 171 N N 0.849 119.755 118.700 0.343 0.000 2.495 171 N HA 0.560 5.300 4.740 0.001 0.000 0.280 171 N C 0.485 176.113 175.510 0.197 0.000 1.168 171 N CA 0.649 53.854 53.050 0.258 0.000 0.978 171 N CB 1.244 39.862 38.487 0.218 0.000 1.191 171 N HN 0.487 nan 8.380 nan 0.000 0.497 172 T N -1.934 112.660 114.554 0.066 0.000 2.952 172 T HA 0.743 5.094 4.350 0.001 0.000 0.286 172 T C 0.089 174.754 174.700 -0.059 0.000 1.024 172 T CA -0.751 61.292 62.100 -0.094 0.000 1.029 172 T CB 1.553 70.345 68.868 -0.126 0.000 1.094 172 T HN 0.456 nan 8.240 nan 0.000 0.515 173 I N 0.438 120.939 120.570 -0.116 0.000 2.894 173 I HA 0.610 4.781 4.170 0.001 0.000 0.302 173 I C -1.765 174.214 176.117 -0.231 0.000 1.188 173 I CA -1.337 59.894 61.300 -0.115 0.000 1.014 173 I CB 2.288 40.246 38.000 -0.070 0.000 1.242 173 I HN 0.549 nan 8.210 nan 0.000 0.430 174 V N 7.264 127.055 119.914 -0.206 0.000 2.407 174 V HA 0.487 4.607 4.120 0.001 0.000 0.291 174 V C -0.190 175.757 176.094 -0.244 0.000 1.018 174 V CA -0.386 61.761 62.300 -0.255 0.000 0.842 174 V CB 1.486 33.211 31.823 -0.164 0.000 0.996 174 V HN 0.423 nan 8.190 nan 0.000 0.426 175 I N 4.463 124.823 120.570 -0.350 0.000 2.460 175 I HA 0.521 4.691 4.170 0.001 0.000 0.298 175 I C -0.063 175.952 176.117 -0.170 0.000 0.989 175 I CA -0.626 60.525 61.300 -0.249 0.000 1.173 175 I CB 1.925 39.750 38.000 -0.291 0.000 1.338 175 I HN 0.474 nan 8.210 nan 0.000 0.456 176 K N 8.227 128.562 120.400 -0.108 0.000 2.483 176 K HA 0.478 4.799 4.320 0.001 0.000 0.256 176 K C -2.653 173.919 176.600 -0.046 0.000 0.961 176 K CA -1.685 54.556 56.287 -0.076 0.000 0.873 176 K CB 1.843 34.301 32.500 -0.070 0.000 1.107 176 K HN 0.211 nan 8.250 nan 0.000 0.432 177 P HA 0.008 nan 4.420 nan 0.000 0.276 177 P C -0.379 176.930 177.300 0.015 0.000 1.261 177 P CA -0.425 62.680 63.100 0.009 0.000 0.800 177 P CB 1.056 32.778 31.700 0.036 0.000 1.066 178 S N 0.114 115.853 115.700 0.064 0.000 2.568 178 S HA -0.014 4.456 4.470 0.001 0.000 0.282 178 S C 1.545 176.137 174.600 -0.013 0.000 1.338 178 S CA -0.348 57.896 58.200 0.074 0.000 1.045 178 S CB -0.130 63.216 63.200 0.243 0.000 0.873 178 S HN 0.498 nan 8.310 nan 0.000 0.516 179 E N 3.504 123.587 120.200 -0.195 0.000 2.333 179 E HA -0.157 4.194 4.350 0.001 0.000 0.198 179 E C 0.886 177.314 176.600 -0.287 0.000 1.007 179 E CA 1.221 57.443 56.400 -0.298 0.000 0.845 179 E CB -0.414 29.014 29.700 -0.453 0.000 0.766 179 E HN 0.790 nan 8.360 nan 0.000 0.507 180 F N 2.111 122.104 119.950 0.072 0.000 2.569 180 F HA 0.073 4.600 4.527 0.001 0.000 0.295 180 F C 1.469 177.323 175.800 0.089 0.000 1.115 180 F CA 1.167 59.202 58.000 0.058 0.000 1.450 180 F CB 0.147 39.162 39.000 0.026 0.000 1.107 180 F HN -0.006 nan 8.300 nan 0.000 0.563 181 T N -2.669 112.046 114.554 0.270 0.000 3.732 181 T HA 0.275 4.625 4.350 0.001 0.000 0.234 181 T C -2.111 172.682 174.700 0.154 0.000 1.146 181 T CA -1.275 60.956 62.100 0.219 0.000 1.454 181 T CB 0.913 69.945 68.868 0.273 0.000 0.910 181 T HN -0.081 nan 8.240 nan 0.000 0.640 182 P HA 0.099 nan 4.420 nan 0.000 0.234 182 P C 1.003 178.320 177.300 0.028 0.000 1.175 182 P CA 0.269 63.409 63.100 0.065 0.000 0.801 182 P CB 0.345 32.070 31.700 0.042 0.000 0.891 183 N N 2.051 120.776 118.700 0.040 0.000 2.061 183 N HA -0.188 4.552 4.740 0.001 0.000 0.193 183 N C 1.555 177.086 175.510 0.034 0.000 1.030 183 N CA 2.007 55.053 53.050 -0.007 0.000 0.856 183 N CB -1.380 37.162 38.487 0.091 0.000 1.023 183 N HN 0.409 nan 8.380 nan 0.000 0.424 184 N N 0.642 119.405 118.700 0.105 0.000 2.223 184 N HA -0.074 4.666 4.740 0.001 0.000 0.185 184 N C 1.511 177.223 175.510 0.337 0.000 1.016 184 N CA 1.511 54.663 53.050 0.170 0.000 0.863 184 N CB -0.376 38.236 38.487 0.209 0.000 0.983 184 N HN 0.207 nan 8.380 nan 0.000 0.429 185 A N 0.693 123.666 122.820 0.254 0.000 1.929 185 A HA 0.052 4.373 4.320 0.001 0.000 0.216 185 A C 2.171 179.910 177.584 0.258 0.000 1.176 185 A CA 0.769 52.960 52.037 0.256 0.000 0.628 185 A CB -0.442 18.643 19.000 0.143 0.000 0.816 185 A HN 0.287 nan 8.150 nan 0.000 0.444 186 I N 0.059 120.699 120.570 0.117 0.000 2.252 186 I HA -0.224 3.946 4.170 0.001 0.000 0.245 186 I C 2.903 179.121 176.117 0.169 0.000 1.102 186 I CA 1.438 62.791 61.300 0.087 0.000 1.385 186 I CB -1.431 36.408 38.000 -0.269 0.000 1.064 186 I HN 0.369 nan 8.210 nan 0.000 0.414 187 A N 0.266 123.177 122.820 0.151 0.000 1.933 187 A HA -0.260 4.061 4.320 0.001 0.000 0.218 187 A C 2.269 179.988 177.584 0.224 0.000 1.175 187 A CA 1.265 53.394 52.037 0.153 0.000 0.628 187 A CB -0.994 18.068 19.000 0.103 0.000 0.814 187 A HN 0.370 nan 8.150 nan 0.000 0.444 188 F N 0.930 121.005 119.950 0.208 0.000 2.134 188 F HA -0.056 4.471 4.527 0.001 0.000 0.299 188 F C 2.516 178.279 175.800 -0.063 0.000 1.097 188 F CA 1.083 59.160 58.000 0.130 0.000 1.264 188 F CB -0.406 38.656 39.000 0.104 0.000 1.001 188 F HN 0.246 nan 8.300 nan 0.000 0.479 189 A N 0.166 123.171 122.820 0.308 0.000 1.933 189 A HA -0.203 4.118 4.320 0.001 0.000 0.218 189 A C 2.240 179.754 177.584 -0.117 0.000 1.175 189 A CA 1.780 53.844 52.037 0.046 0.000 0.628 189 A CB -0.658 18.432 19.000 0.150 0.000 0.814 189 A HN 0.447 nan 8.150 nan 0.000 0.444 190 K N -0.459 120.062 120.400 0.201 0.000 2.097 190 K HA -0.071 4.250 4.320 0.001 0.000 0.206 190 K C 1.753 178.369 176.600 0.027 0.000 1.049 190 K CA 1.517 57.944 56.287 0.234 0.000 0.933 190 K CB -0.364 32.230 32.500 0.158 0.000 0.717 190 K HN 0.544 nan 8.250 nan 0.000 0.442 191 I N 0.536 121.057 120.570 -0.082 0.000 2.226 191 I HA -0.266 3.905 4.170 0.001 0.000 0.245 191 I C 2.193 178.192 176.117 -0.197 0.000 1.100 191 I CA 0.966 62.175 61.300 -0.152 0.000 1.374 191 I CB -0.231 37.612 38.000 -0.261 0.000 1.057 191 I HN -0.068 nan 8.210 nan 0.000 0.413 192 V N 0.824 120.540 119.914 -0.330 0.000 2.332 192 V HA -0.340 3.780 4.120 0.001 0.000 0.248 192 V C 2.187 178.179 176.094 -0.169 0.000 1.055 192 V CA 2.386 64.502 62.300 -0.306 0.000 1.038 192 V CB -0.627 30.935 31.823 -0.434 0.000 0.651 192 V HN 0.469 nan 8.190 nan 0.000 0.450 193 D N -0.191 120.080 120.400 -0.215 0.000 2.117 193 D HA -0.171 4.470 4.640 0.001 0.000 0.198 193 D C 2.197 178.539 176.300 0.071 0.000 0.982 193 D CA 1.428 55.415 54.000 -0.021 0.000 0.828 193 D CB -0.062 40.748 40.800 0.018 0.000 0.967 193 D HN 0.517 nan 8.370 nan 0.000 0.464 194 E N -0.353 119.882 120.200 0.059 0.000 2.110 194 E HA -0.131 4.219 4.350 0.001 0.000 0.193 194 E C 2.202 178.854 176.600 0.087 0.000 0.988 194 E CA 1.182 57.628 56.400 0.077 0.000 0.804 194 E CB -0.225 29.510 29.700 0.058 0.000 0.745 194 E HN 0.604 nan 8.360 nan 0.000 0.458 195 I N -3.370 117.250 120.570 0.084 0.000 3.428 195 I HA 0.233 4.404 4.170 0.001 0.000 0.286 195 I C 1.264 177.552 176.117 0.285 0.000 1.287 195 I CA 0.676 62.076 61.300 0.165 0.000 1.396 195 I CB 0.043 38.149 38.000 0.177 0.000 1.062 195 I HN 0.102 nan 8.210 nan 0.000 0.471 196 G N 1.961 110.861 108.800 0.168 0.000 2.137 196 G HA2 -0.283 3.678 3.960 0.001 0.000 0.237 196 G HA3 -0.283 3.678 3.960 0.001 0.000 0.237 196 G C -0.028 174.792 174.900 -0.134 0.000 1.002 196 G CA 0.160 45.337 45.100 0.128 0.000 0.702 196 G HN 0.447 nan 8.290 nan 0.000 0.515 197 L N 1.267 122.316 121.223 -0.289 0.000 2.615 197 L HA 0.378 4.719 4.340 0.001 0.000 0.284 197 L C -1.260 175.264 176.870 -0.577 0.000 1.237 197 L CA -0.614 53.774 54.840 -0.753 0.000 0.905 197 L CB -0.028 41.780 42.059 -0.419 0.000 1.149 197 L HN 0.067 nan 8.230 nan 0.000 0.499 198 P HA -0.048 nan 4.420 nan 0.000 0.261 198 P C -1.111 176.034 177.300 -0.258 0.000 1.165 198 P CA 0.127 63.029 63.100 -0.331 0.000 0.759 198 P CB 0.137 31.716 31.700 -0.200 0.000 0.772 199 R N 2.958 123.366 120.500 -0.154 0.000 2.583 199 R HA 0.217 4.558 4.340 0.001 0.000 0.274 199 R C 1.087 177.292 176.300 -0.159 0.000 0.998 199 R CA 0.328 56.342 56.100 -0.142 0.000 1.081 199 R CB -0.875 29.358 30.300 -0.112 0.000 0.940 199 R HN 0.748 nan 8.270 nan 0.000 0.413 200 G N 1.225 109.921 108.800 -0.173 0.000 2.284 200 G HA2 -0.345 3.616 3.960 0.001 0.000 0.247 200 G HA3 -0.345 3.616 3.960 0.001 0.000 0.247 200 G C 0.719 175.495 174.900 -0.207 0.000 1.012 200 G CA 0.208 45.206 45.100 -0.170 0.000 0.618 200 G HN 0.452 nan 8.290 nan 0.000 0.521 201 V N -0.356 119.377 119.914 -0.302 0.000 2.358 201 V HA 0.238 4.359 4.120 0.001 0.000 0.246 201 V C 1.171 177.108 176.094 -0.262 0.000 1.047 201 V CA 2.120 64.128 62.300 -0.487 0.000 1.035 201 V CB -0.264 30.942 31.823 -1.027 0.000 0.658 201 V HN 0.512 nan 8.190 nan 0.000 0.452 202 F N 1.529 121.326 119.950 -0.254 0.000 2.460 202 F HA 0.522 5.049 4.527 0.001 0.000 0.341 202 F C -0.292 175.520 175.800 0.020 0.000 1.130 202 F CA -0.875 57.061 58.000 -0.107 0.000 0.962 202 F CB 0.879 39.849 39.000 -0.050 0.000 1.171 202 F HN 0.019 nan 8.300 nan 0.000 0.436 203 N N 6.337 124.675 118.700 -0.603 0.000 2.238 203 N HA 0.478 5.218 4.740 0.001 0.000 0.302 203 N C -1.999 173.188 175.510 -0.539 0.000 1.072 203 N CA -0.675 52.149 53.050 -0.377 0.000 0.792 203 N CB 2.970 41.301 38.487 -0.261 0.000 1.425 203 N HN 0.576 nan 8.380 nan 0.000 0.478 204 L N 2.330 123.438 121.223 -0.191 0.000 2.343 204 L HA 0.443 4.783 4.340 0.001 0.000 0.278 204 L C -0.746 176.099 176.870 -0.041 0.000 0.996 204 L CA -0.763 54.002 54.840 -0.124 0.000 0.831 204 L CB 1.280 43.391 42.059 0.086 0.000 1.232 204 L HN 0.367 nan 8.230 nan 0.000 0.413 205 V N 3.128 122.991 119.914 -0.086 0.000 2.667 205 V HA 0.685 4.805 4.120 0.001 0.000 0.308 205 V C -0.474 175.572 176.094 -0.080 0.000 1.048 205 V CA -0.794 61.462 62.300 -0.072 0.000 0.928 205 V CB 1.699 33.469 31.823 -0.087 0.000 1.004 205 V HN 0.631 nan 8.190 nan 0.000 0.444 206 L N 4.145 125.299 121.223 -0.115 0.000 2.346 206 L HA 1.027 5.367 4.340 0.001 0.000 0.276 206 L C 0.562 177.302 176.870 -0.217 0.000 1.006 206 L CA 0.124 54.879 54.840 -0.141 0.000 0.817 206 L CB 1.639 43.624 42.059 -0.122 0.000 1.272 206 L HN 1.223 nan 8.230 nan 0.000 0.421 207 G N 1.867 110.561 108.800 -0.176 0.000 2.345 207 G HA2 0.181 4.142 3.960 0.001 0.000 0.285 207 G HA3 0.181 4.142 3.960 0.001 0.000 0.285 207 G C -1.579 173.232 174.900 -0.148 0.000 1.297 207 G CA -1.014 43.973 45.100 -0.190 0.000 0.875 207 G HN 0.423 nan 8.290 nan 0.000 0.506 208 R N -0.620 119.801 120.500 -0.131 0.000 2.583 208 R HA 0.508 4.848 4.340 0.001 0.000 0.268 208 R C 1.757 178.013 176.300 -0.074 0.000 1.101 208 R CA 0.121 56.155 56.100 -0.111 0.000 1.180 208 R CB 0.801 31.047 30.300 -0.091 0.000 1.128 208 R HN 0.681 nan 8.270 nan 0.000 0.568 209 G N 0.661 109.430 108.800 -0.052 0.000 2.404 209 G HA2 -0.239 3.721 3.960 0.001 0.000 0.215 209 G HA3 -0.239 3.721 3.960 0.001 0.000 0.215 209 G C 0.825 175.714 174.900 -0.019 0.000 1.174 209 G CA 0.468 