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 2ilu_1_A DATA FIRST_RESID 3 DATA SEQUENCE VPVQHPMYID GQFVTWRGDA WIDVVNPATE AVISRIPDGQ AEDARKAIDA DATA SEQUENCE AERAQPEWEA LPAIERASWL RKISAGIRER ASEISALIVE EGGKIQQLAE DATA SEQUENCE VEVAFTADYI DYMAEWARRY EGEIIQSDRP GENILLFKRA LGVTTGILPW DATA SEQUENCE NFPFFLIARK MAPALLTGNT IVIKPSEFTP NNAIAFAKIV DEIGLPRGVF DATA SEQUENCE NLVLGRGETV GQELAGNPKV AMVSMTGSVS AGEKIMATAA KNITKVXLEL DATA SEQUENCE GGKAPAIVMD DADLELAVKA IVDSRVINSG QVCNCAERVY VQKGIYDQFV DATA SEQUENCE NRLGEAMQAV QFGNPAERND IAMGPLINAA ALERVEQKVA RAVEEGARVA DATA SEQUENCE FGGKAVEGKG YYYPPTLLLD VRQEMSIMHE ETFGPVLPVV AFDTLEDAIS DATA SEQUENCE MANDSDYGLT SSIYTQNLNV AMKAIKGLKF GETYINRENF EAMQGFHAGW DATA SEQUENCE RKSGIGGADG KHGLHEYLQT QVVYLQS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.060 176.094 -0.057 0.000 1.182 3 V CA 0.000 62.272 62.300 -0.047 0.000 1.235 3 V CB 0.000 31.788 31.823 -0.058 0.000 1.184 4 P HA 0.107 nan 4.420 nan 0.000 0.259 4 P C -0.019 177.212 177.300 -0.116 0.000 1.211 4 P CA 0.414 63.477 63.100 -0.062 0.000 0.810 4 P CB 1.016 32.689 31.700 -0.045 0.000 0.815 5 V N 4.040 123.873 119.914 -0.134 0.000 2.901 5 V HA -0.073 4.048 4.120 0.001 0.000 0.307 5 V C 0.221 176.119 176.094 -0.327 0.000 1.084 5 V CA 0.398 62.565 62.300 -0.222 0.000 1.184 5 V CB 0.120 31.799 31.823 -0.240 0.000 0.941 5 V HN 0.555 nan 8.190 nan 0.000 0.493 6 Q N 5.495 125.117 119.800 -0.297 0.000 2.372 6 Q HA 0.410 4.751 4.340 0.001 0.000 0.259 6 Q C -0.927 175.050 176.000 -0.038 0.000 0.993 6 Q CA -0.543 55.138 55.803 -0.204 0.000 0.854 6 Q CB 1.004 29.500 28.738 -0.404 0.000 1.231 6 Q HN 0.820 nan 8.270 nan 0.000 0.462 7 H N 3.500 122.734 119.070 0.274 0.000 2.652 7 H HA 0.243 4.800 4.556 0.001 0.000 0.349 7 H C -2.089 173.426 175.328 0.312 0.000 1.099 7 H CA -1.582 54.610 56.048 0.240 0.000 1.417 7 H CB 0.582 30.458 29.762 0.190 0.000 1.457 7 H HN 0.463 nan 8.280 nan 0.000 0.568 8 P HA 0.281 nan 4.420 nan 0.000 0.285 8 P C -0.242 177.304 177.300 0.410 0.000 1.280 8 P CA -0.721 62.619 63.100 0.400 0.000 0.862 8 P CB 1.791 33.728 31.700 0.396 0.000 1.153 9 M N 0.472 120.252 119.600 0.300 0.000 2.283 9 M HA 0.249 4.730 4.480 0.001 0.000 0.314 9 M C -0.324 176.109 176.300 0.223 0.000 1.153 9 M CA -0.421 55.008 55.300 0.215 0.000 1.084 9 M CB 0.555 33.199 32.600 0.074 0.000 1.468 9 M HN 0.324 nan 8.290 nan 0.000 0.474 10 Y N 2.523 122.797 120.300 -0.043 0.000 2.478 10 Y HA 0.577 5.128 4.550 0.001 0.000 0.329 10 Y C -1.218 174.554 175.900 -0.214 0.000 0.967 10 Y CA -0.488 57.447 58.100 -0.276 0.000 1.255 10 Y CB 0.361 38.566 38.460 -0.424 0.000 1.103 10 Y HN 0.440 nan 8.280 nan 0.000 0.497 11 I N 4.428 124.683 120.570 -0.525 0.000 2.608 11 I HA 0.206 4.377 4.170 0.001 0.000 0.295 11 I C -0.382 175.460 176.117 -0.457 0.000 1.049 11 I CA -1.205 59.860 61.300 -0.391 0.000 1.063 11 I CB 1.847 39.726 38.000 -0.202 0.000 1.248 11 I HN 0.459 nan 8.210 nan 0.000 0.424 12 D N 4.943 125.141 120.400 -0.338 0.000 2.802 12 D HA -0.184 4.457 4.640 0.001 0.000 0.229 12 D C 1.044 177.150 176.300 -0.323 0.000 1.203 12 D CA 1.595 55.436 54.000 -0.266 0.000 0.712 12 D CB -0.676 40.019 40.800 -0.175 0.000 0.973 12 D HN 1.080 nan 8.370 nan 0.000 0.407 13 G N 1.090 109.635 108.800 -0.426 0.000 2.258 13 G HA2 -0.261 3.700 3.960 0.001 0.000 0.274 13 G HA3 -0.261 3.700 3.960 0.001 0.000 0.274 13 G C 0.034 174.704 174.900 -0.384 0.000 1.021 13 G CA 1.050 45.957 45.100 -0.321 0.000 0.798 13 G HN 1.046 nan 8.290 nan 0.000 0.507 14 Q N -1.686 117.631 119.800 -0.805 0.000 2.443 14 Q HA 0.568 4.909 4.340 0.001 0.000 0.258 14 Q C -0.762 174.984 176.000 -0.423 0.000 0.967 14 Q CA -1.275 54.292 55.803 -0.394 0.000 0.951 14 Q CB 0.561 29.223 28.738 -0.127 0.000 1.459 14 Q HN 0.119 nan 8.270 nan 0.000 0.415 15 F N 1.311 121.305 119.950 0.075 0.000 2.572 15 F HA 0.326 4.854 4.527 0.001 0.000 0.370 15 F C 0.127 175.975 175.800 0.080 0.000 1.103 15 F CA 0.204 58.303 58.000 0.165 0.000 1.286 15 F CB 1.055 40.211 39.000 0.260 0.000 1.105 15 F HN 0.342 nan 8.300 nan 0.000 0.583 16 V N 2.723 122.785 119.914 0.246 0.000 2.483 16 V HA 0.210 4.331 4.120 0.001 0.000 0.297 16 V C -0.201 176.035 176.094 0.237 0.000 1.027 16 V CA -1.013 61.394 62.300 0.178 0.000 0.855 16 V CB 1.744 33.620 31.823 0.088 0.000 0.995 16 V HN 0.731 nan 8.190 nan 0.000 0.424 17 T N 5.538 120.223 114.554 0.218 0.000 2.784 17 T HA 0.002 4.352 4.350 0.001 0.000 0.291 17 T C 0.010 174.872 174.700 0.271 0.000 0.942 17 T CA 0.117 62.370 62.100 0.254 0.000 1.161 17 T CB 0.087 69.072 68.868 0.195 0.000 0.885 17 T HN 0.701 nan 8.240 nan 0.000 0.534 18 W N 5.365 126.734 121.300 0.116 0.000 2.469 18 W HA 0.022 4.683 4.660 0.001 0.000 0.321 18 W C 0.137 176.692 176.519 0.059 0.000 1.415 18 W CA -0.947 56.397 57.345 -0.001 0.000 1.308 18 W CB 0.392 29.719 29.460 -0.223 0.000 1.368 18 W HN 0.609 nan 8.180 nan 0.000 0.546 19 R N 4.006 124.165 120.500 -0.569 0.000 2.246 19 R HA 0.063 4.404 4.340 0.001 0.000 0.199 19 R C 1.379 177.177 176.300 -0.836 0.000 0.984 19 R CA 0.428 56.217 56.100 -0.519 0.000 1.015 19 R CB -0.884 29.220 30.300 -0.326 0.000 0.930 19 R HN 0.558 nan 8.270 nan 0.000 0.475 20 G N 1.337 108.989 108.800 -1.913 0.000 2.760 20 G HA2 -0.109 3.852 3.960 0.001 0.000 0.236 20 G HA3 -0.109 3.852 3.960 0.001 0.000 0.236 20 G C 0.012 174.689 174.900 -0.372 0.000 1.243 20 G CA -0.181 44.168 45.100 -1.252 0.000 0.850 20 G HN 0.071 nan 8.290 nan 0.000 0.595 21 D N 0.052 120.416 120.400 -0.059 0.000 2.271 21 D HA 0.185 4.826 4.640 0.001 0.000 0.206 21 D C 1.560 178.029 176.300 0.282 0.000 0.967 21 D CA 0.957 55.032 54.000 0.126 0.000 0.867 21 D CB 0.090 40.935 40.800 0.075 0.000 0.960 21 D HN 0.536 nan 8.370 nan 0.000 0.509 22 A N 0.030 122.991 122.820 0.235 0.000 2.304 22 A HA 0.552 4.872 4.320 0.001 0.000 0.301 22 A C -1.123 176.519 177.584 0.095 0.000 1.132 22 A CA -0.396 51.779 52.037 0.230 0.000 0.819 22 A CB 0.683 19.767 19.000 0.141 0.000 1.094 22 A HN 0.075 nan 8.150 nan 0.000 0.492 23 W N 0.578 121.961 121.300 0.138 0.000 3.032 23 W HA 0.587 5.247 4.660 0.001 0.000 0.335 23 W C -0.647 175.891 176.519 0.031 0.000 1.154 23 W CA -0.325 57.074 57.345 0.089 0.000 1.204 23 W CB 1.519 31.041 29.460 0.104 0.000 1.416 23 W HN 0.442 nan 8.180 nan 0.000 0.521 24 I N 3.074 123.763 120.570 0.200 0.000 2.321 24 I HA 0.134 4.304 4.170 0.001 0.000 0.291 24 I C -0.147 176.063 176.117 0.155 0.000 0.998 24 I CA -0.659 60.708 61.300 0.112 0.000 1.227 24 I CB 0.742 38.737 38.000 -0.008 0.000 1.368 24 I HN 0.209 nan 8.210 nan 0.000 0.466 25 D N 6.336 126.815 120.400 0.132 0.000 2.312 25 D HA 0.170 4.811 4.640 0.001 0.000 0.252 25 D C -0.336 176.033 176.300 0.116 0.000 1.150 25 D CA 0.001 54.074 54.000 0.122 0.000 0.870 25 D CB 2.112 42.972 40.800 0.100 0.000 1.153 25 D HN 0.084 nan 8.370 nan 0.000 0.457 26 V N 3.518 123.506 119.914 0.123 0.000 2.432 26 V HA 0.237 4.358 4.120 0.001 0.000 0.275 26 V C 0.656 176.818 176.094 0.113 0.000 1.043 26 V CA -0.561 61.817 62.300 0.130 0.000 0.925 26 V CB 1.528 33.439 31.823 0.146 0.000 0.985 26 V HN 0.222 nan 8.190 nan 0.000 0.466 27 V N 3.494 123.478 119.914 0.116 0.000 3.019 27 V HA 0.461 4.582 4.120 0.001 0.000 0.317 27 V C 0.085 176.225 176.094 0.078 0.000 1.094 27 V CA -1.001 61.355 62.300 0.093 0.000 1.000 27 V CB 2.237 34.121 31.823 0.102 0.000 1.060 27 V HN 0.862 nan 8.190 nan 0.000 0.443 28 N N 3.908 122.646 118.700 0.063 0.000 2.437 28 N HA 0.223 4.964 4.740 0.001 0.000 0.243 28 N C -1.437 174.099 175.510 0.042 0.000 1.041 28 N CA -1.895 51.181 53.050 0.044 0.000 0.940 28 N CB 1.799 40.306 38.487 0.033 0.000 1.133 28 N HN 0.353 nan 8.380 nan 0.000 0.506 29 P HA -0.190 nan 4.420 nan 0.000 0.218 29 P C 0.762 178.016 177.300 -0.077 0.000 1.146 29 P CA 1.131 64.267 63.100 0.061 0.000 0.820 29 P CB 0.420 32.078 31.700 -0.070 0.000 0.778 30 A N 0.538 123.327 122.820 -0.051 0.000 1.844 30 A HA -0.074 4.247 4.320 0.001 0.000 0.212 30 A C 2.402 180.006 177.584 0.034 0.000 1.221 30 A CA 2.447 54.494 52.037 0.018 0.000 0.607 30 A CB -1.684 17.370 19.000 0.090 0.000 0.878 30 A HN 0.346 nan 8.150 nan 0.000 0.451 31 T N -3.827 110.737 114.554 0.016 0.000 2.942 31 T HA 0.045 4.396 4.350 0.001 0.000 0.265 31 T C 0.828 175.509 174.700 -0.032 0.000 1.062 31 T CA 1.404 63.505 62.100 0.002 0.000 1.139 31 T CB -0.117 68.757 68.868 0.010 0.000 0.883 31 T HN 0.638 nan 8.240 nan 0.000 0.468 32 E N -0.299 119.881 120.200 -0.033 0.000 3.763 32 E HA -0.167 4.184 4.350 0.001 0.000 0.319 32 E C 0.145 176.756 176.600 0.017 0.000 0.804 32 E CA 0.122 56.507 56.400 -0.025 0.000 1.196 32 E CB -1.588 28.041 29.700 -0.119 0.000 1.607 32 E HN 0.854 nan 8.360 nan 0.000 0.431 33 A N -0.103 122.728 122.820 0.019 0.000 2.269 33 A HA 0.628 4.948 4.320 0.001 0.000 0.319 33 A C 0.211 177.818 177.584 0.037 0.000 1.110 33 A CA -0.165 51.887 52.037 0.024 0.000 0.847 33 A CB 1.307 20.316 19.000 0.014 0.000 1.161 33 A HN 0.154 nan 8.150 nan 0.000 0.497 34 V N 2.533 122.468 119.914 0.034 0.000 2.397 34 V HA 0.048 4.168 4.120 0.001 0.000 0.262 34 V C 1.292 177.408 176.094 0.036 0.000 1.047 34 V CA 0.682 63.006 62.300 0.041 0.000 1.003 34 V CB -0.222 31.620 31.823 0.032 0.000 1.037 34 V HN 0.752 nan 8.190 nan 0.000 0.480 35 I N 2.521 123.122 120.570 0.052 0.000 3.427 35 I HA 0.290 4.461 4.170 0.001 0.000 0.288 35 I C 0.810 176.963 176.117 0.061 0.000 1.249 35 I CA 0.452 61.784 61.300 0.053 0.000 1.421 35 I CB 0.270 38.310 38.000 0.066 0.000 1.086 35 I HN 0.682 nan 8.210 nan 0.000 0.448 36 S N 0.274 116.017 115.700 0.071 0.000 2.656 36 S HA 0.521 4.992 4.470 0.001 0.000 0.265 36 S C -0.991 173.665 174.600 0.092 0.000 1.110 36 S CA -1.099 57.138 58.200 0.061 0.000 0.821 36 S CB 1.652 64.957 63.200 0.175 0.000 1.099 36 S HN 0.338 nan 8.310 nan 0.000 0.471 37 R N 0.417 120.964 120.500 0.078 0.000 2.628 37 R HA 0.738 5.078 4.340 0.001 0.000 0.288 37 R C -0.942 175.593 176.300 0.392 0.000 0.980 37 R CA -0.736 55.484 56.100 0.201 0.000 0.891 37 R CB 1.820 32.184 30.300 0.107 0.000 1.188 37 R HN 0.809 nan 8.270 nan 0.000 0.450 38 I N -0.525 120.285 120.570 0.401 0.000 2.646 38 I HA 0.636 4.807 4.170 0.001 0.000 0.299 38 I C -2.503 173.622 176.117 0.013 0.000 1.036 38 I CA -2.970 58.508 61.300 0.297 0.000 1.074 38 I CB 2.341 40.425 38.000 0.139 0.000 1.258 38 I HN 0.360 nan 8.210 nan 0.000 0.430 39 P HA -0.045 nan 4.420 nan 0.000 0.267 39 P C -0.747 175.970 177.300 -0.972 0.000 1.200 39 P CA 0.264 62.560 63.100 -1.339 0.000 0.772 39 P CB 0.639 31.297 31.700 -1.736 0.000 0.855 40 D N 1.683 121.502 120.400 -0.969 0.000 3.057 40 D HA 0.229 4.870 4.640 0.001 0.000 0.246 40 D C 0.988 176.892 176.300 -0.660 0.000 1.238 40 D CA -0.311 53.364 54.000 -0.541 0.000 0.949 40 D CB -0.863 39.795 40.800 -0.237 0.000 1.086 40 D HN 0.396 nan 8.370 nan 0.000 0.487 41 G N 1.471 109.736 108.800 -0.892 0.000 2.614 41 G HA2 0.035 3.996 3.960 0.001 0.000 0.229 41 G HA3 0.035 3.996 3.960 0.001 0.000 0.229 41 G C 0.016 174.717 174.900 -0.332 0.000 1.232 41 G CA -0.164 44.484 45.100 -0.754 0.000 0.857 41 G HN 0.314 nan 8.290 nan 0.000 0.560 42 Q N -0.224 119.478 119.800 -0.165 0.000 2.496 42 Q HA 0.548 4.889 4.340 0.001 0.000 0.286 42 Q C 1.410 177.391 176.000 -0.032 0.000 1.103 42 Q CA -0.292 55.484 55.803 -0.045 0.000 0.813 42 Q CB 1.522 30.293 28.738 0.054 0.000 1.444 42 Q HN 0.567 nan 8.270 nan 0.000 0.443 43 A N 1.200 124.006 122.820 -0.023 0.000 1.909 43 A HA -0.331 3.990 4.320 0.001 0.000 0.221 43 A C 1.674 179.250 177.584 -0.012 0.000 1.223 43 A CA 2.691 54.714 52.037 -0.023 0.000 0.658 43 A CB -0.861 18.130 19.000 -0.016 0.000 0.831 43 A HN 0.868 nan 8.150 nan 0.000 0.462 44 E N -0.517 119.689 120.200 0.009 0.000 2.147 44 E HA -0.291 4.060 4.350 0.001 0.000 0.199 44 E C 1.136 177.747 176.600 0.018 0.000 1.005 44 E CA 1.511 57.921 56.400 0.016 0.000 0.810 44 E CB -0.688 29.032 29.700 0.033 0.000 0.736 44 E HN 0.657 nan 8.360 nan 0.000 0.460 45 D N 1.535 121.953 120.400 0.030 0.000 2.097 45 D HA -0.114 4.527 4.640 0.001 0.000 0.195 45 D C 2.114 178.394 176.300 -0.033 0.000 0.989 45 D CA 1.662 55.672 54.000 0.018 0.000 0.827 45 D CB -0.291 40.507 40.800 -0.003 0.000 0.966 45 D HN 0.364 nan 8.370 nan 0.000 0.456 46 A N 1.451 124.240 122.820 -0.052 0.000 1.908 46 A HA -0.220 4.101 4.320 0.001 0.000 0.218 46 A C 2.212 179.761 177.584 -0.058 0.000 1.181 46 A CA 1.381 53.378 52.037 -0.067 0.000 0.627 46 A CB -0.520 18.441 19.000 -0.066 0.000 0.818 46 A HN 0.132 nan 8.150 nan 0.000 0.445 47 R N -0.471 120.004 120.500 -0.041 0.000 2.081 47 R HA -0.102 4.239 4.340 0.001 0.000 0.235 47 R C 2.261 178.536 176.300 -0.042 0.000 1.131 47 R CA 1.611 57.688 56.100 -0.037 0.000 0.960 47 R CB -0.277 30.008 30.300 -0.025 0.000 0.856 47 R HN 0.504 nan 8.270 nan 0.000 0.436 48 K N 0.302 120.679 120.400 -0.038 0.000 2.044 48 K HA -0.166 4.154 4.320 0.001 0.000 0.210 48 K C 2.158 178.716 176.600 -0.071 0.000 1.049 48 K CA 1.624 57.884 56.287 -0.045 0.000 0.927 48 K CB -0.182 32.298 32.500 -0.033 0.000 0.713 48 K HN 0.176 nan 8.250 nan 0.000 0.443 49 A N 1.223 123.992 122.820 -0.084 0.000 1.877 49 A HA -0.149 4.172 4.320 0.001 0.000 0.216 49 A C 2.099 179.619 177.584 -0.107 0.000 1.186 49 A CA 1.324 53.292 52.037 -0.116 0.000 0.620 49 A CB -0.566 18.355 19.000 -0.133 0.000 0.822 49 A HN 0.200 nan 8.150 nan 0.000 0.443 50 I N -0.044 120.475 120.570 -0.085 0.000 2.226 50 I HA -0.249 3.922 4.170 0.001 0.000 0.245 50 I C 1.798 177.880 176.117 -0.059 0.000 1.100 50 I CA 1.546 62.804 61.300 -0.070 0.000 1.374 50 I CB -0.506 37.462 38.000 -0.054 0.000 1.057 50 I HN 0.242 nan 8.210 nan 0.000 0.413 51 D N 1.046 121.414 120.400 -0.053 0.000 2.144 51 D HA -0.135 4.506 4.640 0.001 0.000 0.199 51 D C 2.229 178.498 176.300 -0.052 0.000 0.984 51 D CA 1.489 55.462 54.000 -0.044 0.000 0.834 51 D CB -0.151 40.626 40.800 -0.038 0.000 0.955 51 D HN 0.357 nan 8.370 nan 0.000 0.465 52 A N 0.998 123.776 122.820 -0.071 0.000 1.873 52 A HA 0.011 4.332 4.320 0.001 0.000 0.215 52 A C 2.323 179.855 177.584 -0.086 0.000 1.186 52 A CA 2.033 54.019 52.037 -0.084 0.000 0.616 52 A CB -0.776 18.154 19.000 -0.116 0.000 0.823 52 A HN 0.218 nan 8.150 nan 0.000 0.442 53 A N -0.323 122.439 122.820 -0.096 0.000 1.908 53 A HA -0.230 4.091 4.320 0.001 0.000 0.218 53 A C 2.056 179.609 177.584 -0.052 0.000 1.181 53 A CA 1.931 53.912 52.037 -0.093 0.000 0.627 53 A CB -0.550 18.392 19.000 -0.098 0.000 0.818 53 A HN 0.688 nan 8.150 nan 0.000 0.445 54 E N -0.392 119.785 120.200 -0.038 0.000 2.047 54 E HA -0.192 4.159 4.350 0.001 0.000 0.191 54 E C 2.302 178.897 176.600 -0.008 0.000 0.987 54 E CA 0.897 57.288 56.400 -0.016 0.000 0.799 54 E CB -0.132 29.558 29.700 -0.017 0.000 0.752 54 E HN 0.582 nan 8.360 nan 0.000 0.449 55 R N -0.144 120.345 120.500 -0.018 0.000 2.105 55 R HA -0.116 4.225 4.340 0.001 0.000 0.239 55 R C 2.239 178.541 176.300 0.002 0.000 1.135 55 R CA 1.192 57.287 56.100 -0.010 0.000 0.967 55 R CB -0.227 30.061 30.300 -0.020 0.000 0.861 55 R HN 0.153 nan 8.270 nan 0.000 0.442 56 A N 0.515 123.329 122.820 -0.011 0.000 2.123 56 A HA -0.082 4.238 4.320 0.001 0.000 0.214 56 A C 2.026 179.651 177.584 0.070 0.000 1.152 56 A CA 0.349 52.390 52.037 0.007 0.000 0.728 56 A CB -0.120 18.846 19.000 -0.056 0.000 0.814 56 A HN 0.164 nan 8.150 nan 0.000 0.464 57 Q N 0.477 120.316 119.800 0.064 0.000 2.061 57 Q HA -0.141 4.200 4.340 0.001 0.000 0.204 57 Q C -0.697 175.399 176.000 0.159 0.000 0.984 57 Q CA 2.266 58.146 55.803 0.129 0.000 0.846 57 Q CB -1.226 27.564 28.738 0.086 0.000 0.902 57 Q HN 0.425 nan 8.270 nan 0.000 0.421 58 P HA -0.145 nan 4.420 nan 0.000 0.213 58 P C 0.929 178.291 177.300 0.103 0.000 1.170 58 P CA 1.643 64.795 63.100 0.086 0.000 0.902 58 P CB -0.176 31.557 31.700 0.056 0.000 0.789 59 E N -1.467 118.802 120.200 0.115 0.000 2.077 59 E HA -0.211 4.140 4.350 0.001 0.000 0.193 59 E C 1.982 178.690 176.600 0.179 0.000 0.989 59 E CA 0.824 57.298 56.400 0.123 0.000 0.800 59 E CB -0.663 29.108 29.700 0.118 0.000 0.746 59 E HN 0.400 nan 8.360 nan 0.000 0.452 60 W N 2.192 123.506 121.300 0.022 0.000 2.335 60 W HA -0.254 4.407 4.660 0.001 0.000 0.311 60 W C 2.013 178.567 176.519 0.058 0.000 1.213 60 W CA 1.773 59.137 57.345 0.031 0.000 1.274 60 W CB -0.008 29.458 29.460 0.010 0.000 1.148 60 W HN 0.099 nan 8.180 nan 0.000 0.498 61 E N 0.548 120.807 120.200 0.098 0.000 2.106 61 E HA -0.167 4.183 4.350 0.001 0.000 0.192 61 E C 2.215 178.793 176.600 -0.037 0.000 0.984 61 E CA 1.512 57.909 56.400 -0.006 0.000 0.806 61 E CB -0.443 29.308 29.700 0.084 0.000 0.750 61 E HN 0.142 nan 8.360 nan 0.000 0.458 62 A N 0.955 123.776 122.820 