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 2hg2_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 KNITKVCLEL 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 0.000 176.044 176.094 -0.083 0.000 1.182 3 V CA 0.000 62.260 62.300 -0.067 0.000 1.235 3 V CB 0.000 31.777 31.823 -0.076 0.000 1.184 4 P HA 0.239 nan 4.420 nan 0.000 0.271 4 P C -0.110 177.091 177.300 -0.165 0.000 1.233 4 P CA 0.151 63.189 63.100 -0.103 0.000 0.764 4 P CB 1.469 33.118 31.700 -0.084 0.000 0.825 5 V N 3.840 123.642 119.914 -0.186 0.000 2.763 5 V HA -0.048 4.073 4.120 0.001 0.000 0.306 5 V C 0.222 176.079 176.094 -0.394 0.000 1.059 5 V CA 0.316 62.445 62.300 -0.285 0.000 1.138 5 V CB 0.151 31.779 31.823 -0.326 0.000 0.940 5 V HN 0.554 nan 8.190 nan 0.000 0.489 6 Q N 5.959 125.533 119.800 -0.377 0.000 2.372 6 Q HA 0.407 4.748 4.340 0.001 0.000 0.259 6 Q C -0.939 174.994 176.000 -0.113 0.000 0.993 6 Q CA -0.582 55.008 55.803 -0.356 0.000 0.854 6 Q CB 1.149 29.485 28.738 -0.670 0.000 1.231 6 Q HN 0.773 nan 8.270 nan 0.000 0.462 7 H N 3.411 122.587 119.070 0.178 0.000 2.629 7 H HA 0.259 4.815 4.556 0.001 0.000 0.357 7 H C -2.018 173.475 175.328 0.275 0.000 1.121 7 H CA -1.490 54.668 56.048 0.183 0.000 1.406 7 H CB 0.661 30.509 29.762 0.143 0.000 1.456 7 H HN 0.458 nan 8.280 nan 0.000 0.579 8 P HA 0.283 nan 4.420 nan 0.000 0.285 8 P C -0.266 177.264 177.300 0.383 0.000 1.280 8 P CA -0.681 62.639 63.100 0.367 0.000 0.862 8 P CB 1.838 33.747 31.700 0.349 0.000 1.153 9 M N 0.435 120.229 119.600 0.323 0.000 2.368 9 M HA 0.277 4.758 4.480 0.001 0.000 0.311 9 M C -0.509 176.001 176.300 0.350 0.000 1.168 9 M CA -0.545 54.912 55.300 0.262 0.000 1.044 9 M CB 0.802 33.472 32.600 0.116 0.000 1.506 9 M HN 0.331 nan 8.290 nan 0.000 0.475 10 Y N 2.235 122.593 120.300 0.097 0.000 2.464 10 Y HA 0.581 5.131 4.550 0.001 0.000 0.326 10 Y C -1.354 174.481 175.900 -0.109 0.000 0.969 10 Y CA -0.598 57.449 58.100 -0.088 0.000 1.270 10 Y CB 0.456 38.809 38.460 -0.178 0.000 1.103 10 Y HN 0.440 nan 8.280 nan 0.000 0.491 11 I N 5.171 125.483 120.570 -0.431 0.000 2.466 11 I HA 0.219 4.389 4.170 0.001 0.000 0.289 11 I C -0.480 175.395 176.117 -0.404 0.000 1.026 11 I CA -0.958 60.142 61.300 -0.332 0.000 1.078 11 I CB 1.853 39.760 38.000 -0.155 0.000 1.249 11 I HN 0.508 nan 8.210 nan 0.000 0.429 12 D N 5.241 125.436 120.400 -0.342 0.000 2.699 12 D HA -0.175 4.466 4.640 0.001 0.000 0.239 12 D C 0.967 177.067 176.300 -0.333 0.000 1.136 12 D CA 1.632 55.469 54.000 -0.271 0.000 0.668 12 D CB -0.758 39.937 40.800 -0.175 0.000 1.060 12 D HN 1.139 nan 8.370 nan 0.000 0.429 13 G N 0.052 108.552 108.800 -0.499 0.000 2.148 13 G HA2 -0.273 3.688 3.960 0.001 0.000 0.254 13 G HA3 -0.273 3.688 3.960 0.001 0.000 0.254 13 G C 0.048 174.684 174.900 -0.440 0.000 0.981 13 G CA 1.064 45.929 45.100 -0.391 0.000 0.670 13 G HN 1.004 nan 8.290 nan 0.000 0.528 14 Q N -1.497 117.829 119.800 -0.790 0.000 2.472 14 Q HA 0.702 5.043 4.340 0.001 0.000 0.281 14 Q C -0.952 174.795 176.000 -0.423 0.000 0.997 14 Q CA -1.323 54.253 55.803 -0.378 0.000 0.828 14 Q CB 0.959 29.623 28.738 -0.125 0.000 1.443 14 Q HN 0.140 nan 8.270 nan 0.000 0.390 15 F N 0.815 120.848 119.950 0.138 0.000 2.443 15 F HA 0.434 4.961 4.527 0.001 0.000 0.353 15 F C -0.100 175.765 175.800 0.108 0.000 1.101 15 F CA -0.352 57.775 58.000 0.212 0.000 1.226 15 F CB 1.473 40.637 39.000 0.273 0.000 1.140 15 F HN 0.269 nan 8.300 nan 0.000 0.557 16 V N 2.679 122.766 119.914 0.289 0.000 2.409 16 V HA 0.247 4.367 4.120 0.001 0.000 0.291 16 V C -0.148 176.100 176.094 0.256 0.000 1.020 16 V CA -0.929 61.491 62.300 0.201 0.000 0.848 16 V CB 1.669 33.562 31.823 0.118 0.000 0.990 16 V HN 0.734 nan 8.190 nan 0.000 0.430 17 T N 5.203 119.895 114.554 0.229 0.000 2.834 17 T HA 0.058 4.408 4.350 0.001 0.000 0.298 17 T C -0.090 174.784 174.700 0.290 0.000 0.966 17 T CA 0.014 62.274 62.100 0.266 0.000 1.141 17 T CB 0.355 69.346 68.868 0.205 0.000 0.905 17 T HN 0.715 nan 8.240 nan 0.000 0.535 18 W N 4.427 125.794 121.300 0.111 0.000 2.303 18 W HA 0.091 4.752 4.660 0.001 0.000 0.318 18 W C -0.040 176.473 176.519 -0.010 0.000 1.362 18 W CA -0.904 56.419 57.345 -0.036 0.000 1.234 18 W CB 0.428 29.720 29.460 -0.280 0.000 1.248 18 W HN 0.499 nan 8.180 nan 0.000 0.546 19 R N 4.389 124.526 120.500 -0.605 0.000 2.466 19 R HA 0.188 4.529 4.340 0.001 0.000 0.279 19 R C 0.710 176.469 176.300 -0.903 0.000 0.976 19 R CA -0.128 55.639 56.100 -0.555 0.000 1.081 19 R CB 0.205 30.306 30.300 -0.330 0.000 1.215 19 R HN 0.477 nan 8.270 nan 0.000 0.546 20 G N -0.117 107.557 108.800 -1.877 0.000 2.522 20 G HA2 0.197 4.158 3.960 0.001 0.000 0.304 20 G HA3 0.197 4.158 3.960 0.001 0.000 0.304 20 G C -0.083 174.538 174.900 -0.464 0.000 1.210 20 G CA -0.392 43.949 45.100 -1.264 0.000 0.960 20 G HN -0.064 nan 8.290 nan 0.000 0.497 21 D N -0.408 119.907 120.400 -0.142 0.000 2.366 21 D HA 0.204 4.845 4.640 0.001 0.000 0.205 21 D C 1.326 177.731 176.300 0.175 0.000 1.022 21 D CA 0.398 54.437 54.000 0.065 0.000 0.868 21 D CB 0.471 41.299 40.800 0.047 0.000 0.953 21 D HN 0.460 nan 8.370 nan 0.000 0.514 22 A N 0.347 123.237 122.820 0.117 0.000 2.290 22 A HA 0.549 4.870 4.320 0.001 0.000 0.310 22 A C -1.030 176.551 177.584 -0.005 0.000 1.202 22 A CA -0.447 51.673 52.037 0.138 0.000 0.837 22 A CB 0.692 19.757 19.000 0.109 0.000 1.139 22 A HN 0.033 nan 8.150 nan 0.000 0.509 23 W N 0.734 122.117 121.300 0.138 0.000 2.929 23 W HA 0.691 5.351 4.660 0.001 0.000 0.345 23 W C -0.522 176.008 176.519 0.019 0.000 1.151 23 W CA -0.489 56.897 57.345 0.068 0.000 1.111 23 W CB 1.513 31.024 29.460 0.084 0.000 1.449 23 W HN 0.426 nan 8.180 nan 0.000 0.572 24 I N 2.414 123.134 120.570 0.250 0.000 2.418 24 I HA 0.168 4.339 4.170 0.001 0.000 0.287 24 I C -0.618 175.586 176.117 0.145 0.000 1.008 24 I CA -0.910 60.468 61.300 0.130 0.000 1.104 24 I CB 1.154 39.171 38.000 0.028 0.000 1.264 24 I HN 0.162 nan 8.210 nan 0.000 0.438 25 D N 5.742 126.213 120.400 0.118 0.000 2.345 25 D HA 0.210 4.850 4.640 0.001 0.000 0.247 25 D C -0.343 176.019 176.300 0.103 0.000 1.108 25 D CA 0.060 54.119 54.000 0.099 0.000 0.894 25 D CB 2.263 43.109 40.800 0.077 0.000 1.203 25 D HN 0.047 nan 8.370 nan 0.000 0.430 26 V N 2.959 122.935 119.914 0.104 0.000 2.347 26 V HA 0.222 4.343 4.120 0.001 0.000 0.280 26 V C 0.298 176.452 176.094 0.100 0.000 1.021 26 V CA -0.718 61.654 62.300 0.120 0.000 0.847 26 V CB 1.686 33.590 31.823 0.134 0.000 0.990 26 V HN 0.231 nan 8.190 nan 0.000 0.444 27 V N 4.092 124.069 119.914 0.105 0.000 2.547 27 V HA 0.407 4.528 4.120 0.001 0.000 0.299 27 V C 0.333 176.467 176.094 0.066 0.000 1.040 27 V CA -0.903 61.445 62.300 0.079 0.000 0.913 27 V CB 1.955 33.831 31.823 0.088 0.000 0.992 27 V HN 0.860 nan 8.190 nan 0.000 0.449 28 N N 6.318 125.045 118.700 0.044 0.000 2.420 28 N HA 0.153 4.894 4.740 0.001 0.000 0.262 28 N C -1.365 174.152 175.510 0.013 0.000 1.144 28 N CA -1.721 51.345 53.050 0.027 0.000 0.952 28 N CB 1.674 40.171 38.487 0.015 0.000 1.081 28 N HN 0.381 nan 8.380 nan 0.000 0.480 29 P HA -0.064 nan 4.420 nan 0.000 0.231 29 P C 0.508 177.720 177.300 -0.147 0.000 1.158 29 P CA 0.639 63.762 63.100 0.038 0.000 0.763 29 P CB 0.328 32.029 31.700 0.001 0.000 0.805 30 A N 0.233 122.992 122.820 -0.102 0.000 1.997 30 A HA 0.024 4.345 4.320 0.001 0.000 0.212 30 A C 2.057 179.617 177.584 -0.040 0.000 1.178 30 A CA 1.777 53.775 52.037 -0.065 0.000 0.698 30 A CB -0.965 18.067 19.000 0.053 0.000 0.842 30 A HN 0.347 nan 8.150 nan 0.000 0.458 31 T N -5.006 109.511 114.554 -0.062 0.000 2.959 31 T HA 0.268 4.619 4.350 0.001 0.000 0.254 31 T C 0.394 175.038 174.700 -0.093 0.000 1.003 31 T CA 0.809 62.875 62.100 -0.056 0.000 0.950 31 T CB 0.007 68.864 68.868 -0.018 0.000 1.090 31 T HN 0.477 nan 8.240 nan 0.000 0.503 32 E N 0.218 120.355 120.200 -0.104 0.000 3.763 32 E HA -0.143 4.208 4.350 0.001 0.000 0.319 32 E C 0.266 176.857 176.600 -0.014 0.000 0.804 32 E CA 0.246 56.605 56.400 -0.068 0.000 1.196 32 E CB -2.015 27.615 29.700 -0.117 0.000 1.607 32 E HN 0.822 nan 8.360 nan 0.000 0.431 33 A N 0.792 123.606 122.820 -0.010 0.000 2.316 33 A HA 0.506 4.827 4.320 0.001 0.000 0.284 33 A C 0.492 178.085 177.584 0.015 0.000 1.115 33 A CA -0.314 51.723 52.037 0.001 0.000 0.812 33 A CB 0.891 19.889 19.000 -0.003 0.000 1.064 33 A HN 0.077 nan 8.150 nan 0.000 0.489 34 V N 4.155 124.077 119.914 0.014 0.000 2.415 34 V HA 0.041 4.161 4.120 0.001 0.000 0.267 34 V C 1.342 177.444 176.094 0.013 0.000 1.042 34 V CA 0.635 62.947 62.300 0.020 0.000 1.000 34 V CB -0.037 31.793 31.823 0.011 0.000 1.015 34 V HN 0.799 nan 8.190 nan 0.000 0.478 35 I N 2.400 122.988 120.570 0.029 0.000 3.228 35 I HA 0.290 4.461 4.170 0.001 0.000 0.279 35 I C 0.802 176.933 176.117 0.024 0.000 1.221 35 I CA 0.375 61.692 61.300 0.028 0.000 1.458 35 I CB 0.332 38.360 38.000 0.047 0.000 1.105 35 I HN 0.675 nan 8.210 nan 0.000 0.445 36 S N 0.346 116.067 115.700 0.034 0.000 2.643 36 S HA 0.580 5.051 4.470 0.001 0.000 0.266 36 S C -0.893 173.732 174.600 0.041 0.000 1.130 36 S CA -1.092 57.116 58.200 0.012 0.000 0.817 36 S CB 2.011 65.276 63.200 0.109 0.000 1.107 36 S HN 0.319 nan 8.310 nan 0.000 0.471 37 R N 0.287 120.797 120.500 0.018 0.000 2.686 37 R HA 0.758 5.099 4.340 0.001 0.000 0.283 37 R C -0.905 175.572 176.300 0.296 0.000 0.978 37 R CA -0.770 55.398 56.100 0.113 0.000 0.897 37 R CB 1.913 32.188 30.300 -0.041 0.000 1.192 37 R HN 0.832 nan 8.270 nan 0.000 0.457 38 I N -1.153 119.640 120.570 0.371 0.000 2.892 38 I HA 0.667 4.837 4.170 0.001 0.000 0.306 38 I C -2.608 173.593 176.117 0.140 0.000 1.078 38 I CA -3.070 58.422 61.300 0.320 0.000 1.032 38 I CB 2.547 40.629 38.000 0.137 0.000 1.229 38 I HN 0.337 nan 8.210 nan 0.000 0.435 39 P HA 0.033 nan 4.420 nan 0.000 0.272 39 P C -0.931 175.837 177.300 -0.887 0.000 1.223 39 P CA 0.161 62.497 63.100 -1.274 0.000 0.784 39 P CB 0.684 31.081 31.700 -2.172 0.000 0.923 40 D N 1.703 121.612 120.400 -0.819 0.000 2.741 40 D HA 0.227 4.867 4.640 0.001 0.000 0.233 40 D C 0.900 176.906 176.300 -0.491 0.000 1.160 40 D CA -0.278 53.479 54.000 -0.405 0.000 1.003 40 D CB -0.872 39.842 40.800 -0.145 0.000 1.064 40 D HN 0.367 nan 8.370 nan 0.000 0.503 41 G N 1.789 110.183 108.800 -0.676 0.000 2.568 41 G HA2 0.101 4.062 3.960 0.001 0.000 0.231 41 G HA3 0.101 4.062 3.960 0.001 0.000 0.231 41 G C 0.065 174.863 174.900 -0.169 0.000 1.261 41 G CA -0.236 44.547 45.100 -0.528 0.000 0.855 41 G HN 0.337 nan 8.290 nan 0.000 0.576 42 Q N -0.446 119.342 119.800 -0.021 0.000 2.445 42 Q HA 0.536 4.877 4.340 0.001 0.000 0.281 42 Q C 1.428 177.433 176.000 0.008 0.000 1.101 42 Q CA -0.295 55.523 55.803 0.026 0.000 0.833 42 Q CB 1.535 30.332 28.738 0.099 0.000 1.416 42 Q HN 0.529 nan 8.270 nan 0.000 0.451 43 A N 0.861 123.683 122.820 0.004 0.000 1.948 43 A HA -0.270 4.051 4.320 0.001 0.000 0.220 43 A C 1.642 179.227 177.584 0.002 0.000 1.177 43 A CA 2.308 54.342 52.037 -0.005 0.000 0.636 43 A CB -0.447 18.550 19.000 -0.005 0.000 0.815 43 A HN 0.812 nan 8.150 nan 0.000 0.449 44 E N 0.068 120.280 120.200 0.019 0.000 2.097 44 E HA -0.213 4.137 4.350 0.001 0.000 0.196 44 E C 1.477 178.092 176.600 0.024 0.000 1.000 44 E CA 1.326 57.739 56.400 0.021 0.000 0.804 44 E CB -0.278 29.442 29.700 0.032 0.000 0.740 44 E HN 0.641 nan 8.360 nan 0.000 0.454 45 D N 0.592 121.019 120.400 0.044 0.000 2.117 45 D HA -0.122 4.519 4.640 0.001 0.000 0.198 45 D C 2.015 178.309 176.300 -0.010 0.000 0.982 45 D CA 1.251 55.274 54.000 0.039 0.000 0.828 45 D CB -0.152 40.682 40.800 0.056 0.000 0.967 45 D HN 0.182 nan 8.370 nan 0.000 0.464 46 A N 1.589 124.394 122.820 -0.025 0.000 1.933 46 A HA -0.183 4.137 4.320 0.001 0.000 0.218 46 A C 2.186 179.746 177.584 -0.040 0.000 1.175 46 A CA 1.034 53.045 52.037 -0.043 0.000 0.628 46 A CB -0.415 18.559 19.000 -0.044 0.000 0.814 46 A HN 0.121 nan 8.150 nan 0.000 0.444 47 R N -0.227 120.257 120.500 -0.027 0.000 2.092 47 R HA -0.091 4.249 4.340 0.001 0.000 0.231 47 R C 2.099 178.380 176.300 -0.032 0.000 1.119 47 R CA 1.476 57.561 56.100 -0.026 0.000 0.970 47 R CB -0.303 29.987 30.300 -0.017 0.000 0.864 47 R HN 0.508 nan 8.270 nan 0.000 0.440 48 K N 0.529 120.912 120.400 -0.029 0.000 2.057 48 K HA -0.078 4.242 4.320 0.001 0.000 0.207 48 K C 2.177 178.742 176.600 -0.058 0.000 1.049 48 K CA 1.365 57.630 56.287 -0.036 0.000 0.931 48 K CB -0.111 32.374 32.500 -0.026 0.000 0.714 48 K HN 0.134 nan 8.250 nan 0.000 0.440 49 A N 1.376 124.155 122.820 -0.068 0.000 1.898 49 A HA -0.115 4.206 4.320 0.001 0.000 0.216 49 A C 2.095 179.624 177.584 -0.092 0.000 1.181 49 A CA 1.150 53.129 52.037 -0.097 0.000 0.620 49 A CB -0.498 18.436 19.000 -0.110 0.000 0.819 49 A HN 0.154 nan 8.150 nan 0.000 0.442 50 I N -0.008 120.519 120.570 -0.071 0.000 2.226 50 I HA -0.229 3.941 4.170 0.001 0.000 0.245 50 I C 1.742 177.828 176.117 -0.051 0.000 1.100 50 I CA 1.439 62.703 61.300 -0.059 0.000 1.374 50 I CB -0.459 37.514 38.000 -0.045 0.000 1.057 50 I HN 0.264 nan 8.210 nan 0.000 0.413 51 D N 1.128 121.501 120.400 -0.046 0.000 2.144 51 D HA -0.138 4.503 4.640 0.001 0.000 0.199 51 D C 2.229 178.501 176.300 -0.046 0.000 0.984 51 D CA 1.517 55.494 54.000 -0.039 0.000 0.834 51 D CB -0.102 40.678 40.800 -0.033 0.000 0.955 51 D HN 0.357 nan 8.370 nan 0.000 0.465 52 A N 1.017 123.799 122.820 -0.064 0.000 1.930 52 A HA 0.045 4.365 4.320 0.001 0.000 0.217 52 A C 2.313 179.849 177.584 -0.080 0.000 1.175 52 A CA 1.801 53.791 52.037 -0.077 0.000 0.627 52 A CB -0.513 18.423 19.000 -0.107 0.000 0.815 52 A HN 0.223 nan 8.150 nan 0.000 0.443 53 A N -0.226 122.543 122.820 -0.085 0.000 1.902 53 A HA -0.172 4.149 4.320 0.001 0.000 0.217 53 A C 2.027 179.583 177.584 -0.046 0.000 1.181 53 A CA 1.758 53.745 52.037 -0.084 0.000 0.623 53 A CB -0.502 18.447 19.000 -0.086 0.000 0.818 53 A HN 0.668 nan 8.150 nan 0.000 0.443 54 E N -0.203 119.978 120.200 -0.032 0.000 2.077 54 E HA -0.201 4.149 4.350 0.001 0.000 0.193 54 E C 2.234 178.831 176.600 -0.004 0.000 0.989 54 E CA 0.993 57.386 56.400 -0.011 0.000 0.800 54 E CB -0.123 29.569 29.700 -0.012 0.000 0.746 54 E HN 0.575 nan 8.360 nan 0.000 0.452 55 R N -0.212 120.278 120.500 -0.016 0.000 2.120 55 R HA -0.089 4.252 4.340 0.001 0.000 0.234 55 R C 2.210 178.512 176.300 0.002 0.000 1.123 55 R CA 1.092 57.187 56.100 -0.009 0.000 0.975 55 R CB -0.159 30.129 30.300 -0.020 0.000 0.866 55 R HN 0.160 nan 8.270 nan 0.000 0.446 56 A N 0.457 123.271 122.820 -0.010 0.000 2.081 56 A HA -0.069 4.251 4.320 0.001 0.000 0.214 56 A C 2.032 179.661 177.584 0.075 0.000 1.158 56 A CA 0.255 52.296 52.037 0.007 0.000 0.724 56 A CB -0.087 18.876 19.000 -0.061 0.000 0.826 56 A HN 0.138 nan 8.150 nan 0.000 0.463 57 Q N 0.440 120.283 119.800 0.071 0.000 2.061 57 Q HA -0.152 4.188 4.340 0.001 0.000 0.204 57 Q C -0.709 175.394 176.000 0.172 0.000 0.984 57 Q CA 2.347 58.237 55.803 0.145 0.000 0.846 57 Q CB -1.224 27.574 28.738 0.099 0.000 0.902 57 Q HN 0.425 nan 8.270 nan 0.000 0.421 58 P HA -0.133 nan 4.420 nan 0.000 0.215 58 P C 0.809 178.170 177.300 0.101 0.000 1.157 58 P CA 1.558 64.710 63.100 0.087 0.000 0.868 58 P CB -0.155 31.577 31.700 0.054 0.000 0.788 59 E N -1.616 118.655 120.200 0.119 0.000 2.106 59 E HA -0.187 4.163 4.350 0.001 0.000 0.192 59 E C 1.915 178.628 176.600 0.188 0.000 0.984 59 E CA 0.708 57.184 56.400 0.127 0.000 0.806 59 E CB -0.557 29.217 29.700 0.123 0.000 0.750 59 E HN 0.414 nan 8.360 nan 0.000 0.458 60 W N 2.054 123.368 121.300 0.024 0.000 2.379 60 W HA -0.189 4.472 4.660 0.001 0.000 0.307 60 W C 1.959 178.512 176.519 0.056 0.000 1.200 60 W CA 1.442 58.807 57.345 0.034 0.000 1.297 60 W CB 0.060 29.528 29.460 0.013 0.000 1.140 60 W HN 0.058 nan 8.180 nan 0.000 0.507 61 E N 0.582 120.826 120.200 0.073 0.000 2.204 61 E HA -0.157 4.193 4.350 0.001 0.000 0.194 61 E C 2.159 178.725 176.600 -0.057 0.000 0.989 61 E CA 1.301 57.679 56.400 -0.038 0.000 0.824 61 E CB -0.301 29.433 29.700 0.057 0.000 0.756 61 E HN 0.165 nan 8.360 nan 0.000 0.477 62 A N 0.794 123.605 122.820 -0.015 0.000 2.121 62 A HA 0.031 4.351 4.320 0.001 0.000 0.218 62 A C 1.071 178.631 177.584 -0.040 0.000 1.154 62 A CA 0.237 52.265 52.037 -0.015 0.000 0.679 62 A CB -0.308 18.700 19.000 0.014 0.000 0.795 62 A HN 0.219 nan 8.150 nan 0.000 0.458 63 L N 0.657 121.829 121.223 -0.085 0.000 2.426 63 L HA 0.189 4.529 4.340 0.001 0.000 0.271 63 L C -2.204 174.593 176.870 -0.122 0.000 1.169 63 L CA -1.890 52.891 54.840 -0.099 0.000 0.836 63 L CB 0.411 42.375 42.059 -0.159 0.000 1.112 63 L HN 0.047 nan 8.230 nan 0.000 0.465 64 P HA -0.033 nan 4.420 nan 0.000 0.267 64 P C 0.088 177.337 177.300 -0.085 0.000 1.200 64 P CA 0.056 