45.553 45.100 -0.025 0.000 0.780 209 G HN 0.530 nan 8.290 nan 0.000 0.537 210 E N 0.362 120.552 120.200 -0.016 0.000 2.171 210 E HA -0.081 4.270 4.350 0.001 0.000 0.197 210 E C 2.692 179.282 176.600 -0.016 0.000 0.997 210 E CA 1.695 58.089 56.400 -0.010 0.000 0.810 210 E CB -0.343 29.354 29.700 -0.006 0.000 0.738 210 E HN 0.642 nan 8.360 nan 0.000 0.467 211 T N -2.599 111.939 114.554 -0.026 0.000 3.401 211 T HA 0.048 4.398 4.350 0.001 0.000 0.225 211 T C 2.008 176.688 174.700 -0.033 0.000 0.961 211 T CA 0.530 62.614 62.100 -0.027 0.000 1.429 211 T CB -0.849 67.999 68.868 -0.034 0.000 1.213 211 T HN -0.058 nan 8.240 nan 0.000 0.440 212 V N 2.364 122.248 119.914 -0.051 0.000 2.287 212 V HA -0.012 4.109 4.120 0.001 0.000 0.248 212 V C 3.125 179.191 176.094 -0.046 0.000 1.053 212 V CA 2.139 64.406 62.300 -0.056 0.000 1.027 212 V CB -1.716 30.058 31.823 -0.082 0.000 0.646 212 V HN 0.786 nan 8.190 nan 0.000 0.447 213 G N -1.030 107.744 108.800 -0.043 0.000 2.446 213 G HA2 -0.277 3.683 3.960 0.001 0.000 0.217 213 G HA3 -0.277 3.683 3.960 0.001 0.000 0.217 213 G C 1.512 176.398 174.900 -0.024 0.000 1.168 213 G CA 0.689 45.770 45.100 -0.031 0.000 0.771 213 G HN 0.448 nan 8.290 nan 0.000 0.551 214 Q N -0.033 119.755 119.800 -0.020 0.000 2.124 214 Q HA -0.105 4.236 4.340 0.001 0.000 0.202 214 Q C 2.439 178.429 176.000 -0.018 0.000 0.977 214 Q CA 1.525 57.319 55.803 -0.015 0.000 0.850 214 Q CB -0.232 28.499 28.738 -0.011 0.000 0.901 214 Q HN 0.576 nan 8.270 nan 0.000 0.429 215 E N 0.699 120.886 120.200 -0.022 0.000 2.150 215 E HA -0.078 4.273 4.350 0.001 0.000 0.193 215 E C 1.898 178.482 176.600 -0.026 0.000 0.985 215 E CA 0.669 57.056 56.400 -0.022 0.000 0.814 215 E CB -0.224 29.462 29.700 -0.024 0.000 0.752 215 E HN 0.304 nan 8.360 nan 0.000 0.466 216 L N -0.551 120.654 121.223 -0.031 0.000 2.291 216 L HA 0.001 4.341 4.340 0.001 0.000 0.214 216 L C 2.185 179.039 176.870 -0.026 0.000 1.120 216 L CA 0.901 55.720 54.840 -0.034 0.000 0.799 216 L CB -0.310 41.724 42.059 -0.042 0.000 0.925 216 L HN 0.188 nan 8.230 nan 0.000 0.446 217 A N -0.419 122.388 122.820 -0.021 0.000 1.997 217 A HA 0.171 4.492 4.320 0.001 0.000 0.212 217 A C 2.194 179.768 177.584 -0.016 0.000 1.178 217 A CA 0.928 52.955 52.037 -0.017 0.000 0.698 217 A CB -0.401 18.591 19.000 -0.013 0.000 0.842 217 A HN 0.348 nan 8.150 nan 0.000 0.458 218 G N -0.629 108.162 108.800 -0.016 0.000 2.986 218 G HA2 0.019 3.980 3.960 0.001 0.000 0.213 218 G HA3 0.019 3.980 3.960 0.001 0.000 0.213 218 G C 0.522 175.413 174.900 -0.015 0.000 1.156 218 G CA -0.163 44.929 45.100 -0.014 0.000 0.763 218 G HN 0.382 nan 8.290 nan 0.000 0.547 219 N N 1.637 120.327 118.700 -0.017 0.000 2.468 219 N HA 0.072 4.812 4.740 0.001 0.000 0.265 219 N C -1.051 174.449 175.510 -0.015 0.000 1.199 219 N CA -1.302 51.738 53.050 -0.017 0.000 0.928 219 N CB 2.072 40.547 38.487 -0.021 0.000 1.059 219 N HN -0.023 nan 8.380 nan 0.000 0.467 220 P HA -0.126 nan 4.420 nan 0.000 0.221 220 P C 0.339 177.632 177.300 -0.011 0.000 1.145 220 P CA 1.290 64.383 63.100 -0.012 0.000 0.795 220 P CB 0.352 32.046 31.700 -0.011 0.000 0.775 221 K N -0.474 119.918 120.400 -0.012 0.000 2.418 221 K HA 0.104 4.424 4.320 0.001 0.000 0.195 221 K C 0.518 177.112 176.600 -0.010 0.000 1.035 221 K CA 0.096 56.376 56.287 -0.011 0.000 1.003 221 K CB 0.102 32.594 32.500 -0.014 0.000 0.793 221 K HN 0.039 nan 8.250 nan 0.000 0.494 222 V N 1.760 121.666 119.914 -0.013 0.000 2.455 222 V HA 0.051 4.171 4.120 0.001 0.000 0.273 222 V C 1.117 177.205 176.094 -0.009 0.000 1.045 222 V CA -0.033 62.260 62.300 -0.011 0.000 0.976 222 V CB 0.981 32.794 31.823 -0.016 0.000 0.993 222 V HN 0.228 nan 8.190 nan 0.000 0.475 223 A N 5.312 128.130 122.820 -0.003 0.000 1.970 223 A HA 0.221 4.541 4.320 0.001 0.000 0.216 223 A C 0.857 178.428 177.584 -0.023 0.000 1.170 223 A CA 0.986 53.019 52.037 -0.007 0.000 0.645 223 A CB 0.070 19.073 19.000 0.006 0.000 0.816 223 A HN 0.732 nan 8.150 nan 0.000 0.447 224 M N -0.884 118.701 119.600 -0.025 0.000 2.365 224 M HA 0.503 4.983 4.480 0.001 0.000 0.287 224 M C -2.108 174.171 176.300 -0.034 0.000 1.154 224 M CA -0.469 54.800 55.300 -0.051 0.000 0.941 224 M CB 2.181 34.711 32.600 -0.117 0.000 1.704 224 M HN -0.037 nan 8.290 nan 0.000 0.479 225 V N 3.653 123.545 119.914 -0.036 0.000 2.370 225 V HA 0.697 4.817 4.120 0.001 0.000 0.283 225 V C -0.948 175.134 176.094 -0.020 0.000 1.023 225 V CA 0.027 62.315 62.300 -0.020 0.000 0.857 225 V CB 1.779 33.591 31.823 -0.018 0.000 0.985 225 V HN 0.870 nan 8.190 nan 0.000 0.443 226 S N 8.614 124.316 115.700 0.004 0.000 2.437 226 S HA 0.765 5.236 4.470 0.001 0.000 0.305 226 S C -0.685 173.926 174.600 0.018 0.000 1.109 226 S CA -0.680 57.532 58.200 0.019 0.000 1.099 226 S CB 1.022 64.273 63.200 0.084 0.000 1.004 226 S HN 0.901 nan 8.310 nan 0.000 0.475 227 M N 4.214 123.823 119.600 0.015 0.000 2.421 227 M HA 0.447 4.927 4.480 0.001 0.000 0.287 227 M C -1.775 174.537 176.300 0.020 0.000 1.183 227 M CA -0.104 55.204 55.300 0.014 0.000 0.916 227 M CB 1.826 34.434 32.600 0.012 0.000 1.701 227 M HN 0.616 nan 8.290 nan 0.000 0.470 228 T N 2.734 117.297 114.554 0.016 0.000 2.861 228 T HA 0.896 5.246 4.350 0.001 0.000 0.287 228 T C -0.019 174.690 174.700 0.014 0.000 1.003 228 T CA 0.240 62.351 62.100 0.018 0.000 0.977 228 T CB 1.796 70.670 68.868 0.010 0.000 0.996 228 T HN 1.063 nan 8.240 nan 0.000 0.448 229 G N 1.907 110.719 108.800 0.019 0.000 2.439 229 G HA2 0.317 4.278 3.960 0.001 0.000 0.186 229 G HA3 0.317 4.278 3.960 0.001 0.000 0.186 229 G C -0.485 174.447 174.900 0.052 0.000 1.260 229 G CA -0.195 44.919 45.100 0.024 0.000 1.020 229 G HN 1.086 nan 8.290 nan 0.000 0.470 230 S N -0.302 115.452 115.700 0.089 0.000 2.580 230 S HA 0.429 4.900 4.470 0.001 0.000 0.274 230 S C 1.452 176.115 174.600 0.106 0.000 1.329 230 S CA 0.473 58.737 58.200 0.105 0.000 1.036 230 S CB 1.683 64.967 63.200 0.141 0.000 0.919 230 S HN 1.911 nan 8.310 nan 0.000 0.515 231 V N 2.717 122.713 119.914 0.136 0.000 2.490 231 V HA -0.119 4.002 4.120 0.001 0.000 0.250 231 V C 2.529 178.683 176.094 0.099 0.000 1.061 231 V CA 2.564 64.952 62.300 0.146 0.000 1.064 231 V CB -0.725 31.241 31.823 0.238 0.000 0.670 231 V HN 1.098 nan 8.190 nan 0.000 0.461 232 S N -0.325 115.436 115.700 0.101 0.000 2.356 232 S HA -0.129 4.342 4.470 0.001 0.000 0.223 232 S C 2.127 176.766 174.600 0.064 0.000 1.032 232 S CA 1.744 59.991 58.200 0.079 0.000 1.005 232 S CB -0.443 62.809 63.200 0.087 0.000 0.867 232 S HN 0.845 nan 8.310 nan 0.000 0.449 233 A N 0.717 123.581 122.820 0.072 0.000 1.930 233 A HA 0.190 4.511 4.320 0.001 0.000 0.217 233 A C 2.340 179.950 177.584 0.044 0.000 1.175 233 A CA 1.629 53.701 52.037 0.058 0.000 0.627 233 A CB -1.565 17.477 19.000 0.069 0.000 0.815 233 A HN 0.625 nan 8.150 nan 0.000 0.443 234 G N -0.280 108.549 108.800 0.048 0.000 2.422 234 G HA2 -0.222 3.739 3.960 0.001 0.000 0.218 234 G HA3 -0.222 3.739 3.960 0.001 0.000 0.218 234 G C 1.402 176.316 174.900 0.023 0.000 1.146 234 G CA 1.030 46.151 45.100 0.035 0.000 0.769 234 G HN 0.661 nan 8.290 nan 0.000 0.547 235 E N 0.377 120.593 120.200 0.027 0.000 2.077 235 E HA -0.099 4.252 4.350 0.001 0.000 0.193 235 E C 2.532 179.138 176.600 0.011 0.000 0.989 235 E CA 1.002 57.411 56.400 0.015 0.000 0.800 235 E CB -0.076 29.635 29.700 0.018 0.000 0.746 235 E HN 0.384 nan 8.360 nan 0.000 0.452 236 K N 0.430 120.840 120.400 0.017 0.000 2.097 236 K HA -0.086 4.234 4.320 0.001 0.000 0.205 236 K C 2.145 178.749 176.600 0.007 0.000 1.050 236 K CA 0.872 57.167 56.287 0.012 0.000 0.938 236 K CB -0.055 32.456 32.500 0.017 0.000 0.718 236 K HN 0.126 nan 8.250 nan 0.000 0.442 237 I N 0.994 121.569 120.570 0.008 0.000 2.202 237 I HA -0.281 3.889 4.170 0.001 0.000 0.242 237 I C 2.650 178.765 176.117 -0.003 0.000 1.091 237 I CA 1.169 62.471 61.300 0.002 0.000 1.368 237 I CB -0.100 37.903 38.000 0.005 0.000 1.058 237 I HN 0.210 nan 8.210 nan 0.000 0.410 238 M N 0.504 120.102 119.600 -0.003 0.000 2.132 238 M HA -0.182 4.298 4.480 0.001 0.000 0.263 238 M C 2.404 178.698 176.300 -0.010 0.000 1.065 238 M CA 2.026 57.321 55.300 -0.009 0.000 1.122 238 M CB -0.105 32.489 32.600 -0.011 0.000 1.365 238 M HN 0.258 nan 8.290 nan 0.000 0.411 239 A N -0.357 122.459 122.820 -0.007 0.000 1.908 239 A HA -0.170 4.151 4.320 0.001 0.000 0.218 239 A C 2.065 179.644 177.584 -0.008 0.000 1.181 239 A CA 2.381 54.413 52.037 -0.007 0.000 0.627 239 A CB -1.295 17.702 19.000 -0.004 0.000 0.818 239 A HN 0.571 nan 8.150 nan 0.000 0.445 240 T N 0.061 114.611 114.554 -0.007 0.000 2.821 240 T HA 0.058 4.409 4.350 0.001 0.000 0.267 240 T C 2.201 176.895 174.700 -0.011 0.000 1.046 240 T CA 1.343 63.438 62.100 -0.008 0.000 1.139 240 T CB -0.392 68.472 68.868 -0.007 0.000 0.871 240 T HN 0.594 nan 8.240 nan 0.000 0.454 241 A N 1.481 124.293 122.820 -0.012 0.000 1.972 241 A HA 0.138 4.459 4.320 0.001 0.000 0.219 241 A C 2.624 180.199 177.584 -0.015 0.000 1.169 241 A CA 1.724 53.752 52.037 -0.015 0.000 0.635 241 A CB -1.010 17.979 19.000 -0.017 0.000 0.810 241 A HN 0.498 nan 8.150 nan 0.000 0.446 242 A N 0.157 122.968 122.820 -0.014 0.000 1.948 242 A HA -0.227 4.093 4.320 0.001 0.000 0.220 242 A C 2.044 179.620 177.584 -0.013 0.000 1.177 242 A CA 1.914 53.942 52.037 -0.015 0.000 0.636 242 A CB -0.493 18.499 19.000 -0.014 0.000 0.815 242 A HN 0.583 nan 8.150 nan 0.000 0.449 243 K N -0.443 119.950 120.400 -0.012 0.000 2.160 243 K HA -0.136 4.185 4.320 0.001 0.000 0.206 243 K C 0.455 177.049 176.600 -0.011 0.000 1.047 243 K CA 1.426 57.706 56.287 -0.011 0.000 0.930 243 K CB -0.149 32.345 32.500 -0.010 0.000 0.720 243 K HN 0.473 nan 8.250 nan 0.000 0.450 244 N N 0.451 119.144 118.700 -0.012 0.000 2.200 244 N HA 0.093 4.834 4.740 0.001 0.000 0.224 244 N C -0.358 175.144 175.510 -0.013 0.000 1.179 244 N CA 0.073 53.116 53.050 -0.012 0.000 0.877 244 N CB 0.830 39.309 38.487 -0.012 0.000 1.072 244 N HN 0.002 nan 8.380 nan 0.000 0.519 245 I N 0.793 121.355 120.570 -0.014 0.000 6.395 245 I HA -0.233 3.938 4.170 0.001 0.000 0.126 245 I C -0.403 175.703 176.117 -0.018 0.000 1.812 245 I CA 0.774 62.065 61.300 -0.016 0.000 2.112 245 I CB -3.220 34.771 38.000 -0.015 0.000 3.457 245 I HN -0.042 nan 8.210 nan 0.000 0.192 246 T N 2.365 116.907 114.554 -0.019 0.000 2.814 246 T HA 0.154 4.505 4.350 0.001 0.000 0.297 246 T C 0.805 175.488 174.700 -0.028 0.000 0.956 246 T CA -0.349 61.737 62.100 -0.022 0.000 1.123 246 T CB 1.591 70.446 68.868 -0.021 0.000 0.902 246 T HN 0.284 nan 8.240 nan 0.000 0.528 247 K N 3.026 123.405 120.400 -0.035 0.000 2.448 247 K HA 0.266 4.587 4.320 0.001 0.000 0.278 247 K C 0.152 176.722 176.600 -0.051 0.000 1.009 247 K CA -0.394 55.866 56.287 -0.046 0.000 0.995 247 K CB 0.251 32.715 