0.001 0.000 2.125 62 A HA -0.021 4.300 4.320 0.001 0.000 0.219 62 A C 1.060 178.624 177.584 -0.033 0.000 1.156 62 A CA 0.395 52.430 52.037 -0.003 0.000 0.671 62 A CB -0.473 18.539 19.000 0.021 0.000 0.794 62 A HN 0.250 nan 8.150 nan 0.000 0.459 63 L N 0.588 121.759 121.223 -0.086 0.000 2.416 63 L HA 0.173 4.514 4.340 0.001 0.000 0.272 63 L C -2.252 174.545 176.870 -0.121 0.000 1.161 63 L CA -1.844 52.930 54.840 -0.111 0.000 0.845 63 L CB 0.410 42.346 42.059 -0.205 0.000 1.119 63 L HN 0.041 nan 8.230 nan 0.000 0.464 64 P HA -0.034 nan 4.420 nan 0.000 0.265 64 P C 0.255 177.503 177.300 -0.086 0.000 1.193 64 P CA 0.094 63.155 63.100 -0.065 0.000 0.765 64 P CB 0.891 32.562 31.700 -0.048 0.000 0.823 65 A N 4.048 126.832 122.820 -0.060 0.000 1.940 65 A HA -0.268 4.052 4.320 0.001 0.000 0.221 65 A C 1.973 179.537 177.584 -0.033 0.000 1.190 65 A CA 1.974 53.995 52.037 -0.027 0.000 0.647 65 A CB -1.572 17.442 19.000 0.024 0.000 0.821 65 A HN 0.609 nan 8.150 nan 0.000 0.457 66 I N 0.216 120.760 120.570 -0.043 0.000 2.264 66 I HA -0.245 3.926 4.170 0.001 0.000 0.248 66 I C 2.135 178.220 176.117 -0.053 0.000 1.111 66 I CA 2.105 63.379 61.300 -0.043 0.000 1.382 66 I CB -0.457 37.512 38.000 -0.051 0.000 1.060 66 I HN 0.503 nan 8.210 nan 0.000 0.418 67 E N -0.083 120.078 120.200 -0.066 0.000 2.077 67 E HA -0.220 4.131 4.350 0.001 0.000 0.193 67 E C 2.341 178.931 176.600 -0.016 0.000 0.989 67 E CA 1.086 57.444 56.400 -0.069 0.000 0.800 67 E CB -0.196 29.478 29.700 -0.045 0.000 0.746 67 E HN 0.513 nan 8.360 nan 0.000 0.452 68 R N 0.521 120.972 120.500 -0.082 0.000 2.081 68 R HA -0.093 4.248 4.340 0.001 0.000 0.235 68 R C 2.420 178.817 176.300 0.162 0.000 1.131 68 R CA 1.079 57.139 56.100 -0.066 0.000 0.960 68 R CB -0.350 29.736 30.300 -0.356 0.000 0.856 68 R HN 0.103 nan 8.270 nan 0.000 0.436 69 A N 0.674 123.537 122.820 0.072 0.000 1.940 69 A HA -0.223 4.098 4.320 0.001 0.000 0.219 69 A C 2.218 179.840 177.584 0.063 0.000 1.176 69 A CA 1.944 54.027 52.037 0.077 0.000 0.631 69 A CB -0.663 18.351 19.000 0.024 0.000 0.814 69 A HN 0.343 nan 8.150 nan 0.000 0.446 70 S N -1.418 114.280 115.700 -0.005 0.000 2.359 70 S HA -0.244 4.226 4.470 0.001 0.000 0.224 70 S C 1.751 176.318 174.600 -0.055 0.000 1.035 70 S CA 1.708 59.851 58.200 -0.095 0.000 1.018 70 S CB -0.559 62.502 63.200 -0.232 0.000 0.876 70 S HN 0.706 nan 8.310 nan 0.000 0.448 71 W N 1.414 122.777 121.300 0.104 0.000 2.335 71 W HA -0.047 4.614 4.660 0.001 0.000 0.311 71 W C 2.268 178.854 176.519 0.113 0.000 1.213 71 W CA 0.806 58.244 57.345 0.155 0.000 1.274 71 W CB -0.524 29.142 29.460 0.344 0.000 1.148 71 W HN 0.294 nan 8.180 nan 0.000 0.498 72 L N -0.063 121.370 121.223 0.350 0.000 2.079 72 L HA -0.245 4.096 4.340 0.001 0.000 0.210 72 L C 2.561 179.502 176.870 0.119 0.000 1.081 72 L CA 1.396 56.364 54.840 0.213 0.000 0.752 72 L CB -0.791 41.380 42.059 0.185 0.000 0.896 72 L HN 0.015 nan 8.230 nan 0.000 0.433 73 R N 0.141 120.690 120.500 0.081 0.000 2.096 73 R HA -0.152 4.189 4.340 0.001 0.000 0.235 73 R C 2.278 178.595 176.300 0.027 0.000 1.127 73 R CA 1.133 57.253 56.100 0.034 0.000 0.968 73 R CB -0.220 30.079 30.300 -0.002 0.000 0.861 73 R HN 0.393 nan 8.270 nan 0.000 0.440 74 K N 0.544 120.969 120.400 0.041 0.000 2.097 74 K HA -0.095 4.226 4.320 0.001 0.000 0.206 74 K C 2.077 178.694 176.600 0.028 0.000 1.049 74 K CA 1.231 57.542 56.287 0.039 0.000 0.933 74 K CB -0.116 32.433 32.500 0.082 0.000 0.717 74 K HN 0.170 nan 8.250 nan 0.000 0.442 75 I N 1.169 121.754 120.570 0.025 0.000 2.202 75 I HA -0.288 3.882 4.170 0.001 0.000 0.242 75 I C 2.604 178.664 176.117 -0.095 0.000 1.091 75 I CA 1.415 62.658 61.300 -0.095 0.000 1.368 75 I CB -0.542 37.364 38.000 -0.156 0.000 1.058 75 I HN 0.218 nan 8.210 nan 0.000 0.410 76 S N 1.553 117.243 115.700 -0.018 0.000 2.382 76 S HA -0.152 4.319 4.470 0.001 0.000 0.228 76 S C 2.260 176.873 174.600 0.021 0.000 1.027 76 S CA 0.910 59.122 58.200 0.020 0.000 0.991 76 S CB -0.622 62.608 63.200 0.049 0.000 0.823 76 S HN 0.405 nan 8.310 nan 0.000 0.469 77 A N 1.986 124.813 122.820 0.011 0.000 1.933 77 A HA 0.199 4.520 4.320 0.001 0.000 0.218 77 A C 2.408 179.996 177.584 0.006 0.000 1.175 77 A CA 1.609 53.652 52.037 0.011 0.000 0.628 77 A CB -1.771 17.233 19.000 0.005 0.000 0.814 77 A HN 0.665 nan 8.150 nan 0.000 0.444 78 G N 0.021 108.813 108.800 -0.013 0.000 2.418 78 G HA2 -0.184 3.776 3.960 0.001 0.000 0.217 78 G HA3 -0.184 3.776 3.960 0.001 0.000 0.217 78 G C 1.525 176.419 174.900 -0.010 0.000 1.158 78 G CA 1.094 46.181 45.100 -0.023 0.000 0.771 78 G HN 0.479 nan 8.290 nan 0.000 0.545 79 I N 0.204 120.774 120.570 -0.001 0.000 2.226 79 I HA -0.184 3.986 4.170 0.001 0.000 0.245 79 I C 3.066 179.228 176.117 0.076 0.000 1.100 79 I CA 1.030 62.377 61.300 0.078 0.000 1.374 79 I CB -0.208 37.907 38.000 0.192 0.000 1.057 79 I HN 0.107 nan 8.210 nan 0.000 0.413 80 R N 0.718 121.258 120.500 0.066 0.000 2.081 80 R HA -0.183 4.158 4.340 0.001 0.000 0.235 80 R C 2.100 178.421 176.300 0.035 0.000 1.131 80 R CA 1.453 57.587 56.100 0.057 0.000 0.960 80 R CB -0.399 29.932 30.300 0.051 0.000 0.856 80 R HN 0.449 nan 8.270 nan 0.000 0.436 81 E N 0.145 120.360 120.200 0.024 0.000 2.267 81 E HA -0.167 4.184 4.350 0.001 0.000 0.197 81 E C 1.016 177.623 176.600 0.012 0.000 0.998 81 E CA 0.951 57.360 56.400 0.016 0.000 0.830 81 E CB 0.082 29.790 29.700 0.012 0.000 0.751 81 E HN 0.176 nan 8.360 nan 0.000 0.491 82 R N -0.840 119.665 120.500 0.010 0.000 2.662 82 R HA 0.277 4.618 4.340 0.001 0.000 0.396 82 R C 1.182 177.471 176.300 -0.018 0.000 1.096 82 R CA 0.080 56.179 56.100 -0.003 0.000 1.081 82 R CB 0.730 31.026 30.300 -0.006 0.000 1.382 82 R HN 0.033 nan 8.270 nan 0.000 0.580 83 A N 0.862 123.681 122.820 -0.001 0.000 1.859 83 A HA -0.284 4.037 4.320 0.001 0.000 0.217 83 A C 2.110 179.674 177.584 -0.032 0.000 1.198 83 A CA 2.455 54.488 52.037 -0.008 0.000 0.629 83 A CB -0.725 18.291 19.000 0.026 0.000 0.830 83 A HN 0.453 nan 8.150 nan 0.000 0.446 84 S N -0.382 115.308 115.700 -0.016 0.000 2.370 84 S HA -0.266 4.204 4.470 0.001 0.000 0.226 84 S C 1.910 176.492 174.600 -0.030 0.000 1.033 84 S CA 1.641 59.831 58.200 -0.017 0.000 1.011 84 S CB -0.611 62.585 63.200 -0.006 0.000 0.852 84 S HN 0.684 nan 8.310 nan 0.000 0.457 85 E N 1.035 121.216 120.200 -0.031 0.000 2.058 85 E HA -0.136 4.214 4.350 0.001 0.000 0.194 85 E C 2.017 178.579 176.600 -0.062 0.000 0.997 85 E CA 1.581 57.962 56.400 -0.032 0.000 0.801 85 E CB -0.269 29.418 29.700 -0.022 0.000 0.746 85 E HN 0.688 nan 8.360 nan 0.000 0.450 86 I N 0.406 120.906 120.570 -0.116 0.000 2.252 86 I HA -0.222 3.949 4.170 0.001 0.000 0.245 86 I C 2.465 178.456 176.117 -0.209 0.000 1.102 86 I CA 0.686 61.848 61.300 -0.229 0.000 1.385 86 I CB -0.136 37.599 38.000 -0.442 0.000 1.064 86 I HN 0.064 nan 8.210 nan 0.000 0.414 87 S N 1.073 116.689 115.700 -0.140 0.000 2.359 87 S HA -0.209 4.262 4.470 0.001 0.000 0.224 87 S C 2.306 176.879 174.600 -0.045 0.000 1.035 87 S CA 1.438 59.591 58.200 -0.078 0.000 1.018 87 S CB -0.489 62.690 63.200 -0.035 0.000 0.876 87 S HN 0.546 nan 8.310 nan 0.000 0.448 88 A N 1.340 124.139 122.820 -0.034 0.000 1.978 88 A HA -0.051 4.269 4.320 0.001 0.000 0.220 88 A C 2.125 179.705 177.584 -0.007 0.000 1.170 88 A CA 1.223 53.252 52.037 -0.013 0.000 0.636 88 A CB -0.748 18.247 19.000 -0.008 0.000 0.810 88 A HN 0.462 nan 8.150 nan 0.000 0.448 89 L N -0.732 120.479 121.223 -0.019 0.000 2.056 89 L HA -0.151 4.190 4.340 0.001 0.000 0.207 89 L C 2.466 179.343 176.870 0.013 0.000 1.078 89 L CA 1.157 55.998 54.840 0.001 0.000 0.749 89 L CB -0.502 41.551 42.059 -0.010 0.000 0.901 89 L HN 0.375 nan 8.230 nan 0.000 0.433 90 I N -0.915 119.651 120.570 -0.008 0.000 2.179 90 I HA -0.267 3.904 4.170 0.001 0.000 0.242 90 I C 2.504 178.635 176.117 0.023 0.000 1.088 90 I CA 1.093 62.406 61.300 0.022 0.000 1.357 90 I CB -0.376 37.634 38.000 0.016 0.000 1.051 90 I HN 0.006 nan 8.210 nan 0.000 0.409 91 V N 0.950 120.869 119.914 0.009 0.000 2.255 91 V HA -0.347 3.774 4.120 0.001 0.000 0.247 91 V C 2.526 178.630 176.094 0.016 0.000 1.051 91 V CA 2.374 64.680 62.300 0.011 0.000 1.018 91 V CB -0.737 31.092 31.823 0.009 0.000 0.641 91 V HN 0.523 nan 8.190 nan 0.000 0.445 92 E N 0.567 120.780 120.200 0.021 0.000 2.021 92 E HA -0.316 4.035 4.350 0.001 0.000 0.200 92 E C 2.246 178.866 176.600 0.033 0.000 1.015 92 E CA 2.180 58.597 56.400 0.028 0.000 0.824 92 E CB -0.226 29.494 29.700 0.033 0.000 0.762 92 E HN 0.865 nan 8.360 nan 0.000 0.454 93 E N -1.077 119.151 120.200 0.047 0.000 2.230 93 E HA -0.028 4.322 4.350 0.001 0.000 0.192 93 E C 1.958 178.586 176.600 0.046 0.000 0.987 93 E CA 0.920 57.356 56.400 0.060 0.000 0.841 93 E CB 0.009 29.763 29.700 0.091 0.000 0.783 93 E HN 0.295 nan 8.360 nan 0.000 0.481 94 G N 0.651 109.479 108.800 0.046 0.000 2.744 94 G HA2 0.180 4.140 3.960 0.001 0.000 0.211 94 G HA3 0.180 4.140 3.960 0.001 0.000 0.211 94 G C 1.179 176.065 174.900 -0.023 0.000 1.146 94 G CA 0.056 45.181 45.100 0.042 0.000 0.787 94 G HN 0.530 nan 8.290 nan 0.000 0.534 95 G N 0.426 109.212 108.800 -0.023 0.000 2.221 95 G HA2 -0.274 3.686 3.960 0.001 0.000 0.265 95 G HA3 -0.274 3.686 3.960 0.001 0.000 0.265 95 G C 0.273 175.154 174.900 -0.032 0.000 1.041 95 G CA 0.732 45.806 45.100 -0.043 0.000 0.807 95 G HN 0.961 nan 8.290 nan 0.000 0.502 96 K N 0.065 120.454 120.400 -0.018 0.000 2.110 96 K HA 0.733 5.054 4.320 0.001 0.000 0.263 96 K C 1.156 177.754 176.600 -0.003 0.000 0.975 96 K CA -1.024 55.250 56.287 -0.022 0.000 0.895 96 K CB 1.610 34.074 32.500 -0.059 0.000 1.060 96 K HN 0.704 nan 8.250 nan 0.000 0.448 97 I N 0.211 120.784 120.570 0.005 0.000 2.845 97 I HA -0.148 4.023 4.170 0.001 0.000 0.296 97 I C 0.864 176.985 176.117 0.006 0.000 1.216 97 I CA -0.166 61.143 61.300 0.014 0.000 1.438 97 I CB 0.445 38.456 38.000 0.018 0.000 1.342 97 I HN 0.796 nan 8.210 nan 0.000 0.577 98 Q N 3.418 123.224 119.800 0.010 0.000 2.082 98 Q HA -0.314 4.027 4.340 0.001 0.000 0.211 98 Q C 1.922 177.926 176.000 0.007 0.000 1.002 98 Q CA 2.609 58.417 55.803 0.008 0.000 0.868 98 Q CB -0.264 28.478 28.738 0.008 0.000 0.931 98 Q HN 0.792 nan 8.270 nan 0.000 0.414 99 Q N 0.493 120.295 119.800 0.004 0.000 2.112 99 Q HA -0.153 4.188 4.340 0.001 0.000 0.206 99 Q C 2.030 178.030 176.000 0.001 0.000 0.987 99 Q CA 1.374 57.178 55.803 0.001 0.000 0.858 99 Q CB -0.352 28.383 28.738 -0.006 0.000 0.905 99 Q HN 0.367 nan 8.270 nan 0.000 0.420 100 L N -0.433 120.787 121.223 -0.005 0.000 2.046 100 L HA -0.204 4.136 4.340 0.001 0.000 0.208 100 L C 2.256 179.141 176.870 0.025 0.000 1.077 100 L CA 1.124 55.962 54.840 -0.005 0.000 0.747 100 L CB -0.586 41.459 42.059 -0.024 0.000 0.896 100 L HN 0.291 nan 8.230 nan 0.000 0.432 101 A N -0.140 122.692 122.820 0.019 0.000 1.883 101 A HA -0.265 4.056 4.320 0.001 0.000 0.217 101 A C 2.102 179.720 177.584 0.055 0.000 1.186 101 A CA 1.947 54.006 52.037 0.036 0.000 0.624 101 A CB -0.563 18.444 19.000 0.012 0.000 0.822 101 A HN 0.471 nan 8.150 nan 0.000 0.444 102 E N -0.524 119.700 120.200 0.040 0.000 2.058 102 E HA -0.155 4.196 4.350 0.001 0.000 0.194 102 E C 1.953 178.606 176.600 0.089 0.000 0.997 102 E CA 1.434 57.865 56.400 0.051 0.000 0.801 102 E CB -0.342 29.379 29.700 0.035 0.000 0.746 102 E HN 0.367 nan 8.360 nan 0.000 0.450 103 V N 1.285 121.246 119.914 0.078 0.000 2.407 103 V HA -0.275 3.846 4.120 0.001 0.000 0.248 103 V C 2.342 178.542 176.094 0.176 0.000 1.055 103 V CA 2.025 64.383 62.300 0.097 0.000 1.049 103 V CB -0.430 31.401 31.823 0.015 0.000 0.662 103 V HN 0.305 nan 8.190 nan 0.000 0.455 104 E N -0.003 120.313 120.200 0.192 0.000 2.051 104 E HA -0.201 4.150 4.350 0.001 0.000 0.192 104 E C 2.222 179.073 176.600 0.417 0.000 0.991 104 E CA 1.775 58.364 56.400 0.316 0.000 0.799 104 E CB -0.048 29.866 29.700 0.356 0.000 0.748 104 E HN 0.408 nan 8.360 nan 0.000 0.449 105 V N 1.187 121.298 119.914 0.328 0.000 2.343 105 V HA -0.282 3.838 4.120 0.001 0.000 0.247 105 V C 2.415 178.712 176.094 0.339 0.000 1.051 105 V CA 1.869 64.383 62.300 0.357 0.000 1.036 105 V CB -0.748 31.140 31.823 0.108 0.000 0.654 105 V HN 0.452 nan 8.190 nan 0.000 0.451 106 A N -0.636 122.337 122.820 0.254 0.000 1.873 106 A HA -0.205 4.116 4.320 0.001 0.000 0.215 106 A C 2.110 179.851 177.584 0.263 0.000 1.186 106 A CA 1.840 54.009 52.037 0.220 0.000 0.616 106 A CB -0.712 18.391 19.000 0.173 0.000 0.823 106 A HN 0.498 nan 8.150 nan 0.000 0.442 107 F N 0.992 121.034 119.950 0.153 0.000 2.126 107 F HA -0.169 4.359 4.527 0.001 0.000 0.299 107 F C 2.694 178.617 175.800 0.206 0.000 1.096 107 F CA 2.313 60.392 58.000 0.131 0.000 1.255 107 F CB -0.607 38.418 39.000 0.042 0.000 0.997 107 F HN 0.263 nan 8.300 nan 0.000 0.479 108 T N -0.374 114.400 114.554 0.368 0.000 2.720 108 T HA -0.185 4.166 4.350 0.001 0.000 0.268 108 T C 2.108 176.965 174.700 0.262 0.000 1.037 108 T CA 1.596 63.922 62.100 0.376 0.000 1.144 108 T CB -0.643 68.481 68.868 0.427 0.000 0.864 108 T HN 0.342 nan 8.240 nan 0.000 0.444 109 A N 1.134 124.097 122.820 0.239 0.000 1.930 109 A HA -0.026 4.295 4.320 0.001 0.000 0.217 109 A C 2.200 179.851 177.584 0.112 0.000 1.175 109 A CA 1.799 53.939 52.037 0.172 0.000 0.627 109 A CB -0.677 18.421 19.000 0.163 0.000 0.815 109 A HN 0.543 nan 8.150 nan 0.000 0.443 110 D N -1.778 118.661 120.400 0.065 0.000 2.178 110 D HA -0.123 4.518 4.640 0.001 0.000 0.202 110 D C 1.588 177.880 176.300 -0.014 0.000 0.974 110 D CA 1.178 55.179 54.000 0.001 0.000 0.841 110 D CB -0.324 40.448 40.800 -0.046 0.000 0.953 110 D HN 0.607 nan 8.370 nan 0.000 0.478 111 Y N 1.371 121.558 120.300 -0.190 0.000 2.133 111 Y HA -0.135 4.416 4.550 0.001 0.000 0.287 111 Y C 2.259 178.214 175.900 0.091 0.000 1.134 111 Y CA 1.259 59.308 58.100 -0.086 0.000 1.133 111 Y CB -0.307 38.111 38.460 -0.070 0.000 0.987 111 Y HN -0.135 nan 8.280 nan 0.000 0.502 112 I N 0.127 120.878 120.570 0.302 0.000 2.194 112 I HA -0.365 3.806 4.170 0.001 0.000 0.246 112 I C 1.980 178.141 176.117 0.074 0.000 1.093 112 I CA 1.725 63.145 61.300 0.200 0.000 1.355 112 I CB -0.463 37.644 38.000 0.178 0.000 1.046 112 I HN 0.297 nan 8.210 nan 0.000 0.413 113 D N -0.041 120.392 120.400 0.055 0.000 2.117 113 D HA -0.231 4.409 4.640 0.001 0.000 0.197 113 D C 1.952 178.225 176.300 -0.045 0.000 0.987 113 D CA 1.364 55.369 54.000 0.009 0.000 0.829 113 D CB -0.272 40.537 40.800 0.015 0.000 0.961 113 D HN 0.403 nan 8.370 nan 0.000 0.460 114 Y N 1.078 121.276 120.300 -0.170 0.000 2.224 114 Y HA -0.167 4.384 4.550 0.001 0.000 0.289 114 Y C 2.113 177.844 175.900 -0.281 0.000 1.146 114 Y CA 1.312 59.256 58.100 -0.260 0.000 1.182 114 Y CB -0.177 38.096 38.460 -0.311 0.000 0.983 114 Y HN -0.169 nan 8.280 nan 0.000 0.524 115 M N -0.070 119.288 119.600 -0.403 0.000 2.319 115 M HA -0.029 4.452 4.480 0.001 0.000 0.265 115 M C 2.357 178.590 176.300 -0.112 0.000 1.068 115 M CA 1.275 56.420 55.300 -0.258 0.000 1.118 115 M CB -1.437 31.124 32.600 -0.065 0.000 1.395 115 M HN 0.490 nan 8.290 nan 0.000 0.435 116 A N 0.305 123.063 122.820 -0.104 0.000 2.015 116 A HA -0.139 4.182 4.320 0.001 0.000 0.219 116 A C 1.895 179.423 177.584 -0.094 0.000 1.163 116 A CA 1.255 53.271 52.037 -0.036 0.000 0.646 116 A CB -0.615 18.378 19.000 -0.012 0.000 0.806 116 A HN 0.574 nan 8.150 nan 0.000 0.448 117 E N -1.484 118.562 120.200 -0.257 0.000 2.472 117 E HA -0.174 4.176 4.350 0.001 0.000 0.200 117 E C 1.166 177.569 176.600 -0.329 0.000 1.046 117 E CA 0.550 56.755 56.400 -0.325 0.000 0.871 117 E CB -0.198 29.226 29.700 -0.460 0.000 0.806 117 E HN 0.909 nan 8.360 nan 0.000 0.533 118 W N 0.830 122.026 121.300 -0.173 0.000 2.678 118 W HA 0.067 4.728 4.660 0.001 0.000 0.256 118 W C 2.415 178.964 176.519 0.050 0.000 1.280 118 W CA 0.253 57.550 57.345 -0.080 0.000 1.345 118 W CB 0.080 29.483 29.460 -0.095 0.000 1.118 118 W HN 0.089 nan 8.180 nan 0.000 0.629 119 A N 1.508 124.459 122.820 0.218 0.000 1.894 119 A HA -0.313 4.008 4.320 0.001 0.000 0.220 119 A C 1.825 179.406 177.584 -0.006 0.000 1.237 119 A CA 2.328 54.447 52.037 0.137 0.000 0.660 119 A CB -0.746 18.280 19.000 0.044 0.000 0.835 119 A HN 0.388 nan 8.150 nan 0.000 0.461 120 R N -1.550 118.933 120.500 -0.028 0.000 2.359 120 R HA 0.259 4.600 4.340 0.001 0.000 0.231 120 R C 1.743 178.007 176.300 -0.060 0.000 0.913 120 R CA 0.198 56.247 56.100 -0.086 0.000 1.075 120 R CB 0.203 30.464 30.300 -0.066 0.000 1.087 120 R HN 0.502 nan 8.270 nan 0.000 0.515 121 R N -0.244 120.284 120.500 0.046 0.000 2.250 121 R HA 0.082 4.423 4.340 0.001 0.000 0.194 121 R C -0.130 176.305 176.300 0.225 0.000 0.927 121 R CA -0.043 56.151 56.100 