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 3lrc_1_B DATA FIRST_RESID 6 DATA SEQUENCE DAHKVGLIPV TLMVSGNIMG SGVFLLPANL ASTGGIAIYG WLVTIIGALG DATA SEQUENCE LSMVYAKMSF LDPSPGGSYA YARRCFGPFL GYQTNVLYWL ACWIGNIAMV DATA SEQUENCE VIGVGYLSYF FPILKDPLVL TITCVVVLWI FVLLNIVGPK MITRVQAVAT DATA SEQUENCE VLALIPIVGI AVFGWFWFRG ETYMAAWNVS GLGTFGAIQS TLNVTLWSFI DATA SEQUENCE GVESASVAAG VVKNPKRNVP IATIGGVLIA AVCYVLSTTA IMGMIPNXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXTAG AIVSFCAAAG CLGSLGGWTL LAGQTAKAAA DATA SEQUENCE DDGLFPPIFA RVNKAGTPVA GLIIVGILMT IFQLSSISPN ATKEFGLVSS DATA SEQUENCE VSVIFTLVPY LYTCAALLLL GHGHFGKARP AYLAVTTIAF LYCIWAVVGS DATA SEQUENCE GAKEVMWSFV TLMVITAMYA LNYNRLHKNP 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.317 176.300 0.028 0.000 2.045 6 D CA 0.000 54.014 54.000 0.023 0.000 0.868 6 D CB 0.000 40.815 40.800 0.025 0.000 0.688 7 A N 0.892 123.742 122.820 0.051 0.000 2.498 7 A HA 0.014 4.333 4.320 -0.002 0.000 0.238 7 A C 0.765 178.390 177.584 0.069 0.000 1.225 7 A CA -0.012 52.053 52.037 0.045 0.000 0.978 7 A CB 0.034 19.059 19.000 0.041 0.000 1.142 7 A HN 0.572 nan 8.150 nan 0.000 0.552 8 H N 0.611 119.681 119.070 0.002 0.000 2.610 8 H HA 0.213 4.768 4.556 -0.002 0.000 0.302 8 H C -0.300 175.030 175.328 0.005 0.000 1.063 8 H CA 0.381 56.432 56.048 0.005 0.000 1.159 8 H CB 0.236 30.002 29.762 0.005 0.000 1.427 8 H HN 0.120 nan 8.280 nan 0.000 0.553 9 K N 0.627 121.015 120.400 -0.019 0.000 2.619 9 K HA 0.156 4.475 4.320 -0.002 0.000 0.201 9 K C 0.271 176.847 176.600 -0.039 0.000 1.090 9 K CA -0.381 55.892 56.287 -0.024 0.000 1.063 9 K CB 0.657 33.165 32.500 0.014 0.000 0.810 9 K HN 0.066 nan 8.250 nan 0.000 0.506 10 V N -0.624 119.254 119.914 -0.060 0.000 3.755 10 V HA -0.146 3.973 4.120 -0.002 0.000 0.535 10 V C 0.583 176.662 176.094 -0.025 0.000 0.682 10 V CA 0.574 62.847 62.300 -0.045 0.000 2.097 10 V CB -1.188 30.610 31.823 -0.042 0.000 2.496 10 V HN 0.523 nan 8.190 nan 0.000 0.518 11 G N -1.327 107.462 108.800 -0.019 0.000 2.687 11 G HA2 0.692 4.651 3.960 -0.002 0.000 0.291 11 G HA3 0.692 4.651 3.960 -0.002 0.000 0.291 11 G C -0.139 174.757 174.900 -0.006 0.000 1.420 11 G CA -0.325 44.768 45.100 -0.012 0.000 0.796 11 G HN 1.590 nan 8.290 nan 0.000 0.485 12 L N 0.385 121.606 121.223 -0.003 0.000 2.021 12 L HA -0.118 4.221 4.340 -0.002 0.000 0.215 12 L C 2.672 179.544 176.870 0.004 0.000 1.074 12 L CA 1.961 56.802 54.840 0.002 0.000 0.760 12 L CB -0.460 41.602 42.059 0.005 0.000 0.889 12 L HN 0.621 nan 8.230 nan 0.000 0.433 13 I N -0.297 120.274 120.570 0.002 0.000 2.118 13 I HA -0.256 3.913 4.170 -0.002 0.000 0.241 13 I C -0.446 175.673 176.117 0.003 0.000 1.070 13 I CA 1.729 63.031 61.300 0.004 0.000 1.327 13 I CB -1.492 36.510 38.000 0.003 0.000 1.034 13 I HN 0.349 nan 8.210 nan 0.000 0.405 14 P HA 0.054 nan 4.420 nan 0.000 0.255 14 P C 1.568 178.870 177.300 0.003 0.000 1.248 14 P CA 0.424 63.524 63.100 0.001 0.000 0.807 14 P CB 0.318 32.017 31.700 -0.002 0.000 1.150 15 V N 0.293 120.210 119.914 0.004 0.000 2.346 15 V HA -0.183 3.936 4.120 -0.002 0.000 0.244 15 V C 2.573 178.677 176.094 0.016 0.000 1.037 15 V CA 2.615 64.920 62.300 0.008 0.000 1.029 15 V CB -1.859 29.968 31.823 0.007 0.000 0.663 15 V HN 0.259 nan 8.190 nan 0.000 0.454 16 T N -1.138 113.425 114.554 0.016 0.000 2.788 16 T HA -0.162 4.187 4.350 -0.002 0.000 0.268 16 T C 1.903 176.615 174.700 0.020 0.000 1.044 16 T CA 1.466 63.579 62.100 0.022 0.000 1.139 16 T CB -0.502 68.378 68.868 0.019 0.000 0.867 16 T HN 0.338 nan 8.240 nan 0.000 0.454 17 L N 0.200 121.430 121.223 0.012 0.000 2.046 17 L HA -0.015 4.324 4.340 -0.002 0.000 0.208 17 L C 2.966 179.842 176.870 0.010 0.000 1.077 17 L CA 1.913 56.756 54.840 0.005 0.000 0.747 17 L CB -0.599 41.460 42.059 -0.000 0.000 0.896 17 L HN 0.344 nan 8.230 nan 0.000 0.432 18 M N -0.246 119.363 119.600 0.015 0.000 2.065 18 M HA -0.223 4.256 4.480 -0.002 0.000 0.259 18 M C 2.249 178.578 176.300 0.048 0.000 1.071 18 M CA 2.082 57.398 55.300 0.026 0.000 1.109 18 M CB -0.153 32.460 32.600 0.022 0.000 1.313 18 M HN 0.023 nan 8.290 nan 0.000 0.408 19 V N 0.062 120.005 119.914 0.049 0.000 2.287 19 V HA -0.268 3.851 4.120 -0.002 0.000 0.248 19 V C 2.600 178.747 176.094 0.087 0.000 1.053 19 V CA 2.218 64.560 62.300 0.070 0.000 1.027 19 V CB -1.079 30.781 31.823 0.061 0.000 0.646 19 V HN 0.698 nan 8.190 nan 0.000 0.447 20 S N 0.458 116.194 115.700 0.059 0.000 2.345 20 S HA -0.083 4.386 4.470 -0.002 0.000 0.220 20 S C 1.946 176.562 174.600 0.026 0.000 1.031 20 S CA 1.480 59.709 58.200 0.047 0.000 0.996 20 S CB -0.636 62.571 63.200 0.012 0.000 0.882 20 S HN 0.632 nan 8.310 nan 0.000 0.445 21 G N 0.362 109.168 108.800 0.011 0.000 2.776 21 G HA2 -0.027 3.932 3.960 -0.002 0.000 0.209 21 G HA3 -0.027 3.932 3.960 -0.002 0.000 0.209 21 G C 0.973 175.878 174.900 0.008 0.000 1.145 21 G CA 0.264 45.354 45.100 -0.017 0.000 0.791 21 G HN 0.691 nan 8.290 nan 0.000 0.530 22 N N -0.643 118.111 118.700 0.090 0.000 2.254 22 N HA 0.161 4.900 4.740 -0.002 0.000 0.190 22 N C 1.488 177.108 175.510 0.183 0.000 1.107 22 N CA -0.139 53.025 53.050 0.189 0.000 0.869 22 N CB 0.329 39.068 38.487 0.420 0.000 0.983 22 N HN 0.322 nan 8.380 nan 0.000 0.487 23 I N -0.627 120.025 120.570 0.137 0.000 2.927 23 I HA 0.040 4.209 4.170 -0.002 0.000 0.268 23 I C 2.112 178.241 176.117 0.019 0.000 1.153 23 I CA 0.121 61.499 61.300 0.130 0.000 1.459 23 I CB -0.071 38.060 38.000 0.219 0.000 1.149 23 I HN -0.002 nan 8.210 nan 0.000 0.443 24 M N 1.655 121.219 119.600 -0.060 0.000 3.267 24 M HA -0.244 4.235 4.480 -0.002 0.000 0.277 24 M C 1.639 177.897 176.300 -0.070 0.000 1.045 24 M CA 2.686 57.893 55.300 -0.155 0.000 1.055 24 M CB -0.889 31.633 32.600 -0.130 0.000 1.224 24 M HN 0.424 nan 8.290 nan 0.000 0.557 25 G N -4.488 104.275 108.800 -0.062 0.000 3.989 25 G HA2 0.009 3.968 3.960 -0.002 0.000 0.183 25 G HA3 0.009 3.968 3.960 -0.002 0.000 0.183 25 G C 0.691 175.485 174.900 -0.177 0.000 0.892 25 G CA 0.479 45.511 45.100 -0.113 0.000 0.914 25 G HN 0.587 nan 8.290 nan 0.000 0.347 26 S N -0.267 115.318 115.700 -0.191 0.000 3.073 26 S HA 0.501 4.970 4.470 -0.002 0.000 0.252 26 S C 1.046 175.538 174.600 -0.180 0.000 0.953 26 S CA 1.115 59.152 58.200 -0.272 0.000 1.105 26 S CB 0.149 63.137 63.200 -0.353 0.000 1.070 26 S HN 1.268 nan 8.310 nan 0.000 0.574 27 G N -0.127 108.628 108.800 -0.075 0.000 3.155 27 G HA2 0.185 4.144 3.960 -0.002 0.000 0.193 27 G HA3 0.185 4.144 3.960 -0.002 0.000 0.193 27 G C 0.860 175.807 174.900 0.078 0.000 1.215 27 G CA 0.548 45.632 45.100 -0.026 0.000 0.917 27 G HN 0.281 nan 8.290 nan 0.000 0.756 28 V N 0.706 120.704 119.914 0.139 0.000 2.244 28 V HA 0.078 4.197 4.120 -0.002 0.000 0.244 28 V C 1.470 177.658 176.094 0.157 0.000 1.042 28 V CA 0.981 63.398 62.300 0.195 0.000 1.006 28 V CB -0.475 31.450 31.823 0.170 0.000 0.641 28 V HN 0.316 nan 8.190 nan 0.000 0.446 29 F N 0.374 120.371 119.950 0.078 0.000 2.626 29 F HA 0.248 4.774 4.527 -0.002 0.000 0.368 29 F C 0.844 176.708 175.800 0.107 0.000 1.227 29 F CA 0.660 58.717 58.000 0.095 0.000 1.302 29 F CB -0.237 38.852 39.000 0.149 0.000 1.733 29 F HN 0.018 nan 8.300 nan 0.000 0.672 30 L N 0.445 121.689 121.223 0.035 0.000 4.451 30 L HA -0.117 4.222 4.340 -0.002 0.000 0.483 30 L C 1.445 178.314 176.870 -0.002 0.000 0.849 30 L CA 0.034 54.889 54.840 0.025 0.000 2.090 30 L CB -0.561 41.560 42.059 0.102 0.000 2.430 30 L HN 0.181 nan 8.230 nan 0.000 0.555 31 L N 1.222 122.457 121.223 0.020 0.000 1.989 31 L HA -0.147 4.192 4.340 -0.002 0.000 0.211 31 L C -0.522 176.373 176.870 0.042 0.000 1.071 31 L CA 2.131 56.996 54.840 0.042 0.000 0.749 31 L CB -1.317 40.815 42.059 0.121 0.000 0.890 31 L HN 0.195 nan 8.230 nan 0.000 0.431 32 P HA -0.185 nan 4.420 nan 0.000 0.216 32 P C 1.444 178.733 177.300 -0.018 0.000 1.153 32 P CA 1.840 64.943 63.100 0.004 0.000 0.858 32 P CB -0.048 31.611 31.700 -0.067 0.000 0.789 33 A N -0.313 122.479 122.820 -0.048 0.000 1.908 33 A HA -0.241 4.078 4.320 -0.002 0.000 0.218 33 A C 2.062 179.641 177.584 -0.007 0.000 1.181 33 A CA 2.112 54.128 52.037 -0.036 0.000 0.627 33 A CB -1.551 17.423 19.000 -0.044 0.000 0.818 33 A HN 0.145 nan 8.150 nan 0.000 0.445 34 N N -0.288 118.413 118.700 0.002 0.000 2.396 34 N HA -0.035 4.704 4.740 -0.002 0.000 0.180 34 N C 0.746 176.256 175.510 -0.001 0.000 1.028 34 N CA 1.158 54.216 53.050 0.013 0.000 0.893 34 N CB -0.225 38.275 38.487 0.023 0.000 0.967 34 N HN 0.503 nan 8.380 nan 0.000 0.440 35 L N -2.441 118.779 121.223 -0.005 0.000 2.872 35 L HA 0.576 4.915 4.340 -0.002 0.000 0.245 35 L C 1.301 178.171 176.870 0.001 0.000 1.211 35 L CA -0.343 54.490 54.840 -0.011 0.000 1.013 35 L CB -0.395 41.652 42.059 -0.020 0.000 1.326 35 L HN -0.139 nan 8.230 nan 0.000 0.525 36 A N 0.341 123.162 122.820 0.001 0.000 1.956 36 A HA 0.002 4.321 4.320 -0.002 0.000 0.212 36 A C 2.370 179.956 177.584 0.003 0.000 1.188 36 A CA 1.119 53.158 52.037 0.002 0.000 0.675 36 A CB -0.469 18.528 19.000 -0.005 0.000 0.845 36 A HN 0.496 nan 8.150 nan 0.000 0.455 37 S N 0.550 116.251 115.700 0.001 0.000 2.447 37 S HA -0.075 4.394 4.470 -0.002 0.000 0.233 37 S C 1.435 176.033 174.600 -0.004 0.000 1.006 37 S CA 1.193 59.393 58.200 0.001 0.000 0.957 37 S CB -1.388 61.814 63.200 0.003 0.000 0.773 37 S HN 0.752 nan 8.310 nan 0.000 0.507 38 T N -1.414 113.135 114.554 -0.008 0.000 2.887 38 T HA 0.519 4.868 4.350 -0.002 0.000 0.371 38 T C 1.590 176.286 174.700 -0.005 0.000 1.126 38 T CA 0.278 62.369 62.100 -0.014 0.000 1.043 38 T CB -0.497 68.356 68.868 -0.026 0.000 1.362 38 T HN 1.243 nan 8.240 nan 0.000 0.525 39 G N -0.961 107.834 108.800 -0.007 0.000 2.213 39 G HA2 -0.023 3.936 3.960 -0.002 0.000 0.236 39 G HA3 -0.023 3.936 3.960 -0.002 0.000 0.236 39 G C 0.627 175.508 174.900 -0.031 0.000 0.991 39 G CA 0.250 45.337 45.100 -0.022 0.000 0.629 39 G HN 1.377 nan 8.290 nan 0.000 0.517 40 G N 0.201 108.993 108.800 -0.015 0.000 2.460 40 G HA2 0.377 4.336 3.960 -0.002 0.000 0.230 40 G HA3 0.377 4.336 3.960 -0.002 0.000 0.230 40 G C 0.869 175.751 174.900 -0.029 0.000 1.248 40 G CA 0.497 45.593 45.100 -0.007 0.000 0.863 40 G HN 1.854 nan 8.290 nan 0.000 0.549 41 I N 0.307 120.870 120.570 -0.012 0.000 2.732 41 I HA -0.206 3.963 4.170 -0.002 0.000 0.127 41 I C 1.213 177.221 176.117 -0.182 0.000 0.882 41 I CA 1.090 62.363 61.300 -0.045 0.000 2.786 41 I CB -0.480 37.518 38.000 -0.003 0.000 0.553 41 I HN 2.274 nan 8.210 nan 0.000 0.352 42 A N 4.556 127.201 122.820 -0.291 0.000 2.791 42 A HA -0.239 4.080 4.320 -0.002 0.000 0.292 42 A C 1.027 178.567 177.584 -0.074 0.000 1.487 42 A CA 1.194 53.104 52.037 -0.212 0.000 0.760 42 A CB -2.211 16.717 19.000 -0.121 0.000 1.031 42 A HN 0.855 nan 8.150 nan 0.000 0.503 43 I N -1.493 119.025 120.570 -0.088 0.000 2.676 43 I HA -0.226 3.943 4.170 -0.002 0.000 0.259 43 I C 2.192 178.470 176.117 0.269 0.000 1.194 43 I CA 0.989 62.387 61.300 0.163 0.000 1.473 43 I CB -0.450 37.599 38.000 0.083 0.000 1.096 43 I HN 0.615 nan 8.210 nan 0.000 0.443 44 Y N 1.688 122.009 120.300 0.035 0.000 2.081 44 Y HA -0.225 4.324 4.550 -0.002 0.000 0.280 44 Y C 2.780 178.688 175.900 0.013 0.000 1.163 44 Y CA 1.000 59.105 58.100 0.009 0.000 1.135 44 Y CB -1.714 36.717 38.460 -0.048 0.000 0.970 44 Y HN 0.179 nan 8.280 nan 0.000 0.498 45 G N -0.961 107.914 108.800 0.125 0.000 2.606 45 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.221 45 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.221 45 G C 1.543 176.407 174.900 -0.060 0.000 1.152 45 G CA 1.287 46.358 45.100 -0.048 0.000 0.765 45 G HN 0.527 nan 8.290 nan 0.000 0.595 46 W N 0.028 121.364 121.300 0.061 0.000 2.355 46 W HA 0.057 4.716 4.660 -0.002 0.000 0.309 46 W C 2.484 179.062 176.519 0.099 0.000 1.206 46 W CA 0.374 57.761 57.345 0.071 0.000 1.284 46 W CB -0.508 28.983 29.460 0.052 0.000 1.145 46 W HN 0.072 nan 8.180 nan 0.000 0.502 47 L N 0.336 121.751 121.223 0.320 0.000 1.963 47 L HA -0.248 4.091 4.340 -0.002 0.000 0.220 47 L C 1.927 178.879 176.870 0.136 0.000 1.076 47 L CA 2.191 57.148 54.840 0.195 0.000 0.772 47 L CB -1.435 40.700 42.059 0.128 0.000 0.892 47 L HN -0.058 nan 8.230 nan 0.000 0.435 48 V N -0.611 119.352 119.914 0.082 0.000 2.358 48 V HA -0.241 3.878 4.120 -0.002 0.000 0.246 48 V C 2.780 178.928 176.094 0.090 0.000 1.047 48 V CA 1.973 64.293 62.300 0.033 0.000 1.035 48 V CB -0.461 31.334 31.823 -0.047 0.000 0.658 48 V HN 0.595 nan 8.190 nan 0.000 0.452 49 T N -0.688 113.940 114.554 0.123 0.000 2.788 49 T HA -0.117 4.232 4.350 -0.002 0.000 0.268 49 T C 1.785 176.698 174.700 0.354 0.000 1.044 49 T CA 1.531 63.759 62.100 0.213 0.000 1.139 49 T CB -0.213 68.730 68.868 0.125 0.000 0.867 49 T HN 0.348 nan 8.240 nan 0.000 0.454 50 I N 0.210 120.995 120.570 0.359 0.000 2.286 50 I HA -0.074 4.095 4.170 -0.002 0.000 0.245 50 I C 2.301 178.515 176.117 0.162 0.000 1.104 50 I CA 0.954 62.472 61.300 0.364 0.000 1.397 50 I CB -0.196 38.053 38.000 0.415 0.000 1.072 50 I HN 0.304 nan 8.210 nan 0.000 0.417 51 I N 0.548 121.191 120.570 0.123 0.000 2.099 51 I HA -0.279 3.890 4.170 -0.002 0.000 0.239 51 I C 2.604 178.728 176.117 0.012 0.000 1.066 51 I CA 1.976 63.306 61.300 0.051 0.000 1.324 51 I CB -0.848 37.172 38.000 0.034 0.000 1.037 51 I HN 0.271 nan 8.210 nan 0.000 0.401 52 G N 0.095 108.928 108.800 0.055 0.000 2.440 52 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.218 52 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.218 52 G C 1.810 176.586 174.900 -0.207 0.000 1.154 52 G CA 0.856 45.983 45.100 0.045 0.000 0.767 52 G HN 0.529 nan 8.290 nan 0.000 0.552 53 A N 0.341 122.999 122.820 -0.271 0.000 1.902 53 A HA 0.052 4.371 4.320 -0.002 0.000 0.217 53 A C 2.375 179.615 177.584 -0.573 0.000 1.181 53 A CA 1.573 53.119 52.037 -0.817 0.000 0.623 53 A CB -0.472 18.078 19.000 -0.751 0.000 0.818 53 A HN 0.366 nan 8.150 nan 0.000 0.443 54 L N -0.065 120.972 121.223 -0.311 0.000 2.131 54 L HA -0.076 4.263 4.340 -0.002 0.000 0.210 54 L C 2.509 179.273 176.870 -0.175 0.000 1.092 54 L CA 1.821 56.544 54.840 -0.195 0.000 0.759 54 L CB -0.656 41.359 42.059 -0.074 0.000 0.903 54 L HN 0.377 nan 8.230 nan 0.000 0.435 55 G N -0.794 107.901 108.800 -0.175 0.000 2.440 55 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.218 55 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.218 55 G C 1.663 176.444 174.900 -0.199 0.000 1.154 55 G CA 0.974 45.987 45.100 -0.144 0.000 0.767 55 G HN 0.388 nan 8.290 nan 0.000 0.552 56 L N 1.146 122.168 121.223 -0.334 0.000 2.046 56 L HA -0.119 4.220 4.340 -0.002 0.000 0.208 56 L C 3.310 180.020 176.870 -0.267 0.000 1.077 56 L CA 1.842 56.474 54.840 -0.347 0.000 0.747 56 L CB -0.264 41.470 42.059 -0.542 0.000 0.896 56 L HN 0.461 nan 8.230 nan 0.000 0.432 57 S N -0.612 114.930 115.700 -0.263 0.000 2.383 57 S HA -0.248 4.221 4.470 -0.002 0.000 0.227 57 S C 1.999 176.557 174.600 -0.071 0.000 1.026 57 S CA 1.211 59.317 58.200 -0.157 0.000 0.981 57 S CB -0.344 62.767 63.200 -0.148 0.000 0.818 57 S HN 0.395 nan 8.310 nan 0.000 0.472 58 M N 0.701 120.250 119.600 -0.085 0.000 2.108 58 M HA -0.075 4.404 4.480 -0.002 0.000 0.261 58 M C 2.315 178.573 176.300 -0.070 0.000 1.066 58 M CA 1.509 56.776 55.300 -0.055 0.000 1.107 58 M CB -0.688 31.889 32.600 -0.039 0.000 1.356 58 M HN 0.289 nan 8.290 nan 0.000 0.406 59 V N -0.504 119.361 119.914 -0.081 0.000 2.231 59 V HA -0.345 3.774 4.120 -0.002 0.000 0.248 59 V C 2.000 178.059 176.094 -0.058 0.000 1.054 59 V CA 2.134 64.378 62.300 -0.094 0.000 1.015 59 V CB -0.840 30.928 31.823 -0.091 0.000 0.638 59 V HN 0.412 nan 8.190 nan 0.000 0.444 60 Y N -0.056 120.098 120.300 -0.244 0.000 2.193 60 Y HA -0.293 4.256 4.550 -0.002 0.000 0.285 60 Y C 2.460 178.261 175.900 -0.165 0.000 1.166 60 Y CA 1.049 59.000 58.100 -0.248 0.000 1.181 60 Y CB -0.340 37.992 38.460 -0.215 0.000 0.976 60 Y HN 0.290 nan 8.280 nan 0.000 0.520 61 A N 0.153 122.986 122.820 0.021 0.000 1.851 61 A HA -0.233 4.086 4.320 -0.002 0.000 0.216 61 A C 1.893 179.482 177.584 0.008 0.000 1.195 61 A CA 1.984 54.032 52.037 0.018 0.000 0.622 61 A CB -0.439 18.568 19.000 0.013 0.000 0.831 61 A HN 0.206 nan 8.150 nan 0.000 0.444 62 K N -1.610 118.725 120.400 -0.107 0.000 2.487 62 K HA 0.247 4.566 4.320 -0.002 0.000 0.192 62 K C 1.395 177.909 176.600 -0.144 0.000 1.027 62 K CA 0.435 