63.117 63.100 -0.066 0.000 0.772 64 P CB 0.811 32.483 31.700 -0.048 0.000 0.855 65 A N 3.262 126.050 122.820 -0.053 0.000 1.940 65 A HA -0.220 4.101 4.320 0.001 0.000 0.219 65 A C 1.936 179.510 177.584 -0.017 0.000 1.176 65 A CA 1.583 53.610 52.037 -0.015 0.000 0.631 65 A CB -1.456 17.590 19.000 0.077 0.000 0.814 65 A HN 0.589 nan 8.150 nan 0.000 0.446 66 I N 0.156 120.709 120.570 -0.028 0.000 2.454 66 I HA -0.192 3.978 4.170 0.001 0.000 0.254 66 I C 2.004 178.097 176.117 -0.040 0.000 1.156 66 I CA 1.662 62.945 61.300 -0.028 0.000 1.433 66 I CB -0.320 37.656 38.000 -0.040 0.000 1.082 66 I HN 0.455 nan 8.210 nan 0.000 0.432 67 E N -0.288 119.880 120.200 -0.053 0.000 2.158 67 E HA -0.133 4.217 4.350 0.001 0.000 0.191 67 E C 2.277 178.885 176.600 0.014 0.000 0.982 67 E CA 0.550 56.917 56.400 -0.056 0.000 0.823 67 E CB -0.038 29.642 29.700 -0.035 0.000 0.766 67 E HN 0.485 nan 8.360 nan 0.000 0.468 68 R N 0.513 120.984 120.500 -0.047 0.000 2.075 68 R HA -0.032 4.309 4.340 0.001 0.000 0.232 68 R C 2.385 178.806 176.300 0.201 0.000 1.126 68 R CA 1.013 57.108 56.100 -0.008 0.000 0.963 68 R CB -0.261 29.834 30.300 -0.343 0.000 0.858 68 R HN 0.068 nan 8.270 nan 0.000 0.435 69 A N 0.665 123.543 122.820 0.096 0.000 1.940 69 A HA -0.212 4.108 4.320 0.001 0.000 0.219 69 A C 2.212 179.845 177.584 0.082 0.000 1.176 69 A CA 1.921 54.016 52.037 0.096 0.000 0.631 69 A CB -0.630 18.395 19.000 0.042 0.000 0.814 69 A HN 0.321 nan 8.150 nan 0.000 0.446 70 S N -1.475 114.234 115.700 0.016 0.000 2.359 70 S HA -0.232 4.239 4.470 0.001 0.000 0.224 70 S C 1.742 176.323 174.600 -0.031 0.000 1.035 70 S CA 1.639 59.793 58.200 -0.078 0.000 1.018 70 S CB -0.532 62.539 63.200 -0.214 0.000 0.876 70 S HN 0.717 nan 8.310 nan 0.000 0.448 71 W N 1.394 122.764 121.300 0.116 0.000 2.342 71 W HA 0.003 4.663 4.660 0.001 0.000 0.297 71 W C 2.168 178.758 176.519 0.118 0.000 1.213 71 W CA 0.534 57.973 57.345 0.157 0.000 1.251 71 W CB -0.353 29.303 29.460 0.326 0.000 1.136 71 W HN 0.302 nan 8.180 nan 0.000 0.526 72 L N -0.214 121.224 121.223 0.359 0.000 2.083 72 L HA -0.175 4.166 4.340 0.001 0.000 0.209 72 L C 2.429 179.385 176.870 0.144 0.000 1.083 72 L CA 1.278 56.259 54.840 0.235 0.000 0.752 72 L CB -0.700 41.485 42.059 0.210 0.000 0.899 72 L HN -0.038 nan 8.230 nan 0.000 0.433 73 R N 0.015 120.578 120.500 0.105 0.000 2.148 73 R HA -0.128 4.213 4.340 0.001 0.000 0.227 73 R C 2.225 178.551 176.300 0.044 0.000 1.103 73 R CA 0.999 57.131 56.100 0.054 0.000 0.983 73 R CB -0.065 30.245 30.300 0.017 0.000 0.874 73 R HN 0.315 nan 8.270 nan 0.000 0.451 74 K N 0.262 120.698 120.400 0.060 0.000 2.155 74 K HA -0.027 4.294 4.320 0.001 0.000 0.203 74 K C 1.920 178.541 176.600 0.036 0.000 1.052 74 K CA 0.950 57.267 56.287 0.049 0.000 0.948 74 K CB 0.060 32.612 32.500 0.087 0.000 0.728 74 K HN 0.143 nan 8.250 nan 0.000 0.448 75 I N 0.991 121.582 120.570 0.036 0.000 2.202 75 I HA -0.285 3.885 4.170 0.001 0.000 0.242 75 I C 2.528 178.604 176.117 -0.069 0.000 1.091 75 I CA 1.411 62.662 61.300 -0.081 0.000 1.368 75 I CB -0.413 37.514 38.000 -0.122 0.000 1.058 75 I HN 0.194 nan 8.210 nan 0.000 0.410 76 S N 1.354 117.063 115.700 0.015 0.000 2.402 76 S HA -0.112 4.359 4.470 0.001 0.000 0.229 76 S C 2.192 176.821 174.600 0.048 0.000 1.021 76 S CA 0.846 59.081 58.200 0.057 0.000 0.974 76 S CB -0.484 62.769 63.200 0.088 0.000 0.800 76 S HN 0.393 nan 8.310 nan 0.000 0.484 77 A N 1.795 124.633 122.820 0.029 0.000 1.930 77 A HA 0.263 4.583 4.320 0.001 0.000 0.217 77 A C 2.377 179.971 177.584 0.018 0.000 1.175 77 A CA 1.400 53.452 52.037 0.025 0.000 0.627 77 A CB -1.662 17.347 19.000 0.016 0.000 0.815 77 A HN 0.654 nan 8.150 nan 0.000 0.443 78 G N -0.070 108.728 108.800 -0.003 0.000 2.408 78 G HA2 -0.143 3.817 3.960 0.001 0.000 0.217 78 G HA3 -0.143 3.817 3.960 0.001 0.000 0.217 78 G C 1.503 176.403 174.900 -0.001 0.000 1.150 78 G CA 1.044 46.135 45.100 -0.016 0.000 0.776 78 G HN 0.473 nan 8.290 nan 0.000 0.542 79 I N 0.061 120.643 120.570 0.019 0.000 2.252 79 I HA -0.132 4.038 4.170 0.001 0.000 0.245 79 I C 3.030 179.200 176.117 0.089 0.000 1.102 79 I CA 0.843 62.203 61.300 0.099 0.000 1.385 79 I CB -0.175 37.959 38.000 0.223 0.000 1.064 79 I HN 0.087 nan 8.210 nan 0.000 0.414 80 R N 0.676 121.223 120.500 0.080 0.000 2.096 80 R HA -0.179 4.162 4.340 0.001 0.000 0.235 80 R C 2.091 178.416 176.300 0.042 0.000 1.127 80 R CA 1.354 57.494 56.100 0.067 0.000 0.968 80 R CB -0.333 30.004 30.300 0.062 0.000 0.861 80 R HN 0.449 nan 8.270 nan 0.000 0.440 81 E N 0.252 120.471 120.200 0.032 0.000 2.204 81 E HA -0.156 4.195 4.350 0.001 0.000 0.195 81 E C 1.061 177.671 176.600 0.017 0.000 0.990 81 E CA 0.950 57.363 56.400 0.021 0.000 0.821 81 E CB 0.120 29.830 29.700 0.017 0.000 0.750 81 E HN 0.248 nan 8.360 nan 0.000 0.477 82 R N -0.536 119.974 120.500 0.015 0.000 2.652 82 R HA 0.301 4.642 4.340 0.001 0.000 0.372 82 R C 1.343 177.635 176.300 -0.013 0.000 1.104 82 R CA 0.106 56.208 56.100 0.003 0.000 1.072 82 R CB 0.773 31.075 30.300 0.003 0.000 1.367 82 R HN 0.019 nan 8.270 nan 0.000 0.577 83 A N 1.451 124.270 122.820 -0.001 0.000 1.859 83 A HA -0.280 4.041 4.320 0.001 0.000 0.217 83 A C 2.205 179.768 177.584 -0.034 0.000 1.198 83 A CA 2.456 54.486 52.037 -0.013 0.000 0.629 83 A CB -0.684 18.330 19.000 0.023 0.000 0.830 83 A HN 0.434 nan 8.150 nan 0.000 0.446 84 S N -0.273 115.419 115.700 -0.014 0.000 2.370 84 S HA -0.259 4.212 4.470 0.001 0.000 0.226 84 S C 1.916 176.500 174.600 -0.026 0.000 1.033 84 S CA 1.602 59.794 58.200 -0.015 0.000 1.011 84 S CB -0.569 62.630 63.200 -0.003 0.000 0.852 84 S HN 0.714 nan 8.310 nan 0.000 0.457 85 E N 1.283 121.468 120.200 -0.026 0.000 2.051 85 E HA -0.143 4.208 4.350 0.001 0.000 0.192 85 E C 2.038 178.608 176.600 -0.051 0.000 0.991 85 E CA 1.523 57.908 56.400 -0.025 0.000 0.799 85 E CB -0.287 29.405 29.700 -0.014 0.000 0.748 85 E HN 0.691 nan 8.360 nan 0.000 0.449 86 I N 0.697 121.207 120.570 -0.100 0.000 2.315 86 I HA -0.210 3.960 4.170 0.001 0.000 0.248 86 I C 2.482 178.483 176.117 -0.193 0.000 1.117 86 I CA 0.733 61.913 61.300 -0.201 0.000 1.404 86 I CB -0.151 37.604 38.000 -0.409 0.000 1.071 86 I HN 0.068 nan 8.210 nan 0.000 0.419 87 S N 0.890 116.510 115.700 -0.134 0.000 2.382 87 S HA -0.137 4.334 4.470 0.001 0.000 0.228 87 S C 2.262 176.835 174.600 -0.044 0.000 1.027 87 S CA 1.314 59.465 58.200 -0.082 0.000 0.991 87 S CB -0.293 62.882 63.200 -0.041 0.000 0.823 87 S HN 0.544 nan 8.310 nan 0.000 0.469 88 A N 1.388 124.189 122.820 -0.032 0.000 1.930 88 A HA 0.052 4.373 4.320 0.001 0.000 0.217 88 A C 2.076 179.658 177.584 -0.002 0.000 1.175 88 A CA 0.953 52.983 52.037 -0.011 0.000 0.627 88 A CB -0.642 18.355 19.000 -0.005 0.000 0.815 88 A HN 0.449 nan 8.150 nan 0.000 0.443 89 L N -0.573 120.644 121.223 -0.010 0.000 2.046 89 L HA -0.176 4.165 4.340 0.001 0.000 0.208 89 L C 2.439 179.323 176.870 0.023 0.000 1.077 89 L CA 1.215 56.063 54.840 0.013 0.000 0.747 89 L CB -0.519 41.547 42.059 0.010 0.000 0.896 89 L HN 0.380 nan 8.230 nan 0.000 0.432 90 I N -1.022 119.548 120.570 0.001 0.000 2.252 90 I HA -0.231 3.939 4.170 0.001 0.000 0.245 90 I C 2.467 178.598 176.117 0.022 0.000 1.102 90 I CA 0.887 62.201 61.300 0.022 0.000 1.385 90 I CB -0.261 37.741 38.000 0.003 0.000 1.064 90 I HN 0.006 nan 8.210 nan 0.000 0.414 91 V N 0.964 120.884 119.914 0.009 0.000 2.287 91 V HA -0.324 3.797 4.120 0.001 0.000 0.248 91 V C 2.522 178.630 176.094 0.022 0.000 1.053 91 V CA 2.304 64.611 62.300 0.012 0.000 1.027 91 V CB -0.716 31.112 31.823 0.010 0.000 0.646 91 V HN 0.516 nan 8.190 nan 0.000 0.447 92 E N 0.494 120.709 120.200 0.026 0.000 2.058 92 E HA -0.283 4.067 4.350 0.001 0.000 0.194 92 E C 2.214 178.838 176.600 0.040 0.000 0.997 92 E CA 1.855 58.274 56.400 0.032 0.000 0.801 92 E CB -0.052 29.668 29.700 0.034 0.000 0.746 92 E HN 0.879 nan 8.360 nan 0.000 0.450 93 E N -1.354 118.879 120.200 0.055 0.000 2.251 93 E HA 0.034 4.385 4.350 0.001 0.000 0.194 93 E C 1.971 178.614 176.600 0.072 0.000 0.964 93 E CA 0.663 57.107 56.400 0.073 0.000 0.868 93 E CB 0.105 29.866 29.700 0.102 0.000 0.828 93 E HN 0.216 nan 8.360 nan 0.000 0.481 94 G N 0.664 109.507 108.800 0.071 0.000 2.683 94 G HA2 0.185 4.145 3.960 0.001 0.000 0.213 94 G HA3 0.185 4.145 3.960 0.001 0.000 0.213 94 G C 1.228 176.148 174.900 0.034 0.000 1.142 94 G CA 0.126 45.274 45.100 0.081 0.000 0.793 94 G HN 0.536 nan 8.290 nan 0.000 0.534 95 G N 0.329 109.138 108.800 0.014 0.000 2.153 95 G HA2 -0.294 3.667 3.960 0.001 0.000 0.252 95 G HA3 -0.294 3.667 3.960 0.001 0.000 0.252 95 G C 0.402 175.305 174.900 0.006 0.000 0.994 95 G CA 0.793 45.892 45.100 -0.002 0.000 0.698 95 G HN 0.947 nan 8.290 nan 0.000 0.521 96 K N 0.329 120.727 120.400 -0.003 0.000 2.098 96 K HA 0.725 5.045 4.320 0.001 0.000 0.261 96 K C 1.216 177.813 176.600 -0.004 0.000 0.987 96 K CA -0.815 55.459 56.287 -0.022 0.000 0.916 96 K CB 1.526 33.972 32.500 -0.089 0.000 1.039 96 K HN 0.670 nan 8.250 nan 0.000 0.455 97 I N -0.515 120.056 120.570 0.002 0.000 2.892 97 I HA -0.090 4.081 4.170 0.001 0.000 0.287 97 I C 0.915 177.034 176.117 0.002 0.000 1.205 97 I CA -0.365 60.942 61.300 0.013 0.000 1.409 97 I CB 0.557 38.568 38.000 0.019 0.000 1.367 97 I HN 0.769 nan 8.210 nan 0.000 0.597 98 Q N 2.605 122.410 119.800 0.009 0.000 2.096 98 Q HA -0.278 4.062 4.340 0.001 0.000 0.208 98 Q C 1.975 177.980 176.000 0.008 0.000 0.993 98 Q CA 2.413 58.221 55.803 0.007 0.000 0.862 98 Q CB -0.213 28.530 28.738 0.009 0.000 0.915 98 Q HN 0.758 nan 8.270 nan 0.000 0.416 99 Q N 0.165 119.970 119.800 0.008 0.000 2.124 99 Q HA -0.157 4.184 4.340 0.001 0.000 0.202 99 Q C 1.885 177.892 176.000 0.012 0.000 0.977 99 Q CA 1.043 56.853 55.803 0.012 0.000 0.850 99 Q CB -0.223 28.520 28.738 0.009 0.000 0.901 99 Q HN 0.252 nan 8.270 nan 0.000 0.429 100 L N 0.026 121.247 121.223 -0.003 0.000 2.109 100 L HA 0.017 4.357 4.340 0.001 0.000 0.207 100 L C 1.950 178.823 176.870 0.005 0.000 1.086 100 L CA 1.883 56.715 54.840 -0.013 0.000 0.760 100 L CB -0.940 41.087 42.059 -0.054 0.000 0.910 100 L HN 0.168 nan 8.230 nan 0.000 0.437 101 A N -0.763 122.056 122.820 -0.002 0.000 1.902 101 A HA -0.215 4.106 4.320 0.001 0.000 0.217 101 A C 2.174 179.781 177.584 0.038 0.000 1.181 101 A CA 1.764 53.807 52.037 0.010 0.000 0.623 101 A CB -0.601 18.395 19.000 -0.007 0.000 0.818 101 A HN 0.580 nan 8.150 nan 0.000 0.443 102 E N -0.470 119.751 120.200 0.035 0.000 2.110 102 E HA -0.122 4.229 4.350 0.001 0.000 0.193 102 E C 1.947 178.604 176.600 0.094 0.000 0.988 102 E CA 1.249 57.679 56.400 0.050 0.000 0.804 102 E CB -0.228 29.496 29.700 0.040 0.000 0.745 102 E HN 0.396 nan 8.360 nan 0.000 0.458 103 V N 1.326 121.298 119.914 0.098 0.000 2.427 103 V HA -0.236 3.885 4.120 0.001 0.000 0.248 103 V C 2.304 178.525 176.094 0.212 0.000 1.051 103 V CA 1.774 64.157 62.300 0.139 0.000 1.048 103 V CB -0.353 31.527 31.823 0.094 0.000 0.666 103 V HN 0.282 nan 8.190 nan 0.000 0.456 104 E N -0.007 120.318 120.200 0.208 0.000 2.077 104 E HA -0.185 4.166 4.350 0.001 0.000 0.193 104 E C 2.208 179.062 176.600 0.424 0.000 0.989 104 E CA 1.605 58.200 56.400 0.324 0.000 0.800 104 E CB 0.039 29.936 29.700 0.329 0.000 0.746 104 E HN 0.438 nan 8.360 nan 0.000 0.452 105 V N 1.159 121.253 119.914 0.299 0.000 2.307 105 V HA -0.244 3.877 4.120 0.001 0.000 0.245 105 V C 2.452 178.750 176.094 0.340 0.000 1.045 105 V CA 1.786 64.272 62.300 0.309 0.000 1.024 105 V CB -0.757 31.094 31.823 0.047 0.000 0.651 105 V HN 0.410 nan 8.190 nan 0.000 0.449 106 A N -0.477 122.497 122.820 0.257 0.000 1.877 106 A HA -0.244 4.077 4.320 0.001 0.000 0.216 106 A C 2.129 179.879 177.584 0.277 0.000 1.186 106 A CA 2.038 54.212 52.037 0.228 0.000 0.620 106 A CB -0.759 18.351 19.000 0.182 0.000 0.822 106 A HN 0.514 nan 8.150 nan 0.000 0.443 107 F N 1.370 121.420 119.950 0.167 0.000 2.171 107 F HA -0.148 4.380 4.527 0.001 0.000 0.300 107 F C 2.467 178.402 175.800 0.224 0.000 1.090 107 F CA 2.192 60.274 58.000 0.136 0.000 1.293 107 F CB -0.547 38.478 39.000 0.043 0.000 1.013 107 F HN 0.208 nan 8.300 nan 0.000 0.486 108 T N 0.335 115.150 114.554 0.435 0.000 2.746 108 T HA -0.173 4.177 4.350 0.001 0.000 0.267 108 T C 2.200 177.089 174.700 0.315 0.000 1.039 108 T CA 1.367 63.736 62.100 0.448 0.000 1.142 108 T CB -0.739 68.465 68.868 0.560 0.000 0.866 108 T HN 0.365 nan 8.240 nan 0.000 0.444 109 A N 1.782 124.771 122.820 0.283 0.000 1.930 109 A HA -0.115 4.206 4.320 0.001 0.000 0.217 109 A C 2.100 179.764 177.584 0.134 0.000 1.175 109 A CA 1.553 53.713 52.037 0.206 0.000 0.627 109 A CB -0.513 18.596 19.000 0.183 0.000 0.815 109 A HN 0.329 nan 8.150 nan 0.000 0.443 110 D N -1.710 118.734 120.400 0.074 0.000 2.144 110 D HA -0.129 4.512 4.640 0.001 0.000 0.200 110 D C 1.643 177.939 176.300 -0.008 0.000 0.978 110 D CA 1.289 55.289 54.000 -0.000 0.000 0.833 110 D CB -0.420 40.337 40.800 -0.071 0.000 0.961 110 D HN 0.594 nan 8.370 nan 0.000 0.470 111 Y N 1.375 121.551 120.300 -0.206 0.000 2.145 111 Y HA -0.150 4.401 4.550 0.001 0.000 0.286 111 Y C 2.236 178.207 175.900 0.118 0.000 1.145 111 Y CA 1.254 59.297 58.100 -0.095 0.000 1.148 111 Y CB -0.262 38.157 38.460 -0.069 0.000 0.981 111 Y HN -0.110 nan 8.280 nan 0.000 0.507 112 I N -0.059 120.707 120.570 0.327 0.000 2.208 112 I HA -0.341 3.830 4.170 0.001 0.000 0.245 112 I C 1.931 178.123 176.117 0.123 0.000 1.097 112 I CA 1.648 63.094 61.300 0.244 0.000 1.363 112 I CB -0.448 37.685 38.000 0.222 0.000 1.051 112 I HN 0.245 nan 8.210 nan 0.000 0.413 113 D N 0.050 120.506 120.400 0.092 0.000 2.117 113 D HA -0.235 4.405 4.640 0.001 0.000 0.197 113 D C 1.927 178.220 176.300 -0.012 0.000 0.987 113 D CA 1.348 55.371 54.000 0.038 0.000 0.829 113 D CB -0.404 40.416 40.800 0.033 0.000 0.961 113 D HN 0.393 nan 8.370 nan 0.000 0.460 114 Y N 1.037 121.258 120.300 -0.132 0.000 2.165 114 Y HA -0.221 4.330 4.550 0.001 0.000 0.286 114 Y C 2.166 177.942 175.900 -0.206 0.000 1.155 114 Y CA 1.529 59.501 58.100 -0.212 0.000 1.164 114 Y CB -0.199 38.095 38.460 -0.277 0.000 0.978 114 Y HN -0.166 nan 8.280 nan 0.000 0.513 115 M N 0.120 119.572 119.600 -0.246 0.000 2.229 115 M HA -0.109 4.372 4.480 0.001 0.000 0.264 115 M C 2.444 178.715 176.300 -0.048 0.000 1.063 115 M CA 1.470 56.690 55.300 -0.133 0.000 1.114 115 M CB -1.561 31.063 32.600 0.041 0.000 1.387 115 M HN 0.514 nan 8.290 nan 0.000 0.420 116 A N 0.243 123.038 122.820 -0.041 0.000 2.019 116 A HA -0.166 4.155 4.320 0.001 0.000 0.219 116 A C 1.916 179.466 177.584 -0.056 0.000 1.164 116 A CA 1.470 53.510 52.037 0.005 0.000 0.644 116 A CB -0.700 18.313 19.000 0.022 0.000 0.805 116 A HN 0.601 nan 8.150 nan 0.000 0.449 117 E N -1.550 118.522 120.200 -0.213 0.000 2.409 117 E HA -0.197 4.154 4.350 0.001 0.000 0.198 117 E C 1.282 177.704 176.600 -0.296 0.000 1.024 117 E CA 0.693 56.915 56.400 -0.297 0.000 0.861 117 E CB -0.212 29.217 29.700 -0.452 0.000 0.788 117 E HN 0.912 nan 8.360 nan 0.000 0.521 118 W N 0.886 122.091 121.300 -0.158 0.000 2.800 118 W HA 0.033 4.694 4.660 0.001 0.000 0.249 118 W C 2.418 178.997 176.519 0.100 0.000 1.294 118 W CA 0.307 57.621 57.345 -0.052 0.000 1.402 118 W CB 0.076 29.498 29.460 -0.062 0.000 1.126 118 W HN 0.093 nan 8.180 nan 0.000 0.652 119 A N 1.322 124.297 122.820 0.258 0.000 1.894 119 A HA -0.296 4.025 4.320 0.001 0.000 0.220 119 A C 1.825 179.458 177.584 0.081 0.000 1.237 119 A CA 2.103 54.264 52.037 0.205 0.000 0.660 119 A CB -0.724 18.325 19.000 0.082 0.000 0.835 119 A HN 0.382 nan 8.150 nan 0.000 0.461 120 R N -1.437 119.077 120.500 0.024 0.000 2.388 120 R HA 0.245 4.586 4.340 0.001 0.000 0.247 120 R C 1.453 177.737 176.300 -0.026 0.000 0.931 120 R CA 0.163 56.234 56.100 -0.049 0.000 1.082 120 R CB 0.196 30.468 30.300 -0.048 0.000 1.135 120 R HN 0.503 nan 8.270 nan 0.000 0.525 121 R N -0.378 120.179 120.500 0.096 0.000 2.369 121 R HA 0.083 4.424 4.340 0.001 0.000 0.210 121 R C -0.249 176.226 176.300 0.291 0.000 0.881 121 R CA -0.153 56.070 56.100 0.204 0.000 1.031 121 R CB 0.377 30.855 30.300 0.296 0.000 1.184 121 R HN 0.160 nan 8.270 nan 0.000 0.581 122 Y N 2.866 123.296 120.300 0.217 0.000 2.465 122 Y HA 0.200 4.751 4.550 0.001 0.000 0.331 122 Y C -0.113 175.816 175.900 0.049 0.000 1.102 122 Y CA -1.031 57.134 58.100 0.107 0.000 1.358 122 Y CB 0.212 38.697 38.460 0.041 0.000 1.213 122 Y HN -0.000 nan 8.280 nan 0.000 0.525 123 E N 3.164 123.429 120.200 0.109 0.000 2.227 123 E HA 0.692 5.043 4.350 0.001 0.000 0.268 123 E C -0.370 176.211 176.600 -0.032 0.000 0.907 123 E CA -1.212 55.181 56.400 -0.013 0.000 0.786 123 E CB 1.926 31.615 29.700 -0.020 0.000 1.191 123 E HN 0.860 nan 8.360 nan 0.000 0.411 