32.500 -0.060 0.000 0.917 247 K HN 0.480 nan 8.250 nan 0.000 0.481 251 E N 3.153 123.369 120.200 0.028 0.000 2.279 251 E HA 0.414 4.764 4.350 0.001 0.000 0.252 251 E C -1.089 175.540 176.600 0.049 0.000 0.894 251 E CA -0.350 56.070 56.400 0.034 0.000 0.785 251 E CB 1.553 31.292 29.700 0.065 0.000 1.237 251 E HN 0.637 nan 8.360 nan 0.000 0.418 252 L N 3.638 124.901 121.223 0.068 0.000 3.062 252 L HA 0.350 4.691 4.340 0.001 0.000 0.255 252 L C 1.077 177.999 176.870 0.087 0.000 1.274 252 L CA -0.136 54.761 54.840 0.094 0.000 1.047 252 L CB 0.009 42.150 42.059 0.136 0.000 1.402 252 L HN 0.769 nan 8.230 nan 0.000 0.550 253 G N 0.694 109.518 108.800 0.040 0.000 2.574 253 G HA2 -0.008 3.953 3.960 0.001 0.000 0.282 253 G HA3 -0.008 3.953 3.960 0.001 0.000 0.282 253 G C 0.229 175.076 174.900 -0.089 0.000 1.257 253 G CA -0.000 45.082 45.100 -0.030 0.000 0.956 253 G HN 0.841 nan 8.290 nan 0.000 0.560 254 G N -2.350 106.248 108.800 -0.337 0.000 2.491 254 G HA2 0.517 4.478 3.960 0.001 0.000 0.183 254 G HA3 0.517 4.478 3.960 0.001 0.000 0.183 254 G C -1.045 173.617 174.900 -0.398 0.000 1.221 254 G CA 0.580 45.315 45.100 -0.608 0.000 0.996 254 G HN 1.124 nan 8.290 nan 0.000 0.474 255 K N 1.065 121.397 120.400 -0.113 0.000 3.029 255 K HA 0.592 4.913 4.320 0.001 0.000 0.169 255 K C 0.231 176.884 176.600 0.087 0.000 1.090 255 K CA 0.051 56.327 56.287 -0.019 0.000 0.883 255 K CB 0.926 33.445 32.500 0.032 0.000 1.080 255 K HN 1.064 nan 8.250 nan 0.000 0.613 256 A N 3.564 126.417 122.820 0.055 0.000 2.550 256 A HA 0.058 4.378 4.320 0.001 0.000 0.263 256 A C -2.017 175.576 177.584 0.014 0.000 1.065 256 A CA -0.068 51.990 52.037 0.035 0.000 0.786 256 A CB -0.555 18.456 19.000 0.017 0.000 0.985 256 A HN 0.190 nan 8.150 nan 0.000 0.518 257 P HA 0.527 nan 4.420 nan 0.000 0.290 257 P C -0.817 176.496 177.300 0.021 0.000 1.275 257 P CA -0.375 62.764 63.100 0.066 0.000 0.841 257 P CB 1.884 33.658 31.700 0.125 0.000 1.042 258 A N 4.015 126.920 122.820 0.142 0.000 2.330 258 A HA 0.657 4.978 4.320 0.001 0.000 0.313 258 A C -0.345 177.371 177.584 0.219 0.000 1.124 258 A CA -0.857 51.276 52.037 0.161 0.000 0.774 258 A CB 0.498 19.610 19.000 0.186 0.000 1.198 258 A HN 0.456 nan 8.150 nan 0.000 0.465 259 I N 3.162 123.836 120.570 0.172 0.000 2.330 259 I HA 0.297 4.468 4.170 0.001 0.000 0.289 259 I C -0.720 175.543 176.117 0.242 0.000 1.001 259 I CA -0.721 60.680 61.300 0.168 0.000 1.193 259 I CB 1.773 39.765 38.000 -0.013 0.000 1.345 259 I HN 0.296 nan 8.210 nan 0.000 0.461 260 V N 6.980 127.006 119.914 0.186 0.000 2.311 260 V HA 0.327 4.447 4.120 0.001 0.000 0.275 260 V C 0.530 176.683 176.094 0.098 0.000 1.022 260 V CA -0.590 61.724 62.300 0.024 0.000 0.830 260 V CB 0.938 32.447 31.823 -0.523 0.000 1.012 260 V HN 0.619 nan 8.190 nan 0.000 0.452 261 M N 2.055 121.743 119.600 0.148 0.000 2.163 261 M HA 0.306 4.787 4.480 0.001 0.000 0.305 261 M C 1.239 177.557 176.300 0.030 0.000 1.166 261 M CA -0.225 55.155 55.300 0.133 0.000 1.132 261 M CB 0.407 33.091 32.600 0.140 0.000 1.413 261 M HN 0.476 nan 8.290 nan 0.000 0.478 262 D N 0.990 121.395 120.400 0.008 0.000 2.117 262 D HA -0.150 4.491 4.640 0.001 0.000 0.197 262 D C 0.890 177.203 176.300 0.021 0.000 0.987 262 D CA 1.405 55.402 54.000 -0.005 0.000 0.829 262 D CB -0.151 40.642 40.800 -0.012 0.000 0.961 262 D HN 0.629 nan 8.370 nan 0.000 0.460 263 D N 0.374 120.795 120.400 0.035 0.000 2.344 263 D HA 0.099 4.740 4.640 0.001 0.000 0.242 263 D C 0.027 176.359 176.300 0.054 0.000 1.159 263 D CA -0.148 53.876 54.000 0.040 0.000 0.859 263 D CB -0.325 40.499 40.800 0.040 0.000 0.925 263 D HN -0.060 nan 8.370 nan 0.000 0.510 264 A N 0.408 123.265 122.820 0.061 0.000 2.310 264 A HA 0.188 4.509 4.320 0.001 0.000 0.299 264 A C 0.225 177.856 177.584 0.078 0.000 1.147 264 A CA -0.675 51.416 52.037 0.089 0.000 0.818 264 A CB 0.655 19.723 19.000 0.112 0.000 1.096 264 A HN 0.132 nan 8.150 nan 0.000 0.495 265 D N 2.795 123.252 120.400 0.095 0.000 2.422 265 D HA -0.042 4.598 4.640 0.001 0.000 0.263 265 D C 1.203 177.542 176.300 0.064 0.000 1.334 265 D CA -0.149 53.896 54.000 0.076 0.000 1.105 265 D CB 0.093 40.945 40.800 0.087 0.000 1.107 265 D HN 0.479 nan 8.370 nan 0.000 0.522 266 L N 4.802 126.061 121.223 0.061 0.000 2.034 266 L HA -0.268 4.073 4.340 0.001 0.000 0.217 266 L C 1.893 178.789 176.870 0.043 0.000 1.077 266 L CA 1.980 56.868 54.840 0.080 0.000 0.769 266 L CB -0.396 41.706 42.059 0.070 0.000 0.890 266 L HN 0.409 nan 8.230 nan 0.000 0.435 267 E N -0.602 119.610 120.200 0.019 0.000 2.058 267 E HA -0.279 4.071 4.350 0.001 0.000 0.194 267 E C 2.297 178.896 176.600 -0.002 0.000 0.997 267 E CA 1.586 57.984 56.400 -0.003 0.000 0.801 267 E CB -0.465 29.236 29.700 0.001 0.000 0.746 267 E HN 0.621 nan 8.360 nan 0.000 0.450 268 L N 0.847 122.084 121.223 0.023 0.000 1.989 268 L HA -0.219 4.122 4.340 0.001 0.000 0.211 268 L C 2.488 179.347 176.870 -0.019 0.000 1.071 268 L CA 1.569 56.434 54.840 0.043 0.000 0.749 268 L CB -0.340 41.781 42.059 0.103 0.000 0.890 268 L HN 0.123 nan 8.230 nan 0.000 0.431 269 A N -0.558 122.189 122.820 -0.121 0.000 1.873 269 A HA -0.217 4.104 4.320 0.001 0.000 0.218 269 A C 2.192 179.657 177.584 -0.199 0.000 1.193 269 A CA 2.281 54.025 52.037 -0.488 0.000 0.629 269 A CB -1.183 17.553 19.000 -0.440 0.000 0.826 269 A HN 0.356 nan 8.150 nan 0.000 0.447 270 V N 0.340 120.236 119.914 -0.030 0.000 2.287 270 V HA -0.302 3.818 4.120 0.001 0.000 0.248 270 V C 2.577 178.616 176.094 -0.092 0.000 1.053 270 V CA 2.507 64.744 62.300 -0.106 0.000 1.027 270 V CB -0.722 30.974 31.823 -0.212 0.000 0.646 270 V HN 0.715 nan 8.190 nan 0.000 0.447 271 K N 0.283 120.644 120.400 -0.064 0.000 2.057 271 K HA -0.183 4.138 4.320 0.001 0.000 0.207 271 K C 2.199 178.791 176.600 -0.014 0.000 1.049 271 K CA 1.597 57.862 56.287 -0.036 0.000 0.931 271 K CB -0.357 32.134 32.500 -0.015 0.000 0.714 271 K HN 0.417 nan 8.250 nan 0.000 0.440 272 A N 1.250 124.069 122.820 -0.001 0.000 1.933 272 A HA -0.130 4.191 4.320 0.001 0.000 0.218 272 A C 2.057 179.660 177.584 0.031 0.000 1.175 272 A CA 1.467 53.533 52.037 0.049 0.000 0.628 272 A CB -0.502 18.600 19.000 0.170 0.000 0.814 272 A HN 0.368 nan 8.150 nan 0.000 0.444 273 I N 0.050 120.618 120.570 -0.004 0.000 2.353 273 I HA -0.163 4.008 4.170 0.001 0.000 0.248 273 I C 2.419 178.537 176.117 0.002 0.000 1.119 273 I CA 1.403 62.713 61.300 0.017 0.000 1.417 273 I CB -0.185 37.840 38.000 0.043 0.000 1.078 273 I HN 0.345 nan 8.210 nan 0.000 0.421 274 V N -2.619 117.284 119.914 -0.019 0.000 2.535 274 V HA -0.052 4.068 4.120 0.001 0.000 0.246 274 V C 1.540 177.629 176.094 -0.008 0.000 1.045 274 V CA 1.362 63.652 62.300 -0.017 0.000 1.058 274 V CB -0.621 31.178 31.823 -0.039 0.000 0.689 274 V HN 0.261 nan 8.190 nan 0.000 0.461 275 D N 0.513 120.907 120.400 -0.010 0.000 2.363 275 D HA 0.095 4.735 4.640 0.001 0.000 0.226 275 D C 1.835 178.123 176.300 -0.019 0.000 1.020 275 D CA 0.970 54.965 54.000 -0.008 0.000 0.892 275 D CB 0.743 41.542 40.800 -0.002 0.000 0.900 275 D HN 0.563 nan 8.370 nan 0.000 0.531 276 S N -0.372 115.314 115.700 -0.022 0.000 2.641 276 S HA 0.072 4.542 4.470 0.001 0.000 0.239 276 S C 1.692 176.272 174.600 -0.033 0.000 1.081 276 S CA -0.239 57.932 58.200 -0.048 0.000 0.904 276 S CB 0.774 63.945 63.200 -0.049 0.000 0.803 276 S HN 0.074 nan 8.310 nan 0.000 0.510 277 R N 1.158 121.654 120.500 -0.007 0.000 2.339 277 R HA 0.202 4.543 4.340 0.001 0.000 0.199 277 R C 1.470 177.787 176.300 0.027 0.000 1.018 277 R CA 0.315 56.423 56.100 0.014 0.000 1.036 277 R CB -0.608 29.707 30.300 0.025 0.000 0.899 277 R HN 0.318 nan 8.270 nan 0.000 0.473 278 V N 1.362 121.285 119.914 0.015 0.000 3.621 278 V HA 0.108 4.228 4.120 0.001 0.000 0.263 278 V C 1.181 177.281 176.094 0.010 0.000 1.272 278 V CA 0.054 62.369 62.300 0.025 0.000 1.080 278 V CB 0.096 31.933 31.823 0.022 0.000 0.816 278 V HN 0.191 nan 8.190 nan 0.000 0.451 279 I N 0.604 121.164 120.570 -0.016 0.000 2.624 279 I HA 0.326 4.496 4.170 0.001 0.000 0.277 279 I C 0.269 176.369 176.117 -0.027 0.000 1.011 279 I CA 0.772 62.048 61.300 -0.040 0.000 2.219 279 I CB -1.310 36.630 38.000 -0.100 0.000 1.499 279 I HN 0.496 nan 8.210 nan 0.000 0.955 280 N N 2.159 120.850 118.700 -0.016 0.000 5.120 280 N HA -0.169 4.571 4.740 0.001 0.000 0.261 280 N C 0.337 175.881 175.510 0.056 0.000 0.847 280 N CA 0.580 53.620 53.050 -0.017 0.000 1.861 280 N CB -0.861 37.595 38.487 -0.052 0.000 1.722 280 N HN 0.513 nan 8.380 nan 0.000 0.771 281 S N 0.617 116.353 115.700 0.060 0.000 3.462 281 S HA -0.207 4.264 4.470 0.001 0.000 0.370 281 S C 0.974 175.633 174.600 0.099 0.000 1.028 281 S CA 2.301 60.553 58.200 0.087 0.000 1.119 281 S CB -1.890 61.358 63.200 0.080 0.000 0.906 281 S HN 1.849 nan 8.310 nan 0.000 0.471 282 G N 0.416 109.268 108.800 0.088 0.000 2.359 282 G HA2 -0.271 3.690 3.960 0.001 0.000 0.298 282 G HA3 -0.271 3.690 3.960 0.001 0.000 0.298 282 G C 0.022 174.997 174.900 0.125 0.000 1.030 282 G CA 0.660 45.813 45.100 0.090 0.000 1.149 282 G HN 0.810 nan 8.290 nan 0.000 0.512 283 Q N -1.698 118.192 119.800 0.151 0.000 2.113 283 Q HA 0.266 4.607 4.340 0.001 0.000 0.225 283 Q C 0.849 176.938 176.000 0.148 0.000 0.786 283 Q CA -0.235 55.716 55.803 0.248 0.000 0.989 283 Q CB 1.541 30.553 28.738 0.457 0.000 1.174 283 Q HN 0.454 nan 8.270 nan 0.000 0.470 284 V N 1.235 121.212 119.914 0.105 0.000 2.834 284 V HA -0.004 4.117 4.120 0.001 0.000 0.301 284 V C 1.218 177.319 176.094 0.012 0.000 1.066 284 V CA -0.363 61.990 62.300 0.088 0.000 1.052 284 V CB 1.315 33.193 31.823 0.091 0.000 1.021 284 V HN 0.544 nan 8.190 nan 0.000 0.480 285 C N 1.283 120.575 119.300 -0.014 0.000 2.614 285 C HA 0.310 4.771 4.460 0.001 0.000 0.299 285 C C 1.024 176.025 174.990 0.019 0.000 1.293 285 C CA -0.450 58.560 59.018 -0.014 0.000 1.713 285 C CB -1.903 25.831 27.740 -0.009 0.000 1.890 285 C HN 0.871 nan 8.230 nan 0.000 0.602 286 N N -0.196 118.500 118.700 -0.007 0.000 2.317 286 N HA 0.127 4.868 4.740 0.001 0.000 0.199 286 N C -0.102 175.387 175.510 -0.036 0.000 1.145 286 N CA 0.186 53.244 53.050 0.013 0.000 0.882 286 N CB 0.112 38.584 38.487 -0.026 0.000 1.113 286 N HN 0.472 nan 8.380 nan 0.000 0.486 287 C N 2.436 121.705 119.300 -0.051 0.000 2.435 287 C HA 0.636 5.096 4.460 0.001 0.000 0.375 287 C C 1.194 176.175 174.990 -0.015 0.000 1.281 287 C CA -1.591 57.398 59.018 -0.048 0.000 1.963 287 C CB -0.157 27.553 27.740 -0.049 0.000 2.490 287 C HN 0.411 nan 8.230 nan 0.000 0.557 288 A N 2.678 125.498 122.820 -0.000 0.000 2.568 288 A HA -0.093 4.228 4.320 0.001 0.000 0.273 288 A C 1.001 178.589 177.584 0.007 0.000 0.978 288 A CA 0.797 52.845 52.037 0.018 0.000 0.946 288 A CB -0.142 18.889 19.000 0.051 0.000 0.842 288 A HN 0.993 nan 