56.609 56.287 -0.188 0.000 1.054 62 K CB 0.062 32.256 32.500 -0.509 0.000 0.824 62 K HN 0.505 nan 8.250 nan 0.000 0.510 63 M N -0.368 119.129 119.600 -0.173 0.000 2.398 63 M HA -0.020 4.459 4.480 -0.002 0.000 0.261 63 M C 1.665 177.962 176.300 -0.004 0.000 1.125 63 M CA 1.266 56.439 55.300 -0.211 0.000 1.183 63 M CB -0.344 31.893 32.600 -0.604 0.000 1.322 63 M HN 0.099 nan 8.290 nan 0.000 0.467 64 S N -0.360 115.326 115.700 -0.023 0.000 2.469 64 S HA -0.168 4.301 4.470 -0.002 0.000 0.238 64 S C 1.956 176.589 174.600 0.056 0.000 0.998 64 S CA 0.914 59.156 58.200 0.070 0.000 0.957 64 S CB -1.493 61.724 63.200 0.028 0.000 0.764 64 S HN 0.519 nan 8.310 nan 0.000 0.514 65 F N 1.782 121.690 119.950 -0.071 0.000 2.250 65 F HA -0.009 4.517 4.527 -0.002 0.000 0.301 65 F C 1.647 177.409 175.800 -0.063 0.000 1.077 65 F CA 1.274 59.234 58.000 -0.066 0.000 1.348 65 F CB -0.042 38.906 39.000 -0.087 0.000 1.040 65 F HN 0.199 nan 8.300 nan 0.000 0.509 66 L N -1.056 120.221 121.223 0.089 0.000 2.496 66 L HA 0.074 4.413 4.340 -0.002 0.000 0.189 66 L C 0.294 177.137 176.870 -0.046 0.000 1.308 66 L CA 0.328 55.172 54.840 0.007 0.000 0.912 66 L CB -0.773 41.317 42.059 0.052 0.000 1.148 66 L HN -0.205 nan 8.230 nan 0.000 0.537 67 D N 2.119 122.516 120.400 -0.006 0.000 2.524 67 D HA 0.166 4.805 4.640 -0.002 0.000 0.222 67 D C -2.413 173.792 176.300 -0.159 0.000 1.142 67 D CA -1.952 51.990 54.000 -0.096 0.000 0.973 67 D CB 0.687 41.412 40.800 -0.125 0.000 1.025 67 D HN -0.001 nan 8.370 nan 0.000 0.519 68 P HA 0.303 nan 4.420 nan 0.000 0.206 68 P C -0.456 176.766 177.300 -0.130 0.000 1.870 68 P CA -0.375 62.651 63.100 -0.125 0.000 1.166 68 P CB 0.864 32.523 31.700 -0.068 0.000 1.760 69 S N 1.118 116.721 115.700 -0.163 0.000 3.294 69 S HA 0.177 4.646 4.470 -0.002 0.000 0.195 69 S C -2.534 171.929 174.600 -0.228 0.000 0.943 69 S CA -0.180 57.858 58.200 -0.271 0.000 1.266 69 S CB -1.414 61.567 63.200 -0.364 0.000 1.152 69 S HN 0.214 nan 8.310 nan 0.000 0.386 70 P HA 0.686 nan 4.420 nan 0.000 0.285 70 P C 0.298 177.550 177.300 -0.079 0.000 1.448 70 P CA 0.153 63.191 63.100 -0.104 0.000 0.953 70 P CB 1.054 32.717 31.700 -0.062 0.000 1.175 71 G N 1.829 110.562 108.800 -0.111 0.000 2.574 71 G HA2 0.384 4.343 3.960 -0.002 0.000 0.158 71 G HA3 0.384 4.343 3.960 -0.002 0.000 0.158 71 G C 0.609 175.456 174.900 -0.088 0.000 1.494 71 G CA 0.457 45.520 45.100 -0.062 0.000 0.742 71 G HN 0.469 nan 8.290 nan 0.000 0.718 72 G N -0.063 108.687 108.800 -0.084 0.000 2.992 72 G HA2 0.297 4.255 3.960 -0.002 0.000 0.195 72 G HA3 0.297 4.255 3.960 -0.002 0.000 0.195 72 G C 1.173 176.058 174.900 -0.026 0.000 2.032 72 G CA 1.529 46.540 45.100 -0.148 0.000 0.831 72 G HN 1.300 nan 8.290 nan 0.000 0.647 73 S N -1.426 114.433 115.700 0.265 0.000 3.183 73 S HA -0.316 4.153 4.470 -0.002 0.000 0.380 73 S C 0.669 175.344 174.600 0.125 0.000 1.102 73 S CA 2.445 60.725 58.200 0.133 0.000 1.049 73 S CB -0.823 62.360 63.200 -0.029 0.000 0.896 73 S HN 1.348 nan 8.310 nan 0.000 0.534 74 Y N -2.728 117.535 120.300 -0.062 0.000 2.498 74 Y HA 0.474 5.023 4.550 -0.002 0.000 0.298 74 Y C 1.536 177.307 175.900 -0.216 0.000 0.994 74 Y CA 0.741 58.764 58.100 -0.129 0.000 0.958 74 Y CB -0.692 37.646 38.460 -0.203 0.000 1.402 74 Y HN 0.139 nan 8.280 nan 0.000 0.581 75 A N 1.627 124.041 122.820 -0.677 0.000 1.870 75 A HA -0.260 4.058 4.320 -0.002 0.000 0.219 75 A C 1.692 178.818 177.584 -0.764 0.000 1.224 75 A CA 2.681 54.178 52.037 -0.900 0.000 0.650 75 A CB -1.752 16.625 19.000 -1.038 0.000 0.836 75 A HN 0.741 nan 8.150 nan 0.000 0.454 76 Y N -0.179 119.937 120.300 -0.307 0.000 2.483 76 Y HA 0.112 4.661 4.550 -0.002 0.000 0.291 76 Y C 2.655 178.446 175.900 -0.182 0.000 1.143 76 Y CA 0.391 58.360 58.100 -0.217 0.000 1.289 76 Y CB -0.859 37.490 38.460 -0.184 0.000 0.983 76 Y HN 0.306 nan 8.280 nan 0.000 0.556 77 A N 0.736 123.507 122.820 -0.083 0.000 1.969 77 A HA -0.152 4.167 4.320 -0.002 0.000 0.218 77 A C 2.213 179.687 177.584 -0.184 0.000 1.169 77 A CA 0.816 52.821 52.037 -0.053 0.000 0.635 77 A CB -0.581 18.436 19.000 0.028 0.000 0.810 77 A HN 0.374 nan 8.150 nan 0.000 0.445 78 R N -0.685 119.577 120.500 -0.397 0.000 2.417 78 R HA -0.082 4.257 4.340 -0.002 0.000 0.220 78 R C 0.508 176.724 176.300 -0.141 0.000 1.128 78 R CA 1.126 57.005 56.100 -0.367 0.000 1.048 78 R CB -0.079 29.944 30.300 -0.462 0.000 0.835 78 R HN 0.537 nan 8.270 nan 0.000 0.483 79 R N -2.982 117.478 120.500 -0.067 0.000 2.496 79 R HA 0.065 4.404 4.340 -0.002 0.000 0.369 79 R C 1.224 177.547 176.300 0.038 0.000 0.896 79 R CA -0.178 55.933 56.100 0.018 0.000 1.147 79 R CB -0.312 29.998 30.300 0.016 0.000 1.697 79 R HN 0.065 nan 8.270 nan 0.000 0.518 80 C N 0.002 119.310 119.300 0.012 0.000 2.481 80 C HA 0.238 4.697 4.460 -0.002 0.000 0.275 80 C C 1.489 176.511 174.990 0.053 0.000 1.419 80 C CA 0.495 59.495 59.018 -0.029 0.000 1.773 80 C CB -0.666 26.963 27.740 -0.184 0.000 1.862 80 C HN 0.618 nan 8.230 nan 0.000 0.530 81 F N -0.939 118.960 119.950 -0.086 0.000 1.855 81 F HA 0.384 4.910 4.527 -0.002 0.000 0.228 81 F C 1.861 177.637 175.800 -0.041 0.000 1.236 81 F CA 0.561 58.537 58.000 -0.041 0.000 1.308 81 F CB 0.002 39.006 39.000 0.007 0.000 1.877 81 F HN -0.037 nan 8.300 nan 0.000 0.272 82 G N 0.305 109.212 108.800 0.178 0.000 3.528 82 G HA2 0.240 4.199 3.960 -0.002 0.000 0.266 82 G HA3 0.240 4.199 3.960 -0.002 0.000 0.266 82 G C -2.283 172.267 174.900 -0.585 0.000 1.004 82 G CA -0.463 44.556 45.100 -0.134 0.000 0.853 82 G HN 0.137 nan 8.290 nan 0.000 0.501 83 P HA -0.224 nan 4.420 nan 0.000 0.216 83 P C 1.605 178.659 177.300 -0.410 0.000 1.057 83 P CA 0.403 63.071 63.100 -0.721 0.000 0.932 83 P CB -0.142 31.104 31.700 -0.757 0.000 0.567 84 F N -0.022 119.720 119.950 -0.346 0.000 2.064 84 F HA -0.313 4.213 4.527 -0.002 0.000 0.292 84 F C 2.165 178.116 175.800 0.253 0.000 1.107 84 F CA 1.970 60.078 58.000 0.180 0.000 1.243 84 F CB -1.408 37.775 39.000 0.305 0.000 0.949 84 F HN -0.121 nan 8.300 nan 0.000 0.506 85 L N -0.018 121.223 121.223 0.030 0.000 2.079 85 L HA -0.170 4.169 4.340 -0.002 0.000 0.210 85 L C 2.786 179.684 176.870 0.046 0.000 1.081 85 L CA 1.519 56.340 54.840 -0.032 0.000 0.752 85 L CB -1.507 40.684 42.059 0.221 0.000 0.896 85 L HN 0.529 nan 8.230 nan 0.000 0.433 86 G N -1.733 107.035 108.800 -0.053 0.000 2.408 86 G HA2 -0.222 3.736 3.960 -0.002 0.000 0.215 86 G HA3 -0.222 3.736 3.960 -0.002 0.000 0.215 86 G C 1.230 176.159 174.900 0.049 0.000 1.156 86 G CA 0.121 45.203 45.100 -0.029 0.000 0.793 86 G HN 0.213 nan 8.290 nan 0.000 0.535 87 Y N 0.887 121.234 120.300 0.078 0.000 2.242 87 Y HA -0.091 4.458 4.550 -0.002 0.000 0.291 87 Y C 2.934 178.863 175.900 0.048 0.000 1.137 87 Y CA 1.025 59.150 58.100 0.042 0.000 1.181 87 Y CB -0.604 37.877 38.460 0.035 0.000 0.989 87 Y HN 0.328 nan 8.280 nan 0.000 0.527 88 Q N 0.131 120.005 119.800 0.124 0.000 1.948 88 Q HA -0.237 4.102 4.340 -0.002 0.000 0.205 88 Q C 1.923 177.899 176.000 -0.039 0.000 0.992 88 Q CA 2.744 58.482 55.803 -0.108 0.000 0.849 88 Q CB -0.679 27.839 28.738 -0.367 0.000 0.918 88 Q HN 0.363 nan 8.270 nan 0.000 0.421 89 T N 1.394 115.957 114.554 0.016 0.000 2.701 89 T HA -0.281 4.068 4.350 -0.002 0.000 0.265 89 T C 1.533 176.276 174.700 0.072 0.000 1.032 89 T CA 1.846 63.977 62.100 0.052 0.000 1.158 89 T CB -0.635 68.331 68.868 0.163 0.000 0.854 89 T HN 0.470 nan 8.240 nan 0.000 0.463 90 N N 0.618 119.325 118.700 0.011 0.000 2.006 90 N HA -0.123 4.616 4.740 -0.002 0.000 0.196 90 N C 1.841 177.413 175.510 0.104 0.000 1.057 90 N CA 2.153 55.152 53.050 -0.085 0.000 0.853 90 N CB -0.709 37.502 38.487 -0.460 0.000 1.051 90 N HN 0.286 nan 8.380 nan 0.000 0.423 91 V N 1.679 121.643 119.914 0.083 0.000 2.250 91 V HA -0.279 3.840 4.120 -0.002 0.000 0.253 91 V C 2.431 178.699 176.094 0.289 0.000 1.065 91 V CA 2.268 64.734 62.300 0.277 0.000 1.039 91 V CB -1.468 30.459 31.823 0.173 0.000 0.647 91 V HN 0.572 nan 8.190 nan 0.000 0.446 92 L N -1.309 119.957 121.223 0.071 0.000 2.362 92 L HA -0.134 4.205 4.340 -0.002 0.000 0.219 92 L C 2.362 179.319 176.870 0.145 0.000 1.134 92 L CA 1.768 56.552 54.840 -0.093 