124 G N 1.494 110.245 108.800 -0.081 0.000 2.525 124 G HA2 0.432 4.393 3.960 0.001 0.000 0.287 124 G HA3 0.432 4.393 3.960 0.001 0.000 0.287 124 G C -0.709 174.097 174.900 -0.156 0.000 1.350 124 G CA -0.522 44.505 45.100 -0.123 0.000 1.039 124 G HN 0.622 nan 8.290 nan 0.000 0.513 125 E N -1.610 118.471 120.200 -0.199 0.000 2.393 125 E HA 0.483 4.834 4.350 0.001 0.000 0.273 125 E C -1.151 175.318 176.600 -0.218 0.000 0.918 125 E CA -0.599 55.698 56.400 -0.172 0.000 0.773 125 E CB 2.864 32.492 29.700 -0.120 0.000 1.275 125 E HN 0.265 nan 8.360 nan 0.000 0.451 126 I N 2.680 123.147 120.570 -0.171 0.000 2.382 126 I HA 0.375 4.546 4.170 0.001 0.000 0.286 126 I C -0.730 175.314 176.117 -0.121 0.000 1.002 126 I CA -0.501 60.699 61.300 -0.166 0.000 1.135 126 I CB 0.847 38.760 38.000 -0.145 0.000 1.288 126 I HN 0.286 nan 8.210 nan 0.000 0.448 127 I N 5.515 126.009 120.570 -0.127 0.000 2.412 127 I HA 0.242 4.412 4.170 0.001 0.000 0.296 127 I C 0.068 176.142 176.117 -0.072 0.000 0.987 127 I CA -0.955 60.289 61.300 -0.094 0.000 1.180 127 I CB 1.271 39.209 38.000 -0.104 0.000 1.340 127 I HN 0.427 nan 8.210 nan 0.000 0.455 128 Q N 3.738 123.511 119.800 -0.045 0.000 2.300 128 Q HA 0.122 4.462 4.340 0.001 0.000 0.280 128 Q C -0.087 175.905 176.000 -0.012 0.000 1.033 128 Q CA 0.256 56.043 55.803 -0.027 0.000 0.903 128 Q CB 1.263 29.990 28.738 -0.018 0.000 1.195 128 Q HN 0.693 nan 8.270 nan 0.000 0.386 129 S N 1.218 116.919 115.700 0.000 0.000 2.651 129 S HA 0.240 4.710 4.470 0.001 0.000 0.291 129 S C 0.085 174.701 174.600 0.028 0.000 1.141 129 S CA -0.673 57.544 58.200 0.028 0.000 1.027 129 S CB 0.862 64.090 63.200 0.046 0.000 1.043 129 S HN 0.397 nan 8.310 nan 0.000 0.530 130 D N 1.221 121.644 120.400 0.038 0.000 2.348 130 D HA 0.141 4.782 4.640 0.001 0.000 0.211 130 D C 0.206 176.521 176.300 0.025 0.000 0.998 130 D CA 0.590 54.606 54.000 0.027 0.000 0.873 130 D CB 0.139 40.954 40.800 0.026 0.000 0.925 130 D HN 0.399 nan 8.370 nan 0.000 0.524 131 R N 1.203 121.724 120.500 0.035 0.000 2.297 131 R HA 0.366 4.707 4.340 0.001 0.000 0.308 131 R C -2.464 173.851 176.300 0.025 0.000 1.029 131 R CA -1.720 54.398 56.100 0.030 0.000 0.929 131 R CB 0.751 31.075 30.300 0.040 0.000 1.046 131 R HN -0.113 nan 8.270 nan 0.000 0.461 132 P HA -0.018 nan 4.420 nan 0.000 0.264 132 P C 0.629 177.938 177.300 0.016 0.000 1.193 132 P CA 0.783 63.891 63.100 0.013 0.000 0.763 132 P CB 0.671 32.377 31.700 0.010 0.000 0.810 133 G N 1.632 110.440 108.800 0.013 0.000 2.184 133 G HA2 -0.285 3.676 3.960 0.001 0.000 0.264 133 G HA3 -0.285 3.676 3.960 0.001 0.000 0.264 133 G C 0.140 175.052 174.900 0.020 0.000 0.975 133 G CA 0.120 45.228 45.100 0.014 0.000 0.642 133 G HN 0.643 nan 8.290 nan 0.000 0.536 134 E N 0.418 120.634 120.200 0.027 0.000 2.231 134 E HA 0.474 4.825 4.350 0.001 0.000 0.277 134 E C -0.524 176.090 176.600 0.022 0.000 0.999 134 E CA -0.921 55.503 56.400 0.040 0.000 0.827 134 E CB 0.456 30.197 29.700 0.069 0.000 1.101 134 E HN 0.191 nan 8.360 nan 0.000 0.393 135 N N 4.283 122.992 118.700 0.015 0.000 2.392 135 N HA 0.346 5.087 4.740 0.001 0.000 0.283 135 N C -0.834 174.641 175.510 -0.059 0.000 1.003 135 N CA -0.381 52.655 53.050 -0.022 0.000 0.892 135 N CB 1.426 39.900 38.487 -0.022 0.000 1.193 135 N HN 0.465 nan 8.380 nan 0.000 0.487 136 I N 3.340 123.837 120.570 -0.123 0.000 2.307 136 I HA 0.299 4.469 4.170 0.001 0.000 0.289 136 I C -0.323 175.649 176.117 -0.242 0.000 1.021 136 I CA -0.481 60.660 61.300 -0.265 0.000 1.224 136 I CB 0.817 38.626 38.000 -0.318 0.000 1.376 136 I HN 0.192 nan 8.210 nan 0.000 0.470 137 L N 7.474 128.558 121.223 -0.232 0.000 2.305 137 L HA 0.521 4.861 4.340 0.001 0.000 0.284 137 L C -0.504 176.191 176.870 -0.292 0.000 1.013 137 L CA -0.508 54.150 54.840 -0.303 0.000 0.819 137 L CB 1.867 43.750 42.059 -0.294 0.000 1.227 137 L HN 0.518 nan 8.230 nan 0.000 0.417 138 L N 4.009 125.029 121.223 -0.339 0.000 2.277 138 L HA 0.536 4.877 4.340 0.001 0.000 0.284 138 L C -1.007 175.733 176.870 -0.218 0.000 1.028 138 L CA -0.188 54.541 54.840 -0.186 0.000 0.835 138 L CB 0.373 42.344 42.059 -0.147 0.000 1.215 138 L HN 0.314 nan 8.230 nan 0.000 0.425 139 F N 3.702 123.621 119.950 -0.053 0.000 2.399 139 F HA 0.493 5.021 4.527 0.001 0.000 0.328 139 F C 0.327 176.116 175.800 -0.019 0.000 1.084 139 F CA -0.690 57.291 58.000 -0.032 0.000 1.053 139 F CB 0.951 39.938 39.000 -0.020 0.000 1.209 139 F HN 0.234 nan 8.300 nan 0.000 0.502 140 K N 3.364 123.891 120.400 0.212 0.000 2.316 140 K HA 0.416 4.736 4.320 0.001 0.000 0.267 140 K C -0.348 176.361 176.600 0.181 0.000 1.025 140 K CA -0.576 55.796 56.287 0.141 0.000 0.896 140 K CB 1.323 33.914 32.500 0.151 0.000 1.124 140 K HN 0.507 nan 8.250 nan 0.000 0.451 141 R N 0.580 121.142 120.500 0.104 0.000 2.828 141 R HA 0.557 4.897 4.340 0.001 0.000 0.264 141 R C -0.068 176.265 176.300 0.055 0.000 1.022 141 R CA -1.021 55.130 56.100 0.085 0.000 1.021 141 R CB 1.082 31.412 30.300 0.051 0.000 1.163 141 R HN 0.623 nan 8.270 nan 0.000 0.494 142 A N 1.242 124.099 122.820 0.062 0.000 2.366 142 A HA 0.259 4.580 4.320 0.001 0.000 0.249 142 A C 1.462 179.084 177.584 0.063 0.000 1.084 142 A CA -0.278 51.801 52.037 0.070 0.000 0.794 142 A CB 0.186 19.245 19.000 0.098 0.000 1.034 142 A HN 0.713 nan 8.150 nan 0.000 0.491 143 L N 0.868 122.137 121.223 0.075 0.000 2.095 143 L HA 0.245 4.586 4.340 0.001 0.000 0.204 143 L C 1.720 178.624 176.870 0.057 0.000 1.080 143 L CA 1.210 56.081 54.840 0.052 0.000 0.759 143 L CB -0.799 41.287 42.059 0.045 0.000 0.914 143 L HN 1.095 nan 8.230 nan 0.000 0.439 144 G N -0.732 108.119 108.800 0.084 0.000 2.055 144 G HA2 -0.157 3.803 3.960 0.001 0.000 0.160 144 G HA3 -0.157 3.803 3.960 0.001 0.000 0.160 144 G C -0.786 174.162 174.900 0.080 0.000 1.087 144 G CA -0.325 44.821 45.100 0.076 0.000 1.269 144 G HN -0.149 nan 8.290 nan 0.000 0.461 145 V N 2.634 122.578 119.914 0.050 0.000 2.407 145 V HA 0.642 4.763 4.120 0.001 0.000 0.278 145 V C 0.807 176.926 176.094 0.041 0.000 1.037 145 V CA 0.570 62.890 62.300 0.033 0.000 0.900 145 V CB 0.765 32.591 31.823 0.005 0.000 0.983 145 V HN 1.304 nan 8.190 nan 0.000 0.459 146 T N 1.064 115.651 114.554 0.056 0.000 2.930 146 T HA 0.833 5.183 4.350 0.001 0.000 0.290 146 T C -0.302 174.419 174.700 0.035 0.000 1.052 146 T CA -0.527 61.620 62.100 0.078 0.000 1.017 146 T CB 2.113 71.106 68.868 0.208 0.000 1.137 146 T HN 0.758 nan 8.240 nan 0.000 0.511 147 T N -1.833 112.739 114.554 0.030 0.000 2.906 147 T HA 0.810 5.161 4.350 0.001 0.000 0.295 147 T C -0.125 174.579 174.700 0.007 0.000 1.061 147 T CA -0.874 61.220 62.100 -0.009 0.000 1.000 147 T CB 1.636 70.487 68.868 -0.029 0.000 1.103 147 T HN 1.208 nan 8.240 nan 0.000 0.486 148 G N 1.069 109.854 108.800 -0.026 0.000 2.643 148 G HA2 0.653 4.613 3.960 0.001 0.000 0.305 148 G HA3 0.653 4.613 3.960 0.001 0.000 0.305 148 G C -1.135 173.742 174.900 -0.039 0.000 1.387 148 G CA -0.890 44.199 45.100 -0.018 0.000 0.982 148 G HN 0.896 nan 8.290 nan 0.000 0.501 149 I N 2.842 123.398 120.570 -0.024 0.000 2.382 149 I HA 0.328 4.499 4.170 0.001 0.000 0.286 149 I C -0.225 175.882 176.117 -0.017 0.000 1.002 149 I CA -0.547 60.739 61.300 -0.023 0.000 1.135 149 I CB 1.618 39.611 38.000 -0.013 0.000 1.288 149 I HN 0.129 nan 8.210 nan 0.000 0.448 150 L N 7.969 129.182 121.223 -0.016 0.000 2.360 150 L HA 0.628 4.969 4.340 0.001 0.000 0.271 150 L C -2.238 174.642 176.870 0.018 0.000 1.057 150 L CA -1.777 53.057 54.840 -0.010 0.000 0.803 150 L CB 1.061 43.111 42.059 -0.015 0.000 1.207 150 L HN 0.325 nan 8.230 nan 0.000 0.445 151 P HA 0.100 nan 4.420 nan 0.000 0.281 151 P C -0.180 177.114 177.300 -0.010 0.000 1.281 151 P CA -0.558 62.493 63.100 -0.082 0.000 0.811 151 P CB 0.863 32.434 31.700 -0.216 0.000 1.154 152 W N -0.712 120.691 121.300 0.171 0.000 3.139 152 W HA 0.162 4.823 4.660 0.001 0.000 0.260 152 W C -0.061 176.528 176.519 0.116 0.000 1.312 152 W CA -0.149 57.295 57.345 0.166 0.000 1.606 152 W CB -1.397 28.198 29.460 0.225 0.000 1.118 152 W HN 0.221 nan 8.180 nan 0.000 0.675 153 N N 1.144 119.655 118.700 -0.316 0.000 2.414 153 N HA 0.138 4.879 4.740 0.001 0.000 0.256 153 N C -0.465 175.116 175.510 0.119 0.000 1.029 153 N CA -0.452 52.480 53.050 -0.197 0.000 0.948 153 N CB -0.213 38.001 38.487 -0.455 0.000 1.102 153 N HN 0.077 nan 8.380 nan 0.000 0.496 154 F N 2.166 122.160 119.950 0.074 0.000 2.983 154 F HA -0.198 4.329 4.527 0.001 0.000 0.288 154 F C -1.214 174.684 175.800 0.163 0.000 0.980 154 F CA 0.169 58.261 58.000 0.153 0.000 0.965 154 F CB -1.072 38.039 39.000 0.185 0.000 0.967 154 F HN 0.583 nan 8.300 nan 0.000 0.800 155 P HA -0.232 nan 4.420 nan 0.000 0.217 155 P C 1.750 179.192 177.300 0.237 0.000 1.150 155 P CA 1.530 64.759 63.100 0.214 0.000 0.832 155 P CB -0.019 31.813 31.700 0.220 0.000 0.787 156 F N 0.254 120.309 119.950 0.175 0.000 2.098 156 F HA -0.109 4.419 4.527 0.001 0.000 0.294 156 F C 2.327 178.248 175.800 0.202 0.000 1.107 156 F CA 1.041 59.150 58.000 0.183 0.000 1.234 156 F CB -1.139 37.996 39.000 0.226 0.000 1.002 156 F HN -0.245 nan 8.300 nan 0.000 0.472 157 F N 0.922 121.010 119.950 0.229 0.000 2.095 157 F HA -0.207 4.320 4.527 0.001 0.000 0.298 157 F C 1.881 177.636 175.800 -0.075 0.000 1.104 157 F CA 1.711 59.771 58.000 0.101 0.000 1.232 157 F CB -1.059 38.089 39.000 0.248 0.000 0.987 157 F HN -0.027 nan 8.300 nan 0.000 0.475 158 L N -0.025 120.970 121.223 -0.379 0.000 2.349 158 L HA -0.230 4.111 4.340 0.001 0.000 0.220 158 L C 2.402 179.030 176.870 -0.403 0.000 1.130 158 L CA 0.851 55.389 54.840 -0.503 0.000 0.791 158 L CB -0.586 41.354 42.059 -0.197 0.000 0.918 158 L HN 0.245 nan 8.230 nan 0.000 0.444 159 I N -0.575 119.767 120.570 -0.380 0.000 2.179 159 I HA -0.287 3.883 4.170 0.001 0.000 0.242 159 I C 2.716 178.565 176.117 -0.446 0.000 1.088 159 I CA 1.281 62.312 61.300 -0.447 0.000 1.357 159 I CB -0.443 37.103 38.000 -0.757 0.000 1.051 159 I HN 0.220 nan 8.210 nan 0.000 0.409 160 A N 0.638 123.190 122.820 -0.448 0.000 1.929 160 A HA -0.208 4.113 4.320 0.001 0.000 0.216 160 A C 2.410 179.874 177.584 -0.201 0.000 1.176 160 A CA 1.403 53.306 52.037 -0.223 0.000 0.628 160 A CB -0.622 18.353 19.000 -0.041 0.000 0.816 160 A HN 0.346 nan 8.150 nan 0.000 0.444 161 R N -0.147 120.002 120.500 -0.585 0.000 2.159 161 R HA -0.162 4.179 4.340 0.001 0.000 0.237 161 R C 1.698 177.948 176.300 -0.084 0.000 1.131 161 R CA 1.949 57.750 56.100 -0.498 0.000 0.982 161 R CB -0.115 29.658 30.300 -0.878 0.000 0.868 161 R HN 0.553 nan 8.270 nan 0.000 0.453 162 K N -0.584 119.742 120.400 -0.124 0.000 2.240 162 K HA 0.015 4.336 4.320 0.001 0.000 0.202 162 K C 2.031 178.551 176.600 -0.133 0.000 1.053 162 K CA 0.896 57.165 56.287 -0.029 0.000 0.973 162 K CB -0.005 32.497 32.500 0.004 0.000 0.924 162 K HN 0.141 nan 8.250 nan 0.000 0.477 163 M N 0.639 120.181 119.600 -0.096 0.000 2.200 163 M HA 0.144 4.625 4.480 0.001 0.000 0.265 163 M C 2.128 178.416 176.300 -0.020 0.000 1.066 163 M CA 1.721 56.997 55.300 -0.041 0.000 1.127 163 M CB -0.414 32.221 32.600 0.060 0.000 1.379 163 M HN -0.007 nan 8.290 nan 0.000 0.420 164 A N 1.144 123.985 122.820 0.035 0.000 1.858 164 A HA 0.002 4.323 4.320 0.001 0.000 0.216 164 A C 0.134 177.733 177.584 0.026 0.000 1.190 164 A CA 1.647 53.748 52.037 0.107 0.000 0.617 164 A CB -2.133 17.002 19.000 0.226 0.000 0.827 164 A HN 0.516 nan 8.150 nan 0.000 0.443 165 P HA -0.082 nan 4.420 nan 0.000 0.216 165 P C 1.733 178.792 177.300 -0.401 0.000 1.153 165 P CA 1.891 64.886 63.100 -0.175 0.000 0.848 165 P CB -0.143 31.469 31.700 -0.147 0.000 0.787 166 A N -0.641 121.721 122.820 -0.763 0.000 1.865 166 A HA -0.185 4.136 4.320 0.001 0.000 0.217 166 A C 2.088 179.648 177.584 -0.040 0.000 1.191 166 A CA 1.691 53.372 52.037 -0.593 0.000 0.623 166 A CB -1.694 17.016 19.000 -0.483 0.000 0.826 166 A HN 0.074 nan 8.150 nan 0.000 0.444 167 L N -0.497 120.776 121.223 0.083 0.000 2.093 167 L HA -0.093 4.248 4.340 0.001 0.000 0.208 167 L C 2.394 179.513 176.870 0.416 0.000 1.085 167 L CA 1.113 56.198 54.840 0.408 0.000 0.755 167 L CB -0.738 41.554 42.059 0.389 0.000 0.904 167 L HN 0.435 nan 8.230 nan 0.000 0.435 168 L N -0.093 121.251 121.223 0.201 0.000 2.042 168 L HA -0.211 4.130 4.340 0.001 0.000 0.210 168 L C 2.197 179.106 176.870 0.065 0.000 1.076 168 L CA 2.559 57.481 54.840 0.136 0.000 0.749 168 L CB -1.100 41.025 42.059 0.109 0.000 0.893 168 L HN 0.564 nan 8.230 nan 0.000 0.432 169 T N -3.448 111.098 114.554 -0.013 0.000 3.148 169 T HA 0.255 4.605 4.350 0.001 0.000 0.253 169 T C 1.308 176.020 174.700 0.020 0.000 1.134 169 T CA 0.525 62.553 62.100 -0.120 0.000 1.051 169 T CB -0.085 68.655 68.868 -0.213 0.000 0.959 169 T HN 0.618 nan 8.240 nan 0.000 0.525 170 G N 1.176 110.029 108.800 0.089 0.000 2.144 170 G HA2 -0.202 3.759 3.960 0.001 0.000 0.218 170 G HA3 -0.202 3.759 3.960 0.001 0.000 0.218 170 G C -0.143 174.962 174.900 0.342 0.000 0.988 170 G CA -0.403 44.757 45.100 0.099 0.000 0.659 170 G HN 0.573 nan 8.290 nan 0.000 0.522 171 N N 0.710 119.617 118.700 0.345 0.000 2.476 171 N HA 0.610 5.350 4.740 0.001 0.000 0.275 171 N C 0.471 176.129 175.510 0.248 0.000 1.190 171 N CA 0.639 53.853 53.050 0.273 0.000 0.977 171 N CB 1.311 39.930 38.487 0.220 0.000 1.200 171 N HN 0.486 nan 8.380 nan 0.000 0.515 172 T N -2.058 112.552 114.554 0.093 0.000 2.950 172 T HA 0.761 5.112 4.350 0.001 0.000 0.288 172 T C 0.045 174.719 174.700 -0.043 0.000 1.035 172 T CA -0.743 61.309 62.100 -0.080 0.000 1.028 172 T CB 1.606 70.408 68.868 -0.111 0.000 1.109 172 T HN 0.458 nan 8.240 nan 0.000 0.514 173 I N 0.313 120.824 120.570 -0.098 0.000 2.913 173 I HA 0.632 4.803 4.170 0.001 0.000 0.302 173 I C -1.818 174.180 176.117 -0.199 0.000 1.246 173 I CA -1.310 59.934 61.300 -0.092 0.000 1.010 173 I CB 2.281 40.253 38.000 -0.047 0.000 1.259 173 I HN 0.573 nan 8.210 nan 0.000 0.434 174 V N 7.007 126.811 119.914 -0.183 0.000 2.483 174 V HA 0.506 4.627 4.120 0.001 0.000 0.297 174 V C -0.325 175.635 176.094 -0.224 0.000 1.027 174 V CA -0.399 61.758 62.300 -0.238 0.000 0.855 174 V CB 1.588 33.318 31.823 -0.154 0.000 0.995 174 V HN 0.426 nan 8.190 nan 0.000 0.424 175 I N 4.262 124.642 120.570 -0.316 0.000 2.493 175 I HA 0.528 4.698 4.170 0.001 0.000 0.298 175 I C -0.125 175.898 176.117 -0.156 0.000 0.998 175 I CA -0.602 60.566 61.300 -0.220 0.000 1.137 175 I CB 1.993 39.843 38.000 -0.249 0.000 1.310 175 I HN 0.495 nan 8.210 nan 0.000 0.445 176 K N 7.778 128.118 120.400 -0.100 0.000 2.483 176 K HA 0.508 4.829 4.320 0.001 0.000 0.256 176 K C -2.709 173.863 176.600 -0.047 0.000 0.961 176 K CA -1.675 54.567 56.287 -0.075 0.000 0.873 176 K CB 1.702 34.160 32.500 -0.070 0.000 1.107 176 K HN 0.135 nan 8.250 nan 0.000 0.432 177 P HA 0.012 nan 4.420 nan 0.000 0.274 177 P C -0.652 176.652 177.300 0.006 0.000 1.256 177 P CA -0.518 62.586 63.100 0.006 0.000 0.795 177 P CB 0.908 32.627 31.700 0.032 0.000 1.038 178 S N 0.056 115.789 115.700 0.055 0.000 2.562 178 S HA 0.003 4.474 4.470 0.001 0.000 0.281 178 S C 1.341 175.920 174.600 -0.036 0.000 1.333 178 S CA -0.261 57.971 58.200 0.054 0.000 1.052 178 S CB -0.130 63.223 63.200 0.255 0.000 0.884 178 S HN 0.546 nan 8.310 nan 0.000 0.506 179 E N 3.168 123.228 120.200 -0.233 0.000 2.333 179 E HA -0.148 4.203 4.350 0.001 0.000 0.198 179 E C 0.632 177.097 176.600 -0.226 0.000 1.007 179 E CA 1.156 57.390 56.400 -0.276 0.000 0.845 179 E CB -0.356 29.102 29.700 -0.404 0.000 0.766 179 E HN 0.764 nan 8.360 nan 0.000 0.507 180 F N 2.045 122.034 119.950 0.066 0.000 2.512 180 F HA 0.082 4.610 4.527 0.001 0.000 0.296 180 F C 1.332 177.177 175.800 0.075 0.000 1.110 180 F CA 0.991 59.010 58.000 0.032 0.000 1.446 180 F CB 0.292 39.263 39.000 -0.048 0.000 1.092 180 F HN 0.013 nan 8.300 nan 0.000 0.554 181 T N -2.773 111.939 114.554 0.264 0.000 3.732 181 T HA 0.264 4.615 4.350 0.001 0.000 0.234 181 T C -2.101 172.691 174.700 0.153 0.000 1.146 181 T CA -1.198 61.031 62.100 0.216 0.000 1.454 181 T CB 0.944 69.974 68.868 0.271 0.000 0.910 181 T HN -0.080 nan 8.240 nan 0.000 0.640 182 P HA 0.093 nan 4.420 nan 0.000 0.239 182 P C 0.930 178.238 177.300 0.013 0.000 1.188 182 P CA 0.258 63.394 63.100 0.059 0.000 0.794 182 P CB 0.330 32.051 31.700 0.035 0.000 0.937 183 N N 2.060 120.776 118.700 0.025 0.000 2.069 183 N HA -0.183 4.557 4.740 0.001 0.000 0.191 183 N C 1.556 177.090 175.510 0.041 0.000 1.031 183 N CA 1.964 55.000 53.050 -0.024 0.000 0.852 183 N CB -1.392 37.147 38.487 0.086 0.000 1.018 183 N HN 0.424 nan 8.380 nan 0.000 0.423 184 N N 0.577 119.352 118.700 0.125 0.000 2.289 184 N HA -0.047 4.694 4.740 0.001 0.000 0.184 184 N C 1.515 177.244 