8.150 nan 0.000 0.484 289 E N 1.600 121.798 120.200 -0.004 0.000 2.526 289 E HA 0.115 4.466 4.350 0.001 0.000 0.208 289 E C 0.015 176.591 176.600 -0.040 0.000 0.997 289 E CA 0.000 56.386 56.400 -0.024 0.000 0.961 289 E CB 0.232 29.904 29.700 -0.047 0.000 1.030 289 E HN 0.716 nan 8.360 nan 0.000 0.483 290 R N 0.703 121.182 120.500 -0.035 0.000 2.575 290 R HA 0.305 4.646 4.340 0.001 0.000 0.292 290 R C -1.456 174.738 176.300 -0.176 0.000 1.246 290 R CA -0.454 55.574 56.100 -0.120 0.000 0.973 290 R CB 2.132 32.427 30.300 -0.009 0.000 1.187 290 R HN -0.118 nan 8.270 nan 0.000 0.478 291 V N 4.359 124.128 119.914 -0.242 0.000 2.350 291 V HA 0.320 4.440 4.120 0.001 0.000 0.276 291 V C -0.722 175.216 176.094 -0.261 0.000 1.028 291 V CA -0.683 61.534 62.300 -0.137 0.000 0.860 291 V CB 0.556 32.393 31.823 0.023 0.000 0.990 291 V HN 0.534 nan 8.190 nan 0.000 0.453 292 Y N 3.624 123.985 120.300 0.101 0.000 2.353 292 Y HA 0.612 5.162 4.550 0.001 0.000 0.340 292 Y C 0.086 176.185 175.900 0.332 0.000 0.972 292 Y CA -0.811 57.421 58.100 0.221 0.000 1.157 292 Y CB 1.664 40.192 38.460 0.114 0.000 1.157 292 Y HN 0.388 nan 8.280 nan 0.000 0.495 293 V N 4.285 124.423 119.914 0.373 0.000 2.487 293 V HA 0.308 4.428 4.120 0.001 0.000 0.298 293 V C -0.395 175.530 176.094 -0.282 0.000 1.028 293 V CA -1.238 61.092 62.300 0.049 0.000 0.860 293 V CB 1.451 33.212 31.823 -0.103 0.000 0.991 293 V HN 0.759 nan 8.190 nan 0.000 0.427 294 Q N 4.534 123.801 119.800 -0.889 0.000 2.354 294 Q HA 0.396 4.737 4.340 0.001 0.000 0.244 294 Q C 0.570 176.354 176.000 -0.359 0.000 0.969 294 Q CA -0.757 54.362 55.803 -1.139 0.000 0.885 294 Q CB 1.145 29.081 28.738 -1.337 0.000 1.241 294 Q HN 0.447 nan 8.270 nan 0.000 0.461 295 K N 2.148 122.379 120.400 -0.281 0.000 2.030 295 K HA -0.257 4.063 4.320 0.001 0.000 0.222 295 K C 2.001 178.580 176.600 -0.036 0.000 1.056 295 K CA 2.021 58.237 56.287 -0.120 0.000 0.957 295 K CB -1.574 30.851 32.500 -0.125 0.000 0.727 295 K HN 0.977 nan 8.250 nan 0.000 0.452 296 G N 1.367 110.129 108.800 -0.064 0.000 2.656 296 G HA2 -0.289 3.672 3.960 0.001 0.000 0.223 296 G HA3 -0.289 3.672 3.960 0.001 0.000 0.223 296 G C 1.480 176.383 174.900 0.006 0.000 1.130 296 G CA 1.331 46.416 45.100 -0.025 0.000 0.758 296 G HN 0.465 nan 8.290 nan 0.000 0.608 297 I N -1.885 118.688 120.570 0.006 0.000 4.154 297 I HA 0.301 4.472 4.170 0.001 0.000 0.334 297 I C 1.852 178.024 176.117 0.092 0.000 1.371 297 I CA -0.470 60.853 61.300 0.038 0.000 1.110 297 I CB 0.185 38.194 38.000 0.014 0.000 1.085 297 I HN 0.206 nan 8.210 nan 0.000 0.398 298 Y N 2.115 122.399 120.300 -0.027 0.000 1.977 298 Y HA -0.449 4.102 4.550 0.001 0.000 0.264 298 Y C 2.091 178.036 175.900 0.075 0.000 1.167 298 Y CA 2.618 60.730 58.100 0.020 0.000 1.102 298 Y CB -0.297 38.149 38.460 -0.023 0.000 0.948 298 Y HN 0.294 nan 8.280 nan 0.000 0.489 299 D N -0.239 120.298 120.400 0.229 0.000 2.126 299 D HA -0.264 4.377 4.640 0.001 0.000 0.190 299 D C 2.139 178.439 176.300 0.001 0.000 1.001 299 D CA 2.100 56.165 54.000 0.109 0.000 0.841 299 D CB -0.510 40.363 40.800 0.122 0.000 0.949 299 D HN 0.604 nan 8.370 nan 0.000 0.446 300 Q N -0.578 119.237 119.800 0.025 0.000 2.030 300 Q HA -0.170 4.171 4.340 0.001 0.000 0.204 300 Q C 2.194 178.177 176.000 -0.028 0.000 0.986 300 Q CA 1.108 56.912 55.803 0.001 0.000 0.843 300 Q CB -0.288 28.466 28.738 0.028 0.000 0.904 300 Q HN 0.267 nan 8.270 nan 0.000 0.420 301 F N 0.765 120.632 119.950 -0.138 0.000 2.069 301 F HA -0.249 4.278 4.527 0.001 0.000 0.298 301 F C 2.057 177.728 175.800 -0.215 0.000 1.113 301 F CA 1.304 59.202 58.000 -0.171 0.000 1.214 301 F CB -0.360 38.532 39.000 -0.181 0.000 0.978 301 F HN -0.180 nan 8.300 nan 0.000 0.474 302 V N 1.009 120.751 119.914 -0.288 0.000 2.392 302 V HA -0.354 3.766 4.120 0.001 0.000 0.249 302 V C 2.286 178.193 176.094 -0.312 0.000 1.059 302 V CA 2.146 64.225 62.300 -0.368 0.000 1.051 302 V CB -0.910 30.673 31.823 -0.400 0.000 0.658 302 V HN 0.418 nan 8.190 nan 0.000 0.455 303 N N 0.275 118.835 118.700 -0.235 0.000 2.080 303 N HA -0.122 4.619 4.740 0.001 0.000 0.189 303 N C 2.046 177.416 175.510 -0.234 0.000 1.036 303 N CA 1.428 54.364 53.050 -0.189 0.000 0.846 303 N CB -0.285 38.128 38.487 -0.123 0.000 1.015 303 N HN 0.473 nan 8.380 nan 0.000 0.423 304 R N 0.587 120.929 120.500 -0.262 0.000 2.091 304 R HA -0.101 4.240 4.340 0.001 0.000 0.238 304 R C 2.163 178.260 176.300 -0.338 0.000 1.136 304 R CA 0.782 56.722 56.100 -0.267 0.000 0.959 304 R CB -0.479 29.673 30.300 -0.245 0.000 0.856 304 R HN 0.137 nan 8.270 nan 0.000 0.437 305 L N 0.462 121.381 121.223 -0.506 0.000 2.083 305 L HA -0.020 4.320 4.340 0.001 0.000 0.209 305 L C 2.126 178.809 176.870 -0.313 0.000 1.083 305 L CA 2.005 56.553 54.840 -0.487 0.000 0.752 305 L CB -0.905 40.718 42.059 -0.726 0.000 0.899 305 L HN 0.168 nan 8.230 nan 0.000 0.433 306 G N -1.201 107.422 108.800 -0.295 0.000 2.418 306 G HA2 -0.238 3.723 3.960 0.001 0.000 0.217 306 G HA3 -0.238 3.723 3.960 0.001 0.000 0.217 306 G C 1.439 176.136 174.900 -0.339 0.000 1.158 306 G CA 0.757 45.693 45.100 -0.273 0.000 0.771 306 G HN 0.526 nan 8.290 nan 0.000 0.545 307 E N 0.525 120.558 120.200 -0.278 0.000 2.106 307 E HA -0.007 4.343 4.350 0.001 0.000 0.192 307 E C 2.906 179.370 176.600 -0.226 0.000 0.984 307 E CA 0.692 56.941 56.400 -0.252 0.000 0.806 307 E CB -0.162 29.425 29.700 -0.189 0.000 0.750 307 E HN 0.411 nan 8.360 nan 0.000 0.458 308 A N 1.062 123.760 122.820 -0.203 0.000 1.902 308 A HA -0.172 4.148 4.320 0.001 0.000 0.217 308 A C 2.131 179.641 177.584 -0.123 0.000 1.181 308 A CA 1.319 53.266 52.037 -0.150 0.000 0.623 308 A CB -0.400 18.512 19.000 -0.148 0.000 0.818 308 A HN 0.143 nan 8.150 nan 0.000 0.443 309 M N -1.122 118.390 119.600 -0.146 0.000 2.319 309 M HA -0.136 4.344 4.480 0.001 0.000 0.265 309 M C 2.301 178.571 176.300 -0.050 0.000 1.068 309 M CA 0.996 56.267 55.300 -0.047 0.000 1.118 309 M CB -0.260 32.360 32.600 0.032 0.000 1.395 309 M HN 0.484 nan 8.290 nan 0.000 0.435 310 Q N 0.056 119.640 119.800 -0.360 0.000 2.167 310 Q HA -0.096 4.245 4.340 0.001 0.000 0.202 310 Q C 2.113 178.079 176.000 -0.057 0.000 0.970 310 Q CA 1.488 57.074 55.803 -0.361 0.000 0.855 310 Q CB -0.088 28.342 28.738 -0.512 0.000 0.911 310 Q HN 0.574 nan 8.270 nan 0.000 0.438 311 A N 0.344 123.118 122.820 -0.077 0.000 2.168 311 A HA 0.001 4.322 4.320 0.001 0.000 0.215 311 A C 1.016 178.600 177.584 0.001 0.000 1.152 311 A CA 0.229 52.241 52.037 -0.040 0.000 0.716 311 A CB 0.085 19.051 19.000 -0.057 0.000 0.794 311 A HN 0.114 nan 8.150 nan 0.000 0.465 312 V N 2.939 122.880 119.914 0.045 0.000 2.403 312 V HA 0.034 4.155 4.120 0.001 0.000 0.265 312 V C -0.074 176.079 176.094 0.098 0.000 1.034 312 V CA 0.030 62.379 62.300 0.082 0.000 1.036 312 V CB 0.183 32.081 31.823 0.126 0.000 1.032 312 V HN 0.510 nan 8.190 nan 0.000 0.478 313 Q N 4.953 124.774 119.800 0.036 0.000 2.235 313 Q HA 0.507 4.847 4.340 0.001 0.000 0.250 313 Q C -0.533 175.487 176.000 0.033 0.000 0.909 313 Q CA -0.300 55.471 55.803 -0.053 0.000 0.910 313 Q CB 2.175 30.853 28.738 -0.101 0.000 1.223 313 Q HN 0.696 nan 8.270 nan 0.000 0.432 314 F N -1.251 118.709 119.950 0.016 0.000 2.538 314 F HA 0.928 5.456 4.527 0.001 0.000 0.325 314 F C 0.188 175.977 175.800 -0.018 0.000 1.066 314 F CA -0.802 57.230 58.000 0.053 0.000 0.946 314 F CB 1.749 40.817 39.000 0.114 0.000 1.199 314 F HN 0.646 nan 8.300 nan 0.000 0.473 315 G N 0.959 109.976 108.800 0.361 0.000 2.333 315 G HA2 0.092 4.053 3.960 0.001 0.000 0.288 315 G HA3 0.092 4.053 3.960 0.001 0.000 0.288 315 G C -2.025 173.069 174.900 0.322 0.000 1.286 315 G CA -1.247 43.932 45.100 0.132 0.000 0.865 315 G HN 0.845 nan 8.290 nan 0.000 0.506 316 N N 1.215 120.029 118.700 0.189 0.000 2.427 316 N HA 0.231 4.972 4.740 0.001 0.000 0.269 316 N C -1.189 174.387 175.510 0.109 0.000 1.235 316 N CA -1.312 51.849 53.050 0.185 0.000 0.934 316 N CB 1.542 40.095 38.487 0.110 0.000 1.121 316 N HN 0.033 nan 8.380 nan 0.000 0.480 317 P HA -0.124 nan 4.420 nan 0.000 0.216 317 P C 0.750 178.075 177.300 0.042 0.000 1.150 317 P CA 1.395 64.534 63.100 0.066 0.000 0.843 317 P CB 0.193 31.927 31.700 0.056 0.000 0.787 318 A N -0.229 122.615 122.820 0.040 0.000 2.015 318 A HA -0.176 4.145 4.320 0.001 0.000 0.219 318 A C 1.913 179.508 177.584 0.019 0.000 1.163 318 A CA 1.427 53.479 52.037 0.026 0.000 0.646 318 A CB -0.789 18.226 19.000 0.025 0.000 0.806 318 A HN 0.226 nan 8.150 nan 0.000 0.448 319 E N -1.111 119.102 120.200 0.021 0.000 2.460 319 E HA 0.095 4.446 4.350 0.001 0.000 0.200 319 E C -0.197 176.404 176.600 0.002 0.000 1.011 319 E CA -0.060 56.345 56.400 0.008 0.000 0.912 319 E CB 0.436 30.138 29.700 0.004 0.000 0.953 319 E HN 0.294 nan 8.360 nan 0.000 0.494 320 R N 2.178 122.684 120.500 0.009 0.000 2.473 320 R HA 0.176 4.517 4.340 0.001 0.000 0.303 320 R C -0.045 176.260 176.300 0.009 0.000 1.002 320 R CA -0.202 55.899 56.100 0.001 0.000 0.884 320 R CB 0.888 31.184 30.300 -0.006 0.000 1.173 320 R HN 0.102 nan 8.270 nan 0.000 0.464 321 N N 1.688 120.390 118.700 0.003 0.000 2.251 321 N HA -0.063 4.678 4.740 0.001 0.000 0.217 321 N C -0.145 175.367 175.510 0.003 0.000 1.124 321 N CA -0.057 52.996 53.050 0.006 0.000 0.843 321 N CB 0.479 38.968 38.487 0.004 0.000 1.024 321 N HN 0.512 nan 8.380 nan 0.000 0.501 322 D N 0.270 120.669 120.400 -0.003 0.000 2.535 322 D HA 0.088 4.729 4.640 0.001 0.000 0.229 322 D C 0.584 176.880 176.300 -0.008 0.000 1.238 322 D CA -0.452 53.543 54.000 -0.008 0.000 0.824 322 D CB -0.115 40.675 40.800 -0.017 0.000 1.045 322 D HN 0.472 nan 8.370 nan 0.000 0.500 323 I N -3.220 117.353 120.570 0.004 0.000 2.607 323 I HA 0.729 4.899 4.170 0.001 0.000 0.305 323 I C 0.669 176.808 176.117 0.036 0.000 0.995 323 I CA -1.154 60.155 61.300 0.016 0.000 1.148 323 I CB 2.249 40.267 38.000 0.031 0.000 1.323 323 I HN -0.215 nan 8.210 nan 0.000 0.461 324 A N 5.500 128.350 122.820 0.050 0.000 2.267 324 A HA 0.405 4.725 4.320 0.001 0.000 0.213 324 A C 0.637 178.271 177.584 0.084 0.000 1.192 324 A CA 0.160 52.230 52.037 0.055 0.000 0.851 324 A CB 0.075 19.104 19.000 0.048 0.000 0.881 324 A HN 0.841 nan 8.150 nan 0.000 0.494 325 M N -0.860 118.816 119.600 0.128 0.000 2.378 325 M HA 0.580 5.061 4.480 0.001 0.000 0.289 325 M C -0.229 176.200 176.300 0.215 0.000 1.136 325 M CA -0.468 54.931 55.300 0.165 0.000 0.917 325 M CB 1.799 34.526 32.600 0.212 0.000 1.669 325 M HN 0.153 nan 8.290 nan 0.000 0.461 326 G N 2.728 111.625 108.800 0.161 0.000 2.795 326 G HA2 0.824 4.784 3.960 0.001 0.000 0.267 326 G HA3 0.824 4.784 3.960 0.001 0.000 0.267 326 G C -3.104 171.840 174.900 0.074 0.000 1.362 326 G CA -1.157 44.042 45.100 0.165 0.000 1.048 326 G HN 0.477 nan 8.290 nan 0.000 0.547 327 P HA 