0.000 0.807 92 L CB -0.349 41.480 42.059 -0.384 0.000 0.927 92 L HN 0.469 nan 8.230 nan 0.000 0.447 93 Y N -0.916 119.464 120.300 0.133 0.000 2.301 93 Y HA -0.144 4.405 4.550 -0.002 0.000 0.295 93 Y C 2.265 178.313 175.900 0.247 0.000 1.126 93 Y CA 1.172 59.377 58.100 0.175 0.000 1.154 93 Y CB -0.358 38.173 38.460 0.118 0.000 1.075 93 Y HN 0.305 nan 8.280 nan 0.000 0.534 94 W N 1.507 123.053 121.300 0.410 0.000 2.381 94 W HA -0.150 4.509 4.660 -0.002 0.000 0.301 94 W C 0.611 177.390 176.519 0.433 0.000 1.205 94 W CA 1.157 58.728 57.345 0.376 0.000 1.285 94 W CB -0.328 29.341 29.460 0.348 0.000 1.133 94 W HN 0.037 nan 8.180 nan 0.000 0.521 95 L N 1.732 123.273 121.223 0.530 0.000 2.436 95 L HA 0.307 4.646 4.340 -0.002 0.000 0.244 95 L C 0.499 177.375 176.870 0.011 0.000 1.396 95 L CA 1.016 55.998 54.840 0.237 0.000 1.217 95 L CB -0.540 41.830 42.059 0.517 0.000 1.420 95 L HN 0.265 nan 8.230 nan 0.000 0.434 96 A N 0.513 123.200 122.820 -0.222 0.000 2.413 96 A HA -0.037 4.282 4.320 -0.002 0.000 0.220 96 A C 1.035 178.570 177.584 -0.083 0.000 2.888 96 A CA 0.166 52.120 52.037 -0.140 0.000 1.570 96 A CB -1.382 17.680 19.000 0.105 0.000 0.161 96 A HN 0.544 nan 8.150 nan 0.000 0.550 97 C N -1.491 117.736 119.300 -0.121 0.000 2.464 97 C HA 0.261 4.720 4.460 -0.002 0.000 0.348 97 C C 2.034 177.108 174.990 0.139 0.000 1.367 97 C CA 1.378 60.419 59.018 0.038 0.000 2.012 97 C CB -0.783 26.971 27.740 0.024 0.000 2.434 97 C HN 1.023 nan 8.230 nan 0.000 0.536 98 W N 0.338 121.486 121.300 -0.253 0.000 2.872 98 W HA 0.361 5.020 4.660 -0.002 0.000 0.266 98 W C 1.606 178.003 176.519 -0.203 0.000 1.276 98 W CA 0.399 57.591 57.345 -0.256 0.000 1.471 98 W CB -0.587 28.590 29.460 -0.472 0.000 1.071 98 W HN 0.087 nan 8.180 nan 0.000 0.619 99 I N 1.778 121.613 120.570 -1.225 0.000 2.193 99 I HA -0.094 4.075 4.170 -0.002 0.000 0.240 99 I C 2.647 178.453 176.117 -0.518 0.000 1.084 99 I CA 1.835 62.471 61.300 -1.108 0.000 1.365 99 I CB -1.099 36.165 38.000 -1.226 0.000 1.064 99 I HN 0.257 nan 8.210 nan 0.000 0.410 100 G N 0.621 109.180 108.800 -0.401 0.000 2.516 100 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.221 100 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.221 100 G C 1.291 175.954 174.900 -0.395 0.000 1.107 100 G CA 0.807 45.673 45.100 -0.391 0.000 0.747 100 G HN 0.337 nan 8.290 nan 0.000 0.567 101 N N 0.735 119.284 118.700 -0.251 0.000 2.080 101 N HA -0.056 4.683 4.740 -0.002 0.000 0.189 101 N C 2.156 177.586 175.510 -0.133 0.000 1.036 101 N CA 0.896 53.843 53.050 -0.171 0.000 0.846 101 N CB -0.340 38.133 38.487 -0.024 0.000 1.015 101 N HN 0.375 nan 8.380 nan 0.000 0.423 102 I N 0.813 121.336 120.570 -0.079 0.000 2.315 102 I HA -0.269 3.899 4.170 -0.002 0.000 0.251 102 I C 2.194 178.283 176.117 -0.047 0.000 1.125 102 I CA 1.184 62.485 61.300 0.002 0.000 1.392 102 I CB -0.378 37.712 38.000 0.150 0.000 1.065 102 I HN 0.090 nan 8.210 nan 0.000 0.424 103 A N 0.651 123.402 122.820 -0.115 0.000 1.877 103 A HA -0.187 4.132 4.320 -0.002 0.000 0.216 103 A C 2.413 179.888 177.584 -0.180 0.000 1.186 103 A CA 1.481 53.428 52.037 -0.150 0.000 0.620 103 A CB -0.526 18.337 19.000 -0.228 0.000 0.822 103 A HN 0.296 nan 8.150 nan 0.000 0.443 104 M N 0.107 119.560 119.600 -0.245 0.000 2.149 104 M HA -0.167 4.312 4.480 -0.002 0.000 0.261 104 M C 2.161 178.357 176.300 -0.173 0.000 1.064 104 M CA 1.981 57.118 55.300 -0.271 0.000 1.102 104 M CB -0.854 31.534 32.600 -0.353 0.000 1.369 104 M HN 0.468 nan 8.290 nan 0.000 0.408 105 V N -3.534 116.322 119.914 -0.097 0.000 2.446 105 V HA -0.061 4.058 4.120 -0.002 0.000 0.244 105 V C 2.309 178.392 176.094 -0.019 0.000 1.039 105 V CA 0.758 63.038 62.300 -0.033 0.000 1.045 105 V CB -1.305 30.531 31.823 0.022 0.000 0.681 105 V HN 0.164 nan 8.190 nan 0.000 0.459 106 V N 0.015 119.914 119.914 -0.025 0.000 2.660 106 V HA -0.213 3.906 4.120 -0.002 0.000 0.257 106 V C 2.194 178.295 176.094 0.012 0.000 1.088 106 V CA 2.396 64.691 62.300 -0.009 0.000 1.106 106 V CB -0.378 31.433 31.823 -0.021 0.000 0.686 106 V HN 0.503 nan 8.190 nan 0.000 0.481 107 I N -0.891 119.674 120.570 -0.009 0.000 3.039 107 I HA 0.082 4.251 4.170 -0.002 0.000 0.270 107 I C 2.461 178.624 176.117 0.076 0.000 1.150 107 I CA 1.024 62.355 61.300 0.053 0.000 1.448 107 I CB -0.430 37.560 38.000 -0.016 0.000 1.197 107 I HN 0.350 nan 8.210 nan 0.000 0.450 108 G N 0.606 109.350 108.800 -0.093 0.000 2.432 108 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.219 108 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.219 108 G C 1.505 176.415 174.900 0.018 0.000 1.135 108 G CA 1.017 46.025 45.100 -0.153 0.000 0.767 108 G HN 0.273 nan 8.290 nan 0.000 0.550 109 V N 0.802 120.751 119.914 0.058 0.000 2.992 109 V HA 0.148 4.267 4.120 -0.002 0.000 0.250 109 V C 2.928 179.085 176.094 0.106 0.000 1.090 109 V CA 1.051 63.398 62.300 0.080 0.000 1.101 109 V CB -0.275 31.584 31.823 0.059 0.000 0.743 109 V HN 0.370 nan 8.190 nan 0.000 0.468 110 G N -1.122 107.754 108.800 0.128 0.000 2.535 110 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.218 110 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.218 110 G C 1.308 176.285 174.900 0.129 0.000 1.122 110 G CA 0.562 45.737 45.100 0.124 0.000 0.769 110 G HN 0.520 nan 8.290 nan 0.000 0.549 111 Y N -0.464 119.814 120.300 -0.037 0.000 2.475 111 Y HA 0.305 4.853 4.550 -0.002 0.000 0.289 111 Y C 2.068 177.908 175.900 -0.101 0.000 1.121 111 Y CA 0.271 58.314 58.100 -0.095 0.000 1.257 111 Y CB 0.401 38.772 38.460 -0.149 0.000 1.026 111 Y HN 0.053 nan 8.280 nan 0.000 0.555 112 L N -0.617 120.670 121.223 0.107 0.000 2.928 112 L HA 0.122 4.461 4.340 -0.002 0.000 0.246 112 L C 1.748 178.703 176.870 0.141 0.000 1.239 112 L CA 0.223 55.129 54.840 0.109 0.000 1.035 112 L CB -0.175 41.960 42.059 0.126 0.000 1.360 112 L HN 0.056 nan 8.230 nan 0.000 0.529 113 S N -0.466 115.314 115.700 0.133 0.000 2.537 113 S HA -0.045 4.424 4.470 -0.002 0.000 0.240 113 S C 0.360 175.025 174.600 0.108 0.000 0.981 113 S CA 1.013 59.276 58.200 0.105 0.000 0.948 113 S CB 0.020 63.292 63.200 0.120 0.000 0.759 113 S HN 0.430 nan 8.310 nan 0.000 0.531 114 Y N -1.688 118.768 120.300 0.261 0.000 2.974 114 Y HA 0.493 5.042 4.550 -0.002 0.000 0.310 114 Y C -0.810 175.459 175.900 0.615 0.000 1.551 114 Y CA -1.654 56.645 58.100 0.332 0.000 1.084 114 Y CB 0.730 39.347 38.460 0.262 0.000 1.446 114 Y HN 0.042 nan 8.280 nan 0.000 0.472 115 F N 1.328 121.472 119.950 0.323 0.000 2.257 115 F HA -0.192 4.333 4.527 -0.002 0.000 0.431 115 F C -0.171 175.807 175.800 0.297 0.000 1.182 115 F CA 0.216 58.365 58.000 0.248 0.000 1.412 115 F CB -1.585 37.529 39.000 0.191 0.000 2.156 115 F HN 0.490 nan 8.300 nan 0.000 0.758 116 F N -0.544 119.505 119.950 0.165 0.000 2.180 116 F HA -0.317 4.209 4.527 -0.002 0.000 0.317 116 F C -0.769 175.068 175.800 0.062 0.000 0.129 116 F CA 1.153 59.209 58.000 0.093 0.000 0.910 116 F CB -1.953 37.100 39.000 0.089 0.000 4.124 116 F HN 0.443 nan 8.300 nan 0.000 0.145 117 P HA -0.303 nan 4.420 nan 0.000 0.272 117 P C -0.205 177.007 177.300 -0.147 0.000 0.984 117 P CA 1.917 64.976 63.100 -0.068 0.000 1.121 117 P CB -0.215 31.504 31.700 0.033 0.000 0.831 118 I N -2.096 118.376 120.570 -0.163 0.000 7.683 118 I HA -0.288 3.881 4.170 -0.002 0.000 0.126 118 I C 0.799 176.753 176.117 -0.270 0.000 1.653 118 I CA 1.058 62.169 61.300 -0.314 0.000 2.302 118 I CB -1.014 36.560 38.000 -0.709 0.000 3.342 118 I HN 0.417 nan 8.210 nan 0.000 0.243 119 L N 3.828 124.935 121.223 -0.193 0.000 7.010 119 L HA -0.405 3.934 4.340 -0.002 0.000 0.053 119 L C 1.090 177.868 176.870 -0.153 0.000 1.604 119 L CA 1.056 55.810 54.840 -0.142 0.000 1.640 119 L CB -0.890 41.109 42.059 -0.101 0.000 2.749 119 L HN 0.939 nan 8.230 nan 0.000 1.088 120 K N 0.122 120.464 120.400 -0.096 0.000 3.096 120 K HA -0.197 4.122 4.320 -0.002 0.000 0.266 120 K C -0.264 176.309 176.600 -0.045 0.000 1.043 120 K CA 1.439 57.687 56.287 -0.065 0.000 0.758 120 K CB -1.669 30.785 32.500 -0.078 0.000 1.260 120 K HN 0.710 nan 8.250 nan 0.000 0.481 121 D N -2.785 117.593 120.400 -0.036 0.000 1.847 121 D HA 0.054 4.693 4.640 -0.002 0.000 0.433 