175.510 0.365 0.000 1.016 184 N CA 1.378 54.561 53.050 0.221 0.000 0.872 184 N CB -0.294 38.356 38.487 0.272 0.000 0.973 184 N HN 0.193 nan 8.380 nan 0.000 0.433 185 A N 0.756 123.730 122.820 0.255 0.000 1.929 185 A HA 0.062 4.383 4.320 0.001 0.000 0.216 185 A C 2.148 179.893 177.584 0.267 0.000 1.176 185 A CA 0.723 52.911 52.037 0.252 0.000 0.628 185 A CB -0.423 18.663 19.000 0.145 0.000 0.816 185 A HN 0.276 nan 8.150 nan 0.000 0.444 186 I N 0.146 120.794 120.570 0.131 0.000 2.226 186 I HA -0.232 3.939 4.170 0.001 0.000 0.245 186 I C 2.917 179.147 176.117 0.189 0.000 1.100 186 I CA 1.451 62.815 61.300 0.107 0.000 1.374 186 I CB -1.500 36.360 38.000 -0.233 0.000 1.057 186 I HN 0.366 nan 8.210 nan 0.000 0.413 187 A N 0.347 123.272 122.820 0.174 0.000 1.933 187 A HA -0.264 4.056 4.320 0.001 0.000 0.218 187 A C 2.287 180.015 177.584 0.239 0.000 1.175 187 A CA 1.370 53.514 52.037 0.177 0.000 0.628 187 A CB -1.041 18.044 19.000 0.141 0.000 0.814 187 A HN 0.373 nan 8.150 nan 0.000 0.444 188 F N 0.916 120.997 119.950 0.218 0.000 2.134 188 F HA -0.041 4.486 4.527 0.001 0.000 0.299 188 F C 2.499 178.261 175.800 -0.063 0.000 1.097 188 F CA 1.067 59.140 58.000 0.122 0.000 1.264 188 F CB -0.380 38.657 39.000 0.062 0.000 1.001 188 F HN 0.242 nan 8.300 nan 0.000 0.479 189 A N 0.122 123.124 122.820 0.302 0.000 1.933 189 A HA -0.188 4.132 4.320 0.001 0.000 0.218 189 A C 2.246 179.764 177.584 -0.111 0.000 1.175 189 A CA 1.699 53.778 52.037 0.070 0.000 0.628 189 A CB -0.623 18.517 19.000 0.234 0.000 0.814 189 A HN 0.444 nan 8.150 nan 0.000 0.444 190 K N -0.442 120.079 120.400 0.201 0.000 2.057 190 K HA -0.040 4.281 4.320 0.001 0.000 0.207 190 K C 1.764 178.374 176.600 0.016 0.000 1.049 190 K CA 1.459 57.893 56.287 0.244 0.000 0.931 190 K CB -0.348 32.259 32.500 0.178 0.000 0.714 190 K HN 0.530 nan 8.250 nan 0.000 0.440 191 I N 0.706 121.221 120.570 -0.093 0.000 2.226 191 I HA -0.276 3.894 4.170 0.001 0.000 0.245 191 I C 2.189 178.173 176.117 -0.221 0.000 1.100 191 I CA 1.040 62.239 61.300 -0.168 0.000 1.374 191 I CB -0.260 37.568 38.000 -0.287 0.000 1.057 191 I HN -0.064 nan 8.210 nan 0.000 0.413 192 V N 0.704 120.401 119.914 -0.362 0.000 2.343 192 V HA -0.326 3.794 4.120 0.001 0.000 0.247 192 V C 2.174 178.142 176.094 -0.209 0.000 1.051 192 V CA 2.311 64.405 62.300 -0.343 0.000 1.036 192 V CB -0.643 30.893 31.823 -0.478 0.000 0.654 192 V HN 0.451 nan 8.190 nan 0.000 0.451 193 D N -0.101 120.144 120.400 -0.258 0.000 2.097 193 D HA -0.173 4.467 4.640 0.001 0.000 0.197 193 D C 2.216 178.537 176.300 0.035 0.000 0.984 193 D CA 1.406 55.359 54.000 -0.078 0.000 0.826 193 D CB -0.060 40.706 40.800 -0.057 0.000 0.973 193 D HN 0.499 nan 8.370 nan 0.000 0.460 194 E N -0.423 119.797 120.200 0.033 0.000 2.085 194 E HA -0.148 4.203 4.350 0.001 0.000 0.194 194 E C 2.214 178.858 176.600 0.074 0.000 0.994 194 E CA 1.254 57.690 56.400 0.061 0.000 0.801 194 E CB -0.199 29.529 29.700 0.046 0.000 0.743 194 E HN 0.599 nan 8.360 nan 0.000 0.453 195 I N -3.511 117.101 120.570 0.071 0.000 3.111 195 I HA 0.219 4.390 4.170 0.001 0.000 0.272 195 I C 1.205 177.480 176.117 0.262 0.000 1.268 195 I CA 0.663 62.058 61.300 0.158 0.000 1.467 195 I CB 0.049 38.156 38.000 0.179 0.000 1.087 195 I HN 0.086 nan 8.210 nan 0.000 0.467 196 G N 2.293 111.177 108.800 0.140 0.000 2.212 196 G HA2 -0.265 3.696 3.960 0.001 0.000 0.255 196 G HA3 -0.265 3.696 3.960 0.001 0.000 0.255 196 G C -0.148 174.661 174.900 -0.150 0.000 1.062 196 G CA 0.163 45.321 45.100 0.096 0.000 0.815 196 G HN 0.459 nan 8.290 nan 0.000 0.497 197 L N 0.868 121.908 121.223 -0.305 0.000 2.525 197 L HA 0.470 4.811 4.340 0.001 0.000 0.278 197 L C -1.304 175.209 176.870 -0.594 0.000 1.218 197 L CA -0.909 53.472 54.840 -0.764 0.000 0.878 197 L CB 0.056 41.850 42.059 -0.442 0.000 1.127 197 L HN 0.078 nan 8.230 nan 0.000 0.492 198 P HA -0.017 nan 4.420 nan 0.000 0.261 198 P C -1.170 175.968 177.300 -0.270 0.000 1.173 198 P CA 0.056 62.944 63.100 -0.354 0.000 0.760 198 P CB 0.161 31.716 31.700 -0.241 0.000 0.783 199 R N 2.797 123.201 120.500 -0.161 0.000 2.638 199 R HA 0.234 4.575 4.340 0.001 0.000 0.268 199 R C 1.052 177.256 176.300 -0.160 0.000 1.006 199 R CA 0.317 56.331 56.100 -0.143 0.000 1.088 199 R CB -0.858 29.374 30.300 -0.114 0.000 0.950 199 R HN 0.746 nan 8.270 nan 0.000 0.419 200 G N 1.143 109.842 108.800 -0.169 0.000 2.253 200 G HA2 -0.341 3.620 3.960 0.001 0.000 0.251 200 G HA3 -0.341 3.620 3.960 0.001 0.000 0.251 200 G C 0.701 175.480 174.900 -0.202 0.000 0.998 200 G CA 0.234 45.234 45.100 -0.166 0.000 0.621 200 G HN 0.453 nan 8.290 nan 0.000 0.524 201 V N -0.390 119.350 119.914 -0.292 0.000 2.358 201 V HA 0.269 4.390 4.120 0.001 0.000 0.246 201 V C 1.158 177.105 176.094 -0.244 0.000 1.047 201 V CA 2.105 64.124 62.300 -0.468 0.000 1.035 201 V CB -0.266 30.985 31.823 -0.953 0.000 0.658 201 V HN 0.536 nan 8.190 nan 0.000 0.452 202 F N 1.374 121.180 119.950 -0.241 0.000 2.477 202 F HA 0.549 5.076 4.527 0.001 0.000 0.335 202 F C -0.366 175.447 175.800 0.021 0.000 1.130 202 F CA -0.863 57.077 58.000 -0.100 0.000 0.948 202 F CB 0.990 39.963 39.000 -0.044 0.000 1.154 202 F HN -0.000 nan 8.300 nan 0.000 0.439 203 N N 5.925 124.229 118.700 -0.660 0.000 2.240 203 N HA 0.514 5.254 4.740 0.001 0.000 0.302 203 N C -2.125 173.021 175.510 -0.607 0.000 1.106 203 N CA -0.659 52.137 53.050 -0.422 0.000 0.778 203 N CB 2.885 41.209 38.487 -0.272 0.000 1.431 203 N HN 0.591 nan 8.380 nan 0.000 0.479 204 L N 2.023 123.101 121.223 -0.243 0.000 2.372 204 L HA 0.454 4.795 4.340 0.001 0.000 0.273 204 L C -0.911 175.930 176.870 -0.049 0.000 0.989 204 L CA -0.804 53.947 54.840 -0.148 0.000 0.841 204 L CB 1.309 43.410 42.059 0.070 0.000 1.225 204 L HN 0.368 nan 8.230 nan 0.000 0.414 205 V N 3.242 123.103 119.914 -0.088 0.000 2.581 205 V HA 0.694 4.815 4.120 0.001 0.000 0.303 205 V C -0.493 175.551 176.094 -0.084 0.000 1.041 205 V CA -0.759 61.496 62.300 -0.076 0.000 0.907 205 V CB 1.673 33.441 31.823 -0.091 0.000 0.994 205 V HN 0.631 nan 8.190 nan 0.000 0.442 206 L N 4.530 125.685 121.223 -0.115 0.000 2.334 206 L HA 1.039 5.380 4.340 0.001 0.000 0.276 206 L C 0.650 177.390 176.870 -0.218 0.000 1.014 206 L CA 0.134 54.890 54.840 -0.139 0.000 0.815 206 L CB 1.660 43.649 42.059 -0.117 0.000 1.268 206 L HN 1.201 nan 8.230 nan 0.000 0.428 207 G N 1.793 110.485 108.800 -0.181 0.000 2.351 207 G HA2 0.193 4.154 3.960 0.001 0.000 0.279 207 G HA3 0.193 4.154 3.960 0.001 0.000 0.279 207 G C -1.639 173.170 174.900 -0.152 0.000 1.297 207 G CA -0.991 43.992 45.100 -0.196 0.000 0.886 207 G HN 0.430 nan 8.290 nan 0.000 0.493 208 R N -0.504 119.917 120.500 -0.132 0.000 2.549 208 R HA 0.538 4.879 4.340 0.001 0.000 0.267 208 R C 1.653 177.904 176.300 -0.082 0.000 1.045 208 R CA -0.084 55.948 56.100 -0.114 0.000 1.115 208 R CB 1.189 31.434 30.300 -0.091 0.000 1.121 208 R HN 0.697 nan 8.270 nan 0.000 0.543 209 G N 0.588 109.350 108.800 -0.065 0.000 2.402 209 G HA2 -0.312 3.649 3.960 0.001 0.000 0.216 209 G HA3 -0.312 3.649 3.960 0.001 0.000 0.216 209 G C 1.253 176.137 174.900 -0.027 0.000 1.162 209 G CA 0.842 45.921 45.100 -0.036 0.000 0.777 209 G HN 0.700 nan 8.290 nan 0.000 0.539 210 E N 1.015 121.200 120.200 -0.024 0.000 2.130 210 E HA -0.154 4.197 4.350 0.001 0.000 0.196 210 E C 2.469 179.057 176.600 -0.021 0.000 0.998 210 E CA 2.458 58.849 56.400 -0.016 0.000 0.806 210 E CB -0.454 29.239 29.700 -0.012 0.000 0.738 210 E HN 0.501 nan 8.360 nan 0.000 0.459 211 T N -2.514 112.021 114.554 -0.032 0.000 3.115 211 T HA 0.069 4.419 4.350 0.001 0.000 0.235 211 T C 1.998 176.675 174.700 -0.038 0.000 0.999 211 T CA 0.809 62.890 62.100 -0.032 0.000 1.276 211 T CB -0.884 67.960 68.868 -0.039 0.000 0.967 211 T HN -0.012 nan 8.240 nan 0.000 0.420 212 V N 2.293 122.173 119.914 -0.057 0.000 2.307 212 V HA 0.041 4.162 4.120 0.001 0.000 0.245 212 V C 3.132 179.196 176.094 -0.050 0.000 1.045 212 V CA 2.007 64.270 62.300 -0.061 0.000 1.024 212 V CB -1.645 30.125 31.823 -0.088 0.000 0.651 212 V HN 0.739 nan 8.190 nan 0.000 0.449 213 G N -0.786 107.985 108.800 -0.047 0.000 2.446 213 G HA2 -0.274 3.686 3.960 0.001 0.000 0.217 213 G HA3 -0.274 3.686 3.960 0.001 0.000 0.217 213 G C 1.504 176.388 174.900 -0.026 0.000 1.168 213 G CA 0.701 45.780 45.100 -0.035 0.000 0.771 213 G HN 0.452 nan 8.290 nan 0.000 0.551 214 Q N 0.006 119.793 119.800 -0.023 0.000 2.124 214 Q HA -0.090 4.250 4.340 0.001 0.000 0.202 214 Q C 2.406 178.394 176.000 -0.019 0.000 0.977 214 Q CA 1.504 57.297 55.803 -0.017 0.000 0.850 214 Q CB -0.260 28.470 28.738 -0.013 0.000 0.901 214 Q HN 0.597 nan 8.270 nan 0.000 0.429 215 E N 0.755 120.941 120.200 -0.023 0.000 2.150 215 E HA -0.069 4.282 4.350 0.001 0.000 0.193 215 E C 1.894 178.478 176.600 -0.026 0.000 0.985 215 E CA 0.617 57.004 56.400 -0.023 0.000 0.814 215 E CB -0.210 29.475 29.700 -0.025 0.000 0.752 215 E HN 0.296 nan 8.360 nan 0.000 0.466 216 L N -0.507 120.697 121.223 -0.031 0.000 2.275 216 L HA -0.003 4.337 4.340 0.001 0.000 0.215 216 L C 2.146 179.001 176.870 -0.025 0.000 1.119 216 L CA 0.972 55.792 54.840 -0.033 0.000 0.790 216 L CB -0.294 41.741 42.059 -0.041 0.000 0.919 216 L HN 0.200 nan 8.230 nan 0.000 0.443 217 A N -0.710 122.097 122.820 -0.021 0.000 2.115 217 A HA 0.223 4.544 4.320 0.001 0.000 0.211 217 A C 2.010 179.585 177.584 -0.015 0.000 1.169 217 A CA 0.837 52.864 52.037 -0.017 0.000 0.787 217 A CB -0.147 18.845 19.000 -0.013 0.000 0.858 217 A HN 0.349 nan 8.150 nan 0.000 0.474 218 G N -0.637 108.154 108.800 -0.015 0.000 3.192 218 G HA2 0.087 4.047 3.960 0.001 0.000 0.239 218 G HA3 0.087 4.047 3.960 0.001 0.000 0.239 218 G C 0.256 175.148 174.900 -0.014 0.000 1.084 218 G CA -0.226 44.866 45.100 -0.014 0.000 0.784 218 G HN 0.328 nan 8.290 nan 0.000 0.540 219 N N 1.668 120.359 118.700 -0.016 0.000 2.470 219 N HA 0.125 4.866 4.740 0.001 0.000 0.268 219 N C -1.148 174.354 175.510 -0.013 0.000 1.136 219 N CA -1.522 51.519 53.050 -0.015 0.000 0.961 219 N CB 2.313 40.788 38.487 -0.019 0.000 1.067 219 N HN -0.077 nan 8.380 nan 0.000 0.468 220 P HA -0.131 nan 4.420 nan 0.000 0.223 220 P C 0.297 177.591 177.300 -0.009 0.000 1.144 220 P CA 1.293 64.387 63.100 -0.010 0.000 0.783 220 P CB 0.366 32.061 31.700 -0.009 0.000 0.771 221 K N -0.599 119.796 120.400 -0.010 0.000 2.426 221 K HA 0.118 4.439 4.320 0.001 0.000 0.193 221 K C 0.498 177.094 176.600 -0.006 0.000 1.028 221 K CA 0.010 56.292 56.287 -0.008 0.000 1.047 221 K CB 0.195 32.689 32.500 -0.011 0.000 0.821 221 K HN 0.025 nan 8.250 nan 0.000 0.513 222 V N 1.577 121.486 119.914 -0.009 0.000 2.455 222 V HA 0.063 4.184 4.120 0.001 0.000 0.273 222 V C 1.042 177.133 176.094 -0.004 0.000 1.045 222 V CA -0.002 62.294 62.300 -0.007 0.000 0.976 222 V CB 1.103 32.919 31.823 -0.012 0.000 0.993 222 V HN 0.230 nan 8.190 nan 0.000 0.475 223 A N 5.287 128.109 122.820 0.003 0.000 1.975 223 A HA 0.324 4.645 4.320 0.001 0.000 0.215 223 A C 0.778 178.354 177.584 -0.014 0.000 1.170 223 A CA 0.776 52.813 52.037 0.000 0.000 0.656 223 A CB 0.112 19.120 19.000 0.013 0.000 0.821 223 A HN 0.737 nan 8.150 nan 0.000 0.449 224 M N -0.825 118.767 119.600 -0.013 0.000 2.365 224 M HA 0.496 4.977 4.480 0.001 0.000 0.288 224 M C -2.203 174.084 176.300 -0.021 0.000 1.152 224 M CA -0.458 54.819 55.300 -0.037 0.000 0.948 224 M CB 2.116 34.661 32.600 -0.092 0.000 1.729 224 M HN -0.021 nan 8.290 nan 0.000 0.487 225 V N 3.364 123.261 119.914 -0.027 0.000 2.417 225 V HA 0.770 4.891 4.120 0.001 0.000 0.291 225 V C -1.097 174.987 176.094 -0.017 0.000 1.024 225 V CA 0.013 62.304 62.300 -0.014 0.000 0.861 225 V CB 1.931 33.745 31.823 -0.015 0.000 0.985 225 V HN 0.874 nan 8.190 nan 0.000 0.436 226 S N 8.424 124.128 115.700 0.006 0.000 2.478 226 S HA 0.777 5.248 4.470 0.001 0.000 0.312 226 S C -0.762 173.847 174.600 0.014 0.000 1.094 226 S CA -0.684 57.526 58.200 0.016 0.000 1.081 226 S CB 1.104 64.348 63.200 0.074 0.000 1.007 226 S HN 0.918 nan 8.310 nan 0.000 0.475 227 M N 4.146 123.751 119.600 0.009 0.000 2.421 227 M HA 0.457 4.937 4.480 0.001 0.000 0.287 227 M C -1.788 174.518 176.300 0.009 0.000 1.183 227 M CA -0.089 55.215 55.300 0.006 0.000 0.916 227 M CB 1.794 34.397 32.600 0.005 0.000 1.701 227 M HN 0.595 nan 8.290 nan 0.000 0.470 228 T N 2.946 117.502 114.554 0.003 0.000 2.812 228 T HA 0.881 5.232 4.350 0.001 0.000 0.282 228 T C -0.067 174.629 174.700 -0.007 0.000 0.990 228 T CA -0.037 62.063 62.100 0.001 0.000 0.960 228 T CB 1.712 70.575 68.868 -0.009 0.000 0.948 228 T HN 0.997 nan 8.240 nan 0.000 0.438 229 G N 1.762 110.563 108.800 0.001 0.000 2.441 229 G HA2 0.486 4.447 3.960 0.001 0.000 0.225 229 G HA3 0.486 4.447 3.960 0.001 0.000 0.225 229 G C -0.689 174.233 174.900 0.037 0.000 1.200 229 G CA -0.224 44.883 45.100 0.011 0.000 0.947 229 G HN 0.919 nan 8.290 nan 0.000 0.484 230 S N -0.714 115.035 115.700 0.082 0.000 2.632 230 S HA 0.481 4.952 4.470 0.001 0.000 0.271 230 S C 1.442 176.101 174.600 0.098 0.000 1.260 230 S CA 0.358 58.614 58.200 0.093 0.000 1.010 230 S CB 1.659 64.941 63.200 0.137 0.000 0.965 230 S HN 1.766 nan 8.310 nan 0.000 0.534 231 V N 1.832 121.823 119.914 0.128 0.000 2.392 231 V HA -0.146 3.974 4.120 0.001 0.000 0.249 231 V C 2.586 178.726 176.094 0.076 0.000 1.059 231 V CA 2.757 65.126 62.300 0.114 0.000 1.051 231 V CB -0.857 31.054 31.823 0.146 0.000 0.658 231 V HN 1.102 nan 8.190 nan 0.000 0.455 232 S N -0.152 115.599 115.700 0.086 0.000 2.353 232 S HA -0.199 4.272 4.470 0.001 0.000 0.222 232 S C 2.114 176.751 174.600 0.061 0.000 1.035 232 S CA 2.072 60.315 58.200 0.071 0.000 1.025 232 S CB -0.612 62.640 63.200 0.087 0.000 0.902 232 S HN 0.912 nan 8.310 nan 0.000 0.440 233 A N 0.518 123.382 122.820 0.073 0.000 1.969 233 A HA 0.215 4.536 4.320 0.001 0.000 0.218 233 A C 2.318 179.928 177.584 0.043 0.000 1.169 233 A CA 1.572 53.645 52.037 0.061 0.000 0.635 233 A CB -1.465 17.582 19.000 0.078 0.000 0.810 233 A HN 0.646 nan 8.150 nan 0.000 0.445 234 G N -0.215 108.611 108.800 0.044 0.000 2.422 234 G HA2 -0.201 3.759 3.960 0.001 0.000 0.218 234 G HA3 -0.201 3.759 3.960 0.001 0.000 0.218 234 G C 1.387 176.298 174.900 0.017 0.000 1.146 234 G CA 0.970 46.087 45.100 0.029 0.000 0.769 234 G HN 0.653 nan 8.290 nan 0.000 0.547 235 E N 0.488 120.700 120.200 0.019 0.000 2.051 235 E HA -0.118 4.232 4.350 0.001 0.000 0.192 235 E C 2.527 179.132 176.600 0.008 0.000 0.991 235 E CA 1.060 57.465 56.400 0.009 0.000 0.799 235 E CB -0.097 29.609 29.700 0.010 0.000 0.748 235 E HN 0.375 nan 8.360 nan 0.000 0.449 236 K N 0.468 120.876 120.400 0.014 0.000 2.063 236 K HA -0.137 4.183 4.320 0.001 0.000 0.208 236 K C 2.167 178.770 176.600 0.005 0.000 1.048 236 K CA 1.092 57.386 56.287 0.011 0.000 0.928 236 K CB -0.146 32.364 32.500 0.017 0.000 0.713 236 K HN 0.136 nan 8.250 nan 0.000 0.442 237 I N 0.759 121.333 120.570 0.006 0.000 2.252 237 I HA -0.260 3.911 4.170 0.001 0.000 0.245 237 I C 2.603 178.717 176.117 -0.005 0.000 1.102 237 I CA 1.084 62.385 61.300 0.001 0.000 1.385 237 I CB -0.067 37.935 38.000 0.003 0.000 1.064 237 I HN 0.204 nan 8.210 nan 0.000 0.414 238 M N 0.170 119.768 119.600 -0.005 0.000 2.175 238 M HA -0.168 4.313 4.480 0.001 0.000 0.264 238 M C 2.397 178.691 176.300 -0.010 0.000 1.063 238 M CA 1.833 57.127 55.300 -0.010 0.000 1.119 238 M CB -0.088 32.505 32.600 -0.012 0.000 1.377 238 M HN 0.296 nan 8.290 nan 0.000 0.415 239 A N -0.443 122.373 122.820 -0.007 0.000 1.902 239 A HA -0.159 4.162 4.320 0.001 0.000 0.217 239 A C 2.037 179.616 177.584 -0.008 0.000 1.181 239 A CA 2.303 54.335 52.037 -0.008 0.000 0.623 239 A CB -1.204 17.793 19.000 -0.005 0.000 0.818 239 A HN 0.519 nan 8.150 nan 0.000 0.443 240 T N 0.236 114.786 114.554 -0.007 0.000 2.777 240 T HA 0.016 4.366 4.350 0.001 0.000 0.266 240 T C 2.208 176.902 174.700 -0.010 0.000 1.040 240 T CA 1.478 63.573 62.100 -0.008 0.000 1.141 240 T CB -0.426 68.438 68.868 -0.007 0.000 0.868 240 T HN 0.590 nan 8.240 nan 0.000 0.444 241 A N 1.470 124.283 122.820 -0.011 0.000 1.972 241 A HA 0.170 4.491 4.320 0.001 0.000 0.219 241 A C 2.642 180.217 177.584 -0.014 0.000 1.169 241 A CA 1.699 53.728 52.037 -0.014 0.000 0.635 241 A CB -1.044 17.947 19.000 -0.016 0.000 0.810 241 A HN 0.498 nan 8.150 nan 0.000 0.446 242 A N 0.196 123.008 122.820 -0.013 0.000 1.948 242 A HA -0.244 4.076 4.320 0.001 0.000 0.220 242 A C 2.042 179.619 177.584 -0.012 0.000 1.177 242 A CA 2.036 54.065 52.037 -0.014 0.000 0.636 242 A CB -0.491 18.502 19.000 -0.013 0.000 0.815 242 A HN 0.591 nan 8.150 nan 0.000 0.449 243 K N -0.494 119.900 120.400 -0.011 0.000 2.152 243 K HA -0.106 4.214 4.320 0.001 0.000 0.206 243 K C 0.540 177.134 