0.327 nan 4.420 nan 0.000 0.278 327 P C -0.128 177.007 177.300 -0.275 0.000 1.258 327 P CA -0.471 62.308 63.100 -0.536 0.000 0.811 327 P CB 1.488 32.613 31.700 -0.957 0.000 1.063 328 L N 1.453 122.517 121.223 -0.265 0.000 2.464 328 L HA 0.059 4.400 4.340 0.001 0.000 0.264 328 L C 2.335 178.953 176.870 -0.420 0.000 1.199 328 L CA -0.445 54.223 54.840 -0.287 0.000 0.818 328 L CB -0.063 41.834 42.059 -0.271 0.000 1.102 328 L HN 0.319 nan 8.230 nan 0.000 0.473 329 I N 1.474 121.597 120.570 -0.744 0.000 2.151 329 I HA -0.258 3.912 4.170 0.001 0.000 0.243 329 I C 0.786 176.397 176.117 -0.844 0.000 1.080 329 I CA 1.675 62.420 61.300 -0.926 0.000 1.339 329 I CB -0.264 36.675 38.000 -1.768 0.000 1.039 329 I HN 0.979 nan 8.210 nan 0.000 0.409 330 N N -2.225 115.852 118.700 -1.040 0.000 3.039 330 N HA 0.478 5.219 4.740 0.001 0.000 0.257 330 N C 0.336 174.989 175.510 -1.427 0.000 1.497 330 N CA -0.144 52.106 53.050 -1.334 0.000 0.861 330 N CB 0.364 38.191 38.487 -1.100 0.000 1.479 330 N HN -0.071 nan 8.380 nan 0.000 0.547 331 A N 0.136 122.129 122.820 -1.379 0.000 1.873 331 A HA -0.011 4.310 4.320 0.001 0.000 0.218 331 A C 2.131 179.443 177.584 -0.455 0.000 1.193 331 A CA 2.899 54.520 52.037 -0.693 0.000 0.629 331 A CB -1.699 17.128 19.000 -0.289 0.000 0.826 331 A HN 0.967 nan 8.150 nan 0.000 0.447 332 A N -0.340 122.220 122.820 -0.435 0.000 1.940 332 A HA 0.100 4.421 4.320 0.001 0.000 0.219 332 A C 2.512 179.795 177.584 -0.501 0.000 1.176 332 A CA 2.349 54.168 52.037 -0.363 0.000 0.631 332 A CB -1.058 17.767 19.000 -0.291 0.000 0.814 332 A HN 1.161 nan 8.150 nan 0.000 0.446 333 A N -0.461 121.966 122.820 -0.656 0.000 1.877 333 A HA -0.063 4.258 4.320 0.001 0.000 0.216 333 A C 2.146 179.323 177.584 -0.680 0.000 1.186 333 A CA 1.810 53.331 52.037 -0.861 0.000 0.620 333 A CB -0.691 17.842 19.000 -0.778 0.000 0.822 333 A HN 0.731 nan 8.150 nan 0.000 0.443 334 L N 0.157 121.099 121.223 -0.468 0.000 2.012 334 L HA -0.177 4.163 4.340 0.001 0.000 0.210 334 L C 2.216 178.934 176.870 -0.253 0.000 1.073 334 L CA 2.528 57.197 54.840 -0.284 0.000 0.748 334 L CB -0.810 41.177 42.059 -0.120 0.000 0.891 334 L HN 0.546 nan 8.230 nan 0.000 0.431 335 E N -0.719 119.341 120.200 -0.234 0.000 2.058 335 E HA -0.254 4.096 4.350 0.001 0.000 0.194 335 E C 2.287 178.781 176.600 -0.177 0.000 0.997 335 E CA 1.451 57.752 56.400 -0.166 0.000 0.801 335 E CB -0.184 29.432 29.700 -0.141 0.000 0.746 335 E HN 0.482 nan 8.360 nan 0.000 0.450 336 R N 0.372 120.716 120.500 -0.260 0.000 2.120 336 R HA -0.122 4.219 4.340 0.001 0.000 0.234 336 R C 2.427 178.689 176.300 -0.064 0.000 1.123 336 R CA 1.088 57.093 56.100 -0.159 0.000 0.975 336 R CB -0.298 29.846 30.300 -0.260 0.000 0.866 336 R HN 0.091 nan 8.270 nan 0.000 0.446 337 V N 1.366 121.165 119.914 -0.192 0.000 2.295 337 V HA -0.236 3.885 4.120 0.001 0.000 0.246 337 V C 2.038 177.942 176.094 -0.317 0.000 1.049 337 V CA 1.840 63.995 62.300 -0.243 0.000 1.024 337 V CB -0.514 30.991 31.823 -0.529 0.000 0.648 337 V HN 0.358 nan 8.190 nan 0.000 0.447 338 E N 0.179 120.209 120.200 -0.283 0.000 2.049 338 E HA -0.315 4.036 4.350 0.001 0.000 0.198 338 E C 2.314 178.892 176.600 -0.037 0.000 1.007 338 E CA 1.766 58.105 56.400 -0.100 0.000 0.809 338 E CB -0.303 29.391 29.700 -0.011 0.000 0.749 338 E HN 0.678 nan 8.360 nan 0.000 0.450 339 Q N 0.810 120.588 119.800 -0.037 0.000 2.096 339 Q HA -0.192 4.149 4.340 0.001 0.000 0.204 339 Q C 2.128 178.132 176.000 0.007 0.000 0.982 339 Q CA 1.367 57.167 55.803 -0.006 0.000 0.850 339 Q CB -0.162 28.573 28.738 -0.004 0.000 0.901 339 Q HN 0.206 nan 8.270 nan 0.000 0.422 340 K N 0.044 120.446 120.400 0.004 0.000 2.057 340 K HA -0.082 4.239 4.320 0.001 0.000 0.206 340 K C 2.137 178.743 176.600 0.009 0.000 1.050 340 K CA 1.151 57.448 56.287 0.016 0.000 0.935 340 K CB -0.007 32.510 32.500 0.027 0.000 0.715 340 K HN 0.016 nan 8.250 nan 0.000 0.439 341 V N 1.523 121.435 119.914 -0.003 0.000 2.307 341 V HA -0.252 3.868 4.120 0.001 0.000 0.245 341 V C 2.380 178.500 176.094 0.042 0.000 1.045 341 V CA 2.030 64.349 62.300 0.031 0.000 1.024 341 V CB -0.695 31.176 31.823 0.080 0.000 0.651 341 V HN 0.342 nan 8.190 nan 0.000 0.449 342 A N -0.116 122.728 122.820 0.039 0.000 1.865 342 A HA -0.261 4.060 4.320 0.001 0.000 0.217 342 A C 2.390 179.992 177.584 0.031 0.000 1.191 342 A CA 2.067 54.126 52.037 0.037 0.000 0.623 342 A CB -0.588 18.431 19.000 0.032 0.000 0.826 342 A HN 0.468 nan 8.150 nan 0.000 0.444 343 R N -0.761 119.756 120.500 0.028 0.000 2.096 343 R HA -0.182 4.158 4.340 0.001 0.000 0.240 343 R C 2.538 178.858 176.300 0.032 0.000 1.139 343 R CA 1.413 57.531 56.100 0.030 0.000 0.952 343 R CB -0.575 29.744 30.300 0.032 0.000 0.854 343 R HN 0.542 nan 8.270 nan 0.000 0.436 344 A N 0.552 123.391 122.820 0.031 0.000 1.892 344 A HA -0.185 4.136 4.320 0.001 0.000 0.218 344 A C 2.369 179.973 177.584 0.034 0.000 1.188 344 A CA 1.979 54.034 52.037 0.031 0.000 0.631 344 A CB -0.785 18.232 19.000 0.028 0.000 0.822 344 A HN 0.167 nan 8.150 nan 0.000 0.447 345 V N 0.219 120.154 119.914 0.035 0.000 2.255 345 V HA -0.315 3.806 4.120 0.001 0.000 0.247 345 V C 2.380 178.493 176.094 0.031 0.000 1.051 345 V CA 2.396 64.717 62.300 0.035 0.000 1.018 345 V CB -1.091 30.754 31.823 0.035 0.000 0.641 345 V HN 0.679 nan 8.190 nan 0.000 0.445 346 E N -0.015 120.202 120.200 0.030 0.000 2.160 346 E HA -0.263 4.087 4.350 0.001 0.000 0.195 346 E C 2.056 178.673 176.600 0.028 0.000 0.991 346 E CA 1.455 57.871 56.400 0.027 0.000 0.810 346 E CB -0.203 29.513 29.700 0.026 0.000 0.742 346 E HN 0.697 nan 8.360 nan 0.000 0.466 347 E N -0.777 119.441 120.200 0.031 0.000 2.482 347 E HA -0.013 4.337 4.350 0.001 0.000 0.196 347 E C 1.058 177.678 176.600 0.033 0.000 1.047 347 E CA 0.378 56.798 56.400 0.033 0.000 0.869 347 E CB 0.417 30.139 29.700 0.038 0.000 0.836 347 E HN 0.407 nan 8.360 nan 0.000 0.520 348 G N 0.572 109.392 108.800 0.032 0.000 2.227 348 G HA2 -0.182 3.779 3.960 0.001 0.000 0.168 348 G HA3 -0.182 3.779 3.960 0.001 0.000 0.168 348 G C 0.305 175.227 174.900 0.035 0.000 1.006 348 G CA -0.257 44.862 45.100 0.032 0.000 0.684 348 G HN 0.385 nan 8.290 nan 0.000 0.489 349 A N 0.568 123.411 122.820 0.037 0.000 2.520 349 A HA 0.615 4.935 4.320 0.001 0.000 0.245 349 A C 0.677 178.288 177.584 0.045 0.000 1.072 349 A CA 0.474 52.536 52.037 0.041 0.000 0.761 349 A CB 0.168 19.191 19.000 0.039 0.000 1.004 349 A HN 0.539 nan 8.150 nan 0.000 0.499 350 R N 2.926 123.457 120.500 0.052 0.000 2.198 350 R HA 0.383 4.724 4.340 0.001 0.000 0.339 350 R C -1.054 175.283 176.300 0.061 0.000 1.020 350 R CA -0.406 55.727 56.100 0.055 0.000 0.864 350 R CB 0.535 30.872 30.300 0.062 0.000 1.105 350 R HN 0.517 nan 8.270 nan 0.000 0.463 351 V N 5.356 125.303 119.914 0.055 0.000 2.390 351 V HA 0.028 4.148 4.120 0.001 0.000 0.260 351 V C 1.161 177.300 176.094 0.076 0.000 1.043 351 V CA 0.463 62.798 62.300 0.059 0.000 1.047 351 V CB 0.645 32.492 31.823 0.041 0.000 1.066 351 V HN 0.948 nan 8.190 nan 0.000 0.481 352 A N 5.049 127.928 122.820 0.099 0.000 2.218 352 A HA 0.405 4.725 4.320 0.001 0.000 0.209 352 A C 0.268 177.991 177.584 0.231 0.000 1.168 352 A CA 0.457 52.565 52.037 0.119 0.000 0.804 352 A CB 0.074 19.125 19.000 0.085 0.000 0.834 352 A HN 0.708 nan 8.150 nan 0.000 0.482 353 F N -2.800 117.149 119.950 -0.000 0.000 2.686 353 F HA 0.437 4.964 4.527 0.001 0.000 0.315 353 F C 0.515 176.314 175.800 -0.003 0.000 1.088 353 F CA 0.130 58.127 58.000 -0.006 0.000 1.034 353 F CB 0.106 39.098 39.000 -0.014 0.000 1.280 353 F HN 0.815 nan 8.300 nan 0.000 0.463 354 G N 3.102 111.426 108.800 -0.793 0.000 2.536 354 G HA2 0.280 4.240 3.960 0.001 0.000 0.280 354 G HA3 0.280 4.240 3.960 0.001 0.000 0.280 354 G C 1.278 176.001 174.900 -0.295 0.000 1.152 354 G CA 1.369 46.090 45.100 -0.632 0.000 0.970 354 G HN 2.575 nan 8.290 nan 0.000 0.549 355 G N -1.299 107.383 108.800 -0.196 0.000 2.148 355 G HA2 0.078 4.039 3.960 0.001 0.000 0.254 355 G HA3 0.078 4.039 3.960 0.001 0.000 0.254 355 G C 0.207 175.076 174.900 -0.051 0.000 0.981 355 G CA 1.760 46.843 45.100 -0.029 0.000 0.670 355 G HN 1.793 nan 8.290 nan 0.000 0.528 356 K N 0.329 120.580 120.400 -0.250 0.000 2.613 356 K HA 0.734 5.055 4.320 0.001 0.000 0.248 356 K C 0.294 176.686 176.600 -0.347 0.000 0.959 356 K CA 0.221 56.394 56.287 -0.189 0.000 0.855 356 K CB 1.097 33.513 32.500 -0.141 0.000 1.143 356 K HN 0.930 nan 8.250 nan 0.000 0.437 357 A N 3.213 125.959 122.820 -0.122 0.000 2.511 357 A HA 0.306 4.627 4.320 0.001 0.000 0.242 357 A C -0.217 177.313 177.584 -0.090 0.000 1.069 357 A CA -0.348 51.646 52.037 -0.072 0.000 0.763 357 A CB 0.229 19.376 19.000 0.244 0.000 1.001 357 A HN 0.524 nan 8.150 nan 0.000 0.498 358 V N 2.279 122.127 119.914 -0.110 0.000 2.686 358 V HA 0.207 4.327 4.120 0.001 0.000 0.295 358 V C 0.570 176.669 176.094 0.009 0.000 1.055 358 V CA -0.022 62.249 62.300 -0.049 0.000 1.050 358 V CB 1.185 32.981 31.823 -0.046 0.000 0.984 358 V HN 0.966 nan 8.190 nan 0.000 0.482 359 E N 2.200 122.405 120.200 0.008 0.000 2.155 359 E HA 0.628 4.979 4.350 0.001 0.000 0.264 359 E C 0.040 176.645 176.600 0.008 0.000 0.886 359 E CA 0.220 56.628 56.400 0.013 0.000 0.752 359 E CB 1.312 31.015 29.700 0.006 0.000 1.133 359 E HN 0.942 nan 8.360 nan 0.000 0.414 360 G N 3.161 111.965 108.800 0.007 0.000 2.368 360 G HA2 -0.003 3.958 3.960 0.001 0.000 0.269 360 G HA3 -0.003 3.958 3.960 0.001 0.000 0.269 360 G C -1.250 173.636 174.900 -0.023 0.000 1.291 360 G CA -0.994 44.102 45.100 -0.006 0.000 0.903 360 G HN 0.302 nan 8.290 nan 0.000 0.483 361 K N 0.888 121.273 120.400 -0.025 0.000 2.436 361 K HA 0.508 4.828 4.320 0.001 0.000 0.275 361 K C 0.944 177.507 176.600 -0.061 0.000 0.999 361 K CA 1.106 57.357 56.287 -0.060 0.000 0.980 361 K CB 0.322 32.803 32.500 -0.031 0.000 0.919 361 K HN 2.179 nan 8.250 nan 0.000 0.484 362 G N 1.910 110.510 108.800 -0.333 0.000 2.782 362 G HA2 -0.268 3.692 3.960 0.001 0.000 0.228 362 G HA3 -0.268 3.692 3.960 0.001 0.000 0.228 362 G C -1.178 173.203 174.900 -0.864 0.000 1.372 362 G CA -0.553 44.173 45.100 -0.624 0.000 0.862 362 G HN 0.512 nan 8.290 nan 0.000 0.547 363 Y N -0.197 119.890 120.300 -0.355 0.000 2.837 363 Y HA 0.580 5.130 4.550 0.001 0.000 0.356 363 Y C -0.030 175.613 175.900 -0.429 0.000 1.035 363 Y CA -0.841 57.074 58.100 -0.308 0.000 1.165 363 Y CB 0.549 38.822 38.460 -0.312 0.000 1.147 363 Y HN 0.499 nan 8.280 nan 0.000 0.628 364 Y N 0.833 121.093 120.300 -0.067 0.000 2.342 364 Y HA 0.439 4.990 4.550 0.001 0.000 0.334 364 Y C -0.652 175.105 175.900 -0.238 0.000 1.067 364 Y CA -1.351 56.629 58.100 -0.201 0.000 1.128 364 Y CB 1.127 39.400 38.460 -0.312 0.000 1.200 364 Y HN 0.424 nan 8.280 nan 0.000 0.464 365 Y N 5.451 125.572 120.300 -0.298 0.000 2.346 365 Y HA 0.438 4.989 4.550 0.001 0.000 0.332 365 Y C -2.607 173.050 175.900 -0.404 0.000 0.985 365 Y CA -3.003 54.923 58.100 -0.290 0.000 1.112 365 Y CB 1.806 40.172 38.460 -0.158 0.000 1.170 365 Y HN 0.403 nan 8.280 nan 0.000 0.447 366 P HA 0.131 nan 4.420 nan 0.000 0.269 366 P C -2.806 174.354 177.300 -0.234 0.000 1.209 366 P CA -1.355 61.449 63.100 -0.494 0.000 0.776 366 P CB 0.579 32.006 31.700 -0.454 0.000 0.876 367 P HA 0.060 nan 4.420 nan 0.000 0.260 367 P C -0.411 176.902 177.300 0.021 0.000 1.185 367 P CA 0.958 64.121 63.100 0.105 0.000 0.763 367 P CB -0.055 31.795 31.700 0.249 0.000 0.776 368 T N 4.654 119.264 114.554 0.093 0.000 2.807 368 T HA 0.471 4.822 4.350 0.001 0.000 0.279 368 T C -0.597 174.181 174.700 0.130 0.000 0.993 368 T CA -0.394 61.752 62.100 0.077 0.000 0.970 368 T CB 0.669 69.628 68.868 0.152 0.000 0.950 368 T HN 0.095 nan 8.240 nan 0.000 0.441 369 L N 5.018 126.333 121.223 0.153 0.000 2.298 369 L HA 0.607 4.948 4.340 0.001 0.000 0.284 369 L C -1.373 175.555 176.870 0.097 0.000 1.013 369 L CA -0.547 54.370 54.840 0.128 0.000 0.824 369 L CB 0.549 42.698 42.059 0.149 0.000 1.221 369 L HN 0.586 nan 8.230 nan 0.000 0.418 370 L N 6.369 127.635 121.223 0.071 0.000 2.313 370 L HA 0.541 4.882 4.340 0.001 0.000 0.283 370 L C -0.400 176.510 176.870 0.066 0.000 1.013 370 L CA -0.481 54.397 54.840 0.064 0.000 0.816 370 L CB 1.447 43.536 42.059 0.050 0.000 1.236 370 L HN 0.564 nan 8.230 nan 0.000 0.419 371 L N 1.571 122.843 121.223 0.081 0.000 2.299 371 L HA 0.495 4.836 4.340 0.001 0.000 0.268 371 L C 0.178 177.110 176.870 0.104 0.000 1.012 371 L CA -0.892 54.017 54.840 0.116 0.000 0.816 371 L CB 0.937 43.081 42.059 0.142 0.000 1.355 371 L HN 0.599 nan 8.230 nan 0.000 0.457 372 D N 0.092 120.568 120.400 0.126 0.000 2.792 372 D HA -0.139 4.501 4.640 0.001 0.000 0.231 372 D C -0.367 175.968 176.300 0.059 0.000 1.160 372 D CA 0.483 54.528 54.000 0.076 0.000 0.697 372 D CB -1.206 39.628 40.800 0.057 0.000 1.070 372 D HN 0.081 nan 8.370 nan 0.000 0.426 373 V N 0.219 120.171 119.914 0.062 0.000 2.732 373 V HA 0.246 4.366 4.120 0.001 0.000 0.297 373 V C 1.146 177.268 176.094 0.047 0.000 1.060 373 V CA -0.087 62.238 62.300 0.041 0.000 1.038 373 V CB 1.605 33.438 31.823 0.017 0.000 1.003 373 V HN 0.003 nan 8.190 nan 0.000 0.481 374 R N 2.074 122.602 120.500 0.046 0.000 2.514 374 R HA 0.304 4.645 4.340 0.001 0.000 0.301 374 R C 0.685 177.030 176.300 0.074 0.000 0.962 374 R CA -0.774 55.365 56.100 0.066 0.000 0.882 374 R CB 1.378 31.716 30.300 0.064 0.000 1.143 374 R HN 0.650 nan 8.270 nan 0.000 0.452 375 Q N 2.057 121.926 119.800 0.115 0.000 2.242 375 Q HA -0.257 4.084 4.340 0.001 0.000 0.211 375 Q C 0.716 176.810 176.000 0.157 0.000 0.992 375 Q CA 2.098 57.987 55.803 0.143 0.000 0.889 375 Q CB 0.112 28.962 28.738 0.188 0.000 0.913 375 Q HN 0.683 nan 8.270 nan 0.000 0.422 376 E N -0.464 119.825 120.200 0.148 0.000 2.047 376 E HA -0.107 4.244 4.350 0.001 0.000 0.191 376 E C 0.316 177.020 176.600 0.172 0.000 0.987 376 E CA 0.315 56.818 56.400 0.171 0.000 0.799 376 E CB -0.274 29.492 29.700 0.110 0.000 0.752 376 E HN 0.381 nan 8.360 nan 0.000 0.449 377 M N 2.000 121.660 119.600 0.100 0.000 2.226 377 M HA -0.120 4.361 4.480 0.001 0.000 0.352 377 M C 1.513 177.868 176.300 0.092 0.000 1.226 377 M CA 0.236 55.582 55.300 0.076 0.000 0.943 377 M CB 0.482 33.105 32.600 0.038 0.000 1.805 377 M HN 0.131 nan 8.290 nan 0.000 0.465 378 S N 3.020 118.784 115.700 0.107 0.000 2.440 378 S HA -0.154 4.316 4.470 0.001 0.000 0.238 378 S C 1.481 176.117 174.600 0.060 0.000 1.010 378 S CA 1.183 59.460 58.200 0.128 0.000 0.972 378 S CB -0.593 62.666 63.200 0.099 0.000 0.774 378 S HN 0.846 nan 8.310 nan 0.000 0.501 379 I N 0.320 120.896 120.570 0.011 0.000 2.756 379 I HA -0.053 4.118 4.170 0.001 0.000 0.262 379 I C 1.521 177.588 176.117 -0.083 0.000 1.225 379 I CA 1.053 62.339 61.300 -0.023 0.000 1.472 379 I CB -0.093 37.897 38.000 -0.017 0.000 1.094 379 I HN 0.275 nan 8.210 nan 0.000 0.454 380 M N -0.665 118.831 119.600 -0.173 0.000 2.556 380 M HA 0.052 4.533 4.480 0.001 0.000 0.245 380 M C 0.606 176.621 176.300 -0.475 0.000 1.128 380 M CA 0.986 56.086 55.300 -0.334 0.000 1.069 380 M CB -0.698 31.640 32.600 -0.437 0.000 1.469 380 M HN 0.258 nan 8.290 nan 0.000 0.494 381 H N -0.889 118.221 119.070 0.067 0.000 2.575 381 H HA 0.541 5.098 4.556 0.001 0.000 0.256 381 H C -0.663 174.710 175.328 0.076 0.000 1.162 381 H CA -0.034 56.070 56.048 0.093 0.000 0.969 381 H CB 0.683 30.499 29.762 0.090 0.000 1.796 381 H HN 0.190 nan 8.280 nan 0.000 0.607 382 E N 1.259 121.500 120.200 0.068 0.000 2.294 382 E HA 0.160 4.511 4.350 0.001 0.000 0.272 382 E C -0.764 175.738 176.600 -0.164 0.000 0.896 382 E CA -0.409 55.988 56.400 -0.005 0.000 0.802 382 E CB 1.749 31.462 29.700 0.021 0.000 1.267 382 E HN 0.183 nan 8.360 nan 0.000 0.406 383 E N 1.892 121.918 120.200 -0.289 0.000 2.757 383 E HA -0.041 4.309 4.350 0.001 0.000 0.238 383 E C 0.139 176.234 176.600 -0.842 0.000 1.057 383 E CA 0.561 56.656 56.400 -0.507 0.000 0.952 383 E CB 0.208 29.579 29.700 -0.548 0.000 0.934 383 E HN 0.407 nan 8.360 nan 0.000 0.518 384 T N 3.682 117.913 114.554 -0.538 0.000 3.219 384 T HA 0.001 4.351 4.350 0.001 0.000 0.249 384 T C 0.621 175.221 174.700 -0.165 0.000 1.099 384 T CA -0.120 61.767 62.100 -0.356 0.000 0.988 384 T CB -0.439 68.356 68.868 -0.121 0.000 0.999 384 T HN 0.494 nan 8.240 nan 0.000 0.550 385 F N 1.001 120.940 119.950 -0.019 0.000 1.957 385 F HA -0.355 4.173 4.527 0.001 0.000 0.234 385 F C 1.743 177.549 175.800 0.009 0.000 1.259 385 F CA 1.185 59.199 58.000 0.024 0.000 2.014 385 F CB -2.192 36.804 39.000 -0.007 0.000 0.566 385 F HN 0.368 nan 8.300 nan 0.000 0.248 386 G N 1.614 110.551 108.800 0.228 0.000 2.680 386 G HA2 0.291 4.252 3.960 0.001 0.000 0.274 386 G HA3 0.291 4.252 3.960 0.001 0.000 0.274 386 G C -2.192 172.764 174.900 0.095 0.000 1.292 386 G CA 0.060 45.216 45.100 0.092 0.000 1.007 386 G HN 0.481 nan 8.290 nan 0.000 0.578 387 P HA 0.191 nan 4.420 nan 0.000 0.220 387 P C -0.608 176.773 177.300 0.135 0.000 1.806 387 P CA -0.088 63.089 63.100 0.128 0.000 0.976 387 P CB 0.105 31.890 31.700 0.141 0.000 1.952 388 V N 3.056 123.024 119.914 0.091 0.000 2.370 388 V HA 0.278 4.398 4.120 0.001 0.000 0.283 388 V C 0.549 176.670 176.094 0.046 0.000 1.023 388 V CA -0.534 61.815 62.300 0.081 0.000 0.857 388 V CB 2.009 33.861 31.823 0.048 0.000 0.985 388 V HN 0.227 nan 8.190 nan 0.000 0.443 389 L N 8.172 129.427 121.223 0.054 0.000 2.313 389 L HA 0.431 4.772 4.340 0.001 0.000 0.273 389 L C -2.291 174.590 176.870 0.019 0.000 1.028 389 L CA -1.517 53.342 54.840 0.031 0.000 0.871 389 L CB 2.032 44.115 42.059 0.041 0.000 1.242 389 L HN 0.428 nan 8.230 nan 0.000 0.434 390 P HA 0.183 nan 4.420 nan 0.000 0.286 390 P C -0.732 176.535 177.300 -0.055 0.000 1.269 390 P CA -0.242 62.840 63.100 -0.029 0.000 0.787 390 P CB 2.108 33.773 31.700 -0.059 0.000 0.920 391 V N 4.595 124.504 119.914 -0.009 0.000 2.459 391 V HA 0.354 4.475 4.120 0.001 0.000 0.295 391 V C 0.260 176.386 176.094 0.053 0.000 1.029 391 V CA -0.686 61.623 62.300 0.015 0.000 0.874 391 V CB 2.131 34.005 31.823 0.085 0.000 0.985 391 V HN 0.293 nan 8.190 nan 0.000 0.438 392 V N 3.720 123.641 119.914 0.012 0.000 2.531 392 V HA 0.759 4.879 4.120 0.001 0.000 0.301 392 V C 0.384 176.651 176.094 0.288 0.000 1.034 392 V CA -0.595 61.770 62.300 0.109 0.000 0.865 392 V CB 1.790 33.623 31.823 0.017 0.000 0.995 392 V HN 1.015 nan 8.190 nan 0.000 0.424 393 A N 5.138 128.105 122.820 0.246 0.000 2.322 393 A HA 0.961 5.282 4.320 0.001 0.000 0.269 393 A C -0.681 177.048 177.584 0.242 0.000 1.094 393 A CA -0.155 51.984 52.037 0.171 0.000 0.807 393 A CB 0.540 19.416 19.000 -0.208 0.000 1.047 393 A HN 1.224 nan 8.150 nan 0.000 0.487 394 F N -1.323 118.682 119.950 0.091 0.000 2.662 394 F HA 0.591 5.119 4.527 0.001 0.000 0.312 394 F C -0.245 175.577 175.800 0.037 0.000 1.113 394 F CA -1.038 57.002 58.000 0.067 0.000 0.951 394 F CB 0.970 40.023 39.000 0.089 0.000 1.344 394 F HN 0.426 nan 8.300 nan 0.000 0.462 395 D N 0.074 120.614 120.400 0.234 0.000 2.414 395 D HA 0.065 4.706 4.640 0.001 0.000 0.237 395 D C 0.593 177.028 176.300 0.224 0.000 0.975 395 D CA 1.766 55.832 54.000 0.110 0.000 0.917 395 D CB 0.411 41.258 40.800 0.079 0.000 1.061 395 D HN 0.684 nan 8.370 nan 0.000 0.480 396 T N -1.290 113.457 114.554 0.322 0.000 2.932 396 T HA 0.308 4.659 4.350 0.001 0.000 0.289 396 T C 1.050 175.882 174.700 0.221 0.000 1.039 396 T CA -0.788 61.460 62.100 0.248 0.000 1.024 396 T CB 2.369 71.306 68.868 0.115 0.000 1.090 396 T HN -0.160 nan 8.240 nan 0.000 0.496 397 L N 1.070 122.375 121.223 0.136 0.000 2.043 397 L HA -0.062 4.279 4.340 0.001 0.000 0.212 397 L C 2.327 179.124 176.870 -0.122 0.000 1.075 397 L CA 2.069 56.902 54.840 -0.012 0.000 0.752 397 L CB -1.063 41.002 42.059 0.011 0.000 0.891 397 L HN 0.834 nan 8.230 nan 0.000 0.432 398 E N -0.094 120.074 120.200 -0.054 0.000 2.118 398 E HA -0.208 4.143 4.350 0.001 0.000 0.195 398 E C 1.835 178.373 176.600 -0.105 0.000 0.992 398 E CA 1.492 57.852 56.400 -0.066 0.000 0.804 398 E CB -0.345 29.341 29.700 -0.023 0.000 0.741 398 E HN 0.603 nan 8.360 nan 0.000 0.458 399 D N -0.030 120.314 120.400 -0.092 0.000 2.097 399 D HA -0.110 4.531 4.640 0.001 0.000 0.195 399 D C 1.822 177.947 176.300 -0.292 0.000 0.989 399 D CA 1.619 55.558 54.000 -0.102 0.000 0.827 399 D CB -0.406 40.416 40.800 0.036 0.000 0.966 399 D HN 0.227 nan 8.370 nan 0.000 0.456 400 A N 0.559 123.024 122.820 -0.592 0.000 1.877 400 A HA -0.144 4.176 4.320 0.001 0.000 0.216 400 A C 2.307 179.527 177.584 -0.606 0.000 1.186 400 A CA 1.034 52.528 52.037 -0.904 0.000 0.620 400 A CB -0.830 17.271 19.000 -1.498 0.000 0.822 400 A HN 0.193 nan 8.150 nan 0.000 0.443 401 I N -0.647 119.686 120.570 -0.394 0.000 2.226 401 I HA -0.229 3.941 4.170 0.001 0.000 0.245 401 I C 2.848 178.854 176.117 -0.184 0.000 1.100 401 I CA 1.585 62.737 61.300 -0.246 0.000 1.374 401 I CB -0.295 37.614 38.000 -0.153 0.000 1.057 401 I HN 0.431 nan 8.210 nan 0.000 0.413 402 S N 0.642 116.240 115.700 -0.169 0.000 2.368 402 S HA -0.170 4.301 4.470 0.001 0.000 0.225 402 S C 2.112 176.645 174.600 -0.110 0.000 1.030 402 S CA 1.362 59.499 58.200 -0.104 0.000 0.999 402 S CB -0.106 63.050 63.200 -0.075 0.000 0.844 402 S HN 0.290 nan 8.310 nan 0.000 0.459 403 M N 0.650 120.121 119.600 -0.216 0.000 2.200 403 M HA 0.031 4.512 4.480 0.001 0.000 0.265 403 M C 2.490 178.653 176.300 -0.229 0.000 1.066 403 M CA 1.228 56.401 55.300 -0.211 0.000 1.127 403 M CB -0.505 31.908 32.600 -0.313 0.000 1.379 403 M HN 0.481 nan 8.290 nan 0.000 0.420 404 A N 0.953 123.536 122.820 -0.395 0.000 1.902 404 A HA -0.160 4.161 4.320 0.001 