121 D C -1.210 175.083 176.300 -0.013 0.000 1.046 121 D CA 0.134 54.124 54.000 -0.017 0.000 1.009 121 D CB -0.281 40.511 40.800 -0.014 0.000 1.834 121 D HN 0.215 nan 8.370 nan 0.000 0.542 122 P HA 0.247 nan 4.420 nan 0.000 0.331 122 P C 1.268 178.560 177.300 -0.014 0.000 1.426 122 P CA -0.296 62.795 63.100 -0.015 0.000 0.880 122 P CB 0.512 32.200 31.700 -0.019 0.000 2.175 123 L N -0.571 120.644 121.223 -0.013 0.000 2.552 123 L HA -0.041 4.298 4.340 -0.002 0.000 0.227 123 L C 2.011 178.875 176.870 -0.010 0.000 1.146 123 L CA 0.223 55.056 54.840 -0.011 0.000 0.858 123 L CB -0.297 41.756 42.059 -0.010 0.000 0.969 123 L HN -0.017 nan 8.230 nan 0.000 0.451 124 V N -0.245 119.660 119.914 -0.015 0.000 2.453 124 V HA -0.272 3.847 4.120 -0.002 0.000 0.247 124 V C 2.334 178.423 176.094 -0.008 0.000 1.048 124 V CA 1.195 63.486 62.300 -0.015 0.000 1.049 124 V CB -0.165 31.641 31.823 -0.027 0.000 0.672 124 V HN 0.387 nan 8.190 nan 0.000 0.457 125 L N 0.313 121.531 121.223 -0.009 0.000 1.990 125 L HA -0.267 4.071 4.340 -0.002 0.000 0.213 125 L C 2.782 179.656 176.870 0.007 0.000 1.072 125 L CA 2.750 57.590 54.840 0.000 0.000 0.755 125 L CB -0.574 41.485 42.059 -0.001 0.000 0.889 125 L HN 0.553 nan 8.230 nan 0.000 0.432 126 T N -1.118 113.437 114.554 0.002 0.000 2.737 126 T HA -0.206 4.143 4.350 -0.002 0.000 0.265 126 T C 1.794 176.505 174.700 0.020 0.000 1.038 126 T CA 1.344 63.447 62.100 0.005 0.000 1.144 126 T CB -0.202 68.662 68.868 -0.008 0.000 0.866 126 T HN 0.195 nan 8.240 nan 0.000 0.434 127 I N 1.123 121.702 120.570 0.016 0.000 2.423 127 I HA -0.065 4.104 4.170 -0.002 0.000 0.254 127 I C 2.590 178.727 176.117 0.033 0.000 1.151 127 I CA 1.399 62.712 61.300 0.023 0.000 1.421 127 I CB -0.448 37.558 38.000 0.010 0.000 1.079 127 I HN 0.310 nan 8.210 nan 0.000 0.431 128 T N -1.689 112.882 114.554 0.030 0.000 2.976 128 T HA -0.104 4.245 4.350 -0.002 0.000 0.257 128 T C 2.074 176.806 174.700 0.053 0.000 1.051 128 T CA 1.183 63.305 62.100 0.037 0.000 1.141 128 T CB -0.263 68.622 68.868 0.029 0.000 0.881 128 T HN 0.407 nan 8.240 nan 0.000 0.461 129 C N 0.834 120.164 119.300 0.051 0.000 2.425 129 C HA 0.005 4.464 4.460 -0.002 0.000 0.277 129 C C 2.719 177.763 174.990 0.090 0.000 1.280 129 C CA 0.294 59.349 59.018 0.062 0.000 1.744 129 C CB -1.067 26.698 27.740 0.042 0.000 1.989 129 C HN 0.352 nan 8.230 nan 0.000 0.491 130 V N 0.130 120.102 119.914 0.097 0.000 2.287 130 V HA -0.173 3.945 4.120 -0.002 0.000 0.248 130 V C 2.330 178.564 176.094 0.234 0.000 1.053 130 V CA 2.105 64.499 62.300 0.156 0.000 1.027 130 V CB -0.366 31.538 31.823 0.134 0.000 0.646 130 V HN 0.471 nan 8.190 nan 0.000 0.447 131 V N -0.893 119.116 119.914 0.157 0.000 3.129 131 V HA -0.070 4.049 4.120 -0.002 0.000 0.259 131 V C 2.161 178.325 176.094 0.117 0.000 1.116 131 V CA 0.980 63.370 62.300 0.150 0.000 1.127 131 V CB 0.689 32.549 31.823 0.061 0.000 0.742 131 V HN 0.400 nan 8.190 nan 0.000 0.474 132 V N -0.353 119.614 119.914 0.087 0.000 2.667 132 V HA -0.146 3.973 4.120 -0.002 0.000 0.252 132 V C 2.128 178.253 176.094 0.052 0.000 1.065 132 V CA 1.397 63.717 62.300 0.033 0.000 1.083 132 V CB -0.148 31.718 31.823 0.073 0.000 0.692 132 V HN 0.435 nan 8.190 nan 0.000 0.468 133 L N -1.662 119.640 121.223 0.131 0.000 1.988 133 L HA -0.147 4.192 4.340 -0.002 0.000 0.207 133 L C 2.360 179.274 176.870 0.073 0.000 1.071 133 L CA 2.021 56.938 54.840 0.127 0.000 0.744 133 L CB -0.496 41.582 42.059 0.031 0.000 0.893 133 L HN 0.351 nan 8.230 nan 0.000 0.433 134 W N 0.072 121.391 121.300 0.032 0.000 2.359 134 W HA -0.208 4.451 4.660 -0.002 0.000 0.275 134 W C 2.340 178.828 176.519 -0.051 0.000 1.217 134 W CA 0.747 58.099 57.345 0.012 0.000 1.196 134 W CB -0.417 29.045 29.460 0.003 0.000 1.129 134 W HN 0.114 nan 8.180 nan 0.000 0.566 135 I N -0.737 119.848 120.570 0.025 0.000 2.087 135 I HA -0.389 3.780 4.170 -0.002 0.000 0.240 135 I C 2.002 177.960 176.117 -0.266 0.000 1.054 135 I CA 1.711 62.861 61.300 -0.249 0.000 1.311 135 I CB -0.576 37.044 38.000 -0.633 0.000 1.024 135 I HN -0.088 nan 8.210 nan 0.000 0.402 136 F N -0.445 119.546 119.950 0.068 0.000 2.367 136 F HA -0.088 4.438 4.527 -0.002 0.000 0.298 136 F C 2.320 178.142 175.800 0.037 0.000 1.094 136 F CA 0.539 58.564 58.000 0.043 0.000 1.409 136 F CB -1.192 37.822 39.000 0.024 0.000 1.064 136 F HN -0.168 nan 8.300 nan 0.000 0.528 137 V N -0.078 119.924 119.914 0.147 0.000 2.287 137 V HA -0.281 3.837 4.120 -0.002 0.000 0.248 137 V C 2.383 178.556 176.094 0.131 0.000 1.053 137 V CA 1.619 63.962 62.300 0.071 0.000 1.027 137 V CB -0.599 31.159 31.823 -0.107 0.000 0.646 137 V HN 0.210 nan 8.190 nan 0.000 0.447 138 L N -0.806 120.519 121.223 0.170 0.000 2.093 138 L HA -0.063 4.276 4.340 -0.002 0.000 0.208 138 L C 2.005 178.939 176.870 0.108 0.000 1.085 138 L CA 1.646 56.574 54.840 0.146 0.000 0.755 138 L CB -0.525 41.616 42.059 0.137 0.000 0.904 138 L HN 0.241 nan 8.230 nan 0.000 0.435 139 L N -0.605 120.681 121.223 0.105 0.000 2.622 139 L HA -0.085 4.254 4.340 -0.002 0.000 0.233 139 L C 1.659 178.605 176.870 0.127 0.000 1.156 139 L CA 0.453 55.362 54.840 0.115 0.000 0.866 139 L CB -0.590 41.553 42.059 0.140 0.000 0.980 139 L HN 0.444 nan 8.230 nan 0.000 0.448 140 N N 0.014 118.787 118.700 0.121 0.000 2.510 140 N HA 0.107 4.846 4.740 -0.002 0.000 0.186 140 N C 1.831 177.392 175.510 0.085 0.000 1.051 140 N CA 0.383 53.491 53.050 0.097 0.000 0.877 140 N CB 0.531 39.074 38.487 0.093 0.000 1.183 140 N HN 0.270 nan 8.380 nan 0.000 0.443 141 I N 1.302 121.928 120.570 0.092 0.000 2.657 141 I HA -0.169 4.000 4.170 -0.002 0.000 0.261 141 I C 1.813 177.981 176.117 0.085 0.000 1.212 141 I CA 0.703 62.056 61.300 0.089 0.000 1.453 141 I CB 0.039 38.100 38.000 0.100 0.000 1.092 141 I HN -0.074 nan 8.210 nan 0.000 0.452 142 V N 0.342 120.307 119.914 0.084 0.000 2.685 142 V HA 0.091 4.210 4.120 -0.002 0.000 0.244 142 V C 1.929 178.071 176.094 0.080 0.000 1.054 142 V CA 1.131 63.479 62.300 0.080 0.000 1.076 142 V CB -0.898 30.968 31.823 0.071 0.000 0.725 142 V HN 0.477 nan 8.190 nan 0.000 0.467 143 G N 1.111 109.950 108.800 0.066 0.000 2.394 143 G HA2 0.006 3.965 3.960 -0.002 0.000 0.256 143 G HA3 0.006 3.965 3.960 -0.002 0.000 0.256 143 G C -1.196 173.730 174.900 0.043 0.000 1.504 143 G CA 0.442 45.563 45.100 0.035 0.000 1.051 143 G HN 0.361 nan 8.290 nan 0.000 0.550 144 P HA 0.067 nan 4.420 nan 0.000 0.229 144 P C 1.467 178.745 177.300 -0.037 0.000 1.160 144 P CA 0.897 63.998 63.100 0.001 0.000 0.777 144 P CB 0.159 31.860 31.700 0.003 0.000 0.814 145 K N -0.698 119.634 120.400 -0.114 0.000 2.283 145 K HA -0.064 4.255 4.320 -0.002 0.000 0.202 145 K C 1.808 178.366 176.600 -0.070 0.000 1.048 145 K CA 0.811 57.016 56.287 -0.137 0.000 0.948 145 K CB -0.266 32.057 32.500 -0.294 0.000 0.742 145 K HN 0.014 nan 8.250 nan 0.000 0.458 146 M N 0.521 120.100 119.600 -0.035 0.000 2.357 146 M HA -0.044 4.435 4.480 -0.002 0.000 0.266 146 M C 1.783 178.104 176.300 0.034 0.000 1.095 146 M CA 0.879 56.183 55.300 0.007 0.000 1.156 146 M CB -0.195 32.422 32.600 0.029 0.000 1.365 146 M HN 0.135 nan 8.290 nan 0.000 0.447 147 I N 0.435 121.031 120.570 0.044 0.000 2.315 147 I HA -0.209 3.960 4.170 -0.002 0.000 0.248 147 I C 2.421 178.563 176.117 0.042 0.000 1.117 147 I CA 1.533 62.874 61.300 0.068 0.000 1.404 147 I CB -0.718 37.329 38.000 0.078 0.000 1.071 147 I HN 0.301 nan 8.210 nan 0.000 0.419 148 T N -0.686 113.879 114.554 0.018 0.000 2.867 148 T HA -0.184 4.165 4.350 -0.002 0.000 0.268 148 T C 2.220 176.925 174.700 0.009 0.000 1.057 148 T CA 1.287 63.392 62.100 0.008 0.000 1.136 148 T CB -0.188 68.678 68.868 -0.005 0.000 0.874 148 T HN 0.300 nan 8.240 nan 0.000 0.466 149 R N -0.073 120.433 120.500 0.011 0.000 2.115 149 R HA -0.008 4.330 4.340 -0.002 0.000 0.230 149 R C 2.337 178.654 176.300 0.029 0.000 1.111 149 R CA 1.151 57.260 56.100 0.015 0.000 0.976 149 R CB -0.285 30.022 30.300 0.012 0.000 0.870 149 R HN 0.318 nan 8.270 nan 0.000 0.445 150 V N 0.478 120.419 119.914 0.046 0.000 2.261 150 V HA -0.272 3.847 4.120 -0.002 0.000 0.246 150 V C 2.308 178.425 176.094 0.038 0.000 1.047 150 V CA 2.052 64.392 62.300 