0.157 0.000 1.052 121 R CB 0.253 30.708 30.300 0.259 0.000 1.055 121 R HN 0.158 nan 8.270 nan 0.000 0.537 122 Y N 2.894 123.304 120.300 0.184 0.000 2.442 122 Y HA 0.184 4.734 4.550 0.001 0.000 0.330 122 Y C -0.180 175.775 175.900 0.091 0.000 1.129 122 Y CA -1.006 57.151 58.100 0.095 0.000 1.365 122 Y CB 0.246 38.714 38.460 0.012 0.000 1.233 122 Y HN 0.014 nan 8.280 nan 0.000 0.529 123 E N 2.964 123.289 120.200 0.209 0.000 2.369 123 E HA 0.723 5.074 4.350 0.001 0.000 0.270 123 E C -0.613 176.015 176.600 0.046 0.000 0.909 123 E CA -1.269 55.169 56.400 0.064 0.000 0.775 123 E CB 1.944 31.645 29.700 0.002 0.000 1.270 123 E HN 0.845 nan 8.360 nan 0.000 0.445 124 G N 0.667 109.448 108.800 -0.031 0.000 2.568 124 G HA2 0.500 4.461 3.960 0.001 0.000 0.293 124 G HA3 0.500 4.461 3.960 0.001 0.000 0.293 124 G C -0.797 174.021 174.900 -0.135 0.000 1.347 124 G CA -0.545 44.502 45.100 -0.089 0.000 1.039 124 G HN 0.570 nan 8.290 nan 0.000 0.523 125 E N -1.544 118.551 120.200 -0.175 0.000 2.393 125 E HA 0.481 4.831 4.350 0.001 0.000 0.273 125 E C -1.084 175.399 176.600 -0.196 0.000 0.918 125 E CA -0.622 55.684 56.400 -0.157 0.000 0.773 125 E CB 2.897 32.530 29.700 -0.112 0.000 1.275 125 E HN 0.264 nan 8.360 nan 0.000 0.451 126 I N 2.724 123.200 120.570 -0.157 0.000 2.371 126 I HA 0.333 4.503 4.170 0.001 0.000 0.282 126 I C -0.710 175.340 176.117 -0.112 0.000 1.031 126 I CA -0.457 60.753 61.300 -0.150 0.000 1.180 126 I CB 0.442 38.363 38.000 -0.132 0.000 1.336 126 I HN 0.287 nan 8.210 nan 0.000 0.467 127 I N 5.334 125.831 120.570 -0.121 0.000 2.396 127 I HA 0.176 4.346 4.170 0.001 0.000 0.292 127 I C 0.409 176.480 176.117 -0.078 0.000 0.999 127 I CA -0.761 60.482 61.300 -0.095 0.000 1.310 127 I CB 0.788 38.724 38.000 -0.106 0.000 1.404 127 I HN 0.422 nan 8.210 nan 0.000 0.496 128 Q N 4.234 124.003 119.800 -0.052 0.000 2.274 128 Q HA 0.096 4.437 4.340 0.001 0.000 0.280 128 Q C 0.025 176.011 176.000 -0.023 0.000 1.047 128 Q CA 0.184 55.966 55.803 -0.034 0.000 0.907 128 Q CB 1.183 29.907 28.738 -0.023 0.000 1.171 128 Q HN 0.731 nan 8.270 nan 0.000 0.381 129 S N 1.714 117.407 115.700 -0.012 0.000 2.687 129 S HA 0.208 4.679 4.470 0.001 0.000 0.283 129 S C 0.185 174.798 174.600 0.022 0.000 1.170 129 S CA -0.642 57.567 58.200 0.015 0.000 1.008 129 S CB 0.855 64.074 63.200 0.032 0.000 1.026 129 S HN 0.411 nan 8.310 nan 0.000 0.541 130 D N 1.088 121.509 120.400 0.035 0.000 2.350 130 D HA 0.145 4.786 4.640 0.001 0.000 0.213 130 D C 0.135 176.451 176.300 0.026 0.000 1.031 130 D CA 0.412 54.427 54.000 0.026 0.000 0.861 130 D CB 0.038 40.853 40.800 0.025 0.000 0.926 130 D HN 0.414 nan 8.370 nan 0.000 0.520 131 R N 1.415 121.937 120.500 0.037 0.000 2.234 131 R HA 0.273 4.613 4.340 0.001 0.000 0.324 131 R C -2.410 173.906 176.300 0.027 0.000 1.054 131 R CA -1.579 54.541 56.100 0.035 0.000 0.912 131 R CB 0.640 30.971 30.300 0.051 0.000 1.030 131 R HN -0.141 nan 8.270 nan 0.000 0.455 132 P HA -0.083 nan 4.420 nan 0.000 0.258 132 P C 0.431 177.741 177.300 0.017 0.000 1.172 132 P CA 1.065 64.174 63.100 0.014 0.000 0.762 132 P CB 0.518 32.225 31.700 0.011 0.000 0.764 133 G N 1.899 110.708 108.800 0.014 0.000 2.198 133 G HA2 -0.277 3.684 3.960 0.001 0.000 0.260 133 G HA3 -0.277 3.684 3.960 0.001 0.000 0.260 133 G C -0.019 174.894 174.900 0.021 0.000 1.025 133 G CA -0.083 45.025 45.100 0.014 0.000 0.769 133 G HN 0.634 nan 8.290 nan 0.000 0.507 134 E N 0.057 120.272 120.200 0.025 0.000 2.183 134 E HA 0.430 4.781 4.350 0.001 0.000 0.271 134 E C -0.580 176.032 176.600 0.019 0.000 0.919 134 E CA -0.966 55.456 56.400 0.037 0.000 0.781 134 E CB 0.604 30.344 29.700 0.066 0.000 1.140 134 E HN 0.181 nan 8.360 nan 0.000 0.402 135 N N 4.389 123.097 118.700 0.013 0.000 2.400 135 N HA 0.349 5.090 4.740 0.001 0.000 0.288 135 N C -0.700 174.771 175.510 -0.064 0.000 1.024 135 N CA -0.336 52.701 53.050 -0.022 0.000 0.894 135 N CB 1.403 39.880 38.487 -0.015 0.000 1.173 135 N HN 0.470 nan 8.380 nan 0.000 0.487 136 I N 3.564 124.057 120.570 -0.129 0.000 2.330 136 I HA 0.267 4.437 4.170 0.001 0.000 0.286 136 I C -0.163 175.826 176.117 -0.214 0.000 1.025 136 I CA -0.460 60.683 61.300 -0.261 0.000 1.197 136 I CB 0.672 38.464 38.000 -0.348 0.000 1.358 136 I HN 0.201 nan 8.210 nan 0.000 0.467 137 L N 7.040 128.162 121.223 -0.168 0.000 2.289 137 L HA 0.494 4.835 4.340 0.001 0.000 0.285 137 L C -0.364 176.400 176.870 -0.177 0.000 1.049 137 L CA -0.506 54.208 54.840 -0.211 0.000 0.804 137 L CB 1.686 43.654 42.059 -0.152 0.000 1.195 137 L HN 0.522 nan 8.230 nan 0.000 0.428 138 L N 4.048 125.108 121.223 -0.271 0.000 2.337 138 L HA 0.486 4.826 4.340 0.001 0.000 0.269 138 L C -0.928 175.853 176.870 -0.149 0.000 1.018 138 L CA -0.281 54.482 54.840 -0.129 0.000 0.876 138 L CB 0.248 42.236 42.059 -0.119 0.000 1.236 138 L HN 0.310 nan 8.230 nan 0.000 0.436 139 F N 3.180 123.115 119.950 -0.025 0.000 2.375 139 F HA 0.399 4.927 4.527 0.001 0.000 0.333 139 F C 0.579 176.391 175.800 0.021 0.000 1.104 139 F CA -0.597 57.405 58.000 0.003 0.000 1.149 139 F CB 0.659 39.665 39.000 0.010 0.000 1.190 139 F HN 0.191 nan 8.300 nan 0.000 0.533 140 K N 4.140 124.690 120.400 0.249 0.000 2.268 140 K HA 0.344 4.664 4.320 0.001 0.000 0.276 140 K C -0.064 176.667 176.600 0.219 0.000 1.080 140 K CA -0.427 55.978 56.287 0.196 0.000 0.910 140 K CB 0.864 33.509 32.500 0.241 0.000 1.163 140 K HN 0.512 nan 8.250 nan 0.000 0.465 141 R N 0.600 121.183 120.500 0.139 0.000 2.691 141 R HA 0.552 4.893 4.340 0.001 0.000 0.259 141 R C 0.043 176.390 176.300 0.078 0.000 1.048 141 R CA -0.919 55.247 56.100 0.111 0.000 1.086 141 R CB 0.958 31.301 30.300 0.071 0.000 1.166 141 R HN 0.583 nan 8.270 nan 0.000 0.526 142 A N 1.040 123.909 122.820 0.080 0.000 2.304 142 A HA 0.314 4.635 4.320 0.001 0.000 0.271 142 A C 1.492 179.119 177.584 0.072 0.000 1.091 142 A CA -0.440 51.646 52.037 0.082 0.000 0.812 142 A CB 0.264 19.331 19.000 0.111 0.000 1.056 142 A HN 0.711 nan 8.150 nan 0.000 0.489 143 L N 0.968 122.238 121.223 0.079 0.000 2.156 143 L HA 0.195 4.536 4.340 0.001 0.000 0.208 143 L C 1.735 178.640 176.870 0.058 0.000 1.095 143 L CA 1.207 56.080 54.840 0.055 0.000 0.770 143 L CB -0.867 41.217 42.059 0.042 0.000 0.914 143 L HN 1.125 nan 8.230 nan 0.000 0.439 144 G N -0.609 108.241 108.800 0.083 0.000 2.433 144 G HA2 -0.196 3.764 3.960 0.001 0.000 0.211 144 G HA3 -0.196 3.764 3.960 0.001 0.000 0.211 144 G C -0.566 174.378 174.900 0.072 0.000 1.214 144 G CA -0.303 44.840 45.100 0.072 0.000 1.271 144 G HN -0.130 nan 8.290 nan 0.000 0.503 145 V N 2.791 122.730 119.914 0.043 0.000 2.383 145 V HA 0.628 4.749 4.120 0.001 0.000 0.275 145 V C 0.836 176.950 176.094 0.033 0.000 1.036 145 V CA 0.528 62.843 62.300 0.026 0.000 0.889 145 V CB 0.648 32.469 31.823 -0.002 0.000 0.985 145 V HN 1.295 nan 8.190 nan 0.000 0.459 146 T N 1.079 115.663 114.554 0.050 0.000 2.932 146 T HA 0.821 5.172 4.350 0.001 0.000 0.289 146 T C -0.231 174.485 174.700 0.028 0.000 1.039 146 T CA -0.561 61.581 62.100 0.071 0.000 1.024 146 T CB 2.063 71.053 68.868 0.203 0.000 1.090 146 T HN 0.749 nan 8.240 nan 0.000 0.496 147 T N -1.763 112.804 114.554 0.023 0.000 2.893 147 T HA 0.783 5.133 4.350 0.001 0.000 0.291 147 T C -0.097 174.602 174.700 -0.002 0.000 1.028 147 T CA -0.881 61.209 62.100 -0.016 0.000 0.995 147 T CB 1.590 70.436 68.868 -0.036 0.000 1.051 147 T HN 1.158 nan 8.240 nan 0.000 0.470 148 G N 1.441 110.220 108.800 -0.035 0.000 2.590 148 G HA2 0.651 4.612 3.960 0.001 0.000 0.310 148 G HA3 0.651 4.612 3.960 0.001 0.000 0.310 148 G C -0.910 173.960 174.900 -0.050 0.000 1.347 148 G CA -0.958 44.125 45.100 -0.028 0.000 0.963 148 G HN 0.903 nan 8.290 nan 0.000 0.494 149 I N 3.412 123.960 120.570 -0.036 0.000 2.405 149 I HA 0.280 4.451 4.170 0.001 0.000 0.280 149 I C -0.176 175.923 176.117 -0.031 0.000 1.027 149 I CA -0.457 60.821 61.300 -0.037 0.000 1.161 149 I CB 1.266 39.249 38.000 -0.027 0.000 1.300 149 I HN 0.133 nan 8.210 nan 0.000 0.463 150 L N 7.589 128.791 121.223 -0.035 0.000 2.399 150 L HA 0.653 4.994 4.340 0.001 0.000 0.265 150 L C -2.230 174.633 176.870 -0.011 0.000 1.089 150 L CA -1.711 53.112 54.840 -0.028 0.000 0.802 150 L CB 0.768 42.809 42.059 -0.029 0.000 1.180 150 L HN 0.305 nan 8.230 nan 0.000 0.454 151 P HA 0.133 nan 4.420 nan 0.000 0.289 151 P C -0.143 177.120 177.300 -0.061 0.000 1.300 151 P CA -0.616 62.427 63.100 -0.095 0.000 0.828 151 P CB 0.984 32.544 31.700 -0.232 0.000 1.235 152 W N -1.094 120.282 121.300 0.126 0.000 2.770 152 W HA 0.133 4.794 4.660 0.001 0.000 0.256 152 W C -0.058 176.492 176.519 0.052 0.000 1.291 152 W CA -0.082 57.328 57.345 0.107 0.000 1.396 152 W CB -1.652 27.880 29.460 0.122 0.000 1.114 152 W HN 0.191 nan 8.180 nan 0.000 0.637 153 N N 1.132 119.518 118.700 -0.524 0.000 2.458 153 N HA 0.114 4.855 4.740 0.001 0.000 0.270 153 N C -0.344 175.172 175.510 0.010 0.000 1.102 153 N CA -0.122 52.721 53.050 -0.345 0.000 0.967 153 N CB -0.210 37.911 38.487 -0.611 0.000 1.078 153 N HN 0.063 nan 8.380 nan 0.000 0.471 154 F N 1.424 121.428 119.950 0.090 0.000 3.048 154 F HA -0.240 4.288 4.527 0.001 0.000 0.269 154 F C -1.073 174.836 175.800 0.182 0.000 0.960 154 F CA -0.002 58.105 58.000 0.177 0.000 0.909 154 F CB -1.084 38.050 39.000 0.224 0.000 0.837 154 F HN 0.595 nan 8.300 nan 0.000 0.768 155 P HA -0.266 nan 4.420 nan 0.000 0.215 155 P C 1.762 179.213 177.300 0.251 0.000 1.153 155 P CA 1.680 64.905 63.100 0.207 0.000 0.853 155 P CB -0.084 31.736 31.700 0.200 0.000 0.788 156 F N 0.469 120.532 119.950 0.189 0.000 2.075 156 F HA -0.184 4.344 4.527 0.001 0.000 0.297 156 F C 2.354 178.297 175.800 0.237 0.000 1.113 156 F CA 1.305 59.428 58.000 0.206 0.000 1.218 156 F CB -1.369 37.775 39.000 0.240 0.000 0.984 156 F HN -0.221 nan 8.300 nan 0.000 0.472 157 F N 0.896 120.953 119.950 0.179 0.000 2.095 157 F HA -0.217 4.311 4.527 0.001 0.000 0.298 157 F C 1.967 177.708 175.800 -0.097 0.000 1.104 157 F CA 1.689 59.714 58.000 0.042 0.000 1.232 157 F CB -1.027 38.096 39.000 0.205 0.000 0.987 157 F HN -0.017 nan 8.300 nan 0.000 0.475 158 L N -0.051 120.992 121.223 -0.300 0.000 2.349 158 L HA -0.244 4.097 4.340 0.001 0.000 0.220 158 L C 2.391 179.042 176.870 -0.364 0.000 1.130 158 L CA 0.890 55.472 54.840 -0.430 0.000 0.791 158 L CB -0.648 41.319 42.059 -0.154 0.000 0.918 158 L HN 0.277 nan 8.230 nan 0.000 0.444 159 I N -0.423 119.939 120.570 -0.347 0.000 2.193 159 I HA -0.243 3.927 4.170 0.001 0.000 0.240 159 I C 2.788 178.659 176.117 -0.410 0.000 1.084 159 I CA 1.178 62.227 61.300 -0.418 0.000 1.365 159 I CB -0.435 37.151 38.000 -0.691 0.000 1.064 159 I HN 0.188 nan 8.210 nan 0.000 0.410 160 A N 0.829 123.414 122.820 -0.393 0.000 1.902 160 A HA -0.244 4.077 4.320 0.001 0.000 0.217 160 A C 2.426 179.884 177.584 -0.209 0.000 1.181 160 A CA 1.718 53.645 52.037 -0.183 0.000 0.623 160 A CB -0.706 18.279 19.000 -0.025 0.000 0.818 160 A HN 0.369 nan 8.150 nan 0.000 0.443 161 R N -0.183 119.945 120.500 -0.621 0.000 2.159 161 R HA -0.159 4.182 4.340 0.001 0.000 0.237 161 R C 1.778 178.009 176.300 -0.114 0.000 1.131 161 R CA 1.907 57.683 56.100 -0.540 0.000 0.982 161 R CB -0.133 29.598 30.300 -0.947 0.000 0.868 161 R HN 0.557 nan 8.270 nan 0.000 0.453 162 K N -0.346 119.968 120.400 -0.144 0.000 2.190 162 K HA -0.010 4.310 4.320 0.001 0.000 0.202 162 K C 2.082 178.602 176.600 -0.134 0.000 1.045 162 K CA 1.021 57.286 56.287 -0.037 0.000 0.976 162 K CB -0.060 32.435 32.500 -0.008 0.000 0.849 162 K HN 0.156 nan 8.250 nan 0.000 0.468 163 M N 0.749 120.289 119.600 -0.100 0.000 2.200 163 M HA 0.128 4.609 4.480 0.001 0.000 0.265 163 M C 2.125 178.400 176.300 -0.042 0.000 1.066 163 M CA 1.738 57.010 55.300 -0.047 0.000 1.127 163 M CB -0.580 32.055 32.600 0.059 0.000 1.379 163 M HN -0.007 nan 8.290 nan 0.000 0.420 164 A N 1.116 123.946 122.820 0.016 0.000 1.865 164 A HA -0.015 4.306 4.320 0.001 0.000 0.217 164 A C 0.190 177.768 177.584 -0.011 0.000 1.191 164 A CA 1.750 53.836 52.037 0.082 0.000 0.623 164 A CB -2.155 16.971 19.000 0.209 0.000 0.826 164 A HN 0.507 nan 8.150 nan 0.000 0.444 165 P HA -0.127 nan 4.420 nan 0.000 0.215 165 P C 1.815 178.845 177.300 -0.450 0.000 1.157 165 P CA 2.039 64.997 63.100 -0.237 0.000 0.868 165 P CB -0.166 31.398 31.700 -0.226 0.000 0.788 166 A N -0.790 121.498 122.820 -0.887 0.000 1.865 166 A HA -0.206 4.114 4.320 0.001 0.000 0.217 166 A C 2.099 179.656 177.584 -0.045 0.000 1.191 166 A CA 1.802 53.480 52.037 -0.598 0.000 0.623 166 A CB -1.730 16.979 19.000 -0.485 0.000 0.826 166 A HN 0.070 nan 8.150 nan 0.000 0.444 167 L N -0.571 120.688 121.223 0.060 0.000 2.046 167 L HA -0.122 4.219 4.340 0.001 0.000 0.208 167 L C 2.432 179.547 176.870 0.408 0.000 1.077 167 L CA 1.228 56.292 54.840 0.372 0.000 0.747 167 L CB -0.775 41.487 42.059 0.339 0.000 0.896 167 L HN 0.432 nan 8.230 nan 0.000 0.432 168 L N -0.123 121.221 121.223 0.201 0.000 2.042 168 L HA -0.213 4.128 4.340 0.001 0.000 0.210 168 L C 2.328 179.265 176.870 0.112 0.000 1.076 168 L CA 2.583 57.515 54.840 0.154 0.000 0.749 168 L CB -1.161 40.971 42.059 0.123 0.000 0.893 168 L HN 0.565 nan 8.230 nan 0.000 0.432 169 T N -3.146 111.424 114.554 0.027 0.000 3.113 169 T HA 0.179 4.529 4.350 0.001 0.000 0.263 169 T C 1.331 176.071 174.700 0.067 0.000 1.143 169 T CA 0.635 62.695 62.100 -0.066 0.000 1.090 169 T CB -0.198 68.581 68.868 -0.149 0.000 0.922 169 T HN 0.625 nan 8.240 nan 0.000 0.521 170 G N 1.040 109.926 108.800 0.144 0.000 2.138 170 G HA2 -0.182 3.778 3.960 0.001 0.000 0.193 170 G HA3 -0.182 3.778 3.960 0.001 0.000 0.193 170 G C -0.214 174.900 174.900 0.356 0.000 0.998 170 G CA -0.443 44.755 45.100 0.165 0.000 0.668 170 G HN 0.559 nan 8.290 nan 0.000 0.516 171 N N 0.580 119.489 118.700 0.349 0.000 2.482 171 N HA 0.636 5.377 4.740 0.001 0.000 0.279 171 N C 0.295 175.924 175.510 0.199 0.000 1.182 171 N CA 0.533 53.741 53.050 0.263 0.000 0.969 171 N CB 1.432 40.047 38.487 0.213 0.000 1.201 171 N HN 0.452 nan 8.380 nan 0.000 0.523 172 T N -1.942 112.656 114.554 0.073 0.000 2.918 172 T HA 0.727 5.078 4.350 0.001 0.000 0.286 172 T C -0.013 174.656 174.700 -0.051 0.000 1.026 172 T CA -0.738 61.316 62.100 -0.077 0.000 1.031 172 T CB 1.418 70.228 68.868 -0.097 0.000 1.046 172 T HN 0.451 nan 8.240 nan 0.000 0.479 173 I N 1.180 121.688 120.570 -0.104 0.000 2.865 173 I HA 0.665 4.836 4.170 0.001 0.000 0.302 173 I C -1.660 174.321 176.117 -0.228 0.000 1.140 173 I CA -1.400 59.838 61.300 -0.103 0.000 1.021 173 I CB 2.205 40.176 38.000 -0.048 0.000 1.233 173 I HN 0.569 nan 8.210 nan 0.000 0.427 174 V N 7.522 127.316 119.914 -0.201 0.000 2.357 174 V HA 0.434 4.555 4.120 0.001 0.000 0.281 174 V C -0.090 175.866 176.094 -0.229 0.000 1.015 174 V CA -0.395 61.751 62.300 -0.258 0.000 0.827 174 V CB 1.165 32.883 31.823 -0.175 0.000 1.018 174 V HN 0.450 nan 8.190 nan 0.000 0.432 175 I N 4.221 124.599 120.570 -0.319 0.000 2.385 175 I HA 0.435 4.606 4.170 0.001 0.000 0.294 175 I C 0.277 176.295 176.117 -0.164 0.000 0.988 175 I CA -0.384 60.788 61.300 -0.214 0.000 1.265 175 I CB 1.522 39.396 38.000 -0.211 0.000 1.388 175 I HN 0.472 nan 8.210 nan 0.000 0.480 176 K N 8.758 129.091 120.400 -0.112 0.000 2.473 176 K HA 0.413 4.733 4.320 0.001 0.000 0.246 176 K C -2.487 174.072 176.600 -0.068 0.000 1.011 176 K CA -1.782 54.449 56.287 -0.094 0.000 0.984 176 K CB 1.246 33.691 32.500 -0.092 0.000 1.250 176 K HN 0.229 nan 8.250 nan 0.000 0.454 177 P HA -0.077 nan 4.420 nan 0.000 0.272 177 P C -0.268 177.019 177.300 -0.023 0.000 1.248 177 P CA -0.236 62.853 63.100 -0.018 0.000 0.799 177 P CB 0.714 32.420 31.700 0.010 0.000 0.997 178 S N -0.795 114.915 115.700 0.018 0.000 2.564 178 S HA -0.008 4.463 4.470 0.001 0.000 0.278 178 S C 1.403 175.957 174.600 -0.077 0.000 1.333 178 S CA -0.325 57.882 58.200 0.011 0.000 1.048 178 S CB -0.158 63.142 63.200 0.167 0.000 0.900 178 S HN 0.585 nan 8.310 nan 0.000 0.505 179 E N 2.750 122.784 120.200 -0.276 0.000 2.219 179 E HA -0.193 4.158 4.350 0.001 0.000 0.198 179 E C 0.528 176.895 176.600 -0.389 0.000 0.998 179 E CA 1.549 57.701 56.400 -0.413 0.000 0.818 179 E CB -0.142 29.172 29.700 -0.644 0.000 0.741 179 E HN 0.874 nan 8.360 nan 0.000 0.477 180 F N 0.118 120.106 119.950 0.063 0.000 2.698 180 F HA 0.091 4.618 4.527 0.001 0.000 0.295 180 F C 1.416 177.255 175.800 0.065 0.000 1.124 180 F CA 0.905 58.926 58.000 0.035 0.000 1.426 180 F CB 0.489 39.475 39.000 -0.024 0.000 1.120 180 F HN -0.029 nan 8.300 nan 0.000 0.583 181 T N -2.572 112.125 114.554 0.237 0.000 3.741 181 T HA 0.265 4.616 4.350 0.001 0.000 0.242 181 T C -2.062 172.715 174.700 0.128 0.000 1.042 181 T CA -1.253 60.963 