0.000 0.217 404 A C 1.813 179.522 177.584 0.208 0.000 1.181 404 A CA 1.739 53.687 52.037 -0.149 0.000 0.623 404 A CB -0.744 18.107 19.000 -0.249 0.000 0.818 404 A HN 0.450 nan 8.150 nan 0.000 0.443 405 N N 0.361 119.141 118.700 0.134 0.000 2.381 405 N HA -0.099 4.642 4.740 0.001 0.000 0.182 405 N C 0.148 175.694 175.510 0.061 0.000 1.025 405 N CA 1.031 54.148 53.050 0.111 0.000 0.888 405 N CB -0.422 38.087 38.487 0.037 0.000 0.965 405 N HN 0.543 nan 8.380 nan 0.000 0.438 406 D N 0.581 121.031 120.400 0.083 0.000 2.597 406 D HA 0.100 4.741 4.640 0.001 0.000 0.228 406 D C -0.835 175.583 176.300 0.198 0.000 1.120 406 D CA 0.047 54.113 54.000 0.110 0.000 1.083 406 D CB -0.227 40.648 40.800 0.124 0.000 1.116 406 D HN -0.074 nan 8.370 nan 0.000 0.487 407 S N 1.375 117.157 115.700 0.136 0.000 2.537 407 S HA 0.174 4.644 4.470 0.001 0.000 0.271 407 S C 0.081 174.704 174.600 0.037 0.000 1.148 407 S CA -0.851 57.462 58.200 0.188 0.000 0.868 407 S CB 1.302 64.673 63.200 0.285 0.000 1.115 407 S HN 0.100 nan 8.310 nan 0.000 0.461 408 D N 1.402 121.789 120.400 -0.023 0.000 2.371 408 D HA 0.107 4.747 4.640 0.001 0.000 0.221 408 D C -0.387 175.617 176.300 -0.494 0.000 0.986 408 D CA 1.149 54.975 54.000 -0.291 0.000 0.899 408 D CB 0.000 40.543 40.800 -0.429 0.000 0.902 408 D HN 0.508 nan 8.370 nan 0.000 0.530 409 Y N -0.811 119.491 120.300 0.004 0.000 2.446 409 Y HA 0.548 5.098 4.550 0.001 0.000 0.338 409 Y C 1.231 177.059 175.900 -0.119 0.000 1.055 409 Y CA -0.907 57.189 58.100 -0.007 0.000 1.101 409 Y CB 2.380 40.870 38.460 0.050 0.000 1.221 409 Y HN -0.221 nan 8.280 nan 0.000 0.460 410 G N 1.885 110.677 108.800 -0.012 0.000 4.831 410 G HA2 0.237 4.197 3.960 0.001 0.000 0.231 410 G HA3 0.237 4.197 3.960 0.001 0.000 0.231 410 G C -0.178 174.688 174.900 -0.055 0.000 1.006 410 G CA -0.126 44.738 45.100 -0.393 0.000 0.792 410 G HN 0.592 nan 8.290 nan 0.000 0.546 411 L N 0.128 121.458 121.223 0.178 0.000 2.116 411 L HA 0.515 4.855 4.340 0.001 0.000 0.200 411 L C 0.796 177.763 176.870 0.163 0.000 1.084 411 L CA 1.689 56.588 54.840 0.099 0.000 0.766 411 L CB 0.174 42.258 42.059 0.042 0.000 0.930 411 L HN 0.086 nan 8.230 nan 0.000 0.453 412 T N -0.030 114.675 114.554 0.251 0.000 2.893 412 T HA 0.668 5.018 4.350 0.001 0.000 0.291 412 T C -0.703 173.945 174.700 -0.087 0.000 1.028 412 T CA -0.205 61.994 62.100 0.164 0.000 0.995 412 T CB 1.701 70.696 68.868 0.211 0.000 1.051 412 T HN 0.448 nan 8.240 nan 0.000 0.470 413 S N 0.691 116.277 115.700 -0.189 0.000 2.638 413 S HA 0.926 5.397 4.470 0.001 0.000 0.274 413 S C -0.995 173.530 174.600 -0.125 0.000 1.157 413 S CA -0.803 57.138 58.200 -0.432 0.000 0.826 413 S CB 1.928 64.550 63.200 -0.964 0.000 1.139 413 S HN 1.149 nan 8.310 nan 0.000 0.474 414 S N 0.426 116.038 115.700 -0.146 0.000 2.547 414 S HA 0.787 5.257 4.470 0.001 0.000 0.270 414 S C -1.269 173.238 174.600 -0.155 0.000 1.150 414 S CA -0.824 57.316 58.200 -0.099 0.000 0.850 414 S CB 1.218 64.415 63.200 -0.006 0.000 1.118 414 S HN 1.369 nan 8.310 nan 0.000 0.461 415 I N 1.309 121.688 120.570 -0.318 0.000 2.827 415 I HA 0.633 4.804 4.170 0.001 0.000 0.298 415 I C -2.231 173.579 176.117 -0.511 0.000 1.235 415 I CA -1.023 60.127 61.300 -0.249 0.000 1.021 415 I CB 1.880 39.799 38.000 -0.135 0.000 1.259 415 I HN 0.880 nan 8.210 nan 0.000 0.427 416 Y N 5.010 125.315 120.300 0.008 0.000 2.338 416 Y HA 0.686 5.237 4.550 0.001 0.000 0.328 416 Y C 0.163 176.074 175.900 0.018 0.000 0.965 416 Y CA -0.546 57.564 58.100 0.016 0.000 1.208 416 Y CB 1.925 40.392 38.460 0.012 0.000 1.132 416 Y HN 0.501 nan 8.280 nan 0.000 0.469 417 T N 1.327 115.945 114.554 0.106 0.000 2.749 417 T HA 0.298 4.648 4.350 0.001 0.000 0.310 417 T C -0.533 174.200 174.700 0.055 0.000 1.496 417 T CA -0.507 61.640 62.100 0.079 0.000 1.006 417 T CB 1.563 70.464 68.868 0.055 0.000 1.457 417 T HN 0.689 nan 8.240 nan 0.000 0.497 418 Q N 0.663 120.492 119.800 0.047 0.000 2.164 418 Q HA 0.283 4.623 4.340 0.001 0.000 0.226 418 Q C 0.075 176.091 176.000 0.027 0.000 0.813 418 Q CA -0.380 55.445 55.803 0.037 0.000 0.978 418 Q CB 0.607 29.369 28.738 0.040 0.000 1.149 418 Q HN 0.448 nan 8.270 nan 0.000 0.489 419 N N 1.616 120.331 118.700 0.026 0.000 2.422 419 N HA 0.048 4.788 4.740 0.001 0.000 0.266 419 N C 0.669 176.187 175.510 0.014 0.000 1.007 419 N CA -0.049 53.013 53.050 0.021 0.000 0.941 419 N CB 1.562 40.064 38.487 0.024 0.000 1.115 419 N HN 0.119 nan 8.380 nan 0.000 0.492 420 L N 5.341 126.571 121.223 0.011 0.000 2.021 420 L HA -0.196 4.144 4.340 0.001 0.000 0.215 420 L C 1.863 178.736 176.870 0.005 0.000 1.074 420 L CA 1.829 56.673 54.840 0.007 0.000 0.760 420 L CB -0.870 41.194 42.059 0.008 0.000 0.889 420 L HN 0.660 nan 8.230 nan 0.000 0.433 421 N N -0.581 118.123 118.700 0.007 0.000 2.120 421 N HA -0.155 4.585 4.740 0.001 0.000 0.188 421 N C 1.820 177.332 175.510 0.004 0.000 1.024 421 N CA 1.757 54.810 53.050 0.006 0.000 0.852 421 N CB -0.049 38.444 38.487 0.009 0.000 1.003 421 N HN 0.324 nan 8.380 nan 0.000 0.424 422 V N 1.659 121.577 119.914 0.008 0.000 2.295 422 V HA -0.225 3.896 4.120 0.001 0.000 0.246 422 V C 2.531 178.620 176.094 -0.008 0.000 1.049 422 V CA 1.877 64.181 62.300 0.006 0.000 1.024 422 V CB -0.988 30.847 31.823 0.020 0.000 0.648 422 V HN 0.325 nan 8.190 nan 0.000 0.447 423 A N -0.207 122.607 122.820 -0.010 0.000 1.865 423 A HA -0.237 4.084 4.320 0.001 0.000 0.217 423 A C 2.194 179.762 177.584 -0.026 0.000 1.191 423 A CA 2.242 54.265 52.037 -0.024 0.000 0.623 423 A CB -0.533 18.455 19.000 -0.021 0.000 0.826 423 A HN 0.413 nan 8.150 nan 0.000 0.444 424 M N -0.511 119.079 119.600 -0.015 0.000 2.213 424 M HA -0.087 4.393 4.480 0.001 0.000 0.263 424 M C 1.958 178.250 176.300 -0.014 0.000 1.062 424 M CA 1.652 56.945 55.300 -0.012 0.000 1.105 424 M CB -1.228 31.370 32.600 -0.004 0.000 1.385 424 M HN 0.508 nan 8.290 nan 0.000 0.417 425 K N 0.044 120.435 120.400 -0.014 0.000 2.062 425 K HA -0.002 4.319 4.320 0.001 0.000 0.205 425 K C 2.040 178.623 176.600 -0.030 0.000 1.051 425 K CA 1.220 57.497 56.287 -0.016 0.000 0.941 425 K CB 0.022 32.515 32.500 -0.012 0.000 0.719 425 K HN 0.234 nan 8.250 nan 0.000 0.440 426 A N 1.229 124.024 122.820 -0.042 0.000 1.877 426 A HA -0.142 4.179 4.320 0.001 0.000 0.216 426 A C 2.053 179.599 177.584 -0.064 0.000 1.186 426 A CA 1.366 53.364 52.037 -0.065 0.000 0.620 426 A CB -0.597 18.356 19.000 -0.078 0.000 0.822 426 A HN 0.291 nan 8.150 nan 0.000 0.443 427 I N -0.563 119.974 120.570 -0.055 0.000 2.163 427 I HA -0.293 3.878 4.170 0.001 0.000 0.243 427 I C 2.590 178.690 176.117 -0.029 0.000 1.085 427 I CA 2.027 63.297 61.300 -0.050 0.000 1.347 427 I CB -0.246 37.732 38.000 -0.038 0.000 1.044 427 I HN 0.373 nan 8.210 nan 0.000 0.408 428 K N 0.844 121.236 120.400 -0.014 0.000 2.097 428 K HA -0.118 4.203 4.320 0.001 0.000 0.205 428 K C 2.022 178.626 176.600 0.007 0.000 1.050 428 K CA 1.464 57.754 56.287 0.006 0.000 0.938 428 K CB -0.192 32.313 32.500 0.008 0.000 0.718 428 K HN 0.386 nan 8.250 nan 0.000 0.442 429 G N 0.768 109.561 108.800 -0.012 0.000 2.453 429 G HA2 0.031 3.991 3.960 0.001 0.000 0.215 429 G HA3 0.031 3.991 3.960 0.001 0.000 0.215 429 G C 0.453 175.347 174.900 -0.010 0.000 1.147 429 G CA -0.187 44.906 45.100 -0.011 0.000 0.802 429 G HN 0.115 nan 8.290 nan 0.000 0.535 430 L N 1.344 122.553 121.223 -0.025 0.000 2.418 430 L HA 0.185 4.526 4.340 0.001 0.000 0.274 430 L C 0.135 176.986 176.870 -0.033 0.000 1.135 430 L CA -0.027 54.826 54.840 0.021 0.000 0.870 430 L CB 0.967 43.001 42.059 -0.041 0.000 1.154 430 L HN 0.046 nan 8.230 nan 0.000 0.462 431 K N 5.057 125.423 120.400 -0.057 0.000 2.363 431 K HA 0.374 4.694 4.320 0.001 0.000 0.240 431 K C -1.197 174.652 176.600 -1.252 0.000 1.169 431 K CA -0.063 55.884 56.287 -0.567 0.000 1.131 431 K CB 0.054 32.464 32.500 -0.150 0.000 1.771 431 K HN 0.224 nan 8.250 nan 0.000 0.380 432 F N -1.614 117.553 119.950 -1.306 0.000 2.613 432 F HA 0.296 4.824 4.527 0.001 0.000 0.314 432 F C 1.459 176.532 175.800 -1.212 0.000 1.075 432 F CA -1.158 56.180 58.000 -1.103 0.000 0.945 432 F CB 1.468 40.181 39.000 -0.478 0.000 1.310 432 F HN 0.233 nan 8.300 nan 0.000 0.467 433 G N -0.054 108.396 108.800 -0.583 0.000 2.509 433 G HA2 0.065 4.025 3.960 0.001 0.000 0.218 433 G HA3 0.065 4.025 3.960 0.001 0.000 0.218 433 G C -0.101 174.766 174.900 -0.054 0.000 1.124 433 G CA 0.451 45.480 45.100 -0.118 0.000 0.776 433 G HN 0.568 nan 8.290 nan 0.000 0.547 434 E N -1.022 119.135 120.200 -0.072 0.000 2.343 434 E HA 0.461 4.812 4.350 0.001 0.000 0.278 434 E C -1.563 174.943 176.600 -0.157 0.000 0.910 434 E CA -0.534 55.804 56.400 -0.103 0.000 0.757 434 E CB 2.185 31.870 29.700 -0.026 0.000 1.218 434 E HN -0.052 nan 8.360 nan 0.000 0.435 435 T N 2.008 116.397 114.554 -0.275 0.000 2.965 435 T HA 0.315 4.666 4.350 0.001 0.000 0.306 435 T C -1.358 173.148 174.700 -0.324 0.000 0.991 435 T CA -0.598 61.358 62.100 -0.239 0.000 1.001 435 T CB 0.144 68.902 68.868 -0.183 0.000 0.984 435 T HN 0.248 nan 8.240 nan 0.000 0.446 436 Y N 2.828 123.054 120.300 -0.124 0.000 2.326 436 Y HA 0.545 5.096 4.550 0.001 0.000 0.337 436 Y C 0.535 176.301 175.900 -0.223 0.000 1.023 436 Y CA -1.064 56.961 58.100 -0.125 0.000 1.143 436 Y CB 0.664 39.073 38.460 -0.086 0.000 1.183 436 Y HN 0.491 nan 8.280 nan 0.000 0.485 437 I N 4.316 124.842 120.570 -0.073 0.000 2.355 437 I HA 0.188 4.359 4.170 0.001 0.000 0.288 437 I C -0.388 175.637 176.117 -0.153 0.000 0.999 437 I CA -0.767 60.431 61.300 -0.170 0.000 1.163 437 I CB 0.923 38.857 38.000 -0.110 0.000 1.316 437 I HN 0.708 nan 8.210 nan 0.000 0.454 438 N N 5.495 124.003 118.700 -0.321 0.000 2.725 438 N HA -0.226 4.514 4.740 0.001 0.000 0.251 438 N C -0.493 175.066 175.510 0.081 0.000 1.031 438 N CA 0.928 53.933 53.050 -0.074 0.000 0.720 438 N CB -0.758 37.749 38.487 0.034 0.000 0.930 438 N HN 0.827 nan 8.380 nan 0.000 0.543 439 R N -2.043 118.511 120.500 0.091 0.000 2.741 439 R HA 0.379 4.719 4.340 0.001 0.000 0.276 439 R C -0.741 175.646 176.300 0.145 0.000 1.028 439 R CA -1.133 55.059 56.100 0.154 0.000 0.865 439 R CB 0.933 31.306 30.300 0.121 0.000 1.268 439 R HN -0.050 nan 8.270 nan 0.000 0.475 440 E N 1.475 121.724 120.200 0.083 0.000 2.374 440 E HA 0.147 4.498 4.350 0.001 0.000 0.260 440 E C -0.928 175.502 176.600 -0.285 0.000 1.101 440 E CA -0.567 55.824 56.400 -0.016 0.000 0.907 440 E CB 0.411 30.111 29.700 0.001 0.000 1.014 440 E HN 0.511 nan 8.360 nan 0.000 0.427 441 N N 1.941 120.378 118.700 -0.439 0.000 2.411 441 N HA 0.254 4.995 4.740 0.001 0.000 0.259 441 N C -0.987 174.259 175.510 -0.440 0.000 1.103 441 N CA 0.077 52.575 53.050 -0.920 0.000 0.954 441 N CB 0.093 38.239 38.487 -0.569 0.000 1.085 441 N HN 0.496 nan 8.380 nan 0.000 0.485 442 