0.067 0.000 1.015 150 V CB -0.533 31.364 31.823 0.124 0.000 0.642 150 V HN 0.368 nan 8.190 nan 0.000 0.446 151 Q N 0.087 119.896 119.800 0.016 0.000 2.124 151 Q HA -0.172 4.166 4.340 -0.002 0.000 0.202 151 Q C 2.138 178.132 176.000 -0.010 0.000 0.977 151 Q CA 2.084 57.879 55.803 -0.014 0.000 0.850 151 Q CB -0.433 28.296 28.738 -0.015 0.000 0.901 151 Q HN 0.626 nan 8.270 nan 0.000 0.429 152 A N -0.470 122.351 122.820 0.001 0.000 1.845 152 A HA -0.172 4.146 4.320 -0.002 0.000 0.215 152 A C 2.221 179.806 177.584 0.002 0.000 1.195 152 A CA 1.840 53.878 52.037 0.001 0.000 0.616 152 A CB -1.037 17.966 19.000 0.005 0.000 0.832 152 A HN 0.291 nan 8.150 nan 0.000 0.443 153 V N -0.049 119.871 119.914 0.011 0.000 2.255 153 V HA -0.253 3.866 4.120 -0.002 0.000 0.247 153 V C 3.024 179.123 176.094 0.009 0.000 1.051 153 V CA 2.141 64.452 62.300 0.017 0.000 1.018 153 V CB -1.565 30.276 31.823 0.031 0.000 0.641 153 V HN 0.614 nan 8.190 nan 0.000 0.445 154 A N 1.016 123.836 122.820 -0.000 0.000 1.933 154 A HA -0.200 4.119 4.320 -0.002 0.000 0.218 154 A C 2.461 180.006 177.584 -0.066 0.000 1.175 154 A CA 2.520 54.537 52.037 -0.033 0.000 0.628 154 A CB -0.979 17.997 19.000 -0.040 0.000 0.814 154 A HN 0.663 nan 8.150 nan 0.000 0.444 155 T N -3.338 111.183 114.554 -0.055 0.000 2.942 155 T HA -0.009 4.340 4.350 -0.002 0.000 0.265 155 T C 1.575 176.248 174.700 -0.045 0.000 1.062 155 T CA 1.062 63.124 62.100 -0.063 0.000 1.139 155 T CB -0.471 68.363 68.868 -0.057 0.000 0.883 155 T HN 0.089 nan 8.240 nan 0.000 0.468 156 V N 0.669 120.568 119.914 -0.025 0.000 3.078 156 V HA 0.149 4.267 4.120 -0.002 0.000 0.265 156 V C 2.157 178.245 176.094 -0.009 0.000 1.122 156 V CA 0.833 63.125 62.300 -0.013 0.000 1.141 156 V CB -0.694 31.128 31.823 -0.001 0.000 0.735 156 V HN 0.520 nan 8.190 nan 0.000 0.498 157 L N -0.351 120.862 121.223 -0.016 0.000 2.068 157 L HA 0.053 4.392 4.340 -0.002 0.000 0.204 157 L C 2.492 179.337 176.870 -0.042 0.000 1.076 157 L CA 1.418 56.253 54.840 -0.008 0.000 0.753 157 L CB -0.525 41.532 42.059 -0.004 0.000 0.910 157 L HN 0.373 nan 8.230 nan 0.000 0.439 158 A N -0.720 122.050 122.820 -0.083 0.000 2.239 158 A HA -0.007 4.312 4.320 -0.002 0.000 0.209 158 A C 2.041 179.595 177.584 -0.050 0.000 1.171 158 A CA 0.634 52.617 52.037 -0.090 0.000 0.768 158 A CB -0.353 18.573 19.000 -0.123 0.000 0.790 158 A HN 0.388 nan 8.150 nan 0.000 0.478 159 L N -0.803 120.398 121.223 -0.038 0.000 2.307 159 L HA -0.003 4.336 4.340 -0.002 0.000 0.211 159 L C 2.163 179.026 176.870 -0.012 0.000 1.099 159 L CA 0.370 55.195 54.840 -0.026 0.000 0.816 159 L CB -0.327 41.719 42.059 -0.022 0.000 0.952 159 L HN 0.389 nan 8.230 nan 0.000 0.455 160 I N 0.433 120.996 120.570 -0.012 0.000 2.091 160 I HA -0.254 3.915 4.170 -0.002 0.000 0.239 160 I C -0.222 175.887 176.117 -0.014 0.000 1.061 160 I CA 1.684 62.974 61.300 -0.017 0.000 1.317 160 I CB -1.806 36.189 38.000 -0.009 0.000 1.031 160 I HN 0.197 nan 8.210 nan 0.000 0.401 161 P HA -0.199 nan 4.420 nan 0.000 0.211 161 P C 1.867 179.196 177.300 0.047 0.000 1.181 161 P CA 1.824 64.946 63.100 0.037 0.000 0.929 161 P CB -0.096 31.642 31.700 0.063 0.000 0.789 162 I N -1.170 119.426 120.570 0.043 0.000 2.099 162 I HA -0.214 3.955 4.170 -0.002 0.000 0.239 162 I C 2.260 178.397 176.117 0.034 0.000 1.066 162 I CA 1.551 62.871 61.300 0.033 0.000 1.324 162 I CB -1.359 36.640 38.000 -0.001 0.000 1.037 162 I HN -0.202 nan 8.210 nan 0.000 0.401 163 V N 1.718 121.647 119.914 0.025 0.000 2.469 163 V HA -0.212 3.907 4.120 -0.002 0.000 0.251 163 V C 2.662 178.821 176.094 0.110 0.000 1.064 163 V CA 2.079 64.409 62.300 0.050 0.000 1.066 163 V CB -1.605 30.240 31.823 0.037 0.000 0.667 163 V HN 0.625 nan 8.190 nan 0.000 0.461 164 G N 0.442 109.282 108.800 0.067 0.000 2.418 164 G HA2 -0.211 3.747 3.960 -0.002 0.000 0.217 164 G HA3 -0.211 3.747 3.960 -0.002 0.000 0.217 164 G C 1.479 176.508 174.900 0.216 0.000 1.158 164 G CA 1.071 46.203 45.100 0.053 0.000 0.771 164 G HN 0.563 nan 8.290 nan 0.000 0.545 165 I N 1.272 121.938 120.570 0.160 0.000 2.676 165 I HA 0.033 4.202 4.170 -0.002 0.000 0.259 165 I C 3.110 179.358 176.117 0.217 0.000 1.194 165 I CA 0.525 61.938 61.300 0.187 0.000 1.473 165 I CB -0.155 37.901 38.000 0.093 0.000 1.096 165 I HN 0.202 nan 8.210 nan 0.000 0.443 166 A N 1.037 123.966 122.820 0.180 0.000 1.845 166 A HA -0.128 4.191 4.320 -0.002 0.000 0.215 166 A C 2.408 180.146 177.584 0.257 0.000 1.195 166 A CA 2.163 54.290 52.037 0.150 0.000 0.616 166 A CB -0.821 18.227 19.000 0.079 0.000 0.832 166 A HN 0.211 nan 8.150 nan 0.000 0.443 167 V N -2.036 118.082 119.914 0.341 0.000 2.436 167 V HA -0.031 4.088 4.120 -0.002 0.000 0.240 167 V C 2.254 178.702 176.094 0.590 0.000 1.040 167 V CA 1.309 63.899 62.300 0.484 0.000 1.052 167 V CB -1.043 30.988 31.823 0.347 0.000 0.707 167 V HN 0.519 nan 8.190 nan 0.000 0.469 168 F N 1.797 121.944 119.950 0.328 0.000 2.095 168 F HA -0.101 4.425 4.527 -0.002 0.000 0.298 168 F C 2.467 178.473 175.800 0.343 0.000 1.104 168 F CA 1.765 59.934 58.000 0.283 0.000 1.232 168 F CB -0.927 38.191 39.000 0.198 0.000 0.987 168 F HN 0.249 nan 8.300 nan 0.000 0.475 169 G N -1.354 107.744 108.800 0.497 0.000 2.470 169 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.220 169 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.220 169 G C 1.273 176.433 174.900 0.433 0.000 1.121 169 G CA 0.513 45.852 45.100 0.398 0.000 0.766 169 G HN 0.581 nan 8.290 nan 0.000 0.553 170 W N 0.233 121.688 121.300 0.259 0.000 2.467 170 W HA 0.236 4.895 4.660 -0.002 0.000 0.275 170 W C 1.590 178.259 176.519 0.250 0.000 1.239 170 W CA 0.282 57.756 57.345 0.215 0.000 1.266 170 W CB -0.234 29.318 29.460 0.154 0.000 1.112 170 W HN 0.070 nan 8.180 nan 0.000 0.576 171 F N -1.129 118.696 119.950 -0.208 0.000 2.473 171 F HA 0.109 4.635 4.527 -0.002 0.000 0.294 171 F C 1.887 177.640 175.800 -0.079 0.000 1.103 171 F CA 0.794 58.541 58.000 -0.422 0.000 1.442 171 F CB -0.439 38.294 39.000 -0.445 0.000 1.097 171 F HN -0.113 nan 8.300 nan 0.000 0.547 172 W N -0.069 121.327 121.300 0.161 0.000 1.174 172 W HA 0.040 4.699 4.660 -0.002 0.000 0.282 172 W C 0.214 176.860 176.519 0.212 0.000 0.682 172 W CA -0.031 57.441 57.345 0.211 0.000 0.915 172 W CB -0.719 28.908 29.460 0.279 0.000 1.114 172 W HN -0.375 nan 8.180 nan 0.000 0.562 173 F N 2.649 123.079 119.950 0.800 0.000 2.623 173 F HA -0.101 4.425 4.527 -0.001 0.000 0.386 173 F C 0.850 176.842 175.800 0.321 0.000 1.068 173 F CA 0.893 59.161 58.000 0.448 0.000 1.265 173 F CB 0.132 39.317 39.000 0.309 0.000 1.026 173 F HN 0.156 nan 8.300 nan 0.000 0.568 174 R N 2.476 123.120 120.500 0.240 0.000 2.448 174 R HA -0.154 4.185 4.340 -0.002 0.000 0.336 174 R C 0.259 176.323 176.300 -0.392 0.000 1.038 174 R CA 0.368 56.428 56.100 -0.066 0.000 0.804 174 R CB -1.480 28.759 30.300 -0.101 0.000 2.350 174 R HN 1.082 nan 8.270 nan 0.000 0.484 175 G N 1.387 109.884 108.800 -0.503 0.000 3.858 175 G HA2 -0.061 3.898 3.960 -0.002 0.000 0.114 175 G HA3 -0.061 3.898 3.960 -0.002 0.000 0.114 175 G C 0.189 174.933 174.900 -0.259 0.000 1.120 175 G CA -0.128 44.840 45.100 -0.220 0.000 1.226 175 G HN 0.314 nan 8.290 nan 0.000 0.471 176 E N 1.163 121.233 120.200 -0.217 0.000 2.465 176 E HA 0.147 4.496 4.350 -0.002 0.000 0.191 176 E C 1.896 178.385 176.600 -0.185 0.000 1.053 176 E CA 0.481 56.806 56.400 -0.125 0.000 0.869 176 E CB 0.350 30.010 29.700 -0.066 0.000 0.977 176 E HN 0.379 nan 8.360 nan 0.000 0.483 177 T N 0.346 114.667 114.554 -0.389 0.000 2.746 177 T HA -0.190 4.159 4.350 -0.002 0.000 0.267 177 T C 1.470 176.086 174.700 -0.140 0.000 1.039 177 T CA 1.256 63.183 62.100 -0.289 0.000 1.142 177 T CB -0.356 68.315 68.868 -0.328 0.000 0.866 177 T HN 0.386 nan 8.240 nan 0.000 0.444 178 Y N 0.851 121.232 120.300 0.135 0.000 2.224 178 Y HA 0.009 4.558 4.550 -0.001 0.000 0.289 178 Y C 2.649 178.657 175.900 0.180 0.000 1.146 178 Y CA 0.572 58.758 58.100 0.142 0.000 1.182 178 Y CB -0.612 37.928 38.460 0.133 0.000 0.983 178 Y HN 0.097 nan 8.280 nan 0.000 0.524 179 M N 0.401 120.166 119.600 0.275 0.000 2.296 179 M HA -0.142 4.337 4.480 -0.002 0.000 0.265 179 M C 