176.600 -0.010 0.000 1.048 243 K CA 1.417 57.698 56.287 -0.010 0.000 0.933 243 K CB -0.092 32.403 32.500 -0.009 0.000 0.721 243 K HN 0.442 nan 8.250 nan 0.000 0.447 244 N N 0.441 119.134 118.700 -0.011 0.000 2.235 244 N HA 0.103 4.844 4.740 0.001 0.000 0.231 244 N C -0.566 174.937 175.510 -0.011 0.000 1.177 244 N CA 0.076 53.120 53.050 -0.011 0.000 0.874 244 N CB 0.886 39.367 38.487 -0.010 0.000 1.097 244 N HN -0.010 nan 8.380 nan 0.000 0.518 245 I N 0.795 121.358 120.570 -0.013 0.000 6.532 245 I HA -0.235 3.936 4.170 0.001 0.000 0.126 245 I C -0.364 175.744 176.117 -0.016 0.000 1.811 245 I CA 0.783 62.074 61.300 -0.014 0.000 2.115 245 I CB -3.215 34.778 38.000 -0.013 0.000 3.474 245 I HN -0.044 nan 8.210 nan 0.000 0.192 246 T N 2.238 116.782 114.554 -0.017 0.000 2.884 246 T HA 0.189 4.539 4.350 0.001 0.000 0.298 246 T C 0.770 175.455 174.700 -0.024 0.000 0.998 246 T CA -0.397 61.692 62.100 -0.019 0.000 1.124 246 T CB 1.932 70.789 68.868 -0.017 0.000 0.931 246 T HN 0.293 nan 8.240 nan 0.000 0.531 247 K N 2.532 122.914 120.400 -0.030 0.000 2.355 247 K HA 0.370 4.691 4.320 0.001 0.000 0.270 247 K C -0.211 176.362 176.600 -0.045 0.000 1.003 247 K CA -0.541 55.722 56.287 -0.040 0.000 0.957 247 K CB 0.362 32.831 32.500 -0.052 0.000 0.939 247 K HN 0.483 nan 8.250 nan 0.000 0.482 248 V N 0.700 120.587 119.914 -0.045 0.000 2.914 248 V HA 0.611 4.731 4.120 0.001 0.000 0.314 248 V C -1.207 174.858 176.094 -0.049 0.000 1.084 248 V CA -1.050 61.224 62.300 -0.042 0.000 0.963 248 V CB 1.500 33.307 31.823 -0.028 0.000 1.025 248 V HN 0.925 nan 8.190 nan 0.000 0.432 249 C N 5.457 124.730 119.300 -0.044 0.000 2.478 249 C HA 0.777 5.238 4.460 0.001 0.000 0.334 249 C C -0.769 174.215 174.990 -0.011 0.000 1.106 249 C CA -0.349 58.648 59.018 -0.035 0.000 1.363 249 C CB -0.857 26.843 27.740 -0.066 0.000 1.941 249 C HN 0.950 nan 8.230 nan 0.000 0.436 250 L N 4.915 126.134 121.223 -0.007 0.000 2.362 250 L HA 0.688 5.029 4.340 0.001 0.000 0.271 250 L C -0.244 176.629 176.870 0.005 0.000 1.002 250 L CA -0.284 54.558 54.840 0.003 0.000 0.818 250 L CB 1.752 43.812 42.059 0.002 0.000 1.298 250 L HN 0.530 nan 8.230 nan 0.000 0.420 251 E N 3.779 123.989 120.200 0.017 0.000 2.279 251 E HA 0.317 4.667 4.350 0.001 0.000 0.252 251 E C -0.856 175.764 176.600 0.033 0.000 0.894 251 E CA -0.294 56.118 56.400 0.020 0.000 0.785 251 E CB 1.619 31.348 29.700 0.049 0.000 1.237 251 E HN 0.623 nan 8.360 nan 0.000 0.418 252 L N 3.394 124.646 121.223 0.049 0.000 3.017 252 L HA 0.370 4.711 4.340 0.001 0.000 0.255 252 L C 1.004 177.918 176.870 0.073 0.000 1.247 252 L CA -0.072 54.812 54.840 0.073 0.000 1.038 252 L CB -0.003 42.119 42.059 0.105 0.000 1.380 252 L HN 0.743 nan 8.230 nan 0.000 0.548 253 G N 0.313 109.129 108.800 0.026 0.000 2.697 253 G HA2 0.045 4.006 3.960 0.001 0.000 0.240 253 G HA3 0.045 4.006 3.960 0.001 0.000 0.240 253 G C -0.046 174.785 174.900 -0.115 0.000 1.346 253 G CA -0.336 44.732 45.100 -0.053 0.000 0.887 253 G HN 0.675 nan 8.290 nan 0.000 0.569 254 G N -2.234 106.358 108.800 -0.347 0.000 2.450 254 G HA2 0.638 4.599 3.960 0.001 0.000 0.273 254 G HA3 0.638 4.599 3.960 0.001 0.000 0.273 254 G C -1.149 173.449 174.900 -0.504 0.000 1.221 254 G CA 0.601 45.386 45.100 -0.525 0.000 0.900 254 G HN 1.011 nan 8.290 nan 0.000 0.483 255 K N 0.699 120.988 120.400 -0.184 0.000 3.262 255 K HA 0.545 4.866 4.320 0.001 0.000 0.166 255 K C 0.155 176.786 176.600 0.052 0.000 1.091 255 K CA -0.174 56.069 56.287 -0.072 0.000 0.798 255 K CB 0.783 33.282 32.500 -0.002 0.000 0.953 255 K HN 0.965 nan 8.250 nan 0.000 0.588 256 A N 3.191 126.027 122.820 0.028 0.000 2.550 256 A HA 0.095 4.415 4.320 0.001 0.000 0.263 256 A C -2.074 175.508 177.584 -0.002 0.000 1.065 256 A CA -0.120 51.926 52.037 0.015 0.000 0.786 256 A CB -0.526 18.477 19.000 0.006 0.000 0.985 256 A HN 0.150 nan 8.150 nan 0.000 0.518 257 P HA 0.470 nan 4.420 nan 0.000 0.284 257 P C -0.725 176.575 177.300 -0.001 0.000 1.253 257 P CA -0.194 62.924 63.100 0.031 0.000 0.800 257 P CB 1.665 33.377 31.700 0.020 0.000 0.961 258 A N 4.277 127.172 122.820 0.126 0.000 2.335 258 A HA 0.654 4.975 4.320 0.001 0.000 0.304 258 A C -0.458 177.251 177.584 0.208 0.000 1.118 258 A CA -0.771 51.363 52.037 0.162 0.000 0.757 258 A CB 0.513 19.625 19.000 0.187 0.000 1.188 258 A HN 0.445 nan 8.150 nan 0.000 0.460 259 I N 3.123 123.798 120.570 0.175 0.000 2.355 259 I HA 0.338 4.508 4.170 0.001 0.000 0.288 259 I C -0.746 175.516 176.117 0.242 0.000 0.999 259 I CA -0.798 60.605 61.300 0.172 0.000 1.163 259 I CB 1.880 39.882 38.000 0.003 0.000 1.316 259 I HN 0.298 nan 8.210 nan 0.000 0.454 260 V N 6.916 126.940 119.914 0.183 0.000 2.328 260 V HA 0.357 4.477 4.120 0.001 0.000 0.278 260 V C 0.490 176.645 176.094 0.102 0.000 1.021 260 V CA -0.612 61.715 62.300 0.045 0.000 0.838 260 V CB 1.139 32.698 31.823 -0.441 0.000 0.999 260 V HN 0.621 nan 8.190 nan 0.000 0.447 261 M N 2.044 121.731 119.600 0.144 0.000 2.197 261 M HA 0.329 4.810 4.480 0.001 0.000 0.305 261 M C 1.206 177.527 176.300 0.035 0.000 1.162 261 M CA -0.235 55.139 55.300 0.124 0.000 1.099 261 M CB 0.433 33.112 32.600 0.132 0.000 1.430 261 M HN 0.492 nan 8.290 nan 0.000 0.481 262 D N 0.838 121.246 120.400 0.013 0.000 2.178 262 D HA -0.128 4.512 4.640 0.001 0.000 0.202 262 D C 0.772 177.088 176.300 0.026 0.000 0.974 262 D CA 1.219 55.219 54.000 0.001 0.000 0.841 262 D CB -0.071 40.724 40.800 -0.009 0.000 0.953 262 D HN 0.598 nan 8.370 nan 0.000 0.478 263 D N 0.310 120.734 120.400 0.040 0.000 2.413 263 D HA 0.155 4.795 4.640 0.001 0.000 0.237 263 D C 0.161 176.498 176.300 0.061 0.000 1.171 263 D CA -0.244 53.783 54.000 0.045 0.000 0.839 263 D CB -0.230 40.595 40.800 0.043 0.000 0.950 263 D HN -0.083 nan 8.370 nan 0.000 0.499 264 A N 0.262 123.124 122.820 0.070 0.000 2.302 264 A HA 0.239 4.559 4.320 0.001 0.000 0.285 264 A C 0.156 177.791 177.584 0.085 0.000 1.105 264 A CA -0.657 51.440 52.037 0.101 0.000 0.816 264 A CB 0.672 19.744 19.000 0.119 0.000 1.067 264 A HN 0.146 nan 8.150 nan 0.000 0.489 265 D N 2.193 122.654 120.400 0.102 0.000 2.416 265 D HA 0.049 4.689 4.640 0.001 0.000 0.240 265 D C 1.147 177.485 176.300 0.063 0.000 1.250 265 D CA -0.317 53.730 54.000 0.077 0.000 0.967 265 D CB 0.315 41.167 40.800 0.087 0.000 1.059 265 D HN 0.410 nan 8.370 nan 0.000 0.512 266 L N 4.933 126.191 121.223 0.059 0.000 2.010 266 L HA -0.260 4.080 4.340 0.001 0.000 0.219 266 L C 1.847 178.735 176.870 0.029 0.000 1.077 266 L CA 2.032 56.914 54.840 0.071 0.000 0.773 266 L CB -0.433 41.663 42.059 0.061 0.000 0.892 266 L HN 0.420 nan 8.230 nan 0.000 0.436 267 E N -0.859 119.346 120.200 0.008 0.000 2.058 267 E HA -0.274 4.077 4.350 0.001 0.000 0.194 267 E C 2.135 178.725 176.600 -0.016 0.000 0.997 267 E CA 1.485 57.876 56.400 -0.015 0.000 0.801 267 E CB -0.514 29.181 29.700 -0.008 0.000 0.746 267 E HN 0.478 nan 8.360 nan 0.000 0.450 268 L N 1.231 122.460 121.223 0.011 0.000 2.017 268 L HA -0.110 4.231 4.340 0.001 0.000 0.208 268 L C 2.258 179.108 176.870 -0.034 0.000 1.073 268 L CA 2.161 57.017 54.840 0.026 0.000 0.745 268 L CB -0.829 41.282 42.059 0.087 0.000 0.894 268 L HN 0.063 nan 8.230 nan 0.000 0.432 269 A N -0.805 121.939 122.820 -0.127 0.000 1.883 269 A HA -0.172 4.149 4.320 0.001 0.000 0.217 269 A C 2.272 179.726 177.584 -0.216 0.000 1.186 269 A CA 2.287 54.038 52.037 -0.477 0.000 0.624 269 A CB -1.264 17.462 19.000 -0.457 0.000 0.822 269 A HN 0.342 nan 8.150 nan 0.000 0.444 270 V N 0.335 120.209 119.914 -0.066 0.000 2.332 270 V HA -0.289 3.832 4.120 0.001 0.000 0.248 270 V C 2.557 178.582 176.094 -0.114 0.000 1.055 270 V CA 2.456 64.671 62.300 -0.141 0.000 1.038 270 V CB -0.696 30.977 31.823 -0.251 0.000 0.651 270 V HN 0.716 nan 8.190 nan 0.000 0.450 271 K N 0.272 120.623 120.400 -0.082 0.000 2.057 271 K HA -0.153 4.168 4.320 0.001 0.000 0.206 271 K C 2.217 178.800 176.600 -0.028 0.000 1.050 271 K CA 1.502 57.759 56.287 -0.050 0.000 0.935 271 K CB -0.325 32.159 32.500 -0.027 0.000 0.715 271 K HN 0.406 nan 8.250 nan 0.000 0.439 272 A N 1.496 124.306 122.820 -0.017 0.000 1.877 272 A HA -0.137 4.183 4.320 0.001 0.000 0.216 272 A C 2.118 179.715 177.584 0.023 0.000 1.186 272 A CA 1.557 53.615 52.037 0.036 0.000 0.620 272 A CB -0.610 18.483 19.000 0.155 0.000 0.822 272 A HN 0.351 nan 8.150 nan 0.000 0.443 273 I N -0.410 120.157 120.570 -0.006 0.000 2.179 273 I HA -0.214 3.957 4.170 0.001 0.000 0.242 273 I C 2.368 178.492 176.117 0.010 0.000 1.088 273 I CA 1.196 62.513 61.300 0.028 0.000 1.357 273 I CB -0.380 37.662 38.000 0.070 0.000 1.051 273 I HN 0.156 nan 8.210 nan 0.000 0.409 274 V N 0.768 120.671 119.914 -0.018 0.000 2.343 274 V HA -0.298 3.823 4.120 0.001 0.000 0.247 274 V C 2.122 178.211 176.094 -0.009 0.000 1.051 274 V CA 1.954 64.243 62.300 -0.020 0.000 1.036 274 V CB -0.672 31.122 31.823 -0.047 0.000 0.654 274 V HN 0.412 nan 8.190 nan 0.000 0.451 275 D N 0.084 120.474 120.400 -0.017 0.000 2.078 275 D HA -0.126 4.515 4.640 0.001 0.000 0.193 275 D C 2.433 178.713 176.300 -0.032 0.000 0.990 275 D CA 1.795 55.781 54.000 -0.024 0.000 0.827 275 D CB -0.314 40.469 40.800 -0.028 0.000 0.975 275 D HN 0.378 nan 8.370 nan 0.000 0.451 276 S N 0.689 116.369 115.700 -0.034 0.000 2.377 276 S HA -0.260 4.211 4.470 0.001 0.000 0.224 276 S C 1.896 176.483 174.600 -0.022 0.000 1.042 276 S CA 1.788 59.958 58.200 -0.049 0.000 1.086 276 S CB -0.225 62.952 63.200 -0.039 0.000 0.995 276 S HN 0.147 nan 8.310 nan 0.000 0.428 277 R N 1.612 122.113 120.500 0.002 0.000 2.094 277 R HA -0.016 4.325 4.340 0.001 0.000 0.239 277 R C 1.867 178.185 176.300 0.031 0.000 1.137 277 R CA 1.932 58.044 56.100 0.020 0.000 0.943 277 R CB -1.346 28.973 30.300 0.032 0.000 0.850 277 R HN 0.296 nan 8.270 nan 0.000 0.433 278 V N 1.450 121.383 119.914 0.031 0.000 3.590 278 V HA 0.153 4.274 4.120 0.001 0.000 0.272 278 V C 0.490 176.602 176.094 0.030 0.000 1.233 278 V CA 0.093 62.419 62.300 0.044 0.000 1.182 278 V CB -0.649 31.203 31.823 0.049 0.000 0.901 278 V HN 0.218 nan 8.190 nan 0.000 0.485 279 I N 1.962 122.540 120.570 0.013 0.000 2.587 279 I HA 0.029 4.200 4.170 0.001 0.000 0.284 279 I C 1.166 177.297 176.117 0.024 0.000 1.134 279 I CA 0.587 61.889 61.300 0.003 0.000 1.410 279 I CB -0.430 37.565 38.000 -0.009 0.000 1.392 279 I HN 0.485 nan 8.210 nan 0.000 0.545 280 N N 4.639 123.333 118.700 -0.009 0.000 2.725 280 N HA -0.285 4.456 4.740 0.001 0.000 0.251 280 N C 0.675 176.208 175.510 0.038 0.000 1.031 280 N CA 0.825 53.857 53.050 -0.031 0.000 0.720 280 N CB -0.406 38.008 38.487 -0.122 0.000 0.930 280 N HN 0.806 nan 8.380 nan 0.000 0.543 281 S N -1.646 114.087 115.700 0.055 0.000 3.270 281 S HA -0.244 4.226 4.470 0.001 0.000 0.293 281 S C 1.331 175.986 174.600 0.092 0.000 1.278 281 S CA 2.380 60.628 58.200 0.081 0.000 1.038 281 S CB -1.655 61.590 63.200 0.075 0.000 1.218 281 S HN 2.062 nan 8.310 nan 0.000 0.659 282 G N -0.264 108.586 108.800 0.085 0.000 2.176 282 G HA2 -0.299 3.662 3.960 0.001 0.000 0.253 282 G HA3 -0.299 3.662 3.960 0.001 0.000 0.253 282 G C 0.288 175.263 174.900 0.125 0.000 0.979 282 G CA 0.642 45.795 45.100 0.089 0.000 0.641 282 G HN 0.670 nan 8.290 nan 0.000 0.530 283 Q N -0.047 119.855 119.800 0.171 0.000 2.541 283 Q HA 0.140 4.480 4.340 0.001 0.000 0.215 283 Q C 1.366 177.462 176.000 0.160 0.000 0.977 283 Q CA 0.961 56.939 55.803 0.293 0.000 0.934 283 Q CB 0.042 29.050 28.738 0.449 0.000 0.988 283 Q HN 0.581 nan 8.270 nan 0.000 0.521 284 V N -0.154 119.828 119.914 0.113 0.000 3.109 284 V HA 0.060 4.181 4.120 0.001 0.000 0.317 284 V C 1.548 177.662 176.094 0.033 0.000 1.074 284 V CA -0.357 62.005 62.300 0.104 0.000 1.033 284 V CB 1.568 33.517 31.823 0.209 0.000 1.111 284 V HN 0.393 nan 8.190 nan 0.000 0.458 285 C N -0.540 118.768 119.300 0.014 0.000 2.524 285 C HA 0.070 4.531 4.460 0.001 0.000 0.284 285 C C 2.209 177.203 174.990 0.008 0.000 1.346 285 C CA 0.291 59.295 59.018 -0.022 0.000 1.739 285 C CB -1.098 26.627 27.740 -0.026 0.000 2.119 285 C HN 0.891 nan 8.230 nan 0.000 0.501 286 N N 1.825 120.545 118.700 0.033 0.000 2.058 286 N HA -0.168 4.573 4.740 0.001 0.000 0.200 286 N C 0.978 176.485 175.510 -0.005 0.000 1.033 286 N CA 2.181 55.248 53.050 0.030 0.000 0.880 286 N CB -0.925 37.539 38.487 -0.038 0.000 1.069 286 N HN 0.843 nan 8.380 nan 0.000 0.461 287 C N 1.141 120.429 119.300 -0.019 0.000 2.522 287 C HA 0.288 4.749 4.460 0.001 0.000 0.394 287 C C 1.046 176.032 174.990 -0.008 0.000 1.359 287 C CA -1.473 57.533 59.018 -0.019 0.000 1.667 287 C CB -1.436 26.303 27.740 -0.001 0.000 2.595 287 C HN 0.448 nan 8.230 nan 0.000 0.604 288 A N 1.690 124.512 122.820 0.003 0.000 2.492 288 A HA 0.331 4.652 4.320 0.001 0.000 0.254 288 A C 0.948 178.539 177.584 0.011 0.000 1.091 288 A CA 0.089 52.137 52.037 0.018 0.000 0.768 288 A CB -0.029 19.001 19.000 0.050 0.000 1.028 288 A HN 1.026 nan 8.150 nan 0.000 0.498 289 E N 1.374 121.574 120.200 -0.000 0.000 2.601 289 E HA 0.131 4.482 4.350 0.001 0.000 0.219 289 E C -0.155 176.427 176.600 -0.030 0.000 0.964 289 E CA 0.042 56.433 56.400 -0.015 0.000 1.050 289 E CB 0.295 29.971 29.700 -0.038 0.000 1.068 289 E HN 0.705 nan 8.360 nan 0.000 0.496 290 R N 0.705 121.187 120.500 -0.028 0.000 2.518 290 R HA 0.352 4.693 4.340 0.001 0.000 0.296 290 R C -1.503 174.709 176.300 -0.147 0.000 1.080 290 R CA -0.531 55.502 56.100 -0.113 0.000 0.922 290 R CB 2.289 32.580 30.300 -0.016 0.000 1.184 290 R HN -0.121 nan 8.270 nan 0.000 0.445 291 V N 4.243 124.019 119.914 -0.231 0.000 2.370 291 V HA 0.378 4.499 4.120 0.001 0.000 0.283 291 V C -0.893 175.044 176.094 -0.262 0.000 1.023 291 V CA -0.768 61.458 62.300 -0.124 0.000 0.857 291 V CB 0.973 32.812 31.823 0.027 0.000 0.985 291 V HN 0.565 nan 8.190 nan 0.000 0.443 292 Y N 3.448 123.803 120.300 0.092 0.000 2.334 292 Y HA 0.640 5.190 4.550 0.001 0.000 0.336 292 Y C 0.014 176.116 175.900 0.337 0.000 0.960 292 Y CA -0.845 57.389 58.100 0.223 0.000 1.164 292 Y CB 1.876 40.395 38.460 0.098 0.000 1.155 292 Y HN 0.388 nan 8.280 nan 0.000 0.478 293 V N 4.217 124.348 119.914 0.362 0.000 2.448 293 V HA 0.318 4.439 4.120 0.001 0.000 0.295 293 V C -0.441 175.480 176.094 -0.287 0.000 1.025 293 V CA -1.211 61.106 62.300 0.029 0.000 0.859 293 V CB 1.507 33.269 31.823 -0.102 0.000 0.988 293 V HN 0.755 nan 8.190 nan 0.000 0.431 294 Q N 4.467 123.779 119.800 -0.813 0.000 2.299 294 Q HA 0.396 4.736 4.340 0.001 0.000 0.246 294 Q C 0.595 176.363 176.000 -0.387 0.000 0.935 294 Q CA -0.764 54.350 55.803 -1.147 0.000 0.887 294 Q CB 1.163 29.149 28.738 -1.253 0.000 1.223 294 Q HN 0.430 nan 8.270 nan 0.000 0.439 295 K N 2.405 122.619 120.400 -0.310 0.000 2.044 295 K HA -0.279 4.042 4.320 0.001 0.000 0.224 295 K C 1.947 178.524 176.600 -0.039 0.000 1.056 295 K CA 2.193 58.399 56.287 -0.136 0.000 0.962 295 K CB -1.550 30.870 32.500 -0.134 0.000 0.730 295 K HN 0.994 nan 8.250 nan 0.000 0.453 296 G N 0.921 109.683 108.800 -0.064 0.000 2.550 296 G HA2 -0.258 3.703 3.960 0.001 0.000 0.222 296 G HA3 -0.258 3.703 3.960 0.001 0.000 0.222 296 G C 1.498 176.404 174.900 0.010 0.000 1.113 296 G CA 1.105 46.192 45.100 -0.022 0.000 0.748 296 G HN 0.446 nan 8.290 nan 0.000 0.585 297 I N -2.025 118.553 120.570 0.012 0.000 4.154 297 I HA 0.293 4.463 4.170 0.001 0.000 0.334 297 I C 1.846 178.022 176.117 0.097 0.000 1.371 297 I CA -0.528 60.798 61.300 0.043 0.000 1.110 297 I CB 0.213 38.223 38.000 0.017 0.000 1.085 297 I HN 0.181 nan 8.210 nan 0.000 0.398 298 Y N 2.105 122.393 120.300 -0.020 0.000 1.956 298 Y HA -0.439 4.112 4.550 0.001 0.000 0.258 298 Y C 2.103 178.053 175.900 0.084 0.000 1.152 298 Y CA 2.526 60.643 58.100 0.028 0.000 1.093 298 Y CB -0.365 38.085 38.460 -0.018 0.000 0.945 298 Y HN 0.274 nan 8.280 nan 0.000 0.488 299 D N -0.181 120.347 120.400 0.213 0.000 2.204 299 D HA -0.301 4.340 4.640 0.001 0.000 0.189 299 D C 2.085 178.379 176.300 -0.011 0.000 1.006 299 D CA 2.347 56.404 54.000 0.095 0.000 0.855 299 D CB -0.608 40.259 40.800 0.113 0.000 0.946 299 D HN 0.602 nan 8.370 nan 0.000 0.448 300 Q N -0.524 119.287 119.800 0.018 0.000 2.030 300 Q HA -0.170 4.171 4.340 0.001 0.000 0.204 300 Q C 2.206 178.183 176.000 -0.038 0.000 0.986 300 Q CA 1.264 57.064 55.803 -0.005 0.000 0.843 300 Q CB -0.361 28.392 28.738 0.023 0.000 0.904 300 Q HN 0.282 nan 8.270 nan 0.000 0.420 301 F N 0.843 120.709 119.950 -0.140 0.000 2.065 301 F HA -0.263 4.265 4.527 0.001 0.000 0.298 301 F C 2.015 177.684 175.800 -0.219 0.000 1.112 301 F CA 1.376 59.273 58.000 -0.171 0.000 1.212 301 F CB -0.292 38.604 39.000 -0.174 0.000 0.975 301 F HN -0.165 nan 8.300 nan 0.000 0.476 302 V N 0.921 120.679 119.914 -0.260 0.000 2.490 302 V