F N 1.944 121.538 119.950 -0.593 0.000 3.127 442 F HA -0.032 4.496 4.527 0.001 0.000 0.356 442 F C -0.473 175.336 175.800 0.015 0.000 1.208 442 F CA -1.016 56.845 58.000 -0.232 0.000 1.250 442 F CB 1.040 39.905 39.000 -0.225 0.000 1.581 442 F HN 0.344 nan 8.300 nan 0.000 0.691 443 E N 4.428 124.833 120.200 0.341 0.000 2.384 443 E HA 0.369 4.720 4.350 0.001 0.000 0.266 443 E C -0.583 175.973 176.600 -0.074 0.000 1.012 443 E CA -0.259 56.250 56.400 0.181 0.000 0.901 443 E CB 1.791 31.592 29.700 0.168 0.000 0.967 443 E HN 0.565 nan 8.360 nan 0.000 0.435 444 A N 4.260 127.079 122.820 -0.003 0.000 2.322 444 A HA 0.247 4.567 4.320 0.001 0.000 0.269 444 A C 1.495 179.124 177.584 0.074 0.000 1.094 444 A CA -0.272 51.743 52.037 -0.036 0.000 0.807 444 A CB 0.234 19.216 19.000 -0.031 0.000 1.047 444 A HN 0.904 nan 8.150 nan 0.000 0.487 445 M N 1.092 120.717 119.600 0.042 0.000 2.279 445 M HA -0.156 4.324 4.480 0.001 0.000 0.264 445 M C 1.447 177.583 176.300 -0.273 0.000 1.062 445 M CA 1.948 57.212 55.300 -0.061 0.000 1.099 445 M CB -0.472 31.887 32.600 -0.400 0.000 1.394 445 M HN 0.779 nan 8.290 nan 0.000 0.426 446 Q N 1.517 121.154 119.800 -0.273 0.000 2.360 446 Q HA 0.286 4.627 4.340 0.001 0.000 0.202 446 Q C 0.798 176.885 176.000 0.145 0.000 0.915 446 Q CA 0.660 56.430 55.803 -0.056 0.000 0.943 446 Q CB -0.247 28.460 28.738 -0.052 0.000 1.064 446 Q HN 0.508 nan 8.270 nan 0.000 0.511 447 G N 0.980 109.882 108.800 0.170 0.000 2.531 447 G HA2 0.389 4.349 3.960 0.001 0.000 0.253 447 G HA3 0.389 4.349 3.960 0.001 0.000 0.253 447 G C -1.300 173.854 174.900 0.422 0.000 1.439 447 G CA -0.527 44.722 45.100 0.248 0.000 1.056 447 G HN 0.231 nan 8.290 nan 0.000 0.555 448 F N 0.104 120.186 119.950 0.220 0.000 2.902 448 F HA 0.366 4.893 4.527 0.001 0.000 0.368 448 F C -0.725 175.233 175.800 0.263 0.000 1.202 448 F CA -1.373 56.778 58.000 0.252 0.000 1.109 448 F CB 1.051 40.196 39.000 0.241 0.000 1.418 448 F HN 0.455 nan 8.300 nan 0.000 0.527 449 H N 4.586 123.674 119.070 0.030 0.000 3.109 449 H HA 0.661 5.218 4.556 0.001 0.000 0.266 449 H C -0.918 174.221 175.328 -0.316 0.000 1.334 449 H CA 0.288 56.301 56.048 -0.058 0.000 1.456 449 H CB 0.105 29.924 29.762 0.095 0.000 1.587 449 H HN 0.623 nan 8.280 nan 0.000 0.500 450 A N 3.908 126.414 122.820 -0.524 0.000 2.375 450 A HA 0.598 4.919 4.320 0.001 0.000 0.295 450 A C 0.178 177.648 177.584 -0.191 0.000 1.066 450 A CA -0.249 51.491 52.037 -0.494 0.000 0.722 450 A CB 0.937 19.444 19.000 -0.822 0.000 1.206 450 A HN 0.774 nan 8.150 nan 0.000 0.435 451 G N 0.942 109.667 108.800 -0.124 0.000 2.377 451 G HA2 0.500 4.460 3.960 0.001 0.000 0.299 451 G HA3 0.500 4.460 3.960 0.001 0.000 0.299 451 G C -0.567 174.446 174.900 0.188 0.000 1.150 451 G CA -0.412 44.707 45.100 0.032 0.000 0.847 451 G HN 0.577 nan 8.290 nan 0.000 0.501 452 W N 0.672 121.892 121.300 -0.133 0.000 2.141 452 W HA 0.581 5.241 4.660 0.001 0.000 0.354 452 W C 1.422 177.844 176.519 -0.160 0.000 1.297 452 W CA -0.994 56.260 57.345 -0.152 0.000 1.380 452 W CB 0.265 29.603 29.460 -0.204 0.000 1.168 452 W HN 0.877 nan 8.180 nan 0.000 0.639 453 R N 0.248 120.777 120.500 0.049 0.000 3.750 453 R HA -0.350 3.991 4.340 0.001 0.000 0.495 453 R C 1.258 177.504 176.300 -0.090 0.000 0.241 453 R CA 1.981 58.047 56.100 -0.056 0.000 1.551 453 R CB -1.154 29.092 30.300 -0.091 0.000 0.956 453 R HN 0.463 nan 8.270 nan 0.000 0.584 454 K N 1.037 121.326 120.400 -0.185 0.000 2.525 454 K HA 0.075 4.395 4.320 0.001 0.000 0.192 454 K C 1.631 178.213 176.600 -0.029 0.000 1.029 454 K CA 0.766 56.935 56.287 -0.196 0.000 1.029 454 K CB 0.128 32.368 32.500 -0.434 0.000 0.814 454 K HN 0.269 nan 8.250 nan 0.000 0.503 455 S N 0.516 116.252 115.700 0.060 0.000 2.507 455 S HA -0.006 4.465 4.470 0.001 0.000 0.235 455 S C 0.825 175.466 174.600 0.069 0.000 0.988 455 S CA 0.720 59.019 58.200 0.165 0.000 0.944 455 S CB 0.172 63.459 63.200 0.146 0.000 0.762 455 S HN 0.624 nan 8.310 nan 0.000 0.526 456 G N -0.123 108.692 108.800 0.025 0.000 2.356 456 G HA2 0.340 4.300 3.960 0.001 0.000 0.288 456 G HA3 0.340 4.300 3.960 0.001 0.000 0.288 456 G C -2.002 172.883 174.900 -0.025 0.000 1.302 456 G CA -1.014 44.085 45.100 -0.000 0.000 0.887 456 G HN 0.145 nan 8.290 nan 0.000 0.521 457 I N 0.992 121.546 120.570 -0.027 0.000 2.569 457 I HA 0.590 4.761 4.170 0.001 0.000 0.290 457 I C 0.853 176.957 176.117 -0.021 0.000 1.088 457 I CA 0.440 61.721 61.300 -0.033 0.000 1.047 457 I CB 1.689 39.670 38.000 -0.031 0.000 1.237 457 I HN 2.011 nan 8.210 nan 0.000 0.421 458 G N 4.327 113.124 108.800 -0.006 0.000 2.525 458 G HA2 0.174 4.135 3.960 0.001 0.000 0.248 458 G HA3 0.174 4.135 3.960 0.001 0.000 0.248 458 G C -0.099 174.812 174.900 0.018 0.000 1.238 458 G CA -0.145 44.988 45.100 0.056 0.000 0.926 458 G HN 1.390 nan 8.290 nan 0.000 0.574 459 G N -2.203 106.648 108.800 0.084 0.000 2.342 459 G HA2 0.855 4.816 3.960 0.001 0.000 0.297 459 G HA3 0.855 4.816 3.960 0.001 0.000 0.297 459 G C -0.693 174.335 174.900 0.213 0.000 1.313 459 G CA 1.035 46.074 45.100 -0.101 0.000 0.830 459 G HN 2.498 nan 8.290 nan 0.000 0.506 460 A N -0.580 122.364 122.820 0.207 0.000 2.527 460 A HA 0.944 5.265 4.320 0.001 0.000 0.293 460 A C -0.945 176.973 177.584 0.558 0.000 1.117 460 A CA 0.261 52.545 52.037 0.411 0.000 0.723 460 A CB 1.312 20.499 19.000 0.313 0.000 1.313 460 A HN 1.738 nan 8.150 nan 0.000 0.411 461 D N -1.141 119.603 120.400 0.574 0.000 10.694 461 D HA 0.305 4.946 4.640 0.001 0.000 0.343 461 D C 0.545 177.132 176.300 0.478 0.000 3.140 461 D CA 2.141 56.486 54.000 0.574 0.000 2.670 461 D CB -1.042 40.095 40.800 0.561 0.000 1.232 461 D HN 2.311 nan 8.370 nan 0.000 0.946 462 G N 0.413 109.483 108.800 0.450 0.000 2.682 462 G HA2 -0.385 3.575 3.960 0.001 0.000 0.256 462 G HA3 -0.385 3.575 3.960 0.001 0.000 0.256 462 G C 0.881 175.845 174.900 0.107 0.000 1.333 462 G CA 1.127 46.488 45.100 0.435 0.000 0.904 462 G HN 0.867 nan 8.290 nan 0.000 0.569 463 K N -0.928 119.370 120.400 -0.170 0.000 2.063 463 K HA -0.169 4.152 4.320 0.001 0.000 0.208 463 K C 2.231 178.165 176.600 -1.111 0.000 1.048 463 K CA 2.009 57.702 56.287 -0.989 0.000 0.928 463 K CB -0.278 31.673 32.500 -0.916 0.000 0.713 463 K HN 0.651 nan 8.250 nan 0.000 0.442 464 H N -0.994 117.676 119.070 -0.667 0.000 2.423 464 H HA -0.038 4.519 4.556 0.001 0.000 0.297 464 H C 2.101 177.186 175.328 -0.405 0.000 1.075 464 H CA 1.361 56.923 56.048 -0.810 0.000 1.342 464 H CB -0.299 28.436 29.762 -1.712 0.000 1.395 464 H HN 0.445 nan 8.280 nan 0.000 0.530 465 G N 1.040 109.855 108.800 0.026 0.000 2.408 465 G HA2 -0.182 3.778 3.960 0.001 0.000 0.217 465 G HA3 -0.182 3.778 3.960 0.001 0.000 0.217 465 G C 1.884 176.892 174.900 0.180 0.000 1.150 465 G CA 0.532 45.838 45.100 0.344 0.000 0.776 465 G HN 0.313 nan 8.290 nan 0.000 0.542 466 L N -0.089 121.078 121.223 -0.094 0.000 2.046 466 L HA -0.005 4.335 4.340 0.001 0.000 0.208 466 L C 2.570 179.417 176.870 -0.039 0.000 1.077 466 L CA 1.883 56.619 54.840 -0.174 0.000 0.747 466 L CB -0.538 41.121 42.059 -0.667 0.000 0.896 466 L HN 0.409 nan 8.230 nan 0.000 0.432 467 H N -1.205 117.748 119.070 -0.194 0.000 2.489 467 H HA -0.086 4.470 4.556 0.001 0.000 0.293 467 H C 1.649 176.943 175.328 -0.058 0.000 1.066 467 H CA 0.532 56.492 56.048 -0.147 0.000 1.305 467 H CB 0.306 29.971 29.762 -0.162 0.000 1.386 467 H HN 0.381 nan 8.280 nan 0.000 0.551 468 E N 0.607 120.876 120.200 0.115 0.000 2.265 468 E HA -0.160 4.191 4.350 0.001 0.000 0.196 468 E C 0.637 177.115 176.600 -0.204 0.000 0.996 468 E CA 0.984 57.372 56.400 -0.020 0.000 0.832 468 E CB -0.077 29.609 29.700 -0.024 0.000 0.756 468 E HN 0.662 nan 8.360 nan 0.000 0.491 469 Y N -0.314 119.991 120.300 0.007 0.000 2.493 469 Y HA 0.242 4.792 4.550 0.001 0.000 0.275 469 Y C 0.626 176.499 175.900 -0.045 0.000 1.183 469 Y CA -0.008 58.085 58.100 -0.012 0.000 1.258 469 Y CB 0.399 38.852 38.460 -0.012 0.000 1.108 469 Y HN -0.156 nan 8.280 nan 0.000 0.521 470 L N 0.801 122.037 121.223 0.021 0.000 2.370 470 L HA 0.479 4.819 4.340 0.001 0.000 0.266 470 L C -0.723 176.130 176.870 -0.029 0.000 1.002 470 L CA -0.953 53.874 54.840 -0.022 0.000 0.818 470 L CB 2.321 44.326 42.059 -0.090 0.000 1.325 470 L HN 0.021 nan 8.230 nan 0.000 0.418 471 Q N 0.066 119.860 119.800 -0.011 0.000 2.451 471 Q HA 0.651 4.992 4.340 0.001 0.000 0.281 471 Q C -1.107 174.898 176.000 0.008 0.000 1.099 471 Q CA -0.920 54.877 55.803 -0.010 0.000 0.806 471 Q CB 2.244 30.981 28.738 -0.002 0.000 1.419 471 Q HN 0.595 nan 8.270 nan 0.000 0.427 472 T N -1.237 113.321 114.554 0.006 0.000 2.907 472 T HA 0.341 4.692 4.350 0.001 0.000 0.284 472 T C -0.371 174.360 174.700 0.052 0.000 1.004 472 T CA -0.722 61.394 62.100 0.027 0.000 1.063 472 T CB 1.490 70.359 68.868 0.002 0.000 0.992 472 T HN 0.670 nan 8.240 nan 0.000 0.483 473 Q N 2.358 122.216 119.800 0.096 0.000 2.394 473 Q HA 0.487 4.828 4.340 0.001 0.000 0.261 473 Q C -1.657 174.435 176.000 0.152 0.000 1.023 473 Q CA -0.752 55.117 55.803 0.109 0.000 0.720 473 Q CB 1.288 30.079 28.738 0.087 0.000 1.241 473 Q HN 0.670 nan 8.270 nan 0.000 0.483 474 V N 4.628 124.598 119.914 0.093 0.000 2.408 474 V HA 0.244 4.365 4.120 0.001 0.000 0.267 474 V C -0.084 176.037 176.094 0.045 0.000 1.047 474 V CA -0.452 61.862 62.300 0.024 0.000 0.937 474 V CB 1.256 33.063 31.823 -0.027 0.000 0.999 474 V HN 0.557 nan 8.190 nan 0.000 0.472 475 V N 6.275 126.205 119.914 0.027 0.000 2.370 475 V HA 0.344 4.464 4.120 0.001 0.000 0.279 475 V C -0.689 175.372 176.094 -0.054 0.000 1.029 475 V CA -0.657 61.693 62.300 0.084 0.000 0.870 475 V CB 0.982 32.936 31.823 0.218 0.000 0.984 475 V HN 0.733 nan 8.190 nan 0.000 0.451 476 Y N 5.051 125.383 120.300 0.053 0.000 2.676 476 Y HA 0.423 4.974 4.550 0.001 0.000 0.338 476 Y C 0.035 175.954 175.900 0.032 0.000 1.057 476 Y CA -0.722 57.398 58.100 0.033 0.000 1.314 476 Y CB 1.029 39.502 38.460 0.021 0.000 1.164 476 Y HN 0.490 nan 8.280 nan 0.000 0.509 477 L N 4.374 125.670 121.223 0.123 0.000 2.334 477 L HA 0.319 4.660 4.340 0.001 0.000 0.286 477 L C -0.235 176.681 176.870 0.077 0.000 1.108 477 L CA -0.607 54.287 54.840 0.090 0.000 0.875 477 L CB 0.364 42.462 42.059 0.065 0.000 1.246 477 L HN 0.511 nan 8.230 nan 0.000 0.439 478 Q N 3.990 123.836 119.800 0.076 0.000 2.295 478 Q HA 0.530 4.871 4.340 0.001 0.000 0.259 478 Q C 0.273 176.296 176.000 0.038 0.000 0.976 478 Q CA 1.114 56.951 55.803 0.057 0.000 0.923 478 Q CB 0.616 29.385 28.738 0.050 0.000 1.185 478 Q HN 0.861 nan 8.270 nan 0.000 0.410 479 S N 0.000 115.718 115.700 0.031 0.000 2.498 479 S HA 0.000 4.471 4.470 0.001 0.000 0.327 479 S CA 0.000 58.213 58.200 0.022 0.000 1.107 479 S CB 0.000 63.211 63.200 0.018 0.000 0.593 479 S HN 0.000 nan 8.310 nan 0.000 0.517