62.100 0.194 0.000 1.278 181 T CB 0.724 69.744 68.868 0.254 0.000 0.994 181 T HN -0.084 nan 8.240 nan 0.000 0.594 182 P HA 0.086 nan 4.420 nan 0.000 0.235 182 P C 0.952 178.250 177.300 -0.005 0.000 1.177 182 P CA 0.244 63.366 63.100 0.036 0.000 0.785 182 P CB 0.324 32.033 31.700 0.014 0.000 0.885 183 N N 2.063 120.766 118.700 0.004 0.000 2.043 183 N HA -0.172 4.568 4.740 0.001 0.000 0.193 183 N C 1.556 177.078 175.510 0.019 0.000 1.037 183 N CA 1.949 54.970 53.050 -0.049 0.000 0.851 183 N CB -1.301 37.210 38.487 0.040 0.000 1.027 183 N HN 0.363 nan 8.380 nan 0.000 0.422 184 N N 1.121 119.878 118.700 0.095 0.000 2.149 184 N HA -0.112 4.629 4.740 0.001 0.000 0.188 184 N C 1.569 177.276 175.510 0.328 0.000 1.019 184 N CA 1.618 54.772 53.050 0.174 0.000 0.857 184 N CB -0.521 38.107 38.487 0.235 0.000 0.997 184 N HN 0.225 nan 8.380 nan 0.000 0.426 185 A N 1.172 124.138 122.820 0.244 0.000 1.877 185 A HA -0.056 4.265 4.320 0.001 0.000 0.216 185 A C 2.203 179.942 177.584 0.258 0.000 1.186 185 A CA 1.289 53.467 52.037 0.236 0.000 0.620 185 A CB -0.641 18.433 19.000 0.124 0.000 0.822 185 A HN 0.268 nan 8.150 nan 0.000 0.443 186 I N 0.194 120.844 120.570 0.134 0.000 2.151 186 I HA -0.306 3.865 4.170 0.001 0.000 0.243 186 I C 2.974 179.221 176.117 0.217 0.000 1.080 186 I CA 1.596 62.985 61.300 0.149 0.000 1.339 186 I CB -1.664 36.257 38.000 -0.133 0.000 1.039 186 I HN 0.384 nan 8.210 nan 0.000 0.409 187 A N 0.437 123.357 122.820 0.167 0.000 1.908 187 A HA -0.286 4.035 4.320 0.001 0.000 0.218 187 A C 2.320 180.047 177.584 0.238 0.000 1.181 187 A CA 1.709 53.843 52.037 0.163 0.000 0.627 187 A CB -1.158 17.904 19.000 0.103 0.000 0.818 187 A HN 0.382 nan 8.150 nan 0.000 0.445 188 F N 0.913 120.987 119.950 0.208 0.000 2.095 188 F HA -0.104 4.424 4.527 0.001 0.000 0.298 188 F C 2.552 178.333 175.800 -0.033 0.000 1.104 188 F CA 1.188 59.274 58.000 0.143 0.000 1.232 188 F CB -0.516 38.563 39.000 0.132 0.000 0.987 188 F HN 0.248 nan 8.300 nan 0.000 0.475 189 A N -0.076 122.965 122.820 0.368 0.000 1.933 189 A HA -0.208 4.113 4.320 0.001 0.000 0.218 189 A C 2.257 179.823 177.584 -0.030 0.000 1.175 189 A CA 1.774 53.862 52.037 0.086 0.000 0.628 189 A CB -0.673 18.396 19.000 0.116 0.000 0.814 189 A HN 0.453 nan 8.150 nan 0.000 0.444 190 K N -0.561 119.993 120.400 0.256 0.000 2.097 190 K HA -0.037 4.283 4.320 0.001 0.000 0.206 190 K C 1.733 178.369 176.600 0.061 0.000 1.049 190 K CA 1.467 57.903 56.287 0.248 0.000 0.933 190 K CB -0.308 32.279 32.500 0.145 0.000 0.717 190 K HN 0.539 nan 8.250 nan 0.000 0.442 191 I N 0.393 120.939 120.570 -0.041 0.000 2.315 191 I HA -0.251 3.920 4.170 0.001 0.000 0.248 191 I C 2.112 178.128 176.117 -0.168 0.000 1.117 191 I CA 0.843 62.070 61.300 -0.121 0.000 1.404 191 I CB -0.091 37.775 38.000 -0.224 0.000 1.071 191 I HN -0.054 nan 8.210 nan 0.000 0.419 192 V N 0.648 120.399 119.914 -0.272 0.000 2.343 192 V HA -0.319 3.801 4.120 0.001 0.000 0.247 192 V C 2.178 178.198 176.094 -0.124 0.000 1.051 192 V CA 2.190 64.338 62.300 -0.253 0.000 1.036 192 V CB -0.545 31.068 31.823 -0.350 0.000 0.654 192 V HN 0.433 nan 8.190 nan 0.000 0.451 193 D N -0.113 120.201 120.400 -0.144 0.000 2.084 193 D HA -0.170 4.471 4.640 0.001 0.000 0.194 193 D C 2.232 178.594 176.300 0.102 0.000 0.990 193 D CA 1.522 55.548 54.000 0.043 0.000 0.826 193 D CB -0.076 40.826 40.800 0.171 0.000 0.971 193 D HN 0.516 nan 8.370 nan 0.000 0.453 194 E N -0.052 120.199 120.200 0.085 0.000 2.049 194 E HA -0.180 4.171 4.350 0.001 0.000 0.198 194 E C 2.342 179.003 176.600 0.102 0.000 1.007 194 E CA 1.445 57.899 56.400 0.089 0.000 0.809 194 E CB -0.348 29.389 29.700 0.061 0.000 0.749 194 E HN 0.562 nan 8.360 nan 0.000 0.450 195 I N -2.731 117.900 120.570 0.101 0.000 2.756 195 I HA 0.070 4.241 4.170 0.001 0.000 0.262 195 I C 1.319 177.615 176.117 0.299 0.000 1.225 195 I CA 0.988 62.397 61.300 0.182 0.000 1.472 195 I CB -0.374 37.746 38.000 0.200 0.000 1.094 195 I HN 0.195 nan 8.210 nan 0.000 0.454 196 G N 2.051 110.961 108.800 0.185 0.000 2.149 196 G HA2 -0.272 3.689 3.960 0.001 0.000 0.235 196 G HA3 -0.272 3.689 3.960 0.001 0.000 0.235 196 G C -0.060 174.777 174.900 -0.104 0.000 1.018 196 G CA 0.152 45.334 45.100 0.138 0.000 0.728 196 G HN 0.485 nan 8.290 nan 0.000 0.508 197 L N 1.021 122.109 121.223 -0.224 0.000 2.593 197 L HA 0.390 4.731 4.340 0.001 0.000 0.287 197 L C -1.226 175.314 176.870 -0.551 0.000 1.243 197 L CA -0.404 54.047 54.840 -0.648 0.000 0.890 197 L CB 0.073 41.919 42.059 -0.356 0.000 1.134 197 L HN 0.077 nan 8.230 nan 0.000 0.502 198 P HA -0.066 nan 4.420 nan 0.000 0.261 198 P C -1.181 175.967 177.300 -0.254 0.000 1.165 198 P CA 0.184 63.070 63.100 -0.356 0.000 0.759 198 P CB 0.153 31.707 31.700 -0.243 0.000 0.772 199 R N 3.041 123.454 120.500 -0.146 0.000 2.538 199 R HA 0.241 4.582 4.340 0.001 0.000 0.282 199 R C 1.071 177.282 176.300 -0.148 0.000 1.009 199 R CA 0.323 56.346 56.100 -0.127 0.000 1.063 199 R CB -0.842 29.399 30.300 -0.098 0.000 0.945 199 R HN 0.753 nan 8.270 nan 0.000 0.414 200 G N 1.451 110.155 108.800 -0.160 0.000 2.299 200 G HA2 -0.354 3.607 3.960 0.001 0.000 0.237 200 G HA3 -0.354 3.607 3.960 0.001 0.000 0.237 200 G C 0.753 175.530 174.900 -0.205 0.000 1.027 200 G CA 0.176 45.176 45.100 -0.166 0.000 0.619 200 G HN 0.448 nan 8.290 nan 0.000 0.513 201 V N -0.185 119.548 119.914 -0.301 0.000 2.332 201 V HA 0.151 4.272 4.120 0.001 0.000 0.248 201 V C 1.251 177.183 176.094 -0.270 0.000 1.055 201 V CA 2.242 64.246 62.300 -0.492 0.000 1.038 201 V CB -0.325 30.873 31.823 -1.042 0.000 0.651 201 V HN 0.554 nan 8.190 nan 0.000 0.450 202 F N 1.427 121.217 119.950 -0.266 0.000 2.477 202 F HA 0.535 5.063 4.527 0.001 0.000 0.335 202 F C -0.293 175.505 175.800 -0.004 0.000 1.130 202 F CA -0.940 56.984 58.000 -0.127 0.000 0.948 202 F CB 0.857 39.813 39.000 -0.075 0.000 1.154 202 F HN 0.009 nan 8.300 nan 0.000 0.439 203 N N 6.202 124.427 118.700 -0.791 0.000 2.238 203 N HA 0.478 5.219 4.740 0.001 0.000 0.302 203 N C -2.014 173.098 175.510 -0.663 0.000 1.072 203 N CA -0.618 52.123 53.050 -0.514 0.000 0.792 203 N CB 2.906 41.203 38.487 -0.318 0.000 1.425 203 N HN 0.602 nan 8.380 nan 0.000 0.478 204 L N 2.159 123.205 121.223 -0.296 0.000 2.349 204 L HA 0.495 4.836 4.340 0.001 0.000 0.278 204 L C -0.938 175.879 176.870 -0.087 0.000 0.996 204 L CA -0.811 53.917 54.840 -0.185 0.000 0.825 204 L CB 1.387 43.464 42.059 0.030 0.000 1.243 204 L HN 0.361 nan 8.230 nan 0.000 0.412 205 V N 3.719 123.564 119.914 -0.116 0.000 2.444 205 V HA 0.605 4.726 4.120 0.001 0.000 0.294 205 V C -0.331 175.694 176.094 -0.115 0.000 1.022 205 V CA -0.760 61.477 62.300 -0.105 0.000 0.850 205 V CB 1.351 33.100 31.823 -0.123 0.000 0.992 205 V HN 0.645 nan 8.190 nan 0.000 0.426 206 L N 5.322 126.466 121.223 -0.131 0.000 2.357 206 L HA 1.013 5.353 4.340 0.001 0.000 0.273 206 L C 0.940 177.654 176.870 -0.260 0.000 1.080 206 L CA 0.453 55.196 54.840 -0.162 0.000 0.803 206 L CB 1.261 43.245 42.059 -0.126 0.000 1.174 206 L HN 1.165 nan 8.230 nan 0.000 0.443 207 G N 1.711 110.374 108.800 -0.230 0.000 2.352 207 G HA2 0.128 4.088 3.960 0.001 0.000 0.283 207 G HA3 0.128 4.088 3.960 0.001 0.000 0.283 207 G C -1.551 173.231 174.900 -0.196 0.000 1.308 207 G CA -0.986 43.960 45.100 -0.255 0.000 0.892 207 G HN 0.437 nan 8.290 nan 0.000 0.504 208 R N -0.482 119.914 120.500 -0.174 0.000 2.532 208 R HA 0.529 4.869 4.340 0.001 0.000 0.272 208 R C 1.691 177.926 176.300 -0.107 0.000 1.032 208 R CA 0.000 56.014 56.100 -0.144 0.000 1.089 208 R CB 1.299 31.528 30.300 -0.117 0.000 1.098 208 R HN 0.723 nan 8.270 nan 0.000 0.526 209 G N 0.985 109.735 108.800 -0.084 0.000 2.418 209 G HA2 -0.265 3.695 3.960 0.001 0.000 0.217 209 G HA3 -0.265 3.695 3.960 0.001 0.000 0.217 209 G C 0.761 175.637 174.900 -0.040 0.000 1.158 209 G CA 0.630 45.698 45.100 -0.052 0.000 0.771 209 G HN 0.549 nan 8.290 nan 0.000 0.545 210 E N 0.281 120.461 120.200 -0.033 0.000 2.265 210 E HA -0.026 4.325 4.350 0.001 0.000 0.196 210 E C 2.632 179.212 176.600 -0.032 0.000 0.996 210 E CA 1.548 57.934 56.400 -0.023 0.000 0.832 210 E CB -0.244 29.448 29.700 -0.014 0.000 0.756 210 E HN 0.642 nan 8.360 nan 0.000 0.491 211 T N -2.795 111.729 114.554 -0.050 0.000 3.252 211 T HA 0.058 4.409 4.350 0.001 0.000 0.233 211 T C 1.996 176.657 174.700 -0.064 0.000 0.975 211 T CA 0.395 62.462 62.100 -0.055 0.000 1.318 211 T CB -0.764 68.061 68.868 -0.071 0.000 1.014 211 T HN -0.042 nan 8.240 nan 0.000 0.418 212 V N 2.122 121.983 119.914 -0.090 0.000 2.626 212 V HA 0.093 4.213 4.120 0.001 0.000 0.252 212 V C 2.966 179.015 176.094 -0.075 0.000 1.067 212 V CA 1.818 64.061 62.300 -0.094 0.000 1.081 212 V CB -1.424 30.322 31.823 -0.129 0.000 0.686 212 V HN 0.750 nan 8.190 nan 0.000 0.468 213 G N -1.148 107.613 108.800 -0.066 0.000 2.394 213 G HA2 -0.191 3.769 3.960 0.001 0.000 0.214 213 G HA3 -0.191 3.769 3.960 0.001 0.000 0.214 213 G C 1.478 176.355 174.900 -0.039 0.000 1.176 213 G CA 0.288 45.358 45.100 -0.051 0.000 0.786 213 G HN 0.402 nan 8.290 nan 0.000 0.533 214 Q N 0.150 119.929 119.800 -0.034 0.000 2.181 214 Q HA -0.115 4.226 4.340 0.001 0.000 0.205 214 Q C 2.375 178.358 176.000 -0.029 0.000 0.980 214 Q CA 1.520 57.308 55.803 -0.026 0.000 0.862 214 Q CB -0.202 28.524 28.738 -0.021 0.000 0.905 214 Q HN 0.562 nan 8.270 nan 0.000 0.429 215 E N 0.677 120.856 120.200 -0.035 0.000 2.072 215 E HA -0.062 4.288 4.350 0.001 0.000 0.190 215 E C 1.934 178.511 176.600 -0.038 0.000 0.982 215 E CA 0.629 57.007 56.400 -0.035 0.000 0.803 215 E CB -0.257 29.419 29.700 -0.040 0.000 0.755 215 E HN 0.290 nan 8.360 nan 0.000 0.453 216 L N -0.422 120.773 121.223 -0.045 0.000 2.353 216 L HA -0.087 4.253 4.340 0.001 0.000 0.220 216 L C 2.085 178.934 176.870 -0.035 0.000 1.133 216 L CA 1.012 55.824 54.840 -0.046 0.000 0.798 216 L CB -0.316 41.710 42.059 -0.055 0.000 0.922 216 L HN 0.212 nan 8.230 nan 0.000 0.445 217 A N -0.779 122.023 122.820 -0.030 0.000 2.035 217 A HA 0.213 4.534 4.320 0.001 0.000 0.208 217 A C 2.144 179.715 177.584 -0.021 0.000 1.206 217 A CA 0.757 52.780 52.037 -0.024 0.000 0.773 217 A CB -0.297 18.691 19.000 -0.020 0.000 0.878 217 A HN 0.329 nan 8.150 nan 0.000 0.469 218 G N -0.419 108.368 108.800 -0.021 0.000 3.042 218 G HA2 0.023 3.984 3.960 0.001 0.000 0.212 218 G HA3 0.023 3.984 3.960 0.001 0.000 0.212 218 G C 0.457 175.346 174.900 -0.019 0.000 1.166 218 G CA -0.179 44.910 45.100 -0.019 0.000 0.767 218 G HN 0.358 nan 8.290 nan 0.000 0.546 219 N N 1.614 120.301 118.700 -0.022 0.000 2.452 219 N HA 0.085 4.826 4.740 0.001 0.000 0.266 219 N C -1.042 174.457 175.510 -0.018 0.000 1.175 219 N CA -1.417 51.620 53.050 -0.021 0.000 0.945 219 N CB 2.061 40.533 38.487 -0.026 0.000 1.063 219 N HN -0.027 nan 8.380 nan 0.000 0.472 220 P HA -0.149 nan 4.420 nan 0.000 0.220 220 P C 0.358 177.650 177.300 -0.013 0.000 1.144 220 P CA 1.338 64.430 63.100 -0.014 0.000 0.800 220 P CB 0.364 32.056 31.700 -0.012 0.000 0.772 221 K N -0.513 119.879 120.400 -0.015 0.000 2.418 221 K HA 0.100 4.421 4.320 0.001 0.000 0.195 221 K C 0.491 177.084 176.600 -0.012 0.000 1.035 221 K CA 0.110 56.390 56.287 -0.013 0.000 1.003 221 K CB 0.111 32.601 32.500 -0.016 0.000 0.793 221 K HN 0.041 nan 8.250 nan 0.000 0.494 222 V N 1.898 121.804 119.914 -0.014 0.000 2.405 222 V HA 0.055 4.176 4.120 0.001 0.000 0.264 222 V C 1.128 177.217 176.094 -0.009 0.000 1.048 222 V CA -0.066 62.227 62.300 -0.012 0.000 0.966 222 V CB 0.849 32.661 31.823 -0.019 0.000 1.015 222 V HN 0.226 nan 8.190 nan 0.000 0.477 223 A N 5.350 128.169 122.820 -0.001 0.000 2.014 223 A HA 0.167 4.488 4.320 0.001 0.000 0.218 223 A C 0.867 178.440 177.584 -0.018 0.000 1.163 223 A CA 1.126 53.161 52.037 -0.004 0.000 0.652 223 A CB 0.007 19.012 19.000 0.009 0.000 0.808 223 A HN 0.764 nan 8.150 nan 0.000 0.449 224 M N -1.240 118.349 119.600 -0.018 0.000 2.373 224 M HA 0.465 4.946 4.480 0.001 0.000 0.290 224 M C -2.203 174.080 176.300 -0.027 0.000 1.143 224 M CA -0.418 54.857 55.300 -0.042 0.000 0.949 224 M CB 2.035 34.580 32.600 -0.093 0.000 1.756 224 M HN -0.050 nan 8.290 nan 0.000 0.494 225 V N 3.777 123.672 119.914 -0.032 0.000 2.357 225 V HA 0.681 4.802 4.120 0.001 0.000 0.284 225 V C -0.898 175.184 176.094 -0.019 0.000 1.018 225 V CA 0.011 62.299 62.300 -0.020 0.000 0.841 225 V CB 1.742 33.553 31.823 -0.021 0.000 0.991 225 V HN 0.872 nan 8.190 nan 0.000 0.437 226 S N 8.621 124.322 115.700 0.002 0.000 2.462 226 S HA 0.749 5.220 4.470 0.001 0.000 0.294 226 S C -0.582 174.024 174.600 0.010 0.000 1.144 226 S CA -0.642 57.566 58.200 0.013 0.000 1.088 226 S CB 0.949 64.193 63.200 0.074 0.000 1.009 226 S HN 0.889 nan 8.310 nan 0.000 0.484 227 M N 4.172 123.776 119.600 0.007 0.000 2.484 227 M HA 0.450 4.931 4.480 0.001 0.000 0.289 227 M C -1.776 174.530 176.300 0.010 0.000 1.206 227 M CA -0.135 55.167 55.300 0.003 0.000 0.892 227 M CB 1.857 34.458 32.600 0.002 0.000 1.712 227 M HN 0.606 nan 8.290 nan 0.000 0.462 228 T N 2.872 117.428 114.554 0.003 0.000 2.841 228 T HA 0.855 5.206 4.350 0.001 0.000 0.285 228 T C -0.028 174.669 174.700 -0.004 0.000 0.991 228 T CA 0.088 62.193 62.100 0.008 0.000 0.966 228 T CB 1.694 70.562 68.868 0.001 0.000 0.962 228 T HN 1.021 nan 8.240 nan 0.000 0.438 229 G N 2.084 110.890 108.800 0.011 0.000 2.600 229 G HA2 0.408 4.369 3.960 0.001 0.000 0.103 229 G HA3 0.408 4.369 3.960 0.001 0.000 0.103 229 G C -0.659 174.274 174.900 0.055 0.000 1.090 229 G CA -0.107 44.998 45.100 0.009 0.000 1.090 229 G HN 0.993 nan 8.290 nan 0.000 0.500 230 S N -0.196 115.560 115.700 0.093 0.000 2.586 230 S HA 0.504 4.975 4.470 0.001 0.000 0.274 230 S C 1.460 176.132 174.600 0.120 0.000 1.281 230 S CA 0.448 58.720 58.200 0.120 0.000 1.035 230 S CB 1.750 65.045 63.200 0.160 0.000 0.962 230 S HN 1.822 nan 8.310 nan 0.000 0.512 231 V N 2.730 122.740 119.914 0.160 0.000 2.324 231 V HA -0.178 3.942 4.120 0.001 0.000 0.250 231 V C 2.579 178.730 176.094 0.095 0.000 1.060 231 V CA 2.878 65.270 62.300 0.155 0.000 1.042 231 V CB -0.970 30.983 31.823 0.215 0.000 0.650 231 V HN 1.124 nan 8.190 nan 0.000 0.450 232 S N -0.324 115.433 115.700 0.095 0.000 2.353 232 S HA -0.209 4.262 4.470 0.001 0.000 0.222 232 S C 2.136 176.773 174.600 0.061 0.000 1.035 232 S CA 2.116 60.359 58.200 0.072 0.000 1.025 232 S CB -0.642 62.606 63.200 0.080 0.000 0.902 232 S HN 0.937 nan 8.310 nan 0.000 0.440 233 A N 0.676 123.538 122.820 0.070 0.000 1.930 233 A HA 0.160 4.480 4.320 0.001 0.000 0.217 233 A C 2.375 179.983 177.584 0.040 0.000 1.175 233 A CA 1.741 53.811 52.037 0.055 0.000 0.627 233 A CB -1.619 17.418 19.000 0.063 0.000 0.815 233 A HN 0.665 nan 8.150 nan 0.000 0.443 234 G N -0.603 108.225 108.800 0.046 0.000 2.422 234 G HA2 -0.256 3.705 3.960 0.001 0.000 0.218 234 G HA3 -0.256 3.705 3.960 0.001 0.000 0.218 234 G C 1.467 176.381 174.900 0.022 0.000 1.146 234 G CA 1.061 46.181 45.100 0.034 0.000 0.769 234 G HN 0.654 nan 8.290 nan 0.000 0.547 235 E N 0.319 120.534 120.200 0.025 0.000 2.110 235 E HA -0.110 4.240 4.350 0.001 0.000 0.193 235 E C 2.383 178.989 176.600 0.010 0.000 0.988 235 E CA 0.937 57.345 56.400 0.014 0.000 0.804 235 E CB -0.037 29.672 29.700 0.015 0.000 0.745 235 E HN 0.397 nan 8.360 nan 0.000 0.458 236 K N 0.049 120.458 120.400 0.015 0.000 2.103 236 K HA -0.052 4.269 4.320 0.001 0.000 0.204 236 K C 2.157 178.760 176.600 0.003 0.000 1.052 236 K CA 0.924 57.216 56.287 0.009 0.000 0.945 236 K CB 0.032 32.540 32.500 0.014 0.000 0.722 236 K HN 0.203 nan 8.250 nan 0.000 0.443 237 I N 0.909 121.482 120.570 0.005 0.000 2.202 237 I HA -0.254 3.917 4.170 0.001 0.000 0.242 237 I C 2.621 178.735 176.117 -0.006 0.000 1.091 237 I CA 1.091 62.389 61.300 -0.002 0.000 1.368 237 I CB -0.107 37.893 38.000 -0.000 0.000 1.058 237 I HN 0.193 nan 8.210 nan 0.000 0.410 238 M N 0.655 120.252 119.600 -0.004 0.000 2.117 238 M HA -0.189 4.291 4.480 0.001 0.000 0.262 238 M C 2.425 178.719 176.300 -0.011 0.000 1.065 238 M CA 2.060 57.354 55.300 -0.009 0.000 1.114 238 M CB -0.110 32.484 32.600 -0.010 0.000 1.361 238 M HN 0.264 nan 8.290 nan 0.000 0.408 239 A N -0.452 122.363 122.820 -0.008 0.000 1.908 239 A HA -0.173 4.148 4.320 0.001 0.000 0.218 239 A C 2.066 179.644 177.584 -0.010 0.000 1.181 239 A CA 2.382 54.414 52.037 -0.009 0.000 0.627 239 A CB -1.284 17.713 19.000 -0.006 0.000 0.818 239 A HN 0.570 nan 8.150 nan 0.000 0.445 240 T N 0.072 114.621 114.554 -0.009 0.000 2.777 240 T HA 0.061 4.411 4.350 0.001 0.000 0.266 240 T C 2.215 176.907 174.700 -0.013 0.000 1.040 240 T CA 1.357 63.451 62.100 -0.011 0.000 1.141 240 T CB -0.415 68.447 68.868 -0.011 0.000 0.868 240 T HN 