2.259 178.675 176.300 0.193 0.000 1.064 179 M CA 1.503 56.986 55.300 0.305 0.000 1.109 179 M CB -0.071 32.633 32.600 0.173 0.000 1.396 179 M HN 0.366 nan 8.290 nan 0.000 0.430 180 A N 0.037 122.917 122.820 0.100 0.000 1.897 180 A HA 0.018 4.337 4.320 -0.002 0.000 0.215 180 A C 2.226 179.881 177.584 0.118 0.000 1.181 180 A CA 1.610 53.680 52.037 0.056 0.000 0.620 180 A CB -0.980 18.024 19.000 0.008 0.000 0.821 180 A HN 0.595 nan 8.150 nan 0.000 0.443 181 A N -2.605 120.311 122.820 0.160 0.000 2.014 181 A HA 0.208 4.527 4.320 -0.002 0.000 0.218 181 A C 0.859 178.596 177.584 0.255 0.000 1.163 181 A CA 0.804 52.944 52.037 0.171 0.000 0.652 181 A CB -0.654 18.439 19.000 0.155 0.000 0.808 181 A HN 0.767 nan 8.150 nan 0.000 0.449 182 W N 0.006 121.336 121.300 0.051 0.000 2.732 182 W HA -0.314 4.345 4.660 -0.001 0.000 0.222 182 W C 0.765 177.293 176.519 0.015 0.000 0.698 182 W CA 1.186 58.551 57.345 0.033 0.000 0.939 182 W CB -0.840 28.632 29.460 0.020 0.000 1.049 182 W HN 0.444 nan 8.180 nan 0.000 0.430 183 N N -0.149 118.442 118.700 -0.182 0.000 2.125 183 N HA 0.187 4.926 4.740 -0.002 0.000 0.241 183 N C 0.569 176.078 175.510 -0.001 0.000 1.273 183 N CA 1.506 54.416 53.050 -0.235 0.000 0.947 183 N CB -1.149 37.030 38.487 -0.514 0.000 1.036 183 N HN 0.518 nan 8.380 nan 0.000 0.409 184 V N -1.060 118.857 119.914 0.005 0.000 3.859 184 V HA -0.337 3.782 4.120 -0.002 0.000 0.548 184 V C 1.250 177.365 176.094 0.036 0.000 0.687 184 V CA 1.027 63.363 62.300 0.061 0.000 2.116 184 V CB -1.501 30.401 31.823 0.132 0.000 2.502 184 V HN 0.847 nan 8.190 nan 0.000 0.523 185 S N -1.709 114.017 115.700 0.042 0.000 1.616 185 S HA -0.226 4.243 4.470 -0.002 0.000 0.237 185 S C 1.074 175.683 174.600 0.016 0.000 0.811 185 S CA 1.985 60.202 58.200 0.028 0.000 1.381 185 S CB -1.482 61.733 63.200 0.024 0.000 1.728 185 S HN 2.582 nan 8.310 nan 0.000 0.522 186 G N 1.278 110.082 108.800 0.007 0.000 2.614 186 G HA2 0.414 4.373 3.960 -0.002 0.000 0.239 186 G HA3 0.414 4.373 3.960 -0.002 0.000 0.239 186 G C 0.210 175.121 174.900 0.018 0.000 1.240 186 G CA -0.366 44.735 45.100 0.003 0.000 0.842 186 G HN 0.549 nan 8.290 nan 0.000 0.584 187 L N 2.012 123.247 121.223 0.021 0.000 2.919 187 L HA 0.369 4.708 4.340 -0.002 0.000 0.242 187 L C 1.247 178.149 176.870 0.053 0.000 1.366 187 L CA 0.383 55.241 54.840 0.031 0.000 1.212 187 L CB -1.750 40.322 42.059 0.022 0.000 1.604 187 L HN 0.966 nan 8.230 nan 0.000 0.433 188 G N 0.034 108.869 108.800 0.058 0.000 2.663 188 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.686 188 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.686 188 G C 0.571 175.525 174.900 0.090 0.000 1.246 188 G CA -0.284 44.868 45.100 0.086 0.000 0.795 188 G HN 0.376 nan 8.290 nan 0.000 0.627 189 T N -1.269 113.344 114.554 0.098 0.000 2.652 189 T HA -0.086 4.262 4.350 -0.002 0.000 0.267 189 T C 1.542 176.279 174.700 0.062 0.000 1.039 189 T CA 1.737 63.873 62.100 0.059 0.000 1.153 189 T CB -0.219 68.675 68.868 0.042 0.000 0.863 189 T HN 0.841 nan 8.240 nan 0.000 0.428 190 F N 3.298 123.273 119.950 0.042 0.000 2.447 190 F HA 0.365 4.891 4.527 -0.002 0.000 0.339 190 F C 1.749 177.572 175.800 0.038 0.000 1.196 190 F CA 0.835 58.858 58.000 0.040 0.000 0.969 190 F CB -0.751 38.269 39.000 0.033 0.000 1.106 190 F HN 0.570 nan 8.300 nan 0.000 0.594 191 G N 1.697 110.586 108.800 0.147 0.000 2.213 191 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.236 191 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.236 191 G C 1.332 176.273 174.900 0.069 0.000 0.991 191 G CA 0.214 45.385 45.100 0.119 0.000 0.629 191 G HN 0.889 nan 8.290 nan 0.000 0.517 192 A N 0.351 123.206 122.820 0.059 0.000 1.917 192 A HA 0.137 4.456 4.320 -0.002 0.000 0.219 192 A C 2.295 179.884 177.584 0.008 0.000 1.182 192 A CA 2.233 54.285 52.037 0.025 0.000 0.633 192 A CB -0.385 18.623 19.000 0.014 0.000 0.819 192 A HN 0.921 nan 8.150 nan 0.000 0.448 193 I N 0.054 120.637 120.570 0.023 0.000 2.194 193 I HA -0.344 3.825 4.170 -0.002 0.000 0.246 193 I C 2.648 178.772 176.117 0.012 0.000 1.093 193 I CA 1.726 63.038 61.300 0.020 0.000 1.355 193 I CB -0.462 37.560 38.000 0.036 0.000 1.046 193 I HN 0.410 nan 8.210 nan 0.000 0.413 194 Q N -0.075 119.750 119.800 0.042 0.000 2.173 194 Q HA -0.279 4.060 4.340 -0.002 0.000 0.208 194 Q C 2.386 178.369 176.000 -0.030 0.000 0.989 194 Q CA 2.284 58.107 55.803 0.033 0.000 0.872 194 Q CB -0.403 28.352 28.738 0.028 0.000 0.909 194 Q HN 0.718 nan 8.270 nan 0.000 0.420 195 S N -0.591 115.087 115.700 -0.037 0.000 2.447 195 S HA -0.108 4.361 4.470 -0.002 0.000 0.233 195 S C 1.830 176.379 174.600 -0.084 0.000 1.006 195 S CA 1.452 59.618 58.200 -0.057 0.000 0.957 195 S CB -0.279 62.895 63.200 -0.043 0.000 0.773 195 S HN 0.445 nan 8.310 nan 0.000 0.507 196 T N 0.845 115.336 114.554 -0.105 0.000 2.988 196 T HA 0.316 4.664 4.350 -0.002 0.000 0.240 196 T C 1.822 176.384 174.700 -0.229 0.000 1.014 196 T CA 0.220 62.206 62.100 -0.191 0.000 1.155 196 T CB -0.705 68.028 68.868 -0.225 0.000 0.872 196 T HN 0.242 nan 8.240 nan 0.000 0.440 197 L N 1.746 122.880 121.223 -0.148 0.000 2.081 197 L HA -0.125 4.214 4.340 -0.002 0.000 0.212 197 L C 2.528 179.341 176.870 -0.096 0.000 1.080 197 L CA 1.519 56.296 54.840 -0.105 0.000 0.754 197 L CB -0.663 41.413 42.059 0.027 0.000 0.893 197 L HN 0.307 nan 8.230 nan 0.000 0.433 198 N N -0.770 117.870 118.700 -0.101 0.000 2.609 198 N HA -0.098 4.641 4.740 -0.002 0.000 0.190 198 N C 0.729 176.157 175.510 -0.136 0.000 1.157 198 N CA 0.667 53.625 53.050 -0.153 0.000 0.918 198 N CB 0.312 38.691 38.487 -0.179 0.000 0.978 198 N HN 0.142 nan 8.380 nan 0.000 0.448 199 V N -1.989 117.887 119.914 -0.062 0.000 3.392 199 V HA 0.114 4.233 4.120 -0.002 0.000 0.294 199 V C 1.182 177.225 176.094 -0.084 0.000 1.561 199 V CA 0.734 63.077 62.300 0.071 0.000 1.056 199 V CB 0.454 32.301 31.823 0.039 0.000 0.882 199 V HN 0.350 nan 8.190 nan 0.000 0.440 200 T N -2.245 112.159 114.554 -0.250 0.000 3.001 200 T HA 0.243 4.592 4.350 -0.002 0.000 0.251 200 T C 1.377 175.996 174.700 -0.136 0.000 1.040 200 T CA 0.255 62.085 62.100 -0.449 0.000 0.985 200 T CB 0.681 69.009 68.868 -0.900 0.000 1.011 200 T HN 0.156 nan 8.240 nan 0.000 0.509 201 L N 1.629 122.838 121.223 -0.022 0.000 2.042 201 L HA 0.284 4.623 4.340 -0.002 0.000 0.204 201 L C 2.140 179.075 176.870 0.109 0.000 1.130 201 L CA 1.179 56.008 54.840 -0.017 0.000 0.779 201 L CB -1.040 40.945 42.059 -0.123 0.000 0.918 201 L HN 0.595 nan 8.230 nan 0.000 0.450 202 W N 0.039 121.245 121.300 -0.157 0.000 2.782 202 W HA -0.046 4.613 4.660 -0.002 0.000 0.248 202 W C 1.076 177.538 176.519 -0.095 0.000 1.265 202 W CA 0.837 58.105 57.345 -0.128 0.000 1.316 202 W CB -1.766 27.615 29.460 -0.131 0.000 1.140 202 W HN 0.493 nan 8.180 nan 0.000 0.665 203 S N -1.793 113.859 115.700 -0.080 0.000 2.749 203 S HA 0.179 4.648 4.470 -0.002 0.000 0.246 203 S C 0.621 175.211 174.600 -0.018 0.000 1.023 203 S CA -0.451 57.607 58.200 -0.236 0.000 1.012 203 S CB -1.030 61.991 63.200 -0.298 0.000 0.942 203 S HN 0.020 nan 8.310 nan 0.000 0.531 204 F N 2.082 122.071 119.950 0.064 0.000 2.721 204 F HA 0.534 5.060 4.527 -0.002 0.000 0.301 204 F C 0.592 176.501 175.800 0.181 0.000 1.096 204 F CA -2.005 56.122 58.000 0.212 0.000 1.308 204 F CB -0.066 39.129 39.000 0.325 0.000 1.086 204 F HN 0.172 nan 8.300 nan 0.000 0.587 205 I N 0.878 121.635 120.570 0.312 0.000 3.148 205 I HA -0.098 4.071 4.170 -0.002 0.000 0.317 205 I C 1.331 177.672 176.117 0.373 0.000 1.237 205 I CA 1.833 63.287 61.300 0.256 0.000 1.423 205 I CB -0.424 37.657 38.000 0.136 0.000 1.352 205 I HN 0.454 nan 8.210 nan 0.000 0.526 206 G N 3.653 112.705 108.800 0.420 0.000 3.724 206 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.212 206 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.212 206 G C 0.755 175.789 174.900 0.224 0.000 0.928 206 G CA 0.040 45.350 45.100 0.349 0.000 0.879 206 G HN 0.498 nan 8.290 nan 0.000 0.424 207 V N 1.379 121.404 119.914 0.185 0.000 2.613 207 V HA -0.233 3.886 4.120 -0.002 0.000 0.259 207 V C 2.490 178.567 176.094 -0.030 0.000 1.099 207 V CA 2.830 65.145 62.300 0.025 0.000 1.115 