HA -0.325 3.795 4.120 0.001 0.000 0.250 302 V C 2.211 178.127 176.094 -0.296 0.000 1.061 302 V CA 2.019 64.111 62.300 -0.347 0.000 1.064 302 V CB -0.911 30.654 31.823 -0.429 0.000 0.670 302 V HN 0.399 nan 8.190 nan 0.000 0.461 303 N N 0.530 119.093 118.700 -0.227 0.000 2.080 303 N HA -0.121 4.620 4.740 0.001 0.000 0.189 303 N C 2.017 177.393 175.510 -0.225 0.000 1.036 303 N CA 1.436 54.378 53.050 -0.180 0.000 0.846 303 N CB -0.330 38.084 38.487 -0.120 0.000 1.015 303 N HN 0.477 nan 8.380 nan 0.000 0.423 304 R N 0.501 120.846 120.500 -0.260 0.000 2.081 304 R HA -0.082 4.259 4.340 0.001 0.000 0.235 304 R C 2.157 178.254 176.300 -0.338 0.000 1.131 304 R CA 0.733 56.671 56.100 -0.270 0.000 0.960 304 R CB -0.566 29.578 30.300 -0.260 0.000 0.856 304 R HN 0.137 nan 8.270 nan 0.000 0.436 305 L N 0.675 121.600 121.223 -0.497 0.000 2.046 305 L HA -0.041 4.300 4.340 0.001 0.000 0.208 305 L C 2.174 178.861 176.870 -0.306 0.000 1.077 305 L CA 2.094 56.648 54.840 -0.477 0.000 0.747 305 L CB -1.004 40.645 42.059 -0.683 0.000 0.896 305 L HN 0.186 nan 8.230 nan 0.000 0.432 306 G N -1.193 107.438 108.800 -0.282 0.000 2.440 306 G HA2 -0.252 3.708 3.960 0.001 0.000 0.218 306 G HA3 -0.252 3.708 3.960 0.001 0.000 0.218 306 G C 1.435 176.132 174.900 -0.339 0.000 1.154 306 G CA 0.874 45.819 45.100 -0.258 0.000 0.767 306 G HN 0.550 nan 8.290 nan 0.000 0.552 307 E N 0.543 120.576 120.200 -0.278 0.000 2.072 307 E HA 0.048 4.399 4.350 0.001 0.000 0.190 307 E C 2.958 179.411 176.600 -0.245 0.000 0.982 307 E CA 0.616 56.860 56.400 -0.260 0.000 0.803 307 E CB -0.200 29.385 29.700 -0.192 0.000 0.755 307 E HN 0.383 nan 8.360 nan 0.000 0.453 308 A N 1.292 123.982 122.820 -0.215 0.000 1.908 308 A HA -0.216 4.104 4.320 0.001 0.000 0.218 308 A C 2.164 179.659 177.584 -0.147 0.000 1.181 308 A CA 1.603 53.540 52.037 -0.167 0.000 0.627 308 A CB -0.478 18.422 19.000 -0.165 0.000 0.818 308 A HN 0.155 nan 8.150 nan 0.000 0.445 309 M N -1.527 117.967 119.600 -0.177 0.000 2.349 309 M HA -0.108 4.373 4.480 0.001 0.000 0.266 309 M C 2.379 178.583 176.300 -0.160 0.000 1.076 309 M CA 1.315 56.563 55.300 -0.087 0.000 1.126 309 M CB -0.194 32.416 32.600 0.015 0.000 1.392 309 M HN 0.591 nan 8.290 nan 0.000 0.440 310 Q N 0.458 119.935 119.800 -0.537 0.000 2.224 310 Q HA -0.114 4.227 4.340 0.001 0.000 0.203 310 Q C 1.869 177.774 176.000 -0.158 0.000 0.970 310 Q CA 1.406 56.820 55.803 -0.649 0.000 0.865 310 Q CB 0.066 28.372 28.738 -0.721 0.000 0.922 310 Q HN 0.545 nan 8.270 nan 0.000 0.445 311 A N -0.057 122.686 122.820 -0.128 0.000 2.119 311 A HA 0.062 4.383 4.320 0.001 0.000 0.216 311 A C 0.850 178.426 177.584 -0.014 0.000 1.152 311 A CA 0.076 52.073 52.037 -0.066 0.000 0.708 311 A CB 0.075 19.029 19.000 -0.077 0.000 0.805 311 A HN 0.171 nan 8.150 nan 0.000 0.460 312 V N 2.632 122.566 119.914 0.034 0.000 2.493 312 V HA 0.024 4.145 4.120 0.001 0.000 0.292 312 V C -0.019 176.130 176.094 0.091 0.000 1.016 312 V CA 0.232 62.579 62.300 0.078 0.000 1.097 312 V CB 0.314 32.218 31.823 0.135 0.000 0.947 312 V HN 0.507 nan 8.190 nan 0.000 0.479 313 Q N 4.618 124.436 119.800 0.030 0.000 2.245 313 Q HA 0.579 4.920 4.340 0.001 0.000 0.256 313 Q C -0.611 175.398 176.000 0.015 0.000 0.942 313 Q CA -0.380 55.380 55.803 -0.071 0.000 0.896 313 Q CB 2.417 31.084 28.738 -0.117 0.000 1.272 313 Q HN 0.699 nan 8.270 nan 0.000 0.442 314 F N -1.577 118.369 119.950 -0.006 0.000 2.577 314 F HA 0.939 5.466 4.527 0.001 0.000 0.318 314 F C 0.084 175.836 175.800 -0.080 0.000 1.065 314 F CA -0.871 57.140 58.000 0.019 0.000 0.929 314 F CB 1.819 40.867 39.000 0.080 0.000 1.237 314 F HN 0.622 nan 8.300 nan 0.000 0.468 315 G N 0.935 109.903 108.800 0.279 0.000 2.317 315 G HA2 0.115 4.076 3.960 0.001 0.000 0.293 315 G HA3 0.115 4.076 3.960 0.001 0.000 0.293 315 G C -2.054 173.009 174.900 0.272 0.000 1.287 315 G CA -1.257 43.886 45.100 0.072 0.000 0.850 315 G HN 0.835 nan 8.290 nan 0.000 0.515 316 N N 1.053 119.855 118.700 0.171 0.000 2.434 316 N HA 0.217 4.958 4.740 0.001 0.000 0.268 316 N C -1.252 174.320 175.510 0.103 0.000 1.256 316 N CA -1.253 51.898 53.050 0.169 0.000 0.914 316 N CB 1.629 40.175 38.487 0.099 0.000 1.088 316 N HN 0.029 nan 8.380 nan 0.000 0.478 317 P HA -0.081 nan 4.420 nan 0.000 0.218 317 P C 0.643 177.967 177.300 0.038 0.000 1.148 317 P CA 1.194 64.332 63.100 0.063 0.000 0.822 317 P CB 0.220 31.952 31.700 0.054 0.000 0.784 318 A N -0.309 122.533 122.820 0.036 0.000 2.066 318 A HA -0.126 4.195 4.320 0.001 0.000 0.218 318 A C 1.804 179.397 177.584 0.016 0.000 1.157 318 A CA 1.257 53.308 52.037 0.023 0.000 0.670 318 A CB -0.708 18.305 19.000 0.021 0.000 0.804 318 A HN 0.208 nan 8.150 nan 0.000 0.453 319 E N -0.993 119.218 120.200 0.017 0.000 2.498 319 E HA 0.135 4.485 4.350 0.001 0.000 0.203 319 E C -0.318 176.281 176.600 -0.002 0.000 1.013 319 E CA -0.101 56.302 56.400 0.005 0.000 0.927 319 E CB 0.529 30.230 29.700 0.002 0.000 1.012 319 E HN 0.282 nan 8.360 nan 0.000 0.482 320 R N 1.618 122.120 120.500 0.004 0.000 2.533 320 R HA 0.205 4.546 4.340 0.001 0.000 0.288 320 R C -0.286 176.016 176.300 0.003 0.000 1.039 320 R CA -0.276 55.821 56.100 -0.004 0.000 0.909 320 R CB 1.105 31.396 30.300 -0.014 0.000 1.195 320 R HN 0.080 nan 8.270 nan 0.000 0.438 321 N N 1.103 119.801 118.700 -0.002 0.000 2.204 321 N HA -0.047 4.694 4.740 0.001 0.000 0.219 321 N C -0.311 175.198 175.510 -0.003 0.000 1.151 321 N CA -0.163 52.888 53.050 0.001 0.000 0.867 321 N CB 0.585 39.073 38.487 0.001 0.000 1.043 321 N HN 0.549 nan 8.380 nan 0.000 0.516 322 D N 0.737 121.132 120.400 -0.010 0.000 2.593 322 D HA 0.139 4.779 4.640 0.001 0.000 0.241 322 D C 0.446 176.735 176.300 -0.018 0.000 1.257 322 D CA -0.439 53.551 54.000 -0.016 0.000 0.828 322 D CB -0.154 40.631 40.800 -0.025 0.000 1.049 322 D HN 0.480 nan 8.370 nan 0.000 0.490 323 I N -4.063 116.505 120.570 -0.003 0.000 2.646 323 I HA 0.751 4.922 4.170 0.001 0.000 0.299 323 I C 0.327 176.462 176.117 0.029 0.000 1.036 323 I CA -1.340 59.966 61.300 0.009 0.000 1.074 323 I CB 2.414 40.428 38.000 0.023 0.000 1.258 323 I HN -0.215 nan 8.210 nan 0.000 0.430 324 A N 5.572 128.419 122.820 0.044 0.000 2.348 324 A HA 0.488 4.808 4.320 0.001 0.000 0.224 324 A C 0.451 178.081 177.584 0.077 0.000 1.227 324 A CA 0.021 52.087 52.037 0.048 0.000 0.885 324 A CB 0.117 19.140 19.000 0.039 0.000 0.933 324 A HN 0.837 nan 8.150 nan 0.000 0.506 325 M N -0.918 118.753 119.600 0.119 0.000 2.413 325 M HA 0.572 5.053 4.480 0.001 0.000 0.287 325 M C -0.416 176.014 176.300 0.216 0.000 1.186 325 M CA -0.438 54.958 55.300 0.160 0.000 0.927 325 M CB 1.677 34.402 32.600 0.208 0.000 1.715 325 M HN 0.152 nan 8.290 nan 0.000 0.478 326 G N 2.631 111.533 108.800 0.171 0.000 2.795 326 G HA2 0.839 4.800 3.960 0.001 0.000 0.267 326 G HA3 0.839 4.800 3.960 0.001 0.000 0.267 326 G C -3.120 171.851 174.900 0.118 0.000 1.362 326 G CA -1.167 44.047 45.100 0.191 0.000 1.048 326 G HN 0.479 nan 8.290 nan 0.000 0.547 327 P HA 0.295 nan 4.420 nan 0.000 0.276 327 P C -0.139 177.020 177.300 -0.234 0.000 1.261 327 P CA -0.401 62.389 63.100 -0.517 0.000 0.800 327 P CB 1.325 32.508 31.700 -0.862 0.000 1.066 328 L N 0.960 122.046 121.223 -0.229 0.000 2.466 328 L HA 0.118 4.459 4.340 0.001 0.000 0.257 328 L C 2.297 178.965 176.870 -0.336 0.000 1.189 328 L CA -0.587 54.119 54.840 -0.223 0.000 0.813 328 L CB -0.020 41.893 42.059 -0.245 0.000 1.118 328 L HN 0.283 nan 8.230 nan 0.000 0.471 329 I N 1.115 121.342 120.570 -0.570 0.000 2.208 329 I HA -0.238 3.933 4.170 0.001 0.000 0.245 329 I C 0.692 176.292 176.117 -0.862 0.000 1.097 329 I CA 1.537 62.354 61.300 -0.805 0.000 1.363 329 I CB -0.339 36.699 38.000 -1.604 0.000 1.051 329 I HN 0.974 nan 8.210 nan 0.000 0.413 330 N N -2.606 115.441 118.700 -1.087 0.000 3.179 330 N HA 0.419 5.160 4.740 0.001 0.000 0.250 330 N C 0.323 174.913 175.510 -1.534 0.000 1.507 330 N CA -0.128 52.064 53.050 -1.429 0.000 0.883 330 N CB 0.254 38.068 38.487 -1.121 0.000 1.435 330 N HN -0.116 nan 8.380 nan 0.000 0.532 331 A N 0.141 122.090 122.820 -1.451 0.000 1.873 331 A HA -0.010 4.311 4.320 0.001 0.000 0.218 331 A C 2.162 179.458 177.584 -0.481 0.000 1.193 331 A CA 3.041 54.645 52.037 -0.722 0.000 0.629 331 A CB -1.717 17.105 19.000 -0.296 0.000 0.826 331 A HN 1.024 nan 8.150 nan 0.000 0.447 332 A N -0.335 122.207 122.820 -0.464 0.000 1.917 332 A HA 0.072 4.392 4.320 0.001 0.000 0.219 332 A C 2.523 179.823 177.584 -0.473 0.000 1.182 332 A CA 2.477 54.293 52.037 -0.367 0.000 0.633 332 A CB -1.085 17.729 19.000 -0.310 0.000 0.819 332 A HN 1.184 nan 8.150 nan 0.000 0.448 333 A N -0.566 121.847 122.820 -0.679 0.000 1.877 333 A HA -0.039 4.281 4.320 0.001 0.000 0.216 333 A C 2.136 179.387 177.584 -0.556 0.000 1.186 333 A CA 1.775 53.301 52.037 -0.852 0.000 0.620 333 A CB -0.696 17.751 19.000 -0.921 0.000 0.822 333 A HN 0.711 nan 8.150 nan 0.000 0.443 334 L N 0.262 121.228 121.223 -0.428 0.000 1.989 334 L HA -0.205 4.136 4.340 0.001 0.000 0.211 334 L C 2.226 178.974 176.870 -0.204 0.000 1.071 334 L CA 2.599 57.292 54.840 -0.244 0.000 0.749 334 L CB -0.840 41.151 42.059 -0.113 0.000 0.890 334 L HN 0.555 nan 8.230 nan 0.000 0.431 335 E N -0.855 119.233 120.200 -0.186 0.000 2.077 335 E HA -0.239 4.111 4.350 0.001 0.000 0.193 335 E C 2.274 178.800 176.600 -0.125 0.000 0.989 335 E CA 1.277 57.602 56.400 -0.125 0.000 0.800 335 E CB -0.164 29.474 29.700 -0.104 0.000 0.746 335 E HN 0.482 nan 8.360 nan 0.000 0.452 336 R N 0.364 120.772 120.500 -0.154 0.000 2.105 336 R HA -0.130 4.210 4.340 0.001 0.000 0.239 336 R C 2.402 178.671 176.300 -0.052 0.000 1.135 336 R CA 1.178 57.241 56.100 -0.061 0.000 0.967 336 R CB -0.285 30.008 30.300 -0.012 0.000 0.861 336 R HN 0.071 nan 8.270 nan 0.000 0.442 337 V N 1.170 120.987 119.914 -0.160 0.000 2.358 337 V HA -0.206 3.915 4.120 0.001 0.000 0.246 337 V C 1.993 177.872 176.094 -0.358 0.000 1.047 337 V CA 1.738 63.867 62.300 -0.285 0.000 1.035 337 V CB -0.443 31.060 31.823 -0.533 0.000 0.658 337 V HN 0.345 nan 8.190 nan 0.000 0.452 338 E N 0.140 120.164 120.200 -0.293 0.000 2.038 338 E HA -0.298 4.053 4.350 0.001 0.000 0.195 338 E C 2.327 178.895 176.600 -0.053 0.000 1.000 338 E CA 1.681 58.007 56.400 -0.123 0.000 0.803 338 E CB -0.256 29.433 29.700 -0.018 0.000 0.750 338 E HN 0.674 nan 8.360 nan 0.000 0.448 339 Q N 0.804 120.578 119.800 -0.045 0.000 2.096 339 Q HA -0.185 4.155 4.340 0.001 0.000 0.204 339 Q C 2.097 178.094 176.000 -0.005 0.000 0.982 339 Q CA 1.319 57.115 55.803 -0.012 0.000 0.850 339 Q CB -0.156 28.578 28.738 -0.006 0.000 0.901 339 Q HN 0.182 nan 8.270 nan 0.000 0.422 340 K N 0.026 120.416 120.400 -0.017 0.000 2.097 340 K HA -0.085 4.236 4.320 0.001 0.000 0.205 340 K C 2.048 178.647 176.600 -0.002 0.000 1.050 340 K CA 1.099 57.385 56.287 -0.002 0.000 0.938 340 K CB 0.069 32.569 32.500 -0.001 0.000 0.718 340 K HN 0.016 nan 8.250 nan 0.000 0.442 341 V N 1.072 120.974 119.914 -0.019 0.000 2.453 341 V HA -0.167 3.953 4.120 0.001 0.000 0.247 341 V C 2.260 178.376 176.094 0.038 0.000 1.048 341 V CA 1.825 64.138 62.300 0.021 0.000 1.049 341 V CB -0.408 31.451 31.823 0.059 0.000 0.672 341 V HN 0.317 nan 8.190 nan 0.000 0.457 342 A N 0.176 123.015 122.820 0.031 0.000 1.877 342 A HA -0.202 4.119 4.320 0.001 0.000 0.216 342 A C 2.386 179.988 177.584 0.031 0.000 1.186 342 A CA 1.661 53.718 52.037 0.034 0.000 0.620 342 A CB -0.471 18.546 19.000 0.029 0.000 0.822 342 A HN 0.470 nan 8.150 nan 0.000 0.443 343 R N -0.530 119.986 120.500 0.027 0.000 2.081 343 R HA -0.110 4.231 4.340 0.001 0.000 0.235 343 R C 2.513 178.835 176.300 0.035 0.000 1.131 343 R CA 1.210 57.328 56.100 0.031 0.000 0.960 343 R CB -0.525 29.794 30.300 0.032 0.000 0.856 343 R HN 0.524 nan 8.270 nan 0.000 0.436 344 A N 0.801 123.643 122.820 0.036 0.000 1.865 344 A HA -0.151 4.170 4.320 0.001 0.000 0.217 344 A C 2.395 180.003 177.584 0.041 0.000 1.191 344 A CA 1.704 53.765 52.037 0.040 0.000 0.623 344 A CB -0.708 18.316 19.000 0.038 0.000 0.826 344 A HN 0.125 nan 8.150 nan 0.000 0.444 345 V N 0.133 120.071 119.914 0.040 0.000 2.295 345 V HA -0.281 3.840 4.120 0.001 0.000 0.246 345 V C 2.359 178.474 176.094 0.035 0.000 1.049 345 V CA 2.318 64.642 62.300 0.039 0.000 1.024 345 V CB -0.944 30.902 31.823 0.039 0.000 0.648 345 V HN 0.644 nan 8.190 nan 0.000 0.447 346 E N -0.472 119.747 120.200 0.033 0.000 2.265 346 E HA -0.234 4.117 4.350 0.001 0.000 0.196 346 E C 2.106 178.725 176.600 0.031 0.000 0.996 346 E CA 0.987 57.404 56.400 0.030 0.000 0.832 346 E CB -0.044 29.672 29.700 0.027 0.000 0.756 346 E HN 0.636 nan 8.360 nan 0.000 0.491 347 E N -1.082 119.139 120.200 0.035 0.000 2.478 347 E HA -0.016 4.334 4.350 0.001 0.000 0.194 347 E C 0.934 177.557 176.600 0.038 0.000 1.045 347 E CA 0.446 56.868 56.400 0.037 0.000 0.868 347 E CB 0.471 30.197 29.700 0.043 0.000 0.885 347 E HN 0.332 nan 8.360 nan 0.000 0.505 348 G N 0.224 109.046 108.800 0.037 0.000 2.367 348 G HA2 -0.170 3.791 3.960 0.001 0.000 0.181 348 G HA3 -0.170 3.791 3.960 0.001 0.000 0.181 348 G C 0.293 175.217 174.900 0.041 0.000 1.000 348 G CA -0.187 44.936 45.100 0.037 0.000 0.693 348 G HN 0.394 nan 8.290 nan 0.000 0.480 349 A N 0.552 123.398 122.820 0.044 0.000 2.520 349 A HA 0.569 4.890 4.320 0.001 0.000 0.235 349 A C 0.693 178.307 177.584 0.050 0.000 1.065 349 A CA 1.001 53.067 52.037 0.049 0.000 0.764 349 A CB 0.172 19.201 19.000 0.048 0.000 1.002 349 A HN 0.834 nan 8.150 nan 0.000 0.502 350 R N 2.621 123.156 120.500 0.058 0.000 2.288 350 R HA 0.457 4.798 4.340 0.001 0.000 0.326 350 R C -1.463 174.876 176.300 0.065 0.000 0.959 350 R CA -0.518 55.617 56.100 0.059 0.000 0.834 350 R CB 0.811 31.150 30.300 0.065 0.000 1.157 350 R HN 0.470 nan 8.270 nan 0.000 0.470 351 V N 5.183 125.132 119.914 0.058 0.000 2.403 351 V HA 0.094 4.215 4.120 0.001 0.000 0.265 351 V C 1.131 177.271 176.094 0.077 0.000 1.034 351 V CA 0.476 62.813 62.300 0.061 0.000 1.036 351 V CB 0.708 32.556 31.823 0.041 0.000 1.032 351 V HN 0.969 nan 8.190 nan 0.000 0.478 352 A N 5.171 128.053 122.820 0.103 0.000 2.238 352 A HA 0.493 4.814 4.320 0.001 0.000 0.210 352 A C 0.184 177.902 177.584 0.224 0.000 1.179 352 A CA 0.277 52.388 52.037 0.122 0.000 0.827 352 A CB 0.147 19.205 19.000 0.096 0.000 0.856 352 A HN 0.771 nan 8.150 nan 0.000 0.488 353 F N -2.483 117.469 119.950 0.005 0.000 2.686 353 F HA 0.441 4.968 4.527 0.001 0.000 0.315 353 F C 0.459 176.259 175.800 0.000 0.000 1.088 353 F CA 0.090 58.088 58.000 -0.003 0.000 1.034 353 F CB 0.085 39.078 39.000 -0.011 0.000 1.280 353 F HN 0.873 nan 8.300 nan 0.000 0.463 354 G N 3.161 111.476 108.800 -0.809 0.000 2.531 354 G HA2 0.295 4.256 3.960 0.001 0.000 0.274 354 G HA3 0.295 4.256 3.960 0.001 0.000 0.274 354 G C 1.229 175.931 174.900 -0.331 0.000 1.159 354 G CA 1.372 46.041 45.100 -0.718 0.000 0.969 354 G HN 2.652 nan 8.290 nan 0.000 0.554 355 G N -1.440 107.200 108.800 -0.266 0.000 2.136 355 G HA2 0.122 4.082 3.960 0.001 0.000 0.242 355 G HA3 0.122 4.082 3.960 0.001 0.000 0.242 355 G C 0.144 174.999 174.900 -0.074 0.000 0.989 355 G CA 1.654 46.722 45.100 -0.054 0.000 0.682 355 G HN 1.790 nan 8.290 nan 0.000 0.522 356 K N 0.233 120.448 120.400 -0.307 0.000 2.637 356 K HA 0.730 5.050 4.320 0.001 0.000 0.248 356 K C 0.257 176.637 176.600 -0.366 0.000 0.971 356 K CA 0.237 56.400 56.287 -0.206 0.000 0.858 356 K CB 1.115 33.528 32.500 -0.144 0.000 1.170 356 K HN 0.951 nan 8.250 nan 0.000 0.443 357 A N 3.275 126.020 122.820 -0.125 0.000 2.477 357 A HA 0.336 4.656 4.320 0.001 0.000 0.246 357 A C -0.223 177.315 177.584 -0.076 0.000 1.078 357 A CA -0.396 51.605 52.037 -0.060 0.000 0.770 357 A CB 0.300 19.448 19.000 0.247 0.000 1.011 357 A HN 0.526 nan 8.150 nan 0.000 0.494 358 V N 2.354 122.210 119.914 -0.096 0.000 2.686 358 V HA 0.185 4.305 4.120 0.001 0.000 0.295 358 V C 0.603 176.707 176.094 0.016 0.000 1.055 358 V CA -0.002 62.274 62.300 -0.039 0.000 1.050 358 V CB 1.207 33.009 31.823 -0.035 0.000 0.984 358 V HN 0.973 nan 8.190 nan 0.000 0.482 359 E N 2.168 122.377 120.200 0.014 0.000 2.176 359 E HA 0.639 4.989 4.350 0.001 0.000 0.267 359 E C -0.051 176.558 176.600 0.013 0.000 0.893 359 E CA 0.180 56.591 56.400 0.017 0.000 0.761 359 E CB 1.523 31.229 29.700 0.010 0.000 1.133 359 E HN 0.964 nan 8.360 nan 0.000 0.409 360 G N 2.964 111.768 108.800 0.008 0.000 2.362 360 G HA2 -0.034 3.927 3.960 0.001 0.000 0.288 360 G HA3 -0.034 3.927 3.960 0.001 0.000 0.288 360 G C -1.317 173.565 174.900 -0.029 0.000 1.305 360 G CA -1.086 44.011 45.100 -0.005 0.000 0.910 360 G HN 0.338 nan 8.290 nan 0.000 0.518 361 K N 0.747 121.125 120.400 -0.036 0.000 2.511 361 K HA 0.477 4.798 4.320 