0.595 nan 8.240 nan 0.000 0.444 241 A N 1.490 124.302 122.820 -0.014 0.000 2.024 241 A HA 0.122 4.443 4.320 0.001 0.000 0.220 241 A C 2.614 180.189 177.584 -0.017 0.000 1.164 241 A CA 1.743 53.770 52.037 -0.017 0.000 0.643 241 A CB -1.008 17.980 19.000 -0.019 0.000 0.806 241 A HN 0.501 nan 8.150 nan 0.000 0.451 242 A N 0.133 122.944 122.820 -0.016 0.000 1.948 242 A HA -0.230 4.091 4.320 0.001 0.000 0.220 242 A C 2.048 179.623 177.584 -0.015 0.000 1.177 242 A CA 1.965 53.993 52.037 -0.016 0.000 0.636 242 A CB -0.488 18.503 19.000 -0.015 0.000 0.815 242 A HN 0.584 nan 8.150 nan 0.000 0.449 243 K N -0.272 120.120 120.400 -0.013 0.000 2.113 243 K HA -0.142 4.179 4.320 0.001 0.000 0.208 243 K C 0.415 177.008 176.600 -0.013 0.000 1.047 243 K CA 1.505 57.785 56.287 -0.012 0.000 0.928 243 K CB -0.156 32.337 32.500 -0.012 0.000 0.716 243 K HN 0.480 nan 8.250 nan 0.000 0.446 244 N N 0.663 119.355 118.700 -0.014 0.000 2.275 244 N HA 0.093 4.834 4.740 0.001 0.000 0.236 244 N C -0.429 175.072 175.510 -0.015 0.000 1.154 244 N CA 0.064 53.106 53.050 -0.014 0.000 0.866 244 N CB 0.773 39.252 38.487 -0.014 0.000 1.093 244 N HN 0.011 nan 8.380 nan 0.000 0.515 245 I N 0.608 121.169 120.570 -0.016 0.000 6.450 245 I HA -0.243 3.928 4.170 0.001 0.000 0.126 245 I C -0.249 175.856 176.117 -0.019 0.000 1.777 245 I CA 0.835 62.125 61.300 -0.017 0.000 2.236 245 I CB -3.225 34.766 38.000 -0.016 0.000 3.397 245 I HN -0.014 nan 8.210 nan 0.000 0.226 246 T N 2.271 116.813 114.554 -0.020 0.000 2.870 246 T HA 0.148 4.498 4.350 0.001 0.000 0.300 246 T C 0.821 175.504 174.700 -0.028 0.000 0.989 246 T CA -0.320 61.766 62.100 -0.022 0.000 1.139 246 T CB 1.650 70.506 68.868 -0.021 0.000 0.920 246 T HN 0.264 nan 8.240 nan 0.000 0.537 247 K N 2.426 122.806 120.400 -0.034 0.000 2.355 247 K HA 0.355 4.676 4.320 0.001 0.000 0.270 247 K C 0.049 176.620 176.600 -0.048 0.000 1.003 247 K CA -0.441 55.820 56.287 -0.044 0.000 0.957 247 K CB 0.324 32.790 32.500 -0.057 0.000 0.939 247 K HN 0.485 nan 8.250 nan 0.000 0.482 251 E N 3.321 123.542 120.200 0.034 0.000 2.402 251 E HA 0.359 4.710 4.350 0.001 0.000 0.244 251 E C -0.853 175.782 176.600 0.059 0.000 0.945 251 E CA -0.285 56.142 56.400 0.043 0.000 0.774 251 E CB 1.339 31.083 29.700 0.074 0.000 1.296 251 E HN 0.643 nan 8.360 nan 0.000 0.414 252 L N 3.039 124.309 121.223 0.078 0.000 2.848 252 L HA 0.314 4.655 4.340 0.001 0.000 0.240 252 L C 1.278 178.204 176.870 0.093 0.000 1.232 252 L CA -0.062 54.841 54.840 0.104 0.000 1.031 252 L CB -0.382 41.768 42.059 0.152 0.000 1.338 252 L HN 0.686 nan 8.230 nan 0.000 0.509 253 G N 1.102 109.940 108.800 0.064 0.000 2.627 253 G HA2 -0.085 3.875 3.960 0.001 0.000 0.312 253 G HA3 -0.085 3.875 3.960 0.001 0.000 0.312 253 G C 0.370 175.237 174.900 -0.055 0.000 1.299 253 G CA 0.226 45.339 45.100 0.022 0.000 0.989 253 G HN 0.851 nan 8.290 nan 0.000 0.547 254 G N -2.473 106.156 108.800 -0.284 0.000 2.403 254 G HA2 0.459 4.420 3.960 0.001 0.000 0.223 254 G HA3 0.459 4.420 3.960 0.001 0.000 0.223 254 G C -0.879 173.769 174.900 -0.421 0.000 1.287 254 G CA 0.577 45.257 45.100 -0.699 0.000 0.982 254 G HN 1.004 nan 8.290 nan 0.000 0.471 255 K N 1.436 121.729 120.400 -0.180 0.000 2.901 255 K HA 0.618 4.938 4.320 0.001 0.000 0.199 255 K C 0.537 177.179 176.600 0.070 0.000 1.140 255 K CA 0.104 56.378 56.287 -0.022 0.000 1.030 255 K CB 0.509 33.049 32.500 0.067 0.000 1.437 255 K HN 1.055 nan 8.250 nan 0.000 0.552 256 A N 3.621 126.462 122.820 0.035 0.000 2.558 256 A HA 0.002 4.323 4.320 0.001 0.000 0.262 256 A C -2.020 175.553 177.584 -0.018 0.000 1.049 256 A CA -0.075 51.959 52.037 -0.005 0.000 0.804 256 A CB -0.565 18.431 19.000 -0.006 0.000 0.957 256 A HN 0.221 nan 8.150 nan 0.000 0.520 257 P HA 0.585 nan 4.420 nan 0.000 0.287 257 P C -0.833 176.464 177.300 -0.005 0.000 1.270 257 P CA -0.449 62.675 63.100 0.040 0.000 0.844 257 P CB 1.977 33.763 31.700 0.142 0.000 1.068 258 A N 3.091 125.992 122.820 0.135 0.000 2.374 258 A HA 0.681 5.002 4.320 0.001 0.000 0.305 258 A C -0.559 177.165 177.584 0.235 0.000 1.053 258 A CA -0.819 51.309 52.037 0.152 0.000 0.726 258 A CB 0.741 19.875 19.000 0.225 0.000 1.229 258 A HN 0.436 nan 8.150 nan 0.000 0.431 259 I N 2.930 123.600 120.570 0.166 0.000 2.355 259 I HA 0.323 4.494 4.170 0.001 0.000 0.288 259 I C -0.753 175.517 176.117 0.254 0.000 0.999 259 I CA -0.785 60.632 61.300 0.195 0.000 1.163 259 I CB 1.812 39.823 38.000 0.018 0.000 1.316 259 I HN 0.300 nan 8.210 nan 0.000 0.454 260 V N 6.995 127.046 119.914 0.229 0.000 2.311 260 V HA 0.334 4.455 4.120 0.001 0.000 0.275 260 V C 0.486 176.645 176.094 0.108 0.000 1.022 260 V CA -0.583 61.768 62.300 0.086 0.000 0.830 260 V CB 1.069 32.660 31.823 -0.388 0.000 1.012 260 V HN 0.614 nan 8.190 nan 0.000 0.452 261 M N 2.237 121.925 119.600 0.147 0.000 2.227 261 M HA 0.319 4.800 4.480 0.001 0.000 0.316 261 M C 1.241 177.565 176.300 0.040 0.000 1.144 261 M CA -0.239 55.133 55.300 0.120 0.000 1.121 261 M CB 0.537 33.218 32.600 0.134 0.000 1.440 261 M HN 0.503 nan 8.290 nan 0.000 0.473 262 D N 1.056 121.465 120.400 0.014 0.000 2.117 262 D HA -0.158 4.483 4.640 0.001 0.000 0.197 262 D C 0.799 177.118 176.300 0.031 0.000 0.987 262 D CA 1.441 55.446 54.000 0.008 0.000 0.829 262 D CB -0.181 40.618 40.800 -0.001 0.000 0.961 262 D HN 0.644 nan 8.370 nan 0.000 0.460 263 D N 0.591 121.016 120.400 0.042 0.000 2.396 263 D HA 0.096 4.737 4.640 0.001 0.000 0.255 263 D C -0.112 176.225 176.300 0.060 0.000 1.224 263 D CA -0.075 53.953 54.000 0.046 0.000 0.894 263 D CB -0.285 40.542 40.800 0.045 0.000 0.939 263 D HN -0.059 nan 8.370 nan 0.000 0.506 264 A N 0.534 123.395 122.820 0.068 0.000 2.292 264 A HA 0.190 4.511 4.320 0.001 0.000 0.319 264 A C 0.112 177.744 177.584 0.079 0.000 1.206 264 A CA -0.747 51.346 52.037 0.093 0.000 0.835 264 A CB 0.876 19.949 19.000 0.122 0.000 1.164 264 A HN 0.129 nan 8.150 nan 0.000 0.505 265 D N 2.877 123.328 120.400 0.085 0.000 2.419 265 D HA -0.079 4.562 4.640 0.001 0.000 0.281 265 D C 1.159 177.490 176.300 0.052 0.000 1.398 265 D CA -0.041 53.997 54.000 0.064 0.000 1.047 265 D CB 0.177 41.019 40.800 0.069 0.000 1.115 265 D HN 0.486 nan 8.370 nan 0.000 0.540 266 L N 5.127 126.382 121.223 0.052 0.000 2.021 266 L HA -0.256 4.084 4.340 0.001 0.000 0.215 266 L C 1.979 178.867 176.870 0.030 0.000 1.074 266 L CA 1.949 56.829 54.840 0.066 0.000 0.760 266 L CB -0.394 41.698 42.059 0.054 0.000 0.889 266 L HN 0.448 nan 8.230 nan 0.000 0.433 267 E N -0.664 119.541 120.200 0.007 0.000 2.038 267 E HA -0.282 4.069 4.350 0.001 0.000 0.195 267 E C 2.293 178.880 176.600 -0.022 0.000 1.000 267 E CA 1.570 57.960 56.400 -0.015 0.000 0.803 267 E CB -0.455 29.240 29.700 -0.009 0.000 0.750 267 E HN 0.590 nan 8.360 nan 0.000 0.448 268 L N 0.837 122.059 121.223 -0.003 0.000 1.970 268 L HA -0.242 4.098 4.340 0.001 0.000 0.212 268 L C 2.508 179.324 176.870 -0.090 0.000 1.071 268 L CA 1.612 56.452 54.840 -0.000 0.000 0.751 268 L CB -0.376 41.720 42.059 0.061 0.000 0.889 268 L HN 0.135 nan 8.230 nan 0.000 0.432 269 A N -0.567 122.141 122.820 -0.186 0.000 1.859 269 A HA -0.227 4.094 4.320 0.001 0.000 0.217 269 A C 2.175 179.629 177.584 -0.217 0.000 1.198 269 A CA 2.355 54.077 52.037 -0.525 0.000 0.629 269 A CB -1.214 17.553 19.000 -0.389 0.000 0.830 269 A HN 0.364 nan 8.150 nan 0.000 0.446 270 V N 0.379 120.269 119.914 -0.041 0.000 2.287 270 V HA -0.320 3.801 4.120 0.001 0.000 0.248 270 V C 2.560 178.585 176.094 -0.115 0.000 1.053 270 V CA 2.573 64.799 62.300 -0.124 0.000 1.027 270 V CB -0.790 30.904 31.823 -0.215 0.000 0.646 270 V HN 0.720 nan 8.190 nan 0.000 0.447 271 K N 0.343 120.689 120.400 -0.090 0.000 2.002 271 K HA -0.193 4.128 4.320 0.001 0.000 0.209 271 K C 2.254 178.827 176.600 -0.044 0.000 1.048 271 K CA 1.690 57.940 56.287 -0.061 0.000 0.930 271 K CB -0.437 32.040 32.500 -0.038 0.000 0.714 271 K HN 0.394 nan 8.250 nan 0.000 0.438 272 A N 1.428 124.222 122.820 -0.043 0.000 1.883 272 A HA -0.165 4.156 4.320 0.001 0.000 0.217 272 A C 2.139 179.731 177.584 0.013 0.000 1.186 272 A CA 1.779 53.823 52.037 0.012 0.000 0.624 272 A CB -0.693 18.368 19.000 0.101 0.000 0.822 272 A HN 0.403 nan 8.150 nan 0.000 0.444 273 I N -0.528 120.027 120.570 -0.024 0.000 2.286 273 I HA -0.199 3.972 4.170 0.001 0.000 0.248 273 I C 2.291 178.415 176.117 0.013 0.000 1.115 273 I CA 1.070 62.387 61.300 0.028 0.000 1.392 273 I CB -0.325 37.715 38.000 0.067 0.000 1.065 273 I HN 0.162 nan 8.210 nan 0.000 0.418 274 V N 0.672 120.574 119.914 -0.021 0.000 2.323 274 V HA -0.244 3.877 4.120 0.001 0.000 0.244 274 V C 1.947 178.034 176.094 -0.011 0.000 1.041 274 V CA 1.857 64.144 62.300 -0.023 0.000 1.025 274 V CB -0.645 31.146 31.823 -0.054 0.000 0.656 274 V HN 0.343 nan 8.190 nan 0.000 0.451 275 D N -0.266 120.123 120.400 -0.018 0.000 2.221 275 D HA -0.114 4.526 4.640 0.001 0.000 0.204 275 D C 2.109 178.396 176.300 -0.021 0.000 0.982 275 D CA 1.480 55.467 54.000 -0.021 0.000 0.857 275 D CB -0.082 40.705 40.800 -0.022 0.000 0.934 275 D HN 0.423 nan 8.370 nan 0.000 0.475 276 S N -0.752 114.943 115.700 -0.008 0.000 2.327 276 S HA 0.051 4.522 4.470 0.001 0.000 0.157 276 S C 1.520 176.131 174.600 0.019 0.000 1.227 276 S CA 0.812 59.009 58.200 -0.005 0.000 1.907 276 S CB 0.105 63.306 63.200 0.001 0.000 0.563 276 S HN 0.002 nan 8.310 nan 0.000 0.377 277 R N 0.542 121.063 120.500 0.035 0.000 2.379 277 R HA -0.227 4.114 4.340 0.001 0.000 0.183 277 R C 0.738 177.076 176.300 0.063 0.000 0.862 277 R CA 2.888 59.020 56.100 0.054 0.000 0.196 277 R CB -1.913 28.420 30.300 0.055 0.000 0.592 277 R HN 0.381 nan 8.270 nan 0.000 0.225 278 V N 3.138 123.086 119.914 0.056 0.000 2.743 278 V HA 0.145 4.265 4.120 0.001 0.000 0.356 278 V C 0.852 176.970 176.094 0.040 0.000 1.594 278 V CA 0.640 62.976 62.300 0.060 0.000 1.652 278 V CB -1.260 30.604 31.823 0.068 0.000 1.389 278 V HN 0.450 nan 8.190 nan 0.000 0.514 279 I N -1.753 118.844 120.570 0.044 0.000 3.184 279 I HA 0.529 4.700 4.170 0.001 0.000 0.311 279 I C 0.509 176.630 176.117 0.006 0.000 1.243 279 I CA 0.264 61.583 61.300 0.032 0.000 1.393 279 I CB -0.599 37.435 38.000 0.056 0.000 1.471 279 I HN 0.360 nan 8.210 nan 0.000 0.540 280 N N 0.371 119.068 118.700 -0.005 0.000 2.640 280 N HA -0.111 4.630 4.740 0.001 0.000 0.385 280 N C 0.752 176.271 175.510 0.015 0.000 0.628 280 N CA 0.668 53.700 53.050 -0.031 0.000 2.003 280 N CB -0.349 38.110 38.487 -0.048 0.000 1.024 280 N HN 0.180 nan 8.380 nan 0.000 1.991 281 S N -1.247 114.473 115.700 0.034 0.000 2.649 281 S HA 0.572 5.043 4.470 0.001 0.000 0.246 281 S C 0.751 175.394 174.600 0.073 0.000 1.057 281 S CA 1.306 59.531 58.200 0.041 0.000 1.051 281 S CB 0.498 63.688 63.200 -0.017 0.000 1.018 281 S HN 0.882 nan 8.310 nan 0.000 0.569 282 G N 0.987 109.839 108.800 0.086 0.000 4.020 282 G HA2 -0.183 3.778 3.960 0.001 0.000 0.195 282 G HA3 -0.183 3.778 3.960 0.001 0.000 0.195 282 G C 0.564 175.544 174.900 0.133 0.000 1.819 282 G CA 0.361 45.525 45.100 0.105 0.000 1.109 282 G HN 0.361 nan 8.290 nan 0.000 0.385 283 Q N 0.364 120.268 119.800 0.172 0.000 2.303 283 Q HA -0.297 4.043 4.340 0.001 0.000 0.221 283 Q C 1.219 177.348 176.000 0.215 0.000 1.081 283 Q CA 2.068 58.032 55.803 0.268 0.000 0.985 283 Q CB -1.127 27.875 28.738 0.440 0.000 1.093 283 Q HN 0.716 nan 8.270 nan 0.000 0.464 284 V N 2.001 122.019 119.914 0.174 0.000 2.742 284 V HA -0.220 3.901 4.120 0.001 0.000 0.302 284 V C 1.801 177.982 176.094 0.144 0.000 1.133 284 V CA 0.717 63.133 62.300 0.193 0.000 1.284 284 V CB 0.151 32.133 31.823 0.265 0.000 0.850 284 V HN 0.658 nan 8.190 nan 0.000 0.494 285 C N 2.751 122.125 119.300 0.124 0.000 2.464 285 C HA -0.027 4.433 4.460 0.001 0.000 0.278 285 C C 1.841 176.875 174.990 0.074 0.000 1.375 285 C CA 0.370 59.433 59.018 0.074 0.000 1.761 285 C CB -1.320 26.446 27.740 0.044 0.000 1.944 285 C HN 0.955 nan 8.230 nan 0.000 0.509 286 N N 0.550 119.312 118.700 0.103 0.000 2.449 286 N HA 0.016 4.757 4.740 0.001 0.000 0.191 286 N C -0.330 175.198 175.510 0.030 0.000 1.161 286 N CA 0.236 53.337 53.050 0.085 0.000 0.863 286 N CB -0.399 38.158 38.487 0.116 0.000 0.980 286 N HN 0.531 nan 8.380 nan 0.000 0.458 287 C N 1.827 121.154 119.300 0.045 0.000 2.255 287 C HA 0.574 5.035 4.460 0.001 0.000 0.326 287 C C 1.137 176.148 174.990 0.035 0.000 1.258 287 C CA -1.502 57.536 59.018 0.033 0.000 1.676 287 C CB -0.286 27.488 27.740 0.057 0.000 2.314 287 C HN 0.464 nan 8.230 nan 0.000 0.509 288 A N 3.414 126.253 122.820 0.032 0.000 2.291 288 A HA -0.141 4.179 4.320 0.001 0.000 0.313 288 A C 1.265 178.875 177.584 0.043 0.000 1.108 288 A CA 0.894 52.959 52.037 0.047 0.000 1.273 288 A CB -0.281 18.772 19.000 0.087 0.000 0.773 288 A HN 0.933 nan 8.150 nan 0.000 0.415 289 E N 0.830 121.047 120.200 0.028 0.000 2.478 289 E HA -0.003 4.348 4.350 0.001 0.000 0.194 289 E C 0.259 176.855 176.600 -0.005 0.000 1.045 289 E CA 0.388 56.799 56.400 0.018 0.000 0.868 289 E CB 0.228 29.932 29.700 0.006 0.000 0.885 289 E HN 0.708 nan 8.360 nan 0.000 0.505 290 R N 0.968 121.461 120.500 -0.012 0.000 2.507 290 R HA 0.296 4.637 4.340 0.001 0.000 0.298 290 R C -1.232 174.972 176.300 -0.160 0.000 1.087 290 R CA -0.339 55.698 56.100 -0.106 0.000 0.917 290 R CB 2.072 32.350 30.300 -0.037 0.000 1.173 290 R HN -0.152 nan 8.270 nan 0.000 0.472 291 V N 4.385 124.188 119.914 -0.186 0.000 2.348 291 V HA 0.276 4.397 4.120 0.001 0.000 0.270 291 V C -0.609 175.378 176.094 -0.178 0.000 1.037 291 V CA -0.703 61.550 62.300 -0.078 0.000 0.872 291 V CB 0.287 32.162 31.823 0.087 0.000 1.002 291 V HN 0.543 nan 8.190 nan 0.000 0.464 292 Y N 3.654 124.038 120.300 0.140 0.000 2.367 292 Y HA 0.598 5.148 4.550 0.001 0.000 0.342 292 Y C 0.181 176.304 175.900 0.373 0.000 0.979 292 Y CA -0.660 57.602 58.100 0.270 0.000 1.161 292 Y CB 1.537 40.097 38.460 0.167 0.000 1.155 292 Y HN 0.411 nan 8.280 nan 0.000 0.503 293 V N 3.930 124.082 119.914 0.396 0.000 2.604 293 V HA 0.345 4.465 4.120 0.001 0.000 0.305 293 V C -0.553 175.317 176.094 -0.374 0.000 1.043 293 V CA -1.307 61.024 62.300 0.052 0.000 0.888 293 V CB 1.684 33.528 31.823 0.035 0.000 0.995 293 V HN 0.721 nan 8.190 nan 0.000 0.429 294 Q N 3.883 123.191 119.800 -0.819 0.000 2.259 294 Q HA 0.440 4.780 4.340 0.001 0.000 0.249 294 Q C 0.468 176.276 176.000 -0.320 0.000 0.914 294 Q CA -0.873 54.356 55.803 -0.957 0.000 0.904 294 Q CB 1.381 29.499 28.738 -1.034 0.000 1.213 294 Q HN 0.488 nan 8.270 nan 0.000 0.428 295 K N 2.526 122.773 120.400 -0.254 0.000 2.056 295 K HA -0.291 4.029 4.320 0.001 0.000 0.225 295 K C 1.912 178.503 176.600 -0.014 0.000 1.053 295 K CA 2.198 58.423 56.287 -0.103 0.000 0.966 295 K CB -1.633 30.803 32.500 -0.105 0.000 0.735 295 K HN 0.991 nan 8.250 nan 0.000 0.455 296 G N 0.934 109.707 108.800 -0.045 0.000 2.562 296 G HA2 -0.259 3.701 3.960 0.001 0.000 0.223 296 G HA3 -0.259 3.701 3.960 0.001 0.000 0.223 296 G C 1.500 176.409 174.900 0.016 0.000 1.102 296 G CA 1.204 46.297 45.100 -0.012 0.000 0.742 296 G HN 0.459 nan 8.290 nan 0.000 0.587 297 I N -2.537 118.046 120.570 0.021 0.000 4.439 297 I HA 0.273 4.444 4.170 0.001 0.000 0.331 297 I C 1.878 178.059 176.117 0.107 0.000 1.345 297 I CA -0.454 60.876 61.300 0.050 0.000 1.193 297 I CB 0.289 38.303 38.000 0.023 0.000 1.221 297 I HN 0.146 nan 8.210 nan 0.000 0.429 298 Y N 2.275 122.565 120.300 -0.015 0.000 2.030 298 Y HA -0.430 4.121 4.550 0.001 0.000 0.272 298 Y C 2.038 177.991 175.900 0.089 0.000 1.185 298 Y CA 2.496 60.618 58.100 0.037 0.000 1.120 298 Y CB -0.304 38.148 38.460 -0.014 0.000 0.955 298 Y HN 0.295 nan 8.280 nan 0.000 0.495 299 D N -0.171 120.317 120.400 0.147 0.000 2.137 299 D HA -0.274 4.367 4.640 0.001 0.000 0.189 299 D C 2.080 178.360 176.300 -0.034 0.000 0.998 299 D CA 2.286 56.314 54.000 0.047 0.000 0.839 299 D CB -0.641 40.207 40.800 0.080 0.000 0.962 299 D HN 0.613 nan 8.370 nan 0.000 0.446 300 Q N -0.255 119.547 119.800 0.004 0.000 2.061 300 Q HA -0.163 4.178 4.340 0.001 0.000 0.204 300 Q C 2.278 178.252 176.000 -0.043 0.000 0.984 300 Q CA 0.999 56.793 55.803 -0.016 0.000 0.846 300 Q CB -0.452 28.294 28.738 0.013 0.000 0.902 300 Q HN 0.266 nan 8.270 nan 0.000 0.421 301 F N 1.772 121.641 119.950 -0.135 0.000 2.091 301 F HA -0.261 4.266 4.527 0.001 0.000 0.299 301 F C 2.068 177.744 175.800 -0.207 0.000 1.103 301 F CA 1.387 59.292 58.000 -0.157 0.000 1.228 301 F CB -0.269 38.643 39.000 -0.146 0.000 0.984 301 F HN -0.187 nan 8.300 nan 0.000 0.477 302 V N 1.081 120.809 119.914 -0.310 0.000 2.343 302 V HA -0.350 3.771 4.120 0.001 0.000 0.247 302 V C 2.248 178.140 176.094 -0.337 0.000 1.051 302 V CA 2.131 64.193 62.300 -0.396 0.000 1.036 302 V CB -0.961 30.607 31.823 -0.425 0.000 0.654 302 V HN 0.396 nan 8.190 nan 0.000 0.451 303 N N 0.613 119.163 118.700 -0.251 0.000 2.039 303 N HA -0.157 4.584 4.740 0.001 0.000 0.193 303 N C 1.982 177.348 175.510 -0.240 0.000 1.044 303 N CA 1.556 54.485 53.050 -0.202 0.000 0.847 303 N CB -0.427 37.977 38.487 -0.137 0.000 1.030 303 N HN 0.475 nan 8.380 nan 0.000 0.422 304 R N 0.497 120.843 120.500 -0.257 0.000 2.091 304 R HA -0.105 4.236 4.340 0.001 0.000 0.238 304 R C 2.234 178.336 176.300 -0.329 0.000 1.136 304 R CA 0.829 56.774 56.100 -0.259 0.000 0.959 304 R CB -0.630 29.529 30.300 -0.234 0.000 0.856 304 R HN 0.152 nan 8.270 nan 0.000 0.437 305 L N 0.543 121.474 121.223 -0.486 0.000 2.017 305 L HA -0.059 4.281 4.340 0.001 0.000 0.208 305 L C 2.246 178.914 176.870 -0.336 0.000 1.073 305 L CA 2.204 56.751 54.840 -0.487 0.000 0.745 305 L CB -1.052 40.563 42.059 -0.740 0.000 0.894 305 L HN 0.196 nan 8.230 nan 0.000 0.432 306 G N -1.296 107.313 108.800 -0.318 0.000 2.446 306 G HA2 -0.283 3.678 3.960 0.001 0.000 0.217 306 G HA3 -0.283 3.678 3.960 0.001 0.000 0.217 306 G C 1.468 176.140 174.900 -0.380 0.000 1.168 306 G CA 0.901 45.818 45.100 -0.305 0.000 0.771 306 G HN 0.527 nan 8.290 nan 0.000 0.551 307 E N 0.399 120.417 120.200 -0.303 0.000 2.051 307 E HA -0.047 4.304 4.350 0.001 0.000 0.192 307 E C 2.964 179.408 176.600 -0.260 0.000 0.991 307 E CA 0.786 57.022 56.400 -0.274 0.000 0.799 307 E CB -0.215 29.364 29.700 -0.201 0.000 0.748 307 E HN 0.398 nan 8.360 nan 0.000 0.449 308 A N 0.925 123.607 122.820 -0.230 0.000 1.940 308 A HA -0.206 4.114 4.320 0.001 0.000 0.219 308 A C 2.121 179.605 177.584 -0.166 0.000 1.176 308 A CA 1.465 53.394 52.037 -0.180 0.000 0.631 308 A CB -0.457 18.441 19.000 -0.170 0.000 0.814 308 A HN 0.174 nan 8.150 nan 0.000 0.446 309 M N -1.105 118.368 119.600 -0.211 0.000 2.319 309 M HA -0.166 4.315 4.480 0.001 0.000 0.265 309 M C 2.326 178.528 176.300 -0.163 0.000 1.068 309 M CA 1.141 56.361 55.300 -0.133 0.000 1.118 309 M CB -0.316 32.239 32.600 -0.074 0.000 1.395 309 M HN 0.505 nan 8.290 nan 0.000 0.435 310 Q N 0.150 119.675 119.800 -0.458 0.000 2.084 310 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 310 Q C 2.215 178.173 176.000 -0.070 0.000 0.978 310 Q CA 1.610 57.196 55.803 -0.362 0.000 0.844 310 Q CB -0.255 28.217 28.738 -0.443 0.000 0.898 310 Q HN 0.585 nan 8.270 nan 0.000 0.426 311 A N 0.675 123.436 122.820 -0.097 0.000 2.070 311 A HA -0.057 4.264 4.320 0.001 0.000 0.220 311 A C 1.168 178.739 177.584 -0.022 0.000 1.159 311 A CA 0.491 52.493 52.037 -0.059 0.000 0.656 311 A CB -0.219 18.739 19.000 -0.070 0.000 0.800 311 A HN 0.152 nan 8.150 nan 0.000 0.453 312 V N 2.114 122.039 119.914 0.018 0.000 2.393 312 V HA 0.014 4.134 4.120 0.001 0.000 0.257 312 V C 0.294 176.429 176.094 0.068 0.000 1.040 312 V CA 0.272 62.606 62.300 0.057 0.000 1.097 312 V CB -0.439 31.446 31.823 0.104 0.000 1.101 312 V HN 0.550 nan 8.190 nan 0.000 0.479 313 Q N 3.722 123.517 119.800 -0.008 0.000 2.227 313 Q HA 0.611 4.952 4.340 0.001 0.000 0.245 313 Q C -0.593 175.389 176.000 -0.030 0.000 0.926 313 Q CA -0.491 55.235 55.803 -0.128 0.000 0.895 313 Q CB 2.008 30.633 28.738 -0.188 0.000 1.230 313 Q HN 0.742 nan 8.270 nan 0.000 0.450 314 F N -1.324 118.639 119.950 0.022 0.000 2.538 314 F HA 0.951 5.479 4.527 0.001 0.000 0.325 314 F C 0.183 175.983 175.800 0.001 0.000 1.066 314 F CA -0.791 57.251 58.000 0.069 0.000 0.946 314 F CB 1.456 40.543 39.000 0.146 0.000 1.199 314 F HN 0.606 nan 8.300 nan 0.000 0.473 315 G N 0.786 109.818 108.800 0.387 0.000 2.315 315 G HA2 0.110 4.071 3.960 0.001 0.000 0.294 315 G HA3 0.110 4.071 3.960 0.001 0.000 0.294 315 G C -2.041 173.050 174.900 0.318 0.000 1.300 315 G CA -1.293 43.920 45.100 0.190 0.000 0.843 315 G HN 0.848 nan 8.290 nan 0.000 0.527 316 N N 0.978 119.798 118.700 0.201 0.000 2.429 316 N HA 0.167 4.908 4.740 0.001 0.000 0.271 316 N C -1.155 174.418 175.510 0.104 0.000 1.272 316 N CA -1.125 52.028 53.050 0.172 0.000 0.921 316 N CB 1.535 40.084 38.487 0.103 0.000 1.128 316 N HN 0.040 nan 8.380 nan 0.000 0.481 317 P HA -0.130 nan 4.420 nan 0.000 0.216 317 P C 0.706 178.027 177.300 0.036 0.000 1.150 317 P CA 1.481 64.615 63.100 0.057 0.000 0.843 317 P CB 0.194 31.919 31.700 0.042 0.000 0.787 318 A N -0.322 122.519 122.820 0.034 0.000 2.014 318 A HA -0.149 4.171 4.320 0.001 0.000 0.218 318 A C 1.840 179.434 177.584 0.017 0.000 1.163 318 A CA 1.314 53.364 52.037 0.022 0.000 0.652 318 A CB -0.784 18.229 19.000 0.021 0.000 0.808 318 A HN 0.210 nan 8.150 nan 0.000 0.449 319 E N -0.747 119.465 120.200 0.020 0.000 2.481 319 E HA 0.102 4.453 4.350 0.001 0.000 0.198 319 E C -0.504 176.098 176.600 0.004 0.000 1.027 319 E CA -0.083 56.322 56.400 0.009 0.000 0.900 319 E CB 0.412 30.116 29.700 0.007 0.000 0.993 319 E HN 0.281 nan 8.360 nan 0.000 0.482 320 R N 1.805 122.312 120.500 0.011 0.000 2.569 320 R HA 0.133 4.474 4.340 0.001 0.000 0.293 320 R C -0.185 176.120 176.300 0.007 0.000 1.186 320 R CA -0.218 55.885 56.100 0.004 0.000 0.956 320 R CB 0.716 31.019 30.300 0.004 0.000 1.196 320 R HN 0.090 nan 8.270 nan 0.000 0.444 321 N N 1.347 120.047 118.700 -0.000 0.000 2.268 321 N HA -0.071 4.670 4.740 0.001 0.000 0.204 321 N C 0.053 175.560 175.510 -0.005 0.000 1.124 321 N CA 0.026 53.076 53.050 0.000 0.000 0.838 321 N CB 0.455 38.941 38.487 -0.001 0.000 0.994 321 N HN 0.529 nan 8.380 nan 0.000 0.489 322 D N 0.270 120.664 120.400 -0.010 0.000 2.431 322 D HA 0.062 4.702 4.640 0.001 0.000 0.213 322 D C 0.832 177.121 176.300 -0.019 0.000 1.130 322 D CA -0.432 53.558 54.000 -0.017 0.000 0.834 322 D CB 0.206 40.990 40.800 -0.026 0.000 0.985 322 D HN 0.458 nan 8.370 nan 0.000 0.504 323 I N -2.826 117.740 120.570 -0.006 0.000 2.664 323 I HA 0.656 4.827 4.170 0.001 0.000 0.308 323 I C 0.538 176.669 176.117 0.023 0.000 0.984 323 I CA -1.051 60.251 61.300 0.004 0.000 1.213 323 I CB 2.050 40.065 38.000 0.025 0.000 1.379 323 I HN -0.209 nan 8.210 nan 0.000 0.501 324 A N 5.389 128.232 122.820 0.039 0.000 2.431 324 A HA 0.482 4.803 4.320 0.001 0.000 0.239 324 A C 0.437 178.068 177.584 0.077 0.000 1.230 324 A CA -0.160 51.904 52.037 0.045 0.000 0.928 324 A CB 0.124 19.145 19.000 0.035 0.000 1.006 324 A HN 0.833 nan 8.150 nan 0.000 0.520 325 M N -0.356 119.316 119.600 0.119 0.000 2.294 325 M HA 0.517 4.998 4.480 0.001 0.000 0.280 325 M C -0.289 176.131 176.300 0.200 0.000 1.085 325 M CA -0.408 54.983 55.300 0.153 0.000 0.969 325 M CB 1.411 34.133 32.600 0.202 0.000 1.770 325 M HN 0.196 nan 8.290 nan 0.000 0.485 326 G N 3.698 112.571 108.800 0.121 0.000 2.531 326 G HA2 0.781 4.741 3.960 0.001 0.000 0.281 326 G HA3 0.781 4.741 3.960 0.001 0.000 0.281 326 G C -3.020 171.868 174.900 -0.019 0.000 1.382 326 G CA -0.977 44.187 45.100 0.107 0.000 1.045 326 G HN 0.473 nan 8.290 nan 0.000 0.533 327 P HA 0.326 nan 4.420 nan 0.000 0.282 327 P C -0.247 176.826 177.300 -0.378 0.000 1.287 327 P CA -0.527 62.139 63.100 -0.723 0.000 0.792 327 P CB 1.304 32.300 31.700 -1.172 0.000 1.163 328 L N 0.504 121.513 121.223 -0.355 0.000 2.439 328 L HA 0.151 4.492 4.340 0.001 0.000 0.261 328 L C 2.249 178.808 176.870 -0.517 0.000 1.153 328 L CA -0.556 54.056 54.840 -0.381 0.000 0.808 328 L CB 0.067 41.918 42.059 -0.347 0.000 1.126 328 L HN 0.271 nan 8.230 nan 0.000 0.460 329 I N 1.421 121.480 120.570 -0.851 0.000 2.423 329 I HA -0.229 3.942 4.170 0.001 0.000 0.254 329 I C 0.515 176.053 176.117 -0.964 0.000 1.151 329 I CA 1.307 61.988 61.300 -1.030 0.000 1.421 329 I CB -0.463 36.372 38.000 -1.940 0.000 1.079 329 I HN 0.973 nan 8.210 nan 0.000 0.431 330 N N -3.159 114.893 118.700 -1.079 0.000 3.501 330 N HA 0.340 5.081 4.740 0.001 0.000 0.235 330 N C 0.266 174.952 175.510 -1.373 0.000 1.442 330 N CA -0.151 52.078 53.050 -1.367 0.000 0.872 330 N CB 0.119 37.957 38.487 -1.082 0.000 1.414 330 N HN -0.169 nan 8.380 nan 0.000 0.485 331 A N 0.309 122.329 122.820 -1.332 0.000 1.873 331 A HA -0.019 4.301 4.320 0.001 0.000 0.218 331 A C 2.217 179.581 177.584 -0.368 0.000 1.193 331 A CA 3.276 54.955 52.037 -0.597 0.000 0.629 331 A CB -1.717 17.142 19.000 -0.236 0.000 0.826 331 A HN 1.123 nan 8.150 nan 0.000 0.447 332 A N -0.300 122.309 122.820 -0.351 0.000 1.892 332 A HA 0.020 4.341 4.320 0.001 0.000 0.218 332 A C 2.571 180.016 177.584 -0.231 0.000 1.188 332 A CA 2.839 54.740 52.037 -0.225 0.000 0.631 332 A CB -1.251 17.636 19.000 -0.189 0.000 0.822 332 A HN 1.290 nan 8.150 nan 0.000 0.447 333 A N -0.746 121.826 122.820 -0.414 0.000 1.883 333 A HA -0.075 4.245 4.320 0.001 0.000 0.217 333 A C 2.159 179.586 177.584 -0.261 0.000 1.186 333 A CA 1.893 53.664 52.037 -0.444 0.000 0.624 333 A CB -0.687 17.845 19.000 -0.780 0.000 0.822 333 A HN 0.774 nan 8.150 nan 0.000 0.444 334 L N 0.175 121.228 121.223 -0.283 0.000 2.017 334 L HA -0.172 4.169 4.340 0.001 0.000 0.208 334 L C 2.197 178.979 176.870 -0.147 0.000 1.073 334 L CA 2.481 57.212 54.840 -0.181 0.000 0.745 334 L CB -0.849 41.168 42.059 -0.071 0.000 0.894 334 L HN 0.550 nan 8.230 nan 0.000 0.432 335 E N -0.744 119.393 120.200 -0.106 0.000 2.031 335 E HA -0.242 4.109 4.350 0.001 0.000 0.193 335 E C 2.305 178.867 176.600 -0.063 0.000 0.994 335 E CA 1.352 57.712 56.400 -0.067 0.000 0.800 335 E CB -0.207 29.466 29.700 -0.045 0.000 0.752 335 E HN 0.457 nan 8.360 nan 0.000 0.447 336 R N 0.457 120.941 120.500 -0.028 0.000 2.103 336 R HA -0.155 4.186 4.340 0.001 0.000 0.242 336 R C 2.447 178.721 176.300 -0.042 0.000 1.142 336 R CA 1.308 57.416 56.100 0.013 0.000 0.960 336 R CB -0.439 29.944 30.300 0.137 0.000 0.858 336 R HN 0.090 nan 8.270 nan 0.000 0.439 337 V N 1.306 121.158 119.914 -0.103 0.000 2.343 337 V HA -0.251 3.869 4.120 0.001 0.000 0.247 337 V C 1.993 177.873 176.094 -0.355 0.000 1.051 337 V CA 1.894 64.038 62.300 -0.260 0.000 1.036 337 V CB -0.472 31.068 31.823 -0.471 0.000 0.654 337 V HN 0.391 nan 8.190 nan 0.000 0.451 338 E N -0.045 119.969 120.200 -0.311 0.000 2.017 338 E HA -0.263 4.087 4.350 0.001 0.000 0.193 338 E C 2.323 178.885 176.600 -0.064 0.000 0.997 338 E CA 1.464 57.766 56.400 -0.163 0.000 0.804 338 E CB -0.282 29.381 29.700 -0.061 0.000 0.757 338 E HN 0.656 nan 8.360 nan 0.000 0.448 339 Q N 1.110 120.881 119.800 -0.048 0.000 2.062 339 Q HA -0.243 4.097 4.340 0.001 0.000 0.209 339 Q C 2.173 178.162 176.000 -0.019 0.000 0.996 339 Q CA 1.801 57.592 55.803 -0.021 0.000 0.859 339 Q CB -0.253 28.477 28.738 -0.015 0.000 0.920 339 Q HN 0.166 nan 8.270 nan 0.000 0.415 340 K N 0.003 120.382 120.400 -0.035 0.000 2.103 340 K HA -0.142 4.178 4.320 0.001 0.000 0.207 340 K C 2.113 178.705 176.600 -0.014 0.000 1.048 340 K CA 1.443 57.713 56.287 -0.028 0.000 0.930 340 K CB -0.162 32.310 32.500 -0.048 0.000 0.716 340 K HN 0.025 nan 8.250 nan 0.000 0.444 341 V N 1.274 121.177 119.914 -0.019 0.000 2.270 341 V HA -0.250 3.871 4.120 0.001 0.000 0.245 341 V C 2.359 178.475 176.094 0.037 0.000 1.043 341 V CA 2.021 64.338 62.300 0.027 0.000 1.014 341 V CB -0.689 31.183 31.823 0.081 0.000 0.645 341 V HN 0.379 nan 8.190 nan 0.000 0.447 342 A N 0.255 123.094 122.820 0.032 0.000 1.865 342 A HA -0.277 4.044 4.320 0.001 0.000 0.217 342 A C 2.322 179.921 177.584 0.025 0.000 1.191 342 A CA 2.215 54.271 52.037 0.032 0.000 0.623 342 A CB -0.589 18.427 19.000 0.027 0.000 0.826 342 A HN 0.519 nan 8.150 nan 0.000 0.444 343 R N -0.425 120.086 120.500 0.018 0.000 2.105 343 R HA -0.106 4.235 4.340 0.001 0.000 0.239 343 R C 2.401 178.715 176.300 0.023 0.000 1.135 343 R CA 1.307 57.418 56.100 0.019 0.000 0.967 343 R CB -0.513 29.795 30.300 0.014 0.000 0.861 343 R HN 0.543 nan 8.270 nan 0.000 0.442 344 A N 0.559 123.393 122.820 0.023 0.000 1.873 344 A HA -0.100 4.220 4.320 0.001 0.000 0.215 344 A C 2.320 179.923 177.584 0.032 0.000 1.186 344 A CA 1.390 53.443 52.037 0.027 0.000 0.616 344 A CB -0.514 18.502 19.000 0.025 0.000 0.823 344 A HN 0.124 nan 8.150 nan 0.000 0.442 345 V N 0.682 120.616 119.914 0.034 0.000 2.568 345 V HA -0.271 3.850 4.120 0.001 0.000 0.253 345 V C 2.229 178.342 176.094 0.031 0.000 1.072 345 V CA 2.161 64.482 62.300 0.035 0.000 1.084 345 V CB -1.022 30.823 31.823 0.036 0.000 0.676 345 V HN 0.656 nan 8.190 nan 0.000 0.469 346 E N 0.145 120.362 120.200 0.028 0.000 2.204 346 E HA -0.190 4.160 4.350 0.001 0.000 0.194 346 E C 1.875 178.491 176.600 0.027 0.000 0.989 346 E CA 1.047 57.463 56.400 0.026 0.000 0.824 346 E CB -0.108 29.606 29.700 0.024 0.000 0.756 346 E HN 0.706 nan 8.360 nan 0.000 0.477 347 E N -0.462 119.755 120.200 0.030 0.000 2.489 347 E HA 0.049 4.399 4.350 0.001 0.000 0.193 347 E C 1.012 177.632 176.600 0.033 0.000 1.057 347 E CA 0.334 56.753 56.400 0.032 0.000 0.866 347 E CB 0.642 30.363 29.700 0.036 0.000 0.916 347 E HN 0.368 nan 8.360 nan 0.000 0.500 348 G N 0.814 109.634 108.800 0.033 0.000 2.318 348 G HA2 -0.177 3.784 3.960 0.001 0.000 0.172 348 G HA3 -0.177 3.784 3.960 0.001 0.000 0.172 348 G C 0.375 175.297 174.900 0.038 0.000 1.002 348 G CA -0.318 44.803 45.100 0.034 0.000 0.697 348 G HN 0.375 nan 8.290 nan 0.000 0.483 349 A N 0.698 123.542 122.820 0.039 0.000 2.548 349 A HA 0.542 4.863 4.320 0.001 0.000 0.247 349 A C 0.697 178.310 177.584 0.048 0.000 1.067 349 A CA 0.690 52.754 52.037 0.045 0.000 0.757 349 A CB 0.055 19.080 19.000 0.042 0.000 0.996 349 A HN 0.518 nan 8.150 nan 0.000 0.504 350 R N 3.268 123.802 120.500 0.057 0.000 2.233 350 R HA 0.358 4.699 4.340 0.001 0.000 0.334 350 R C -0.886 175.451 176.300 0.062 0.000 1.037 350 R CA -0.459 55.675 56.100 0.058 0.000 0.920 350 R CB 0.449 30.788 30.300 0.066 0.000 1.137 350 R HN 0.547 nan 8.270 nan 0.000 0.492 351 V N 5.207 125.153 119.914 0.054 0.000 2.415 351 V HA -0.066 4.055 4.120 0.001 0.000 0.252 351 V C 1.373 177.508 176.094 0.069 0.000 1.043 351 V CA 0.682 63.015 62.300 0.055 0.000 1.149 351 V CB 0.248 32.092 31.823 0.035 0.000 1.143 351 V HN 0.897 nan 8.190 nan 0.000 0.478 352 A N 4.714 127.589 122.820 0.092 0.000 2.123 352 A HA 0.303 4.624 4.320 0.001 0.000 0.214 352 A C 0.423 178.133 177.584 0.210 0.000 1.152 352 A CA 0.697 52.800 52.037 0.110 0.000 0.728 352 A CB 0.074 19.123 19.000 0.081 0.000 0.814 352 A HN 0.698 nan 8.150 nan 0.000 0.464 353 F N -2.475 117.468 119.950 -0.010 0.000 2.690 353 F HA 0.469 4.996 4.527 0.001 0.000 0.311 353 F C 0.553 176.338 175.800 -0.025 0.000 1.111 353 F CA -0.071 57.917 58.000 -0.020 0.000 1.003 353 F CB 0.317 39.301 39.000 -0.026 0.000 1.283 353 F HN 0.738 nan 8.300 nan 0.000 0.442 354 G N 2.871 111.139 108.800 -0.887 0.000 2.574 354 G HA2 0.295 4.256 3.960 0.001 0.000 0.282 354 G HA3 0.295 4.256 3.960 0.001 0.000 0.282 354 G C 1.001 175.690 174.900 -0.352 0.000 1.257 354 G CA 1.144 45.813 45.100 -0.718 0.000 0.956 354 G HN 2.517 nan 8.290 nan 0.000 0.560 355 G N -2.290 106.297 108.800 -0.356 0.000 2.218 355 G HA2 0.108 4.068 3.960 0.001 0.000 0.216 355 G HA3 0.108 4.068 3.960 0.001 0.000 0.216 355 G C 0.263 175.106 174.900 -0.096 0.000 0.994 355 G CA 1.171 46.196 45.100 -0.127 0.000 0.637 355 G HN 1.673 nan 8.290 nan 0.000 0.505 356 K N 1.467 121.712 120.400 -0.258 0.000 2.339 356 K HA 0.779 5.099 4.320 0.001 0.000 0.264 356 K C 0.451 176.933 176.600 -0.196 0.000 0.986 356 K CA 0.205 56.410 56.287 -0.136 0.000 0.866 356 K CB 1.043 33.481 32.500 -0.103 0.000 1.103 356 K HN 0.865 nan 8.250 nan 0.000 0.441 357 A N 3.742 126.609 122.820 0.077 0.000 2.546 357 A HA 0.203 4.524 4.320 0.001 0.000 0.243 357 A C -0.236 177.353 177.584 0.009 0.000 1.063 357 A CA -0.349 51.780 52.037 0.152 0.000 0.757 357 A CB 0.048 19.223 19.000 0.291 0.000 0.991 357 A HN 0.555 nan 8.150 nan 0.000 0.503 358 V N 3.131 123.018 119.914 -0.045 0.000 2.521 358 V HA 0.097 4.218 4.120 0.001 0.000 0.286 358 V C 0.680 176.776 176.094 0.003 0.000 1.034 358 V CA 0.194 62.468 62.300 -0.044 0.000 1.045 358 V CB 0.888 32.649 31.823 -0.102 0.000 0.974 358 V HN 0.956 nan 8.190 nan 0.000 0.480 359 E N 3.300 123.499 120.200 -0.001 0.000 2.028 359 E HA 0.596 4.947 4.350 0.001 0.000 0.266 359 E C 0.125 176.718 176.600 -0.011 0.000 0.962 359 E CA 0.088 56.489 56.400 0.003 0.000 0.784 359 E CB 0.660 30.363 29.700 0.004 0.000 1.114 359 E HN 0.945 nan 8.360 nan 0.000 0.414 360 G N 2.530 111.319 108.800 -0.019 0.000 2.356 360 G HA2 0.056 4.017 3.960 0.001 0.000 0.294 360 G HA3 0.056 4.017 3.960 0.001 0.000 0.294 360 G C -1.255 173.611 174.900 -0.057 0.000 1.423 360 G CA -1.067 44.012 45.100 -0.035 0.000 0.806 360 G HN 0.175 nan 8.290 nan 0.000 0.527 361 K N 0.559 120.921 120.400 -0.063 0.000 2.438 361 K HA 0.365 4.686 4.320 0.001 0.000 0.270 361 K C 0.905 177.458 176.600 -0.079 0.000 1.095 361 K CA 1.780 58.014 56.287 -0.089 0.000 1.174 361 K CB -0.268 32.202 32.500 -0.051 0.000 0.830 361 K HN 2.142 nan 8.250 nan 0.000 0.487 362 G N 3.007 111.605 108.800 -0.336 0.000 2.655 362 G HA2 -0.217 3.744 3.960 0.001 0.000 0.680 362 G HA3 -0.217 3.744 3.960 0.001 0.000 0.680 362 G C -1.488 172.944 174.900 -0.781 0.000 1.302 362 G CA -0.881 43.913 45.100 -0.510 0.000 0.872 362 G HN 0.430 nan 8.290 nan 0.000 0.540 363 Y N 0.083 120.214 120.300 -0.281 0.000 2.805 363 Y HA 0.629 5.179 4.550 0.001 0.000 0.339 363 Y C -0.112 175.534 175.900 -0.422 0.000 1.012 363 Y CA -0.891 57.049 58.100 -0.266 0.000 1.262 363 Y CB 0.760 39.042 38.460 -0.297 0.000 1.100 363 Y HN 0.539 nan 8.280 nan 0.000 0.559 364 Y N 0.974 121.215 120.300 -0.098 0.000 2.446 364 Y HA 0.528 5.079 4.550 0.001 0.000 0.338 364 Y C -0.883 174.886 175.900 -0.219 0.000 1.055 364 Y CA -1.802 56.158 58.100 -0.234 0.000 1.101 364 Y CB 1.500 39.684 38.460 -0.459 0.000 1.221 364 Y HN 0.427 nan 8.280 nan 0.000 0.460 365 Y N 4.759 124.889 120.300 -0.284 0.000 2.322 365 Y HA 0.401 4.951 4.550 0.001 0.000 0.324 365 Y C -2.624 173.095 175.900 -0.302 0.000 1.027 365 Y CA -3.180 54.765 58.100 -0.258 0.000 1.179 365 Y CB 1.606 39.985 38.460 -0.135 0.000 1.136 365 Y HN 0.390 nan 8.280 nan 0.000 0.449 366 P HA 0.034 nan 4.420 nan 0.000 0.265 366 P C -2.746 174.410 177.300 -0.240 0.000 1.187 366 P CA -0.968 61.907 63.100 -0.374 0.000 0.766 366 P CB 0.376 31.841 31.700 -0.392 0.000 0.820 367 P HA 0.042 nan 4.420 nan 0.000 0.258 367 P C -0.303 177.006 177.300 0.015 0.000 1.187 367 P CA 0.969 64.137 63.100 0.113 0.000 0.767 367 P CB -0.080 31.788 31.700 0.280 0.000 0.770 368 T N 4.431 119.021 114.554 0.060 0.000 2.859 368 T HA 0.513 4.863 4.350 0.001 0.000 0.281 368 T C -0.502 174.278 174.700 0.134 0.000 1.005 368 T CA -0.392 61.734 62.100 0.042 0.000 1.025 368 T CB 0.770 69.691 68.868 0.088 0.000 0.977 368 T HN 0.103 nan 8.240 nan 0.000 0.458 369 L N 4.134 125.447 121.223 0.149 0.000 2.342 369 L HA 0.560 4.901 4.340 0.001 0.000 0.276 369 L C -1.394 175.536 176.870 0.101 0.000 0.997 369 L CA -0.518 54.402 54.840 0.133 0.000 0.838 369 L CB 0.614 42.764 42.059 0.152 0.000 1.224 369 L HN 0.581 nan 8.230 nan 0.000 0.416 370 L N 6.257 127.530 121.223 0.084 0.000 2.272 370 L HA 0.503 4.844 4.340 0.001 0.000 0.289 370 L C -0.308 176.612 176.870 0.083 0.000 1.032 370 L CA -0.321 54.564 54.840 0.075 0.000 0.810 370 L CB 1.166 43.262 42.059 0.062 0.000 1.205 370 L HN 0.558 nan 8.230 nan 0.000 0.422 371 L N 1.994 123.273 121.223 0.095 0.000 2.347 371 L HA 0.459 4.799 4.340 0.001 0.000 0.268 371 L C 0.403 177.343 176.870 0.118 0.000 1.019 371 L CA -0.842 54.079 54.840 0.135 0.000 0.806 371 L CB 0.940 43.093 42.059 0.156 0.000 1.339 371 L HN 0.619 nan 8.230 nan 0.000 0.463 372 D N -0.003 120.479 120.400 0.138 0.000 2.882 372 D HA -0.146 4.494 4.640 0.001 0.000 0.229 372 D C -0.304 176.031 176.300 0.058 0.000 1.167 372 D CA 0.490 54.535 54.000 0.076 0.000 0.759 372 D CB -1.030 39.808 40.800 0.063 0.000 1.088 372 D HN 0.076 nan 8.370 nan 0.000 0.425 373 V N 0.374 120.326 119.914 0.063 0.000 2.775 373 V HA 0.222 4.343 4.120 0.001 0.000 0.299 373 V C 1.123 177.242 176.094 0.042 0.000 1.062 373 V CA 0.125 62.451 62.300 0.043 0.000 1.063 373 V CB 1.563 33.402 31.823 0.026 0.000 0.994 373 V HN 0.005 nan 8.190 nan 0.000 0.483 374 R N 2.115 122.642 120.500 0.045 0.000 2.637 374 R HA 0.318 4.659 4.340 0.001 0.000 0.291 374 R C 0.621 176.967 176.300 0.077 0.000 0.963 374 R CA -0.837 55.302 56.100 0.065 0.000 0.901 374 R CB 1.472 31.810 30.300 0.064 0.000 1.160 374 R HN 0.634 nan 8.270 nan 0.000 0.457 375 Q N 1.861 121.734 119.800 0.121 0.000 2.197 375 Q HA -0.266 4.075 4.340 0.001 0.000 0.211 375 Q C 0.809 176.923 176.000 0.189 0.000 0.993 375 Q CA 2.193 58.089 55.803 0.155 0.000 0.883 375 Q CB 0.075 28.931 28.738 0.197 0.000 0.916 375 Q HN 0.674 nan 8.270 nan 0.000 0.418 376 E N -0.524 119.778 120.200 0.170 0.000 2.077 376 E HA -0.127 4.224 4.350 0.001 0.000 0.193 376 E C 0.297 177.012 176.600 0.192 0.000 0.989 376 E CA 0.413 56.926 56.400 0.188 0.000 0.800 376 E CB -0.250 29.517 29.700 0.111 0.000 0.746 376 E HN 0.407 nan 8.360 nan 0.000 0.452 377 M N 1.605 121.272 119.600 0.111 0.000 2.235 377 M HA -0.092 4.388 4.480 0.001 0.000 0.336 377 M C 1.431 177.790 176.300 0.097 0.000 1.146 377 M CA 0.176 55.525 55.300 0.082 0.000 1.018 377 M CB 0.598 33.222 32.600 0.040 0.000 1.694 377 M HN 0.091 nan 8.290 nan 0.000 0.451 378 S N 2.162 117.924 115.700 0.104 0.000 2.469 378 S HA -0.125 4.346 4.470 0.001 0.000 0.238 378 S C 1.414 176.041 174.600 0.044 0.000 0.998 378 S CA 0.694 58.965 58.200 0.117 0.000 0.957 378 S CB -0.479 62.771 63.200 0.084 0.000 0.764 378 S HN 0.761 nan 8.310 nan 0.000 0.514 379 I N 1.109 121.679 120.570 0.001 0.000 2.756 379 I HA 0.056 4.227 4.170 0.001 0.000 0.262 379 I C 1.780 177.852 176.117 -0.074 0.000 1.225 379 I CA 1.012 62.297 61.300 -0.026 0.000 1.472 379 I CB -0.391 37.600 38.000 -0.016 0.000 1.094 379 I HN 0.219 nan 8.210 nan 0.000 0.454 380 M N -0.851 118.649 119.600 -0.167 0.000 2.476 380 M HA 0.084 4.564 4.480 0.001 0.000 0.262 380 M C 0.633 176.703 176.300 -0.383 0.000 1.111 380 M CA 0.909 56.024 55.300 -0.309 0.000 1.127 380 M CB -0.828 31.495 32.600 -0.461 0.000 1.376 380 M HN 0.228 nan 8.290 nan 0.000 0.465 381 H N 0.464 119.581 119.070 0.079 0.000 2.507 381 H HA 0.587 5.144 4.556 0.001 0.000 0.271 381 H C -0.605 174.780 175.328 0.096 0.000 1.224 381 H CA 0.031 56.140 56.048 0.103 0.000 1.000 381 H CB 0.248 30.057 29.762 0.078 0.000 1.663 381 H HN 0.350 nan 8.280 nan 0.000 0.548 382 E N 0.561 120.827 120.200 0.110 0.000 2.390 382 E HA 0.126 4.477 4.350 0.001 0.000 0.280 382 E C -0.774 175.768 176.600 -0.097 0.000 0.992 382 E CA -0.640 55.779 56.400 0.032 0.000 0.790 382 E CB 2.056 31.749 29.700 -0.012 0.000 1.248 382 E HN 0.236 nan 8.360 nan 0.000 0.447 383 E N 1.616 121.687 120.200 -0.215 0.000 1.774 383 E HA 0.024 4.375 4.350 0.001 0.000 0.265 383 E C 0.358 176.686 176.600 -0.454 0.000 1.207 383 E CA 0.106 56.291 56.400 -0.359 0.000 1.054 383 E CB 0.055 29.490 29.700 -0.441 0.000 1.074 383 E HN 0.442 nan 8.360 nan 0.000 0.433 384 T N 2.201 116.623 114.554 -0.220 0.000 2.718 384 T HA -0.307 4.044 4.350 0.001 0.000 0.266 384 T C 0.942 175.644 174.700 0.004 0.000 1.033 384 T CA 1.672 63.701 62.100 -0.118 0.000 1.151 384 T CB -0.386 68.465 68.868 -0.030 0.000 0.853 384 T HN 0.656 nan 8.240 nan 0.000 0.466 385 F N -0.508 119.444 119.950 0.003 0.000 2.540 385 F HA -0.304 4.224 4.527 0.001 0.000 0.731 385 F C 1.468 177.277 175.800 0.016 0.000 0.485 385 F CA 0.440 58.457 58.000 0.028 0.000 0.739 385 F CB -1.808 37.185 39.000 -0.011 0.000 1.605 385 F HN 0.457 nan 8.300 nan 0.000 0.273 386 G N 1.428 110.343 108.800 0.192 0.000 2.750 386 G HA2 0.269 4.230 3.960 0.001 0.000 0.250 386 G HA3 0.269 4.230 3.960 0.001 0.000 0.250 386 G C -2.305 172.668 174.900 0.122 0.000 1.230 386 G CA 0.094 45.243 45.100 0.082 0.000 0.883 386 G HN 0.278 nan 8.290 nan 0.000 0.573 387 P HA 0.156 nan 4.420 nan 0.000 0.225 387 P C -0.425 176.971 177.300 0.160 0.000 1.768 387 P CA -0.083 63.106 63.100 0.148 0.000 0.943 387 P CB 0.024 31.813 31.700 0.148 0.000 1.936 388 V N 2.043 122.039 119.914 0.136 0.000 2.472 388 V HA 0.307 4.427 4.120 0.001 0.000 0.290 388 V C 0.400 176.546 176.094 0.087 0.000 1.037 388 V CA -0.610 61.765 62.300 0.124 0.000 0.908 388 V CB 1.964 33.850 31.823 0.105 0.000 0.985 388 V HN 0.097 nan 8.190 nan 0.000 0.454 389 L N 7.530 128.803 121.223 0.084 0.000 2.401 389 L HA 0.477 4.817 4.340 0.001 0.000 0.263 389 L C -2.343 174.557 176.870 0.050 0.000 1.004 389 L CA -1.175 53.703 54.840 0.064 0.000 0.881 389 L CB 2.210 44.312 42.059 0.072 0.000 1.219 389 L HN 0.467 nan 8.230 nan 0.000 0.441 390 P HA 0.186 nan 4.420 nan 0.000 0.280 390 P C -0.903 176.394 177.300 -0.005 0.000 1.244 390 P CA -0.238 62.866 63.100 0.007 0.000 0.784 390 P CB 1.883 33.566 31.700 -0.029 0.000 0.913 391 V N 4.689 124.630 119.914 0.046 0.000 2.326 391 V HA 0.167 4.288 4.120 0.001 0.000 0.281 391 V C 0.333 176.507 176.094 0.134 0.000 1.015 391 V CA -0.699 61.659 62.300 0.096 0.000 0.823 391 V CB 1.721 33.654 31.823 0.183 0.000 1.009 391 V HN 0.278 nan 8.190 nan 0.000 0.436 392 V N 4.480 124.408 119.914 0.023 0.000 2.394 392 V HA 0.679 4.800 4.120 0.001 0.000 0.282 392 V C 0.778 176.985 176.094 0.189 0.000 1.031 392 V CA -0.428 61.914 62.300 0.070 0.000 0.881 392 V CB 1.570 33.395 31.823 0.003 0.000 0.982 392 V HN 0.926 nan 8.190 nan 0.000 0.451 393 A N 5.732 128.590 122.820 0.064 0.000 2.351 393 A HA 0.833 5.154 4.320 0.001 0.000 0.257 393 A C -0.590 177.083 177.584 0.149 0.000 1.087 393 A CA -0.110 51.896 52.037 -0.051 0.000 0.798 393 A CB 0.279 18.984 19.000 -0.492 0.000 1.033 393 A HN 1.102 nan 8.150 nan 0.000 0.488 394 F N -0.893 119.078 119.950 0.036 0.000 2.631 394 F HA 0.565 5.093 4.527 0.001 0.000 0.308 394 F C -0.162 175.650 175.800 0.020 0.000 1.097 394 F CA -1.146 56.882 58.000 0.047 0.000 0.952 394 F CB 1.023 40.079 39.000 0.094 0.000 1.307 394 F HN 0.443 nan 8.300 nan 0.000 0.450 395 D N 0.600 121.150 120.400 0.250 0.000 2.202 395 D HA 0.077 4.718 4.640 0.001 0.000 0.214 395 D C 0.456 176.890 176.300 0.224 0.000 0.967 395 D CA 1.859 55.929 54.000 0.115 0.000 0.871 395 D CB 0.407 41.258 40.800 0.085 0.000 1.020 395 D HN 0.705 nan 8.370 nan 0.000 0.474 396 T N -1.328 113.454 114.554 0.380 0.000 2.887 396 T HA 0.286 4.637 4.350 0.001 0.000 0.292 396 T C 0.946 175.796 174.700 0.249 0.000 1.087 396 T CA -0.777 61.506 62.100 0.305 0.000 1.009 396 T CB 1.991 70.941 68.868 0.137 0.000 1.203 396 T HN -0.207 nan 8.240 nan 0.000 0.518 397 L N 1.012 122.329 121.223 0.156 0.000 1.997 397 L HA -0.096 4.245 4.340 0.001 0.000 0.216 397 L C 2.413 179.220 176.870 -0.105 0.000 1.074 397 L CA 2.122 56.959 54.840 -0.005 0.000 0.763 397 L CB -1.090 40.981 42.059 0.020 0.000 0.890 397 L HN 0.827 nan 8.230 nan 0.000 0.434 398 E N -0.121 120.053 120.200 -0.042 0.000 2.097 398 E HA -0.239 4.112 4.350 0.001 0.000 0.196 398 E C 1.789 178.329 176.600 -0.100 0.000 1.000 398 E CA 1.698 58.063 56.400 -0.057 0.000 0.804 398 E CB -0.370 29.319 29.700 -0.018 0.000 0.740 398 E HN 0.635 nan 8.360 nan 0.000 0.454 399 D N 0.107 120.455 120.400 -0.085 0.000 2.078 399 D HA -0.163 4.477 4.640 0.001 0.000 0.193 399 D C 1.860 177.971 176.300 -0.314 0.000 0.990 399 D CA 1.702 55.638 54.000 -0.108 0.000 0.827 399 D CB -0.618 40.200 40.800 0.029 0.000 0.975 399 D HN 0.239 nan 8.370 nan 0.000 0.451 400 A N 0.680 123.117 122.820 -0.639 0.000 1.892 400 A HA -0.207 4.114 4.320 0.001 0.000 0.218 400 A C 2.347 179.551 177.584 -0.633 0.000 1.188 400 A CA 1.414 52.843 52.037 -1.012 0.000 0.631 400 A CB -0.990 17.042 19.000 -1.613 0.000 0.822 400 A HN 0.232 nan 8.150 nan 0.000 0.447 401 I N -0.937 119.398 120.570 -0.392 0.000 2.226 401 I HA -0.222 3.949 4.170 0.001 0.000 0.245 401 I C 2.827 178.834 176.117 -0.184 0.000 1.100 401 I CA 1.550 62.710 61.300 -0.234 0.000 1.374 401 I CB -0.353 37.564 38.000 -0.139 0.000 1.057 401 I HN 0.404 nan 8.210 nan 0.000 0.413 402 S N 0.576 116.173 115.700 -0.172 0.000 2.368 402 S HA -0.171 4.300 4.470 0.001 0.000 0.225 402 S C 2.092 176.619 174.600 -0.121 0.000 1.030 402 S CA 1.461 59.594 58.200 -0.112 0.000 0.999 402 S CB -0.135 63.017 63.200 -0.080 0.000 0.844 402 S HN 0.292 nan 8.310 nan 0.000 0.459 403 M N 0.459 119.923 119.600 -0.227 0.000 2.254 403 M HA 0.045 4.526 4.480 0.001 0.000 0.265 403 M C 2.346 178.506 176.300 -0.234 0.000 1.066 403 M CA 1.126 56.295 55.300 -0.219 0.000 1.123 403 M CB -0.331 32.080 32.600 -0.317 0.000 1.388 403 M HN 0.455 nan 8.290 nan 0.000 0.425 404 A N 0.662 123.266 122.820 -0.360 0.000 1.897 404 A HA -0.101 4.220 4.320 0.001 0.000 0.215 404 A C 1.789 179.510 177.584 0.230 0.000 1.181 404 A CA 1.403 53.391 52.037 -0.081 0.000 0.620 404 A CB -0.581 18.338 19.000 -0.135 0.000 0.821 404 A HN 0.421 nan 8.150 nan 0.000 0.443 405 N N 0.470 119.224 118.700 0.091 0.000 2.512 405 N HA -0.081 4.660 4.740 0.001 0.000 0.183 405 N C -0.105 175.404 175.510 -0.000 0.000 1.073 405 N CA 0.773 53.822 53.050 -0.003 0.000 0.911 405 N CB -0.257 38.202 38.487 -0.047 0.000 0.964 405 N HN 0.474 nan 8.380 nan 0.000 0.447 406 D N 0.612 121.045 120.400 0.054 0.000 2.551 406 D HA 0.151 4.792 4.640 0.001 0.000 0.223 406 D C -0.829 175.574 176.300 0.172 0.000 1.144 406 D CA -0.015 54.037 54.000 0.087 0.000 1.025 406 D CB -0.152 40.711 40.800 0.105 0.000 1.085 406 D HN -0.075 nan 8.370 nan 0.000 0.506 407 S N 1.734 117.505 115.700 0.119 0.000 2.552 407 S HA 0.191 4.662 4.470 0.001 0.000 0.272 407 S C -0.122 174.497 174.600 0.032 0.000 1.150 407 S CA -0.790 57.514 58.200 0.173 0.000 0.849 407 S CB 1.188 64.558 63.200 0.282 0.000 1.113 407 S HN 0.072 nan 8.310 nan 0.000 0.458 408 D N 0.960 121.327 120.400 -0.056 0.000 2.363 408 D HA 0.173 4.814 4.640 0.001 0.000 0.220 408 D C -0.448 175.594 176.300 -0.430 0.000 0.994 408 D CA 1.020 54.840 54.000 -0.300 0.000 0.890 408 D CB -0.023 40.496 40.800 -0.468 0.000 0.906 408 D HN 0.499 nan 8.370 nan 0.000 0.530 409 Y N -0.808 119.523 120.300 0.052 0.000 2.387 409 Y HA 0.559 5.110 4.550 0.001 0.000 0.336 409 Y C 1.258 177.170 175.900 0.021 0.000 1.067 409 Y CA -0.893 57.243 58.100 0.061 0.000 1.114 409 Y CB 2.377 40.898 38.460 0.102 0.000 1.208 409 Y HN -0.213 nan 8.280 nan 0.000 0.458 410 G N 2.129 111.016 108.800 0.144 0.000 4.988 410 G HA2 0.231 4.192 3.960 0.001 0.000 0.227 410 G HA3 0.231 4.192 3.960 0.001 0.000 0.227 410 G C -0.167 174.784 174.900 0.085 0.000 0.955 410 G CA -0.105 44.932 45.100 -0.106 0.000 0.784 410 G HN 0.588 nan 8.290 nan 0.000 0.537 411 L N -0.001 121.366 121.223 0.239 0.000 2.121 411 L HA 0.517 4.858 4.340 0.001 0.000 0.200 411 L C 0.787 177.732 176.870 0.126 0.000 1.077 411 L CA 1.654 56.554 54.840 0.099 0.000 0.766 411 L CB 0.216 42.294 42.059 0.030 0.000 0.931 411 L HN 0.074 nan 8.230 nan 0.000 0.452 412 T N 0.016 114.670 114.554 0.167 0.000 2.876 412 T HA 0.653 5.004 4.350 0.001 0.000 0.289 412 T C -0.747 173.812 174.700 -0.234 0.000 1.014 412 T CA -0.249 61.895 62.100 0.073 0.000 0.986 412 T CB 1.660 70.606 68.868 0.129 0.000 1.021 412 T HN 0.429 nan 8.240 nan 0.000 0.458 413 S N 0.928 116.460 115.700 -0.280 0.000 2.618 413 S HA 0.918 5.389 4.470 0.001 0.000 0.277 413 S C -0.938 173.564 174.600 -0.163 0.000 1.138 413 S CA -0.814 57.074 58.200 -0.519 0.000 0.844 413 S CB 1.968 64.549 63.200 -1.031 0.000 1.127 413 S HN 1.029 nan 8.310 nan 0.000 0.474 414 S N 0.549 116.136 115.700 -0.187 0.000 2.537 414 S HA 0.758 5.229 4.470 0.001 0.000 0.270 414 S C -1.306 173.132 174.600 -0.269 0.000 1.142 414 S CA -0.823 57.274 58.200 -0.171 0.000 0.870 414 S CB 1.265 64.384 63.200 -0.136 0.000 1.112 414 S HN 1.257 nan 8.310 nan 0.000 0.466 415 I N 2.126 122.454 120.570 -0.403 0.000 2.569 415 I HA 0.566 4.737 4.170 0.001 0.000 0.290 415 I C -2.091 173.736 176.117 -0.483 0.000 1.088 415 I CA -1.025 60.081 61.300 -0.323 0.000 1.047 415 I CB 1.536 39.446 38.000 -0.151 0.000 1.237 415 I HN 0.868 nan 8.210 nan 0.000 0.421 416 Y N 5.964 126.283 120.300 0.031 0.000 2.478 416 Y HA 0.567 5.118 4.550 0.001 0.000 0.329 416 Y C 0.382 176.303 175.900 0.034 0.000 0.967 416 Y CA -0.371 57.750 58.100 0.035 0.000 1.255 416 Y CB 1.557 40.036 38.460 0.031 0.000 1.103 416 Y HN 0.491 nan 8.280 nan 0.000 0.497 417 T N 0.869 115.496 114.554 0.121 0.000 2.618 417 T HA 0.383 4.733 4.350 0.001 0.000 0.293 417 T C -0.026 174.718 174.700 0.073 0.000 1.093 417 T CA -0.324 61.832 62.100 0.092 0.000 1.061 417 T CB 1.719 70.626 68.868 0.064 0.000 1.498 417 T HN 0.649 nan 8.240 nan 0.000 0.494 418 Q N -0.017 119.817 119.800 0.057 0.000 2.040 418 Q HA 0.269 4.609 4.340 0.001 0.000 0.212 418 Q C -0.250 175.771 176.000 0.036 0.000 0.766 418 Q CA -0.333 55.498 55.803 0.047 0.000 0.967 418 Q CB 0.664 29.432 28.738 0.049 0.000 1.202 418 Q HN 0.459 nan 8.270 nan 0.000 0.446 419 N N 1.621 120.341 118.700 0.035 0.000 2.422 419 N HA 0.044 4.785 4.740 0.001 0.000 0.264 419 N C 0.741 176.264 175.510 0.022 0.000 1.063 419 N CA -0.005 53.062 53.050 0.029 0.000 0.959 419 N CB 1.498 40.004 38.487 0.031 0.000 1.087 419 N HN 0.117 nan 8.380 nan 0.000 0.483 420 L N 5.237 126.472 121.223 0.020 0.000 2.051 420 L HA -0.215 4.126 4.340 0.001 0.000 0.214 420 L C 1.651 178.529 176.870 0.014 0.000 1.076 420 L CA 1.784 56.633 54.840 0.016 0.000 0.758 420 L CB -0.543 41.525 42.059 0.015 0.000 0.890 420 L HN 0.614 nan 8.230 nan 0.000 0.433 421 N N -0.972 117.737 118.700 0.015 0.000 2.171 421 N HA -0.111 4.630 4.740 0.001 0.000 0.184 421 N C 1.896 177.413 175.510 