0.001 0.000 0.280 361 K C 0.894 177.440 176.600 -0.089 0.000 1.008 361 K CA 1.427 57.665 56.287 -0.081 0.000 1.050 361 K CB 0.168 32.642 32.500 -0.045 0.000 0.889 361 K HN 2.265 nan 8.250 nan 0.000 0.484 362 G N 2.505 111.083 108.800 -0.370 0.000 2.655 362 G HA2 -0.219 3.742 3.960 0.001 0.000 0.680 362 G HA3 -0.219 3.742 3.960 0.001 0.000 0.680 362 G C -1.476 172.925 174.900 -0.832 0.000 1.302 362 G CA -0.885 43.860 45.100 -0.591 0.000 0.872 362 G HN 0.467 nan 8.290 nan 0.000 0.540 363 Y N -0.009 120.026 120.300 -0.442 0.000 2.749 363 Y HA 0.606 5.156 4.550 0.001 0.000 0.343 363 Y C -0.142 175.451 175.900 -0.511 0.000 1.015 363 Y CA -0.833 57.049 58.100 -0.363 0.000 1.270 363 Y CB 0.930 39.185 38.460 -0.342 0.000 1.097 363 Y HN 0.544 nan 8.280 nan 0.000 0.571 364 Y N 1.029 121.290 120.300 -0.065 0.000 2.409 364 Y HA 0.524 5.074 4.550 0.001 0.000 0.339 364 Y C -0.874 174.884 175.900 -0.236 0.000 1.033 364 Y CA -1.563 56.402 58.100 -0.225 0.000 1.094 364 Y CB 1.658 39.857 38.460 -0.435 0.000 1.210 364 Y HN 0.437 nan 8.280 nan 0.000 0.456 365 Y N 4.923 125.061 120.300 -0.270 0.000 2.354 365 Y HA 0.439 4.990 4.550 0.001 0.000 0.330 365 Y C -2.677 173.014 175.900 -0.348 0.000 1.011 365 Y CA -2.861 55.084 58.100 -0.258 0.000 1.099 365 Y CB 1.873 40.246 38.460 -0.145 0.000 1.179 365 Y HN 0.378 nan 8.280 nan 0.000 0.442 366 P HA 0.146 nan 4.420 nan 0.000 0.272 366 P C -2.810 174.345 177.300 -0.241 0.000 1.223 366 P CA -1.340 61.501 63.100 -0.431 0.000 0.784 366 P CB 0.567 32.020 31.700 -0.411 0.000 0.923 367 P HA 0.040 nan 4.420 nan 0.000 0.265 367 P C -0.443 176.800 177.300 -0.095 0.000 1.193 367 P CA 0.648 63.794 63.100 0.077 0.000 0.765 367 P CB 0.154 32.023 31.700 0.283 0.000 0.823 368 T N 3.533 118.115 114.554 0.046 0.000 2.861 368 T HA 0.458 4.808 4.350 0.001 0.000 0.287 368 T C -0.644 174.134 174.700 0.129 0.000 1.003 368 T CA -0.406 61.708 62.100 0.023 0.000 0.977 368 T CB 1.136 70.061 68.868 0.094 0.000 0.996 368 T HN 0.198 nan 8.240 nan 0.000 0.448 369 L N 4.076 125.395 121.223 0.159 0.000 2.319 369 L HA 0.625 4.966 4.340 0.001 0.000 0.281 369 L C -1.473 175.461 176.870 0.107 0.000 1.005 369 L CA -0.607 54.319 54.840 0.143 0.000 0.828 369 L CB 0.784 42.946 42.059 0.172 0.000 1.227 369 L HN 0.589 nan 8.230 nan 0.000 0.415 370 L N 6.312 127.585 121.223 0.084 0.000 2.305 370 L HA 0.543 4.884 4.340 0.001 0.000 0.284 370 L C -0.466 176.452 176.870 0.081 0.000 1.013 370 L CA -0.464 54.420 54.840 0.075 0.000 0.819 370 L CB 1.437 43.532 42.059 0.060 0.000 1.227 370 L HN 0.538 nan 8.230 nan 0.000 0.417 371 L N 1.788 123.067 121.223 0.093 0.000 2.298 371 L HA 0.494 4.834 4.340 0.001 0.000 0.268 371 L C 0.030 176.967 176.870 0.111 0.000 1.010 371 L CA -0.904 54.013 54.840 0.128 0.000 0.812 371 L CB 1.073 43.224 42.059 0.153 0.000 1.331 371 L HN 0.604 nan 8.230 nan 0.000 0.450 372 D N 0.290 120.767 120.400 0.130 0.000 2.708 372 D HA -0.134 4.507 4.640 0.001 0.000 0.236 372 D C -0.515 175.824 176.300 0.064 0.000 1.146 372 D CA 0.454 54.499 54.000 0.077 0.000 0.662 372 D CB -1.190 39.646 40.800 0.060 0.000 1.059 372 D HN 0.067 nan 8.370 nan 0.000 0.428 373 V N 0.243 120.197 119.914 0.068 0.000 2.644 373 V HA 0.327 4.448 4.120 0.001 0.000 0.295 373 V C 1.104 177.232 176.094 0.057 0.000 1.053 373 V CA -0.347 61.985 62.300 0.053 0.000 0.987 373 V CB 1.893 33.736 31.823 0.034 0.000 1.006 373 V HN 0.014 nan 8.190 nan 0.000 0.472 374 R N 1.862 122.400 120.500 0.064 0.000 2.532 374 R HA 0.306 4.647 4.340 0.001 0.000 0.295 374 R C 0.705 177.067 176.300 0.105 0.000 0.968 374 R CA -0.769 55.381 56.100 0.083 0.000 0.916 374 R CB 1.279 31.625 30.300 0.077 0.000 1.124 374 R HN 0.652 nan 8.270 nan 0.000 0.463 375 Q N 1.768 121.653 119.800 0.142 0.000 2.325 375 Q HA -0.231 4.109 4.340 0.001 0.000 0.211 375 Q C 0.545 176.692 176.000 0.245 0.000 0.988 375 Q CA 2.008 57.922 55.803 0.185 0.000 0.887 375 Q CB 0.133 29.002 28.738 0.218 0.000 0.915 375 Q HN 0.653 nan 8.270 nan 0.000 0.440 376 E N -0.705 119.616 120.200 0.201 0.000 2.158 376 E HA -0.005 4.346 4.350 0.001 0.000 0.191 376 E C 0.151 176.879 176.600 0.214 0.000 0.982 376 E CA 0.164 56.687 56.400 0.205 0.000 0.823 376 E CB -0.123 29.645 29.700 0.114 0.000 0.766 376 E HN 0.354 nan 8.360 nan 0.000 0.468 377 M N 1.910 121.604 119.600 0.156 0.000 2.255 377 M HA -0.100 4.381 4.480 0.001 0.000 0.356 377 M C 1.357 177.762 176.300 0.174 0.000 1.338 377 M CA 0.132 55.508 55.300 0.127 0.000 0.962 377 M CB 0.624 33.273 32.600 0.081 0.000 1.877 377 M HN 0.165 nan 8.290 nan 0.000 0.463 378 S N 3.616 119.406 115.700 0.150 0.000 2.407 378 S HA -0.212 4.259 4.470 0.001 0.000 0.235 378 S C 1.520 176.197 174.600 0.129 0.000 1.036 378 S CA 1.560 59.858 58.200 0.163 0.000 1.013 378 S CB -0.667 62.595 63.200 0.103 0.000 0.820 378 S HN 0.866 nan 8.310 nan 0.000 0.476 379 I N 0.166 120.781 120.570 0.075 0.000 2.850 379 I HA -0.047 4.124 4.170 0.001 0.000 0.266 379 I C 1.348 177.462 176.117 -0.004 0.000 1.257 379 I CA 1.063 62.384 61.300 0.034 0.000 1.465 379 I CB -0.115 37.898 38.000 0.022 0.000 1.091 379 I HN 0.293 nan 8.210 nan 0.000 0.467 380 M N -0.767 118.809 119.600 -0.039 0.000 2.428 380 M HA 0.113 4.594 4.480 0.001 0.000 0.239 380 M C 0.450 176.509 176.300 -0.401 0.000 1.121 380 M CA 0.803 55.979 55.300 -0.206 0.000 1.019 380 M CB -0.511 31.932 32.600 -0.261 0.000 1.485 380 M HN 0.244 nan 8.290 nan 0.000 0.484 381 H N -1.096 118.032 119.070 0.096 0.000 2.750 381 H HA 0.512 5.069 4.556 0.001 0.000 0.239 381 H C -0.715 174.693 175.328 0.132 0.000 1.210 381 H CA 0.009 56.132 56.048 0.124 0.000 0.936 381 H CB 1.058 30.877 29.762 0.095 0.000 2.074 381 H HN 0.192 nan 8.280 nan 0.000 0.622 382 E N 1.495 121.789 120.200 0.157 0.000 2.287 382 E HA 0.114 4.464 4.350 0.001 0.000 0.274 382 E C -0.811 175.778 176.600 -0.019 0.000 0.896 382 E CA -0.430 56.034 56.400 0.106 0.000 0.788 382 E CB 2.251 31.999 29.700 0.080 0.000 1.244 382 E HN 0.230 nan 8.360 nan 0.000 0.408 383 E N 2.347 122.477 120.200 -0.117 0.000 2.498 383 E HA -0.027 4.324 4.350 0.001 0.000 0.252 383 E C 0.182 176.586 176.600 -0.326 0.000 1.025 383 E CA 0.493 56.704 56.400 -0.314 0.000 0.938 383 E CB 0.606 30.017 29.700 -0.482 0.000 0.947 383 E HN 0.565 nan 8.360 nan 0.000 0.478 384 T N 4.583 119.004 114.554 -0.223 0.000 2.639 384 T HA -0.066 4.285 4.350 0.001 0.000 0.261 384 T C 0.515 175.201 174.700 -0.023 0.000 1.053 384 T CA 1.578 63.613 62.100 -0.109 0.000 1.158 384 T CB -0.251 68.591 68.868 -0.043 0.000 0.863 384 T HN 0.779 nan 8.240 nan 0.000 0.413 385 F N -1.169 118.768 119.950 -0.021 0.000 2.487 385 F HA -0.151 4.377 4.527 0.001 0.000 0.769 385 F C 1.289 177.091 175.800 0.004 0.000 0.486 385 F CA 0.295 58.303 58.000 0.013 0.000 0.874 385 F CB -1.337 37.652 39.000 -0.019 0.000 1.685 385 F HN 0.405 nan 8.300 nan 0.000 0.282 386 G N 1.463 110.376 108.800 0.188 0.000 2.631 386 G HA2 0.381 4.342 3.960 0.001 0.000 0.271 386 G HA3 0.381 4.342 3.960 0.001 0.000 0.271 386 G C -2.477 172.476 174.900 0.088 0.000 1.302 386 G CA 0.046 45.195 45.100 0.081 0.000 1.002 386 G HN 0.226 nan 8.290 nan 0.000 0.519 387 P HA 0.245 nan 4.420 nan 0.000 0.231 387 P C -0.781 176.595 177.300 0.127 0.000 1.811 387 P CA -0.055 63.115 63.100 0.117 0.000 1.051 387 P CB 0.323 32.100 31.700 0.129 0.000 1.951 388 V N 3.971 123.939 119.914 0.090 0.000 2.540 388 V HA 0.364 4.485 4.120 0.001 0.000 0.302 388 V C 0.321 176.450 176.094 0.059 0.000 1.035 388 V CA -0.676 61.675 62.300 0.086 0.000 0.873 388 V CB 2.608 34.466 31.823 0.057 0.000 0.992 388 V HN 0.268 nan 8.190 nan 0.000 0.428 389 L N 7.425 128.688 121.223 0.067 0.000 2.324 389 L HA 0.476 4.816 4.340 0.001 0.000 0.274 389 L C -2.405 174.488 176.870 0.038 0.000 1.012 389 L CA -1.474 53.395 54.840 0.048 0.000 0.859 389 L CB 2.507 44.601 42.059 0.060 0.000 1.224 389 L HN 0.441 nan 8.230 nan 0.000 0.429 390 P HA 0.266 nan 4.420 nan 0.000 0.284 390 P C -0.949 176.331 177.300 -0.034 0.000 1.253 390 P CA -0.347 62.748 63.100 -0.008 0.000 0.800 390 P CB 2.414 34.092 31.700 -0.037 0.000 0.961 391 V N 3.512 123.431 119.914 0.008 0.000 2.656 391 V HA 0.418 4.539 4.120 0.001 0.000 0.307 391 V C 0.060 176.196 176.094 0.069 0.000 1.051 391 V CA -0.715 61.606 62.300 0.036 0.000 0.893 391 V CB 2.344 34.245 31.823 0.130 0.000 0.999 391 V HN 0.297 nan 8.190 nan 0.000 0.426 392 V N 2.988 122.922 119.914 0.032 0.000 2.638 392 V HA 0.828 4.948 4.120 0.001 0.000 0.306 392 V C 0.273 176.527 176.094 0.267 0.000 1.052 392 V CA -0.565 61.803 62.300 0.113 0.000 0.885 392 V CB 1.923 33.776 31.823 0.051 0.000 0.999 392 V HN 1.045 nan 8.190 nan 0.000 0.424 393 A N 4.469 127.395 122.820 0.177 0.000 2.279 393 A HA 1.028 5.348 4.320 0.001 0.000 0.303 393 A C -0.763 176.948 177.584 0.211 0.000 1.108 393 A CA -0.251 51.838 52.037 0.087 0.000 0.830 393 A CB 0.816 19.641 19.000 -0.292 0.000 1.106 393 A HN 1.350 nan 8.150 nan 0.000 0.493 394 F N -1.716 118.270 119.950 0.060 0.000 2.713 394 F HA 0.575 5.103 4.527 0.001 0.000 0.311 394 F C -0.399 175.418 175.800 0.028 0.000 1.141 394 F CA -0.979 57.051 58.000 0.051 0.000 0.939 394 F CB 0.832 39.878 39.000 0.077 0.000 1.325 394 F HN 0.412 nan 8.300 nan 0.000 0.453 395 D N -0.005 120.521 120.400 0.211 0.000 2.566 395 D HA 0.076 4.717 4.640 0.001 0.000 0.253 395 D C 0.567 176.998 176.300 0.218 0.000 0.992 395 D CA 1.672 55.727 54.000 0.092 0.000 0.940 395 D CB 0.387 41.228 40.800 0.070 0.000 1.095 395 D HN 0.679 nan 8.370 nan 0.000 0.480 396 T N -0.822 113.920 114.554 0.313 0.000 2.945 396 T HA 0.312 4.663 4.350 0.001 0.000 0.286 396 T C 1.089 175.928 174.700 0.231 0.000 1.025 396 T CA -0.776 61.466 62.100 0.236 0.000 1.039 396 T CB 2.333 71.267 68.868 0.110 0.000 1.068 396 T HN -0.163 nan 8.240 nan 0.000 0.497 397 L N 0.936 122.241 121.223 0.137 0.000 2.042 397 L HA 0.003 4.344 4.340 0.001 0.000 0.210 397 L C 2.334 179.140 176.870 -0.107 0.000 1.076 397 L CA 1.960 56.802 54.840 0.004 0.000 0.749 397 L CB -1.115 40.957 42.059 0.021 0.000 0.893 397 L HN 0.800 nan 8.230 nan 0.000 0.432 398 E N 0.050 120.223 120.200 -0.044 0.000 2.118 398 E HA -0.210 4.140 4.350 0.001 0.000 0.195 398 E C 1.897 178.437 176.600 -0.101 0.000 0.992 398 E CA 1.478 57.843 56.400 -0.059 0.000 0.804 398 E CB -0.347 29.342 29.700 -0.018 0.000 0.741 398 E HN 0.573 nan 8.360 nan 0.000 0.458 399 D N -0.089 120.256 120.400 -0.091 0.000 2.084 399 D HA -0.112 4.529 4.640 0.001 0.000 0.196 399 D C 1.891 178.002 176.300 -0.315 0.000 0.985 399 D CA 1.567 55.499 54.000 -0.112 0.000 0.826 399 D CB -0.511 40.303 40.800 0.023 0.000 0.978 399 D HN 0.208 nan 8.370 nan 0.000 0.456 400 A N 0.937 123.384 122.820 -0.622 0.000 1.883 400 A HA -0.176 4.145 4.320 0.001 0.000 0.217 400 A C 2.423 179.634 177.584 -0.622 0.000 1.186 400 A CA 1.162 52.625 52.037 -0.958 0.000 0.624 400 A CB -0.834 17.280 19.000 -1.476 0.000 0.822 400 A HN 0.205 nan 8.150 nan 0.000 0.444 401 I N -0.896 119.441 120.570 -0.388 0.000 2.179 401 I HA -0.215 3.955 4.170 0.001 0.000 0.242 401 I C 2.851 178.856 176.117 -0.186 0.000 1.088 401 I CA 1.524 62.679 61.300 -0.242 0.000 1.357 401 I CB -0.336 37.577 38.000 -0.145 0.000 1.051 401 I HN 0.427 nan 8.210 nan 0.000 0.409 402 S N 0.716 116.316 115.700 -0.166 0.000 2.370 402 S HA -0.206 4.265 4.470 0.001 0.000 0.226 402 S C 2.114 176.645 174.600 -0.115 0.000 1.033 402 S CA 1.528 59.667 58.200 -0.103 0.000 1.011 402 S CB -0.158 62.998 63.200 -0.075 0.000 0.852 402 S HN 0.295 nan 8.310 nan 0.000 0.457 403 M N 0.521 119.983 119.600 -0.231 0.000 2.254 403 M HA 0.041 4.521 4.480 0.001 0.000 0.265 403 M C 2.432 178.568 176.300 -0.274 0.000 1.066 403 M CA 1.129 56.283 55.300 -0.244 0.000 1.123 403 M CB -0.427 31.941 32.600 -0.387 0.000 1.388 403 M HN 0.491 nan 8.290 nan 0.000 0.425 404 A N 0.876 123.465 122.820 -0.384 0.000 1.898 404 A HA -0.129 4.192 4.320 0.001 0.000 0.216 404 A C 1.784 179.485 177.584 0.194 0.000 1.181 404 A CA 1.537 53.482 52.037 -0.153 0.000 0.620 404 A CB -0.628 18.238 19.000 -0.224 0.000 0.819 404 A HN 0.444 nan 8.150 nan 0.000 0.442 405 N N 0.385 119.159 118.700 0.124 0.000 2.512 405 N HA -0.079 4.661 4.740 0.001 0.000 0.183 405 N C 0.009 175.558 175.510 0.065 0.000 1.073 405 N CA 0.829 53.941 53.050 0.104 0.000 0.911 405 N CB -0.303 38.207 38.487 0.038 0.000 0.964 405 N HN 0.494 nan 8.380 nan 0.000 0.447 406 D N 0.695 121.148 120.400 0.089 0.000 2.600 406 D HA 0.119 4.760 4.640 0.001 0.000 0.226 406 D C -0.813 175.620 176.300 0.220 0.000 1.119 406 D CA 0.050 54.130 54.000 0.133 0.000 1.051 406 D CB -0.214 40.682 40.800 0.160 0.000 1.106 406 D HN -0.095 nan 8.370 nan 0.000 0.491 407 S N 1.307 117.099 115.700 0.153 0.000 2.552 407 S HA 0.205 4.676 4.470 0.001 0.000 0.272 407 S C -0.156 174.467 174.600 0.039 0.000 1.150 407 S CA -0.806 57.507 58.200 0.188 0.000 0.849 407 S CB 1.249 64.600 63.200 0.252 0.000 1.113 407 S HN 0.110 nan 8.310 nan 0.000 0.458 408 D N 1.071 121.441 120.400 -0.050 0.000 2.349 408 D HA 0.164 4.805 4.640 0.001 0.000 0.215 408 D C -0.453 175.616 176.300 -0.385 0.000 1.016 408 D CA 0.864 54.707 54.000 -0.262 0.000 0.870 408 D CB 0.077 40.637 40.800 -0.401 0.000 0.917 408 D HN 0.485 nan 8.370 nan 0.000 0.524 409 Y N -0.560 119.745 120.300 0.008 0.000 2.420 409 Y HA 0.545 5.095 4.550 0.001 0.000 0.334 409 Y C 1.289 177.133 175.900 -0.093 0.000 1.094 409 Y CA -0.800 57.300 58.100 0.000 0.000 1.126 409 Y CB 2.320 40.810 38.460 0.050 0.000 1.217 409 Y HN -0.200 nan 8.280 nan 0.000 0.462 410 G N 1.855 110.679 108.800 0.040 0.000 5.102 410 G HA2 0.215 4.175 3.960 0.001 0.000 0.212 410 G HA3 0.215 4.175 3.960 0.001 0.000 0.212 410 G C -0.269 174.604 174.900 -0.045 0.000 0.832 410 G CA -0.132 44.785 45.100 -0.304 0.000 0.718 410 G HN 0.601 nan 8.290 nan 0.000 0.506 411 L N 0.036 121.358 121.223 0.165 0.000 2.187 411 L HA 0.534 4.875 4.340 0.001 0.000 0.197 411 L C 0.852 177.808 176.870 0.143 0.000 1.090 411 L CA 1.653 56.538 54.840 0.076 0.000 0.781 411 L CB 0.333 42.404 42.059 0.019 0.000 0.956 411 L HN 0.101 nan 8.230 nan 0.000 0.463 412 T N -0.395 114.302 114.554 0.238 0.000 2.907 412 T HA 0.680 5.030 4.350 0.001 0.000 0.292 412 T C -0.823 173.801 174.700 -0.127 0.000 1.043 412 T CA -0.191 61.995 62.100 0.143 0.000 1.003 412 T CB 1.749 70.737 68.868 0.200 0.000 1.084 412 T HN 0.420 nan 8.240 nan 0.000 0.483 413 S N 0.461 116.027 115.700 -0.223 0.000 2.625 413 S HA 0.910 5.381 4.470 0.001 0.000 0.271 413 S C -1.083 173.428 174.600 -0.148 0.000 1.161 413 S CA -0.818 57.098 58.200 -0.474 0.000 0.820 413 S CB 1.827 64.409 63.200 -1.031 0.000 1.137 413 S HN 1.143 nan 8.310 nan 0.000 0.470 414 S N 0.407 116.014 115.700 -0.154 0.000 2.550 414 S HA 0.821 5.292 4.470 0.001 0.000 0.270 414 S C -1.238 173.261 174.600 -0.169 0.000 1.145 414 S CA -0.817 57.319 58.200 -0.106 0.000 0.852 414 S CB 1.335 64.532 63.200 -0.005 0.000 1.119 414 S HN 1.411 nan 8.310 nan 0.000 0.465 415 I N 1.138 121.500 120.570 -0.347 0.000 2.841 415 I HA 0.613 4.784 4.170 0.001 0.000 0.298 415 I C -2.281 173.520 176.117 -0.527 0.000 1.304 415 I CA -0.945 60.198 61.300 -0.262 0.000 1.019 415 I CB 1.858 39.774 38.000 -0.140 0.000 1.282 415 I HN 0.879 nan 8.210 nan 0.000 0.432 416 Y N 4.950 125.261 120.300 0.017 0.000 2.326 416 Y HA 0.713 5.264 4.550 0.001 0.000 0.331 416 Y C 0.158 176.074 175.900 0.026 0.000 0.962 416 Y CA -0.573 57.543 58.100 0.026 0.000 1.167 416 Y CB 2.023 40.501 38.460 0.029 0.000 1.148 416 Y HN 0.500 nan 8.280 nan 0.000 0.463 417 T N 1.333 115.954 114.554 0.112 0.000 2.718 417 T HA 0.305 4.656 4.350 0.001 0.000 0.306 417 T C -0.548 174.188 174.700 0.060 0.000 1.485 417 T CA -0.490 61.660 62.100 0.083 0.000 0.997 417 T CB 1.561 70.463 68.868 0.056 0.000 1.504 417 T HN 0.708 nan 8.240 nan 0.000 0.497 418 Q N 0.555 120.386 119.800 0.051 0.000 2.140 418 Q HA 0.281 4.621 4.340 0.001 0.000 0.227 418 Q C 0.126 176.144 176.000 0.030 0.000 0.798 418 Q CA -0.392 55.435 55.803 0.040 0.000 0.987 418 Q CB 0.646 29.410 28.738 0.043 0.000 1.161 418 Q HN 0.462 nan 8.270 nan 0.000 0.480 419 N N 1.449 120.166 118.700 0.029 0.000 2.455 419 N HA 0.056 4.796 4.740 0.001 0.000 0.280 419 N C 0.575 176.095 175.510 0.016 0.000 1.055 419 N CA -0.039 53.024 53.050 0.023 0.000 0.961 419 N CB 1.645 40.147 38.487 0.026 0.000 1.121 419 N HN 0.109 nan 8.380 nan 0.000 0.476 420 L N 4.977 126.208 121.223 0.013 0.000 2.017 420 L HA -0.086 4.254 4.340 0.001 0.000 0.208 420 L C 1.847 178.721 176.870 0.006 0.000 1.073 420 L CA 1.683 56.528 54.840 0.009 0.000 0.745 420 L CB -0.777 41.287 42.059 0.009 0.000 0.894 420 L HN 0.658 nan 8.230 nan 0.000 0.432 421 N N -0.634 118.072 118.700 0.009 0.000 2.188 421 N HA -0.137 4.603 4.740 0.001 0.000 0.184 421 N C 1.823 177.336 175.510 0.005 0.000 1.018 421 N CA 1.556 54.610 53.050 0.007 0.000 0.858 421 N CB 0.051 38.544 38.487 0.010 0.000 0.989 421 N HN 0.291 nan 8.380 nan 0.000 0.426 422 V N 1.802 121.722 119.914 0.009 0.000 2.255 422 V HA -0.247 3.873 4.120 0.001 0.000 0.247 422 V C 2.535 178.625 176.094 -0.006 0.000 1.051 422 V CA 1.941 64.246 62.300 0.008 0.000 1.018 422 V CB -0.979 30.858 31.823 0.022 0.000 0.641 422 V HN 0.318 nan 8.190 nan 0.000 0.445 423 A N -0.248 122.568 122.820 -0.008 0.000 1.859 423 A HA -0.269 4.051 4.320 0.001 0.000 0.217 423 A C 2.170 179.739 177.584 -0.024 0.000 1.198 423 A CA 2.419 54.443 52.037 -0.022 0.000 0.629 423 A CB -0.569 18.420 19.000 -0.018 0.000 0.830 423 A HN 0.429 nan 8.150 nan 0.000 0.446 424 M N -0.666 118.925 119.600 -0.014 0.000 2.279 424 M HA -0.065 4.415 4.480 0.001 0.000 0.264 424 M C 1.930 178.223 176.300 -0.012 0.000 1.062 424 M CA 1.600 56.893 55.300 -0.011 0.000 1.099 424 M CB -1.196 31.401 32.600 -0.003 0.000 1.394 424 M HN 0.527 nan 8.290 nan 0.000 0.426 425 K N 0.049 120.441 120.400 -0.013 0.000 2.076 425 K HA 0.042 4.362 4.320 0.001 0.000 0.204 425 K C 2.027 178.611 176.600 -0.027 0.000 1.051 425 K CA 1.089 57.368 56.287 -0.014 0.000 0.949 425 K CB 0.073 32.567 32.500 -0.010 0.000 0.726 425 K HN 0.218 nan 8.250 nan 0.000 0.443 426 A N 1.202 123.999 122.820 -0.039 0.000 1.898 426 A HA -0.117 4.203 4.320 0.001 0.000 0.216 426 A C 2.039 179.587 177.584 -0.060 0.000 1.181 426 A CA 1.238 53.239 52.037 -0.061 0.000 0.620 426 A CB -0.567 18.388 19.000 -0.075 0.000 0.819 426 A HN 0.279 nan 8.150 nan 0.000 0.442 427 I N -0.485 120.054 120.570 -0.052 0.000 2.127 427 I HA -0.305 3.866 4.170 0.001 0.000 0.241 427 I C 2.602 178.703 176.117 -0.026 0.000 1.075 427 I CA 2.082 63.353 61.300 -0.048 0.000 1.334 427 I CB -0.230 37.748 38.000 -0.037 0.000 1.040 427 I HN 0.371 nan 8.210 nan 0.000 0.405 428 K N 0.769 121.162 120.400 -0.011 0.000 2.155 428 K HA -0.105 4.215 4.320 0.001 0.000 0.203 428 K C 2.011 178.619 176.600 0.012 0.000 1.052 428 K CA 1.368 57.661 56.287 0.009 0.000 0.948 428 K CB -0.155 32.352 32.500 0.011 0.000 0.728 428 K HN 0.388 nan 8.250 nan 0.000 0.448 429 G N 0.884 109.680 108.800 -0.006 0.000 2.453 429 G HA2 0.022 3.982 3.960 0.001 0.000 0.215 429 G HA3 0.022 3.982 3.960 0.001 0.000 0.215 429 G C 0.462 175.362 174.900 -0.000 0.000 1.147 429 G CA -0.143 44.954 45.100 -0.005 0.000 0.802 429 G HN 0.112 nan 8.290 nan 0.000 0.535 430 L N 1.244 122.458 121.223 -0.014 0.000 2.418 430 L HA 0.199 4.540 4.340 0.001 0.000 0.274 430 L C 0.186 177.045 176.870 -0.020 0.000 1.135 430 L CA -0.036 54.830 54.840 0.043 0.000 0.870 430 L CB 1.038 43.086 42.059 -0.018 0.000 1.154 430 L HN 0.025 nan 8.230 nan 0.000 0.462 431 K N 4.966 125.335 120.400 -0.051 0.000 2.363 431 K HA 0.378 4.699 4.320 0.001 0.000 0.240 431 K C -1.185 174.663 176.600 -1.253 0.000 1.169 431 K CA -0.076 55.894 56.287 -0.528 0.000 1.131 431 K CB 0.071 32.520 32.500 -0.085 0.000 1.771 431 K HN 0.229 nan 8.250 nan 0.000 0.380 432 F N -1.683 117.460 119.950 -1.345 0.000 2.613 432 F HA 0.303 4.831 4.527 0.001 0.000 0.314 432 F C 1.477 176.471 175.800 -1.342 0.000 1.075 432 F CA -1.084 56.229 58.000 -1.144 0.000 0.945 432 F CB 1.405 40.103 39.000 -0.504 0.000 1.310 432 F HN 0.226 nan 8.300 nan 0.000 0.467 433 G N -0.246 108.165 108.800 -0.649 0.000 2.534 433 G HA2 0.098 4.059 3.960 0.001 0.000 0.217 433 G HA3 0.098 4.059 3.960 0.001 0.000 0.217 433 G C -0.157 174.680 174.900 -0.104 0.000 1.128 433 G CA 0.403 45.379 45.100 -0.207 0.000 0.784 433 G HN 0.562 nan 8.290 nan 0.000 0.542 434 E N -1.008 119.128 120.200 -0.106 0.000 2.343 434 E HA 0.481 4.831 4.350 0.001 0.000 0.278 434 E C -1.609 174.883 176.600 -0.179 0.000 0.910 434 E CA -0.585 55.735 56.400 -0.134 0.000 0.757 434 E CB 2.166 31.833 29.700 -0.055 0.000 1.218 434 E HN -0.050 nan 8.360 nan 0.000 0.435 435 T N 1.814 116.190 114.554 -0.297 0.000 2.949 435 T HA 0.328 4.679 4.350 0.001 0.000 0.300 435 T C -1.370 173.123 174.700 -0.345 0.000 0.988 435 T CA -0.611 61.338 62.100 -0.252 0.000 0.993 435 T CB 0.205 68.955 68.868 -0.196 0.000 0.984 435 T HN 0.254 nan 8.240 nan 0.000 0.442 436 Y N 2.564 122.784 120.300 -0.133 0.000 2.320 436 Y HA 0.610 5.161 4.550 0.001 0.000 0.334 436 Y C 0.462 176.224 175.900 -0.229 0.000 1.055 436 Y CA -1.089 56.933 58.100 -0.130 0.000 1.143 436 Y CB 0.892 39.298 38.460 -0.090 0.000 1.193 436 Y HN 0.485 nan 8.280 nan 0.000 0.477 437 I N 3.956 124.477 120.570 -0.082 0.000 2.410 437 I HA 0.214 4.384 4.170 0.001 0.000 0.286 437 I C -0.551 175.470 176.117 -0.160 0.000 1.009 437 I CA -0.843 60.346 61.300 -0.185 0.000 1.111 437 I CB 1.204 39.132 38.000 -0.120 0.000 1.262 437 I HN 0.713 nan 8.210 nan 0.000 0.443 438 N N 5.400 123.904 118.700 -0.327 0.000 2.725 438 N HA -0.221 4.520 4.740 0.001 0.000 0.251 438 N C -0.508 175.062 175.510 0.100 0.000 1.031 438 N CA 0.937 53.958 53.050 -0.048 0.000 0.720 438 N CB -0.764 37.752 38.487 0.047 0.000 0.930 438 N HN 0.838 nan 8.380 nan 0.000 0.543 439 R N -2.002 118.565 120.500 0.112 0.000 2.774 439 R HA 0.373 4.714 4.340 0.001 0.000 0.279 439 R C -0.868 175.534 176.300 0.170 0.000 1.022 439 R CA -1.129 55.076 56.100 0.174 0.000 0.855 439 R CB 0.939 31.321 30.300 0.137 0.000 1.279 439 R HN -0.050 nan 8.270 nan 0.000 0.485 440 E N 1.481 121.741 120.200 0.100 0.000 2.349 440 E HA 0.167 4.518 4.350 0.001 0.000 0.262 440 E C -0.943 175.489 176.600 -0.280 0.000 1.088 440 E CA -0.674 55.721 56.400 -0.008 0.000 0.899 440 E CB 0.466 30.165 29.700 -0.001 0.000 1.044 440 E HN 0.520 nan 8.360 nan 0.000 0.420 441 N N 2.188 120.613 118.700 -0.459 0.000 2.405 441 N HA 0.223 4.964 4.740 0.001 0.000 0.260 441 N C -1.003 174.235 175.510 -0.453 0.000 1.152 441 N CA 0.097 52.557 53.050 -0.983 0.000 0.948 441 N CB -0.055 38.069 38.487 -0.605 0.000 1.111 441 N HN 0.500 nan 8.380 nan 0.000 0.485 442 F N 1.977 121.568 119.950 -0.597 0.000 3.055 442 F HA 0.007 4.535 4.527 0.001 0.000 0.358 442 F C -0.361 175.439 175.800 -0.000 0.000 1.262 442 F CA -1.047 56.808 58.000 -0.242 0.000 1.172 442 F CB 1.129 40.004 39.000 -0.209 0.000 1.503 442 F HN 0.319 nan 8.300 nan 0.000 0.621 443 E N 4.383 124.693 120.200 0.183 0.000 2.392 443 E HA 0.367 4.717 4.350 0.001 0.000 0.264 443 E C -0.681 175.820 176.600 -0.165 0.000 1.024 443 E CA -0.301 56.158 56.400 0.097 0.000 0.903 443 E CB 1.754 31.514 29.700 0.101 0.000 0.963 443 E HN 0.566 nan 8.360 nan 0.000 0.432 444 A N 3.900 126.694 122.820 -0.043 0.000 2.302 444 A HA 0.282 4.603 4.320 0.001 0.000 0.285 444 A C 1.423 179.024 177.584 0.028 0.000 1.105 444 A CA -0.324 51.670 52.037 -0.072 0.000 0.816 444 A CB 0.321 19.294 19.000 -0.046 0.000 1.067 444 A HN 0.897 nan 8.150 nan 0.000 0.489 445 M N 1.067 120.656 119.600 -0.018 0.000 2.374 445 M HA -0.131 4.350 4.480 0.001 0.000 0.264 445 M C 1.398 177.518 176.300 -0.300 0.000 1.067 445 M CA 1.856 57.101 55.300 -0.092 0.000 1.103 445 M CB -0.380 31.972 32.600 -0.413 0.000 1.402 445 M HN 0.766 nan 8.290 nan 0.000 0.444 446 Q N 1.480 121.109 119.800 -0.285 0.000 2.320 446 Q HA 0.295 4.636 4.340 0.001 0.000 0.201 446 Q C 0.763 176.846 176.000 0.139 0.000 0.910 446 Q CA 0.599 56.364 55.803 -0.064 0.000 0.946 446 Q CB -0.188 28.522 28.738 -0.046 0.000 1.062 446 Q HN 0.504 nan 8.270 nan 0.000 0.503 447 G N 1.027 109.920 108.800 0.156 0.000 2.630 447 G HA2 0.403 4.363 3.960 0.001 0.000 0.223 447 G HA3 0.403 4.363 3.960 0.001 0.000 0.223 447 G C -1.301 173.841 174.900 0.404 0.000 1.434 447 G CA -0.502 44.738 45.100 0.233 0.000 1.057 447 G HN 0.238 nan 8.290 nan 0.000 0.570 448 F N -0.019 120.051 119.950 0.199 0.000 2.941 448 F HA 0.373 4.901 4.527 0.001 0.000 0.359 448 F C -0.993 174.948 175.800 0.234 0.000 1.231 448 F CA -1.322 56.812 58.000 0.225 0.000 1.089 448 F CB 1.223 40.338 39.000 0.192 0.000 1.407 448 F HN 0.468 nan 8.300 nan 0.000 0.538 449 H N 4.832 123.889 119.070 -0.022 0.000 3.008 449 H HA 0.727 5.284 4.556 0.001 0.000 0.268 449 H C -1.054 174.071 175.328 -0.340 0.000 1.323 449 H CA 0.189 56.183 56.048 -0.090 0.000 1.401 449 H CB 0.257 30.060 29.762 0.067 0.000 1.556 449 H HN 0.668 nan 8.280 nan 0.000 0.502 450 A N 3.841 126.312 122.820 -0.582 0.000 2.375 450 A HA 0.604 4.925 4.320 0.001 0.000 0.295 450 A C 0.147 177.598 177.584 -0.220 0.000 1.066 450 A CA -0.267 51.446 52.037 -0.540 0.000 0.722 450 A CB 0.962 19.407 19.000 -0.925 0.000 1.206 450 A HN 0.784 nan 8.150 nan 0.000 0.435 451 G N 0.866 109.584 108.800 -0.136 0.000 2.400 451 G HA2 0.497 4.457 3.960 0.001 0.000 0.301 451 G HA3 0.497 4.457 3.960 0.001 0.000 0.301 451 G C -0.604 174.409 174.900 0.188 0.000 1.154 451 G CA -0.392 44.723 45.100 0.025 0.000 0.852 451 G HN 0.573 nan 8.290 nan 0.000 0.511 452 W N 0.635 121.855 121.300 -0.133 0.000 2.253 452 W HA 0.597 5.258 4.660 0.001 0.000 0.348 452 W C 1.375 177.807 176.519 -0.145 0.000 1.229 452 W CA -1.018 56.238 57.345 -0.147 0.000 1.335 452 W CB 0.331 29.669 29.460 -0.203 0.000 1.165 452 W HN 0.882 nan 8.180 nan 0.000 0.631 453 R N 0.324 120.858 120.500 0.056 0.000 3.750 453 R HA -0.347 3.993 4.340 0.001 0.000 0.495 453 R C 1.237 177.507 176.300 -0.051 0.000 0.241 453 R CA 1.986 58.067 56.100 -0.031 0.000 1.551 453 R CB -1.135 29.134 30.300 -0.052 0.000 0.956 453 R HN 0.470 nan 8.270 nan 0.000 0.584 454 K N 1.026 121.361 120.400 -0.107 0.000 2.525 454 K HA 0.080 4.401 4.320 0.001 0.000 0.192 454 K C 1.551 178.150 176.600 -0.003 0.000 1.029 454 K CA 0.728 56.944 56.287 -0.117 0.000 1.029 454 K CB 0.152 32.485 32.500 -0.278 0.000 0.814 454 K HN 0.260 nan 8.250 nan 0.000 0.503 455 S N 0.470 116.213 115.700 0.071 0.000 2.515 455 S HA 0.026 4.497 4.470 0.001 0.000 0.231 455 S C 0.777 175.413 174.600 0.060 0.000 0.987 455 S CA 0.625 58.913 58.200 0.147 0.000 0.936 455 S CB 0.275 63.561 63.200 0.142 0.000 0.766 455 S HN 0.612 nan 8.310 nan 0.000 0.528 456 G N -0.045 108.769 108.800 0.023 0.000 2.343 456 G HA2 0.405 4.365 3.960 0.001 0.000 0.289 456 G HA3 0.405 4.365 3.960 0.001 0.000 0.289 456 G C -2.086 172.801 174.900 -0.022 0.000 1.295 456 G CA -0.975 44.123 45.100 -0.003 0.000 0.869 456 G HN 0.142 nan 8.290 nan 0.000 0.522 457 I N 0.868 121.422 120.570 -0.026 0.000 2.571 457 I HA 0.584 4.755 4.170 0.001 0.000 0.289 457 I C 0.761 176.867 176.117 -0.018 0.000 1.115 457 I CA 0.448 61.731 61.300 -0.030 0.000 1.045 457 I CB 1.771 39.754 38.000 -0.029 0.000 1.238 457 I HN 1.970 nan 8.210 nan 0.000 0.424 458 G N 4.124 112.925 108.800 0.001 0.000 2.598 458 G HA2 0.202 4.163 3.960 0.001 0.000 0.244 458 G HA3 0.202 4.163 3.960 0.001 0.000 0.244 458 G C -0.156 174.755 174.900 0.018 0.000 1.302 458 G CA -0.174 44.963 45.100 0.061 0.000 0.903 458 G HN 1.344 nan 8.290 nan 0.000 0.575 459 G N -2.366 106.490 108.800 0.093 0.000 2.489 459 G HA2 0.915 4.876 3.960 0.001 0.000 0.305 459 G HA3 0.915 4.876 3.960 0.001 0.000 0.305 459 G C -0.637 174.394 174.900 0.218 0.000 1.311 459 G CA 1.000 46.050 45.100 -0.083 0.000 0.813 459 G HN 2.483 nan 8.290 nan 0.000 0.480 460 A N -0.780 122.168 122.820 0.213 0.000 2.527 460 A HA 0.934 5.255 4.320 0.001 0.000 0.293 460 A C -1.041 176.867 177.584 0.540 0.000 1.117 460 A CA 0.232 52.510 52.037 0.401 0.000 0.723 460 A CB 1.279 20.460 19.000 0.302 0.000 1.313 460 A HN 1.662 nan 8.150 nan 0.000 0.411 461 D N -1.230 119.509 120.400 0.565 0.000 10.694 461 D HA 0.313 4.954 4.640 0.001 0.000 0.343 461 D C 0.534 177.125 176.300 0.486 0.000 3.140 461 D CA 2.177 56.520 54.000 0.572 0.000 2.670 461 D CB -1.051 40.072 40.800 0.538 0.000 1.232 461 D HN 2.316 nan 8.370 nan 0.000 0.946 462 G N 0.406 109.479 108.800 0.455 0.000 2.682 462 G HA2 -0.380 3.581 3.960 0.001 0.000 0.256 462 G HA3 -0.380 3.581 3.960 0.001 0.000 0.256 462 G C 0.880 175.878 174.900 0.162 0.000 1.333 462 G CA 1.137 46.510 45.100 0.456 0.000 0.904 462 G HN 0.878 nan 8.290 nan 0.000 0.569 463 K N -0.946 119.403 120.400 -0.087 0.000 2.026 463 K HA -0.163 4.158 4.320 0.001 0.000 0.208 463 K C 2.227 178.197 176.600 -1.049 0.000 1.048 463 K CA 1.992 57.736 56.287 -0.905 0.000 0.929 463 K CB -0.294 31.684 32.500 -0.870 0.000 0.713 463 K HN 0.656 nan 8.250 nan 0.000 0.439 464 H N -0.870 117.802 119.070 -0.664 0.000 2.387 464 H HA -0.057 4.500 4.556 0.001 0.000 0.299 464 H C 2.123 177.194 175.328 -0.428 0.000 1.090 464 H CA 1.434 56.991 56.048 -0.817 0.000 1.332 464 H CB -0.303 28.467 29.762 -1.654 0.000 1.386 464 H HN 0.465 nan 8.280 nan 0.000 0.516 465 G N 1.121 109.932 108.800 0.017 0.000 2.402 465 G HA2 -0.200 3.761 3.960 0.001 0.000 0.216 465 G HA3 -0.200 3.761 3.960 0.001 0.000 0.216 465 G C 1.892 176.911 174.900 0.198 0.000 1.162 465 G CA 0.609 45.912 45.100 0.339 0.000 0.777 465 G HN 0.315 nan 8.290 nan 0.000 0.539 466 L N -0.085 121.109 121.223 -0.048 0.000 2.046 466 L HA -0.029 4.312 4.340 0.001 0.000 0.208 466 L C 2.557 179.441 176.870 0.023 0.000 1.077 466 L CA 1.905 56.681 54.840 -0.107 0.000 0.747 466 L CB -0.552 41.168 42.059 -0.565 0.000 0.896 466 L HN 0.416 nan 8.230 nan 0.000 0.432 467 H N -1.186 117.769 119.070 -0.191 0.000 2.521 467 H HA -0.077 4.480 4.556 0.001 0.000 0.286 467 H C 1.612 176.898 175.328 -0.069 0.000 1.034 467 H CA 0.493 56.448 56.048 -0.155 0.000 1.278 467 H CB 0.312 29.963 29.762 -0.186 0.000 1.386 467 H HN 0.410 nan 8.280 nan 0.000 0.567 468 E N 0.651 120.909 120.200 0.096 0.000 2.265 468 E HA -0.155 4.196 4.350 0.001 0.000 0.196 468 E C 0.618 177.072 176.600 -0.244 0.000 0.996 468 E CA 0.961 57.326 56.400 -0.059 0.000 0.832 468 E CB -0.045 29.599 29.700 -0.093 0.000 0.756 468 E HN 0.665 nan 8.360 nan 0.000 0.491 469 Y N -0.271 120.033 120.300 0.006 0.000 2.493 469 Y HA 0.243 4.794 4.550 0.001 0.000 0.275 469 Y C 0.678 176.546 175.900 -0.053 0.000 1.183 469 Y CA -0.015 58.076 58.100 -0.014 0.000 1.258 469 Y CB 0.393 38.846 38.460 -0.011 0.000 1.108 469 Y HN -0.157 nan 8.280 nan 0.000 0.521 470 L N 0.772 121.999 121.223 0.005 0.000 2.354 470 L HA 0.499 4.839 4.340 0.001 0.000 0.264 470 L C -0.725 176.117 176.870 -0.047 0.000 1.008 470 L CA -0.984 53.829 54.840 -0.046 0.000 0.819 470 L CB 2.353 44.328 42.059 -0.141 0.000 1.339 470 L HN 0.015 nan 8.230 nan 0.000 0.420 471 Q N -0.096 119.689 119.800 -0.026 0.000 2.456 471 Q HA 0.626 4.967 4.340 0.001 0.000 0.283 471 Q C -1.126 174.872 176.000 -0.004 0.000 1.084 471 Q CA -0.914 54.877 55.803 -0.020 0.000 0.801 471 Q CB 2.261 30.995 28.738 -0.007 0.000 1.434 471 Q HN 0.602 nan 8.270 nan 0.000 0.419 472 T N -1.262 113.291 114.554 -0.002 0.000 2.928 472 T HA 0.374 4.724 4.350 0.001 0.000 0.284 472 T C -0.381 174.347 174.700 0.048 0.000 1.008 472 T CA -0.678 61.434 62.100 0.021 0.000 1.057 472 T CB 1.542 70.409 68.868 -0.001 0.000 1.018 472 T HN 0.671 nan 8.240 nan 0.000 0.493 473 Q N 2.116 121.971 119.800 0.091 0.000 2.337 473 Q HA 0.506 4.847 4.340 0.001 0.000 0.264 473 Q C -1.812 174.276 176.000 0.147 0.000 1.007 473 Q CA -0.780 55.086 55.803 0.104 0.000 0.727 473 Q CB 1.553 30.342 28.738 0.085 0.000 1.256 473 Q HN 0.666 nan 8.270 nan 0.000 0.467 474 V N 4.590 124.558 119.914 0.090 0.000 2.364 474 V HA 0.293 4.414 4.120 0.001 0.000 0.272 474 V C -0.133 175.982 176.094 0.035 0.000 1.036 474 V CA -0.510 61.797 62.300 0.011 0.000 0.880 474 V CB 1.355 33.152 31.823 -0.043 0.000 0.991 474 V HN 0.579 nan 8.190 nan 0.000 0.460 475 V N 6.172 126.102 119.914 0.026 0.000 2.370 475 V HA 0.358 4.479 4.120 0.001 0.000 0.279 475 V C -0.739 175.324 176.094 -0.051 0.000 1.029 475 V CA -0.640 61.713 62.300 0.088 0.000 0.870 475 V CB 1.109 33.064 31.823 0.220 0.000 0.984 475 V HN 0.736 nan 8.190 nan 0.000 0.451 476 Y N 5.187 125.519 120.300 0.053 0.000 2.595 476 Y HA 0.451 5.002 4.550 0.001 0.000 0.336 476 Y C -0.024 175.896 175.900 0.033 0.000 0.996 476 Y CA -0.693 57.426 58.100 0.033 0.000 1.260 476 Y CB 1.139 39.612 38.460 0.021 0.000 1.108 476 Y HN 0.486 nan 8.280 nan 0.000 0.509 477 L N 4.455 125.750 121.223 0.121 0.000 2.270 477 L HA 0.382 4.722 4.340 0.001 0.000 0.286 477 L C -0.396 176.519 176.870 0.075 0.000 1.059 477 L CA -0.756 54.138 54.840 0.090 0.000 0.839 477 L CB 0.722 42.821 42.059 0.067 0.000 1.221 477 L HN 0.521 nan 8.230 nan 0.000 0.431 478 Q N 3.975 123.819 119.800 0.073 0.000 2.314 478 Q HA 0.533 4.874 4.340 0.001 0.000 0.257 478 Q C 0.310 176.332 176.000 0.037 0.000 0.975 478 Q CA 0.983 56.818 55.803 0.054 0.000 0.933 478 Q CB 0.667 29.435 28.738 0.049 0.000 1.195 478 Q HN 0.892 nan 8.270 nan 0.000 0.426 479 S N 0.000 115.718 115.700 0.030 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 0.021 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