0.012 0.000 1.021 421 N CA 1.574 54.632 53.050 0.014 0.000 0.854 421 N CB -0.393 38.103 38.487 0.015 0.000 0.994 421 N HN 0.270 nan 8.380 nan 0.000 0.426 422 V N 1.969 121.893 119.914 0.017 0.000 2.255 422 V HA -0.247 3.873 4.120 0.001 0.000 0.247 422 V C 2.493 178.590 176.094 0.005 0.000 1.051 422 V CA 1.969 64.279 62.300 0.017 0.000 1.018 422 V CB -1.029 30.812 31.823 0.030 0.000 0.641 422 V HN 0.286 nan 8.190 nan 0.000 0.445 423 A N -0.275 122.548 122.820 0.004 0.000 1.851 423 A HA -0.261 4.060 4.320 0.001 0.000 0.216 423 A C 2.195 179.773 177.584 -0.010 0.000 1.195 423 A CA 2.403 54.435 52.037 -0.008 0.000 0.622 423 A CB -0.582 18.416 19.000 -0.004 0.000 0.831 423 A HN 0.421 nan 8.150 nan 0.000 0.444 424 M N -0.609 118.990 119.600 -0.002 0.000 2.213 424 M HA -0.099 4.381 4.480 0.001 0.000 0.263 424 M C 1.986 178.286 176.300 -0.000 0.000 1.062 424 M CA 1.732 57.033 55.300 0.000 0.000 1.105 424 M CB -1.214 31.390 32.600 0.006 0.000 1.385 424 M HN 0.516 nan 8.290 nan 0.000 0.417 425 K N -0.067 120.333 120.400 -0.001 0.000 2.103 425 K HA 0.017 4.338 4.320 0.001 0.000 0.204 425 K C 2.026 178.618 176.600 -0.013 0.000 1.052 425 K CA 1.130 57.416 56.287 -0.003 0.000 0.945 425 K CB 0.045 32.545 32.500 -0.000 0.000 0.722 425 K HN 0.233 nan 8.250 nan 0.000 0.443 426 A N 1.221 124.028 122.820 -0.021 0.000 1.898 426 A HA -0.131 4.190 4.320 0.001 0.000 0.216 426 A C 2.030 179.594 177.584 -0.033 0.000 1.181 426 A CA 1.253 53.268 52.037 -0.038 0.000 0.620 426 A CB -0.552 18.418 19.000 -0.050 0.000 0.819 426 A HN 0.268 nan 8.150 nan 0.000 0.442 427 I N -0.609 119.945 120.570 -0.027 0.000 2.099 427 I HA -0.301 3.870 4.170 0.001 0.000 0.239 427 I C 2.565 178.680 176.117 -0.004 0.000 1.066 427 I CA 2.025 63.311 61.300 -0.022 0.000 1.324 427 I CB -0.285 37.706 38.000 -0.015 0.000 1.037 427 I HN 0.307 nan 8.210 nan 0.000 0.401 428 K N 0.580 120.984 120.400 0.008 0.000 2.280 428 K HA -0.142 4.179 4.320 0.001 0.000 0.202 428 K C 1.906 178.521 176.600 0.026 0.000 1.047 428 K CA 1.340 57.642 56.287 0.025 0.000 0.942 428 K CB -0.158 32.355 32.500 0.023 0.000 0.739 428 K HN 0.469 nan 8.250 nan 0.000 0.457 429 G N 0.377 109.180 108.800 0.005 0.000 2.510 429 G HA2 0.037 3.998 3.960 0.001 0.000 0.212 429 G HA3 0.037 3.998 3.960 0.001 0.000 0.212 429 G C 0.376 175.274 174.900 -0.004 0.000 1.151 429 G CA -0.280 44.820 45.100 -0.000 0.000 0.817 429 G HN 0.087 nan 8.290 nan 0.000 0.534 430 L N 1.321 122.540 121.223 -0.006 0.000 2.477 430 L HA 0.181 4.522 4.340 0.001 0.000 0.272 430 L C 0.168 176.968 176.870 -0.115 0.000 1.157 430 L CA -0.032 54.830 54.840 0.037 0.000 0.889 430 L CB 0.987 43.096 42.059 0.084 0.000 1.158 430 L HN 0.034 nan 8.230 nan 0.000 0.473 431 K N 4.809 125.039 120.400 -0.283 0.000 2.518 431 K HA 0.353 4.673 4.320 0.001 0.000 0.244 431 K C -1.122 174.559 176.600 -1.532 0.000 1.232 431 K CA -0.011 55.816 56.287 -0.767 0.000 1.189 431 K CB 0.017 32.393 32.500 -0.207 0.000 1.737 431 K HN 0.227 nan 8.250 nan 0.000 0.333 432 F N -1.813 117.365 119.950 -1.287 0.000 2.603 432 F HA 0.323 4.850 4.527 0.001 0.000 0.317 432 F C 1.540 176.634 175.800 -1.176 0.000 1.066 432 F CA -1.081 56.296 58.000 -1.039 0.000 0.941 432 F CB 1.506 40.234 39.000 -0.452 0.000 1.291 432 F HN 0.202 nan 8.300 nan 0.000 0.472 433 G N -0.191 108.305 108.800 -0.506 0.000 2.484 433 G HA2 0.065 4.026 3.960 0.001 0.000 0.218 433 G HA3 0.065 4.026 3.960 0.001 0.000 0.218 433 G C -0.092 174.782 174.900 -0.043 0.000 1.130 433 G CA 0.375 45.396 45.100 -0.132 0.000 0.784 433 G HN 0.568 nan 8.290 nan 0.000 0.543 434 E N -0.856 119.318 120.200 -0.044 0.000 2.314 434 E HA 0.525 4.876 4.350 0.001 0.000 0.272 434 E C -1.511 175.039 176.600 -0.083 0.000 0.884 434 E CA -0.563 55.807 56.400 -0.051 0.000 0.753 434 E CB 2.249 31.979 29.700 0.050 0.000 1.213 434 E HN -0.065 nan 8.360 nan 0.000 0.432 435 T N 1.954 116.391 114.554 -0.195 0.000 2.985 435 T HA 0.267 4.618 4.350 0.001 0.000 0.315 435 T C -1.346 173.207 174.700 -0.244 0.000 1.001 435 T CA -0.636 61.367 62.100 -0.161 0.000 1.016 435 T CB 0.010 68.800 68.868 -0.130 0.000 0.993 435 T HN 0.249 nan 8.240 nan 0.000 0.454 436 Y N 2.671 122.894 120.300 -0.128 0.000 2.336 436 Y HA 0.507 5.058 4.550 0.001 0.000 0.335 436 Y C 0.641 176.414 175.900 -0.211 0.000 1.046 436 Y CA -1.084 56.942 58.100 -0.124 0.000 1.198 436 Y CB 0.553 38.957 38.460 -0.092 0.000 1.182 436 Y HN 0.503 nan 8.280 nan 0.000 0.502 437 I N 4.606 125.144 120.570 -0.053 0.000 2.359 437 I HA 0.191 4.362 4.170 0.001 0.000 0.284 437 I C -0.468 175.614 176.117 -0.058 0.000 1.018 437 I CA -0.590 60.642 61.300 -0.113 0.000 1.173 437 I CB 0.638 38.596 38.000 -0.071 0.000 1.326 437 I HN 0.732 nan 8.210 nan 0.000 0.462 438 N N 5.239 123.862 118.700 -0.130 0.000 2.783 438 N HA -0.195 4.546 4.740 0.001 0.000 0.247 438 N C -0.500 175.139 175.510 0.215 0.000 1.089 438 N CA 0.785 53.916 53.050 0.135 0.000 0.690 438 N CB -0.776 37.787 38.487 0.127 0.000 0.991 438 N HN 0.833 nan 8.380 nan 0.000 0.552 439 R N -1.606 119.036 120.500 0.236 0.000 2.728 439 R HA 0.348 4.689 4.340 0.001 0.000 0.274 439 R C -0.611 175.823 176.300 0.224 0.000 1.032 439 R CA -1.145 55.101 56.100 0.244 0.000 0.866 439 R CB 1.019 31.437 30.300 0.197 0.000 1.263 439 R HN -0.012 nan 8.270 nan 0.000 0.475 440 E N 1.770 122.053 120.200 0.139 0.000 2.390 440 E HA 0.051 4.401 4.350 0.001 0.000 0.261 440 E C -0.906 175.555 176.600 -0.232 0.000 1.076 440 E CA -0.426 55.986 56.400 0.020 0.000 0.905 440 E CB 0.443 30.150 29.700 0.012 0.000 0.984 440 E HN 0.543 nan 8.360 nan 0.000 0.427 441 N N 3.010 121.450 118.700 -0.433 0.000 2.421 441 N HA 0.150 4.891 4.740 0.001 0.000 0.260 441 N C -1.137 174.139 175.510 -0.390 0.000 1.173 441 N CA 0.154 52.624 53.050 -0.966 0.000 0.960 441 N CB -0.320 37.792 38.487 -0.626 0.000 1.273 441 N HN 0.443 nan 8.380 nan 0.000 0.497 442 F N 2.680 122.358 119.950 -0.452 0.000 3.034 442 F HA 0.039 4.566 4.527 0.001 0.000 0.371 442 F C 0.030 175.853 175.800 0.038 0.000 1.233 442 F CA -1.117 56.776 58.000 -0.178 0.000 1.134 442 F CB 0.924 39.818 39.000 -0.178 0.000 1.495 442 F HN 0.232 nan 8.300 nan 0.000 0.563 443 E N 4.029 124.094 120.200 -0.225 0.000 2.558 443 E HA 0.095 4.446 4.350 0.001 0.000 0.255 443 E C -0.418 175.924 176.600 -0.429 0.000 0.968 443 E CA -0.051 56.241 56.400 -0.181 0.000 0.939 443 E CB 1.088 30.703 29.700 -0.141 0.000 0.921 443 E HN 0.586 nan 8.360 nan 0.000 0.477 444 A N 4.643 127.369 122.820 -0.156 0.000 2.388 444 A HA 0.234 4.554 4.320 0.001 0.000 0.257 444 A C 1.563 179.152 177.584 0.008 0.000 1.095 444 A CA -0.130 51.844 52.037 -0.104 0.000 0.791 444 A CB 0.132 19.109 19.000 -0.038 0.000 1.029 444 A HN 0.875 nan 8.150 nan 0.000 0.489 445 M N 1.414 121.030 119.600 0.026 0.000 2.279 445 M HA -0.158 4.322 4.480 0.001 0.000 0.264 445 M C 1.505 177.706 176.300 -0.165 0.000 1.062 445 M CA 1.925 57.232 55.300 0.012 0.000 1.099 445 M CB -0.418 32.036 32.600 -0.244 0.000 1.394 445 M HN 0.766 nan 8.290 nan 0.000 0.426 446 Q N 1.523 121.167 119.800 -0.260 0.000 2.280 446 Q HA 0.304 4.645 4.340 0.001 0.000 0.201 446 Q C 0.746 176.826 176.000 0.134 0.000 0.890 446 Q CA 0.573 56.336 55.803 -0.067 0.000 0.947 446 Q CB -0.090 28.565 28.738 -0.138 0.000 1.081 446 Q HN 0.492 nan 8.270 nan 0.000 0.502 447 G N 1.039 109.929 108.800 0.151 0.000 2.714 447 G HA2 0.391 4.351 3.960 0.001 0.000 0.197 447 G HA3 0.391 4.351 3.960 0.001 0.000 0.197 447 G C -1.269 173.869 174.900 0.397 0.000 1.449 447 G CA -0.486 44.745 45.100 0.217 0.000 1.065 447 G HN 0.241 nan 8.290 nan 0.000 0.575 448 F N 0.029 120.097 119.950 0.198 0.000 2.941 448 F HA 0.374 4.902 4.527 0.001 0.000 0.359 448 F C -0.880 175.075 175.800 0.258 0.000 1.231 448 F CA -1.314 56.832 58.000 0.244 0.000 1.089 448 F CB 1.114 40.275 39.000 0.268 0.000 1.407 448 F HN 0.442 nan 8.300 nan 0.000 0.538 449 H N 4.663 123.700 119.070 -0.055 0.000 3.067 449 H HA 0.684 5.240 4.556 0.001 0.000 0.265 449 H C -0.914 174.182 175.328 -0.386 0.000 1.234 449 H CA 0.351 56.317 56.048 -0.136 0.000 1.452 449 H CB 0.122 29.897 29.762 0.023 0.000 1.527 449 H HN 0.657 nan 8.280 nan 0.000 0.486 450 A N 3.719 126.199 122.820 -0.567 0.000 2.408 450 A HA 0.611 4.931 4.320 0.001 0.000 0.295 450 A C 0.001 177.479 177.584 -0.176 0.000 1.040 450 A CA -0.229 51.521 52.037 -0.478 0.000 0.707 450 A CB 1.057 19.603 19.000 -0.756 0.000 1.235 450 A HN 0.760 nan 8.150 nan 0.000 0.418 451 G N 0.878 109.627 108.800 -0.085 0.000 2.367 451 G HA2 0.527 4.488 3.960 0.001 0.000 0.314 451 G HA3 0.527 4.488 3.960 0.001 0.000 0.314 451 G C -0.607 174.438 174.900 0.240 0.000 1.130 451 G CA -0.489 44.654 45.100 0.071 0.000 0.864 451 G HN 0.566 nan 8.290 nan 0.000 0.486 452 W N 0.813 122.064 121.300 -0.081 0.000 2.086 452 W HA 0.555 5.216 4.660 0.001 0.000 0.355 452 W C 1.405 177.861 176.519 -0.105 0.000 1.313 452 W CA -0.974 56.308 57.345 -0.105 0.000 1.358 452 W CB 0.152 29.519 29.460 -0.155 0.000 1.166 452 W HN 0.882 nan 8.180 nan 0.000 0.630 453 R N 0.244 120.806 120.500 0.103 0.000 3.835 453 R HA -0.342 3.998 4.340 0.001 0.000 0.455 453 R C 1.216 177.499 176.300 -0.029 0.000 0.241 453 R CA 1.803 57.902 56.100 -0.001 0.000 1.439 453 R CB -1.222 29.059 30.300 -0.030 0.000 0.987 453 R HN 0.454 nan 8.270 nan 0.000 0.570 454 K N 1.082 121.424 120.400 -0.097 0.000 2.525 454 K HA 0.071 4.392 4.320 0.001 0.000 0.192 454 K C 1.555 178.172 176.600 0.028 0.000 1.029 454 K CA 0.797 57.019 56.287 -0.108 0.000 1.029 454 K CB 0.105 32.429 32.500 -0.293 0.000 0.814 454 K HN 0.269 nan 8.250 nan 0.000 0.503 455 S N 0.478 116.244 115.700 0.109 0.000 2.507 455 S HA 0.018 4.489 4.470 0.001 0.000 0.235 455 S C 0.755 175.414 174.600 0.098 0.000 0.988 455 S CA 0.625 58.943 58.200 0.196 0.000 0.944 455 S CB 0.228 63.543 63.200 0.191 0.000 0.762 455 S HN 0.614 nan 8.310 nan 0.000 0.526 456 G N -0.009 108.824 108.800 0.056 0.000 2.359 456 G HA2 0.358 4.318 3.960 0.001 0.000 0.293 456 G HA3 0.358 4.318 3.960 0.001 0.000 0.293 456 G C -2.036 172.865 174.900 0.002 0.000 1.300 456 G CA -1.009 44.105 45.100 0.024 0.000 0.888 456 G HN 0.143 nan 8.290 nan 0.000 0.541 457 I N 1.027 121.593 120.570 -0.006 0.000 2.571 457 I HA 0.585 4.756 4.170 0.001 0.000 0.289 457 I C 0.772 176.887 176.117 -0.004 0.000 1.115 457 I CA 0.436 61.729 61.300 -0.012 0.000 1.045 457 I CB 1.654 39.643 38.000 -0.017 0.000 1.238 457 I HN 2.014 nan 8.210 nan 0.000 0.424 458 G N 4.233 113.043 108.800 0.016 0.000 2.593 458 G HA2 0.188 4.149 3.960 0.001 0.000 0.237 458 G HA3 0.188 4.149 3.960 0.001 0.000 0.237 458 G C -0.172 174.762 174.900 0.056 0.000 1.312 458 G CA -0.171 44.973 45.100 0.074 0.000 0.896 458 G HN 1.303 nan 8.290 nan 0.000 0.574 459 G N -2.305 106.570 108.800 0.126 0.000 2.490 459 G HA2 0.934 4.895 3.960 0.001 0.000 0.308 459 G HA3 0.934 4.895 3.960 0.001 0.000 0.308 459 G C -0.601 174.434 174.900 0.225 0.000 1.286 459 G CA 1.085 46.158 45.100 -0.045 0.000 0.825 459 G HN 2.536 nan 8.290 nan 0.000 0.479 460 A N -1.013 121.945 122.820 0.229 0.000 2.569 460 A HA 0.896 5.217 4.320 0.001 0.000 0.290 460 A C -1.199 176.710 177.584 0.541 0.000 1.136 460 A CA 0.306 52.584 52.037 0.400 0.000 0.710 460 A CB 1.152 20.326 19.000 0.290 0.000 1.303 460 A HN 1.693 nan 8.150 nan 0.000 0.413 461 D N -1.193 119.533 120.400 0.543 0.000 10.806 461 D HA 0.278 4.918 4.640 0.001 0.000 0.351 461 D C 0.581 177.170 176.300 0.482 0.000 3.130 461 D CA 2.394 56.731 54.000 0.562 0.000 2.646 461 D CB -1.005 40.114 40.800 0.532 0.000 1.204 461 D HN 2.376 nan 8.370 nan 0.000 0.941 462 G N 0.445 109.538 108.800 0.488 0.000 2.692 462 G HA2 -0.376 3.585 3.960 0.001 0.000 0.248 462 G HA3 -0.376 3.585 3.960 0.001 0.000 0.248 462 G C 0.801 175.784 174.900 0.138 0.000 1.340 462 G CA 1.059 46.430 45.100 0.452 0.000 0.896 462 G HN 0.858 nan 8.290 nan 0.000 0.570 463 K N -0.970 119.348 120.400 -0.137 0.000 2.057 463 K HA -0.134 4.186 4.320 0.001 0.000 0.207 463 K C 2.260 178.337 176.600 -0.871 0.000 1.049 463 K CA 1.906 57.666 56.287 -0.878 0.000 0.931 463 K CB -0.259 31.794 32.500 -0.746 0.000 0.714 463 K HN 0.637 nan 8.250 nan 0.000 0.440 464 H N -0.822 117.962 119.070 -0.475 0.000 2.423 464 H HA -0.029 4.528 4.556 0.001 0.000 0.297 464 H C 2.100 177.246 175.328 -0.304 0.000 1.075 464 H CA 1.325 57.015 56.048 -0.596 0.000 1.342 464 H CB -0.423 28.491 29.762 -1.413 0.000 1.395 464 H HN 0.441 nan 8.280 nan 0.000 0.530 465 G N 1.186 110.026 108.800 0.066 0.000 2.404 465 G HA2 -0.204 3.756 3.960 0.001 0.000 0.215 465 G HA3 -0.204 3.756 3.960 0.001 0.000 0.215 465 G C 1.897 176.886 174.900 0.149 0.000 1.174 465 G CA 0.681 45.984 45.100 0.338 0.000 0.780 465 G HN 0.333 nan 8.290 nan 0.000 0.537 466 L N 0.042 121.183 121.223 -0.137 0.000 2.012 466 L HA -0.086 4.255 4.340 0.001 0.000 0.210 466 L C 2.612 179.380 176.870 -0.170 0.000 1.073 466 L CA 2.197 56.867 54.840 -0.282 0.000 0.748 466 L CB -0.663 40.864 42.059 -0.887 0.000 0.891 466 L HN 0.422 nan 8.230 nan 0.000 0.431 467 H N -1.068 117.877 119.070 -0.208 0.000 2.489 467 H HA -0.109 4.448 4.556 0.001 0.000 0.293 467 H C 1.786 177.069 175.328 -0.075 0.000 1.066 467 H CA 0.686 56.640 56.048 -0.156 0.000 1.305 467 H CB 0.228 29.901 29.762 -0.148 0.000 1.386 467 H HN 0.393 nan 8.280 nan 0.000 0.551 468 E N 0.431 120.678 120.200 0.079 0.000 2.267 468 E HA -0.173 4.178 4.350 0.001 0.000 0.197 468 E C 0.688 177.139 176.600 -0.249 0.000 0.998 468 E CA 1.029 57.393 56.400 -0.061 0.000 0.830 468 E CB -0.080 29.571 29.700 -0.081 0.000 0.751 468 E HN 0.684 nan 8.360 nan 0.000 0.491 469 Y N -0.387 119.910 120.300 -0.006 0.000 2.468 469 Y HA 0.228 4.779 4.550 0.001 0.000 0.268 469 Y C 0.783 176.655 175.900 -0.046 0.000 1.177 469 Y CA -0.007 58.081 58.100 -0.020 0.000 1.265 469 Y CB 0.463 38.908 38.460 -0.025 0.000 1.103 469 Y HN -0.147 nan 8.280 nan 0.000 0.522 470 L N 0.923 122.164 121.223 0.029 0.000 2.354 470 L HA 0.449 4.790 4.340 0.001 0.000 0.269 470 L C -0.553 176.309 176.870 -0.012 0.000 1.005 470 L CA -0.921 53.917 54.840 -0.004 0.000 0.819 470 L CB 2.188 44.222 42.059 -0.042 0.000 1.311 470 L HN 0.048 nan 8.230 nan 0.000 0.423 471 Q N 0.202 120.003 119.800 0.002 0.000 2.496 471 Q HA 0.669 5.009 4.340 0.001 0.000 0.286 471 Q C -1.030 174.978 176.000 0.013 0.000 1.103 471 Q CA -0.886 54.915 55.803 -0.003 0.000 0.813 471 Q CB 2.242 30.982 28.738 0.003 0.000 1.444 471 Q HN 0.585 nan 8.270 nan 0.000 0.443 472 T N -1.566 112.994 114.554 0.010 0.000 2.895 472 T HA 0.351 4.702 4.350 0.001 0.000 0.283 472 T C -0.482 174.253 174.700 0.058 0.000 1.014 472 T CA -0.738 61.381 62.100 0.032 0.000 1.037 472 T CB 1.582 70.452 68.868 0.003 0.000 1.006 472 T HN 0.644 nan 8.240 nan 0.000 0.468 473 Q N 2.615 122.477 119.800 0.104 0.000 2.401 473 Q HA 0.465 4.805 4.340 0.001 0.000 0.260 473 Q C -1.455 174.642 176.000 0.162 0.000 1.034 473 Q CA -0.708 55.163 55.803 0.113 0.000 0.737 473 Q CB 1.242 30.032 28.738 0.086 0.000 1.227 473 Q HN 0.700 nan 8.270 nan 0.000 0.488 474 V N 4.566 124.547 119.914 0.112 0.000 2.389 474 V HA 0.195 4.315 4.120 0.001 0.000 0.264 474 V C 0.018 176.171 176.094 0.099 0.000 1.049 474 V CA -0.368 61.972 62.300 0.066 0.000 0.932 474 V CB 1.124 32.963 31.823 0.028 0.000 1.011 474 V HN 0.499 nan 8.190 nan 0.000 0.475 475 V N 6.272 126.239 119.914 0.088 0.000 2.370 475 V HA 0.324 4.445 4.120 0.001 0.000 0.279 475 V C -0.607 175.489 176.094 0.003 0.000 1.029 475 V CA -0.639 61.738 62.300 0.128 0.000 0.870 475 V CB 0.966 32.924 31.823 0.225 0.000 0.984 475 V HN 0.732 nan 8.190 nan 0.000 0.451 476 Y N 4.916 125.250 120.300 0.057 0.000 2.751 476 Y HA 0.387 4.937 4.550 0.001 0.000 0.333 476 Y C 0.130 176.051 175.900 0.035 0.000 1.122 476 Y CA -0.790 57.332 58.100 0.038 0.000 1.367 476 Y CB 0.905 39.379 38.460 0.023 0.000 1.242 476 Y HN 0.495 nan 8.280 nan 0.000 0.505 477 L N 3.980 125.277 121.223 0.124 0.000 2.404 477 L HA 0.241 4.582 4.340 0.001 0.000 0.277 477 L C 0.021 176.938 176.870 0.078 0.000 1.184 477 L CA -0.459 54.437 54.840 0.092 0.000 1.013 477 L CB 0.043 42.144 42.059 0.071 0.000 1.318 477 L HN 0.474 nan 8.230 nan 0.000 0.435 478 Q N 3.788 123.638 119.800 0.083 0.000 2.348 478 Q HA 0.411 4.752 4.340 0.001 0.000 0.251 478 Q C 0.421 176.446 176.000 0.041 0.000 1.113 478 Q CA 1.140 56.980 55.803 0.062 0.000 0.902 478 Q CB 0.084 28.856 28.738 0.057 0.000 1.333 478 Q HN 0.830 nan 8.270 nan 0.000 0.457 479 S N 0.000 115.720 115.700 0.034 0.000 2.498 479 S HA 0.000 4.471 4.470 0.001 0.000 0.327 479 S CA 0.000 58.215 58.200 0.025 0.000 1.107 479 S CB 0.000 63.212 63.200 0.020 0.000 0.593 479 S HN 0.000 nan 8.310 nan 0.000 0.517