207 V CB -1.065 30.684 31.823 -0.123 0.000 0.686 207 V HN 0.784 nan 8.190 nan 0.000 0.481 208 E N 2.662 122.825 120.200 -0.061 0.000 2.058 208 E HA -0.261 4.088 4.350 -0.002 0.000 0.194 208 E C 2.183 178.858 176.600 0.126 0.000 0.997 208 E CA 1.871 58.315 56.400 0.074 0.000 0.801 208 E CB -0.910 28.836 29.700 0.077 0.000 0.746 208 E HN 0.740 nan 8.360 nan 0.000 0.450 209 S N 2.154 117.894 115.700 0.067 0.000 2.409 209 S HA -0.311 4.157 4.470 -0.002 0.000 0.237 209 S C 2.281 176.903 174.600 0.037 0.000 1.060 209 S CA 1.543 59.758 58.200 0.024 0.000 1.052 209 S CB -0.726 62.482 63.200 0.014 0.000 0.871 209 S HN 0.534 nan 8.310 nan 0.000 0.465 210 A N 1.665 124.524 122.820 0.064 0.000 1.841 210 A HA -0.004 4.315 4.320 -0.002 0.000 0.214 210 A C 2.290 179.901 177.584 0.044 0.000 1.195 210 A CA 1.840 53.908 52.037 0.052 0.000 0.611 210 A CB -1.286 17.751 19.000 0.061 0.000 0.835 210 A HN 0.592 nan 8.150 nan 0.000 0.443 211 S N -0.831 114.913 115.700 0.075 0.000 2.653 211 S HA 0.067 4.536 4.470 -0.002 0.000 0.233 211 S C 0.983 175.592 174.600 0.015 0.000 0.970 211 S CA 0.974 59.196 58.200 0.036 0.000 0.947 211 S CB -0.356 62.820 63.200 -0.040 0.000 0.771 211 S HN 0.237 nan 8.310 nan 0.000 0.538 212 V N 0.370 120.290 119.914 0.010 0.000 3.645 212 V HA 0.378 4.497 4.120 -0.002 0.000 0.275 212 V C 2.249 178.323 176.094 -0.033 0.000 1.356 212 V CA 0.657 62.936 62.300 -0.036 0.000 1.051 212 V CB -0.007 31.780 31.823 -0.061 0.000 0.828 212 V HN 0.513 nan 8.190 nan 0.000 0.441 213 A N 0.334 123.144 122.820 -0.017 0.000 1.878 213 A HA 0.297 4.616 4.320 -0.002 0.000 0.213 213 A C 2.302 179.872 177.584 -0.024 0.000 1.192 213 A CA 1.694 53.722 52.037 -0.016 0.000 0.619 213 A CB -0.560 18.436 19.000 -0.007 0.000 0.837 213 A HN 0.761 nan 8.150 nan 0.000 0.446 214 A N -0.895 121.908 122.820 -0.028 0.000 2.710 214 A HA -0.375 3.944 4.320 -0.002 0.000 0.309 214 A C 2.645 180.208 177.584 -0.035 0.000 4.150 214 A CA 3.291 55.304 52.037 -0.041 0.000 0.983 214 A CB -2.126 16.835 19.000 -0.064 0.000 0.655 214 A HN 1.717 nan 8.150 nan 0.000 0.407 215 G N -2.172 106.607 108.800 -0.035 0.000 2.743 215 G HA2 0.033 3.992 3.960 -0.002 0.000 0.222 215 G HA3 0.033 3.992 3.960 -0.002 0.000 0.222 215 G C 0.797 175.690 174.900 -0.012 0.000 1.085 215 G CA 1.919 47.005 45.100 -0.024 0.000 0.716 215 G HN 1.520 nan 8.290 nan 0.000 0.604 216 V N -0.263 119.643 119.914 -0.013 0.000 3.293 216 V HA 0.204 4.322 4.120 -0.002 0.000 0.381 216 V C 0.012 176.096 176.094 -0.016 0.000 1.465 216 V CA -0.524 61.771 62.300 -0.010 0.000 1.331 216 V CB 0.761 32.581 31.823 -0.005 0.000 1.160 216 V HN 0.055 nan 8.190 nan 0.000 0.565 217 V N -0.265 119.638 119.914 -0.018 0.000 2.973 217 V HA 0.398 4.517 4.120 -0.002 0.000 0.314 217 V C 1.343 177.425 176.094 -0.020 0.000 1.066 217 V CA -0.581 61.709 62.300 -0.018 0.000 1.021 217 V CB 1.956 33.768 31.823 -0.017 0.000 1.076 217 V HN 0.305 nan 8.190 nan 0.000 0.462 218 K N 0.909 121.298 120.400 -0.019 0.000 2.094 218 K HA -0.049 4.270 4.320 -0.002 0.000 0.220 218 K C 0.519 177.103 176.600 -0.027 0.000 0.919 218 K CA 1.051 57.326 56.287 -0.019 0.000 1.034 218 K CB -0.184 32.306 32.500 -0.017 0.000 0.810 218 K HN 0.673 nan 8.250 nan 0.000 0.603 219 N N 1.793 120.474 118.700 -0.032 0.000 2.401 219 N HA 0.045 4.784 4.740 -0.002 0.000 0.255 219 N C -2.181 173.295 175.510 -0.056 0.000 1.110 219 N CA -1.029 51.993 53.050 -0.047 0.000 0.949 219 N CB 1.383 39.840 38.487 -0.051 0.000 1.110 219 N HN 0.164 nan 8.380 nan 0.000 0.490 220 P HA -0.178 nan 4.420 nan 0.000 0.210 220 P C 1.028 178.271 177.300 -0.094 0.000 1.185 220 P CA 1.341 64.400 63.100 -0.069 0.000 0.924 220 P CB 0.262 31.915 31.700 -0.077 0.000 0.786 221 K N -0.678 119.636 120.400 -0.144 0.000 2.304 221 K HA -0.196 4.123 4.320 -0.002 0.000 0.204 221 K C 2.053 178.496 176.600 -0.261 0.000 1.044 221 K CA 1.372 57.510 56.287 -0.248 0.000 0.932 221 K CB -0.142 32.169 32.500 -0.315 0.000 0.735 221 K HN 0.207 nan 8.250 nan 0.000 0.468 222 R N -0.884 119.529 120.500 -0.145 0.000 2.144 222 R HA 0.098 4.437 4.340 -0.002 0.000 0.195 222 R C 1.844 178.128 176.300 -0.026 0.000 1.077 222 R CA 0.173 56.223 56.100 -0.083 0.000 1.120 222 R CB -0.294 29.967 30.300 -0.066 0.000 1.060 222 R HN 0.054 nan 8.270 nan 0.000 0.520 223 N N 1.080 119.764 118.700 -0.028 0.000 2.120 223 N HA -0.108 4.631 4.740 -0.002 0.000 0.188 223 N C 1.885 177.398 175.510 0.004 0.000 1.024 223 N CA 1.021 54.066 53.050 -0.008 0.000 0.852 223 N CB -0.282 38.197 38.487 -0.013 0.000 1.003 223 N HN -0.051 nan 8.380 nan 0.000 0.424 224 V N 1.678 121.590 119.914 -0.002 0.000 2.307 224 V HA -0.116 4.003 4.120 -0.002 0.000 0.245 224 V C -0.794 175.322 176.094 0.037 0.000 1.045 224 V CA 1.638 63.946 62.300 0.013 0.000 1.024 224 V CB -1.147 30.678 31.823 0.004 0.000 0.651 224 V HN 0.232 nan 8.190 nan 0.000 0.449 225 P HA -0.130 nan 4.420 nan 0.000 0.215 225 P C 1.782 179.123 177.300 0.068 0.000 1.153 225 P CA 1.590 64.740 63.100 0.084 0.000 0.853 225 P CB -0.078 31.723 31.700 0.169 0.000 0.788 226 I N -0.865 119.742 120.570 0.062 0.000 2.335 226 I HA -0.259 3.909 4.170 -0.002 0.000 0.251 226 I C 2.304 178.443 176.117 0.038 0.000 1.129 226 I CA 1.367 62.696 61.300 0.048 0.000 1.402 226 I CB -0.851 37.173 38.000 0.040 0.000 1.069 226 I HN -0.076 nan 8.210 nan 0.000 0.424 227 A N 1.158 123.999 122.820 0.036 0.000 1.858 227 A HA -0.243 4.076 4.320 -0.002 0.000 0.216 227 A C 2.527 180.136 177.584 0.042 0.000 1.190 227 A CA 2.617 54.675 52.037 0.034 0.000 0.617 227 A CB -1.250 17.768 19.000 0.031 0.000 0.827 227 A HN 0.504 nan 8.150 nan 0.000 0.443 228 T N -1.592 112.992 114.554 0.050 0.000 2.777 228 T HA -0.065 4.284 4.350 -0.002 0.000 0.266 228 T C 1.845 176.566 174.700 0.034 0.000 1.040 228 T CA 1.529 63.659 62.100 0.050 0.000 1.141 228 T CB -0.566 68.340 68.868 0.064 0.000 0.868 228 T HN 0.301 nan 8.240 nan 0.000 0.444 229 I N 1.682 122.271 120.570 0.030 0.000 2.286 229 I HA 0.017 4.186 4.170 -0.002 0.000 0.248 229 I C 3.005 179.139 176.117 0.028 0.000 1.115 229 I CA 1.208 62.520 61.300 0.021 0.000 1.392 229 I CB -0.773 37.240 38.000 0.021 0.000 1.065 229 I HN 0.477 nan 8.210 nan 0.000 0.418 230 G N 0.521 109.340 108.800 0.031 0.000 2.433 230 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.216 230 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.216 230 G C 1.737 176.659 174.900 0.036 0.000 1.186 230 G CA 0.824 45.942 45.100 0.030 0.000 0.779 230 G HN 0.481 nan 8.290 nan 0.000 0.543 231 G N 0.166 108.992 108.800 0.044 0.000 2.440 231 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.218 231 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.218 231 G C 1.765 176.721 174.900 0.093 0.000 1.154 231 G CA 1.321 46.456 45.100 0.059 0.000 0.767 231 G HN 0.349 nan 8.290 nan 0.000 0.552 232 V N 0.702 120.678 119.914 0.102 0.000 2.346 232 V HA -0.028 4.091 4.120 -0.002 0.000 0.244 232 V C 2.892 179.090 176.094 0.174 0.000 1.037 232 V CA 1.236 63.636 62.300 0.166 0.000 1.029 232 V CB -0.374 31.462 31.823 0.021 0.000 0.663 232 V HN 0.329 nan 8.190 nan 0.000 0.454 233 L N -0.690 120.587 121.223 0.090 0.000 2.079 233 L HA -0.200 4.139 4.340 -0.002 0.000 0.210 233 L C 2.348 179.249 176.870 0.053 0.000 1.081 233 L CA 1.545 56.429 54.840 0.074 0.000 0.752 233 L CB -0.485 41.598 42.059 0.040 0.000 0.896 233 L HN 0.276 nan 8.230 nan 0.000 0.433 234 I N -0.077 120.513 120.570 0.033 0.000 2.090 234 I HA -0.326 3.843 4.170 -0.002 0.000 0.236 234 I C 2.753 178.828 176.117 -0.070 0.000 1.064 234 I CA 1.498 62.791 61.300 -0.012 0.000 1.324 234 I CB -0.364 37.629 38.000 -0.012 0.000 1.044 234 I HN 0.226 nan 8.210 nan 0.000 0.399 235 A N 0.447 123.215 122.820 -0.088 0.000 2.019 235 A HA -0.160 4.159 4.320 -0.002 0.000 0.219 235 A C 2.430 179.758 177.584 -0.426 0.000 1.164 235 A CA 1.781 53.612 52.037 -0.343 0.000 0.644 235 A CB -0.716 18.080 19.000 -0.340 0.000 0.805 235 A HN 0.522 nan 8.150 nan 0.000 0.449 236 A N -0.660 122.161 122.820 0.002 0.000 1.845 236 A HA -0.027 4.292 4.320 -0.002 0.000 0.215 236 A C 2.199 179.803 177.584 0.034 0.000 1.195 236 A CA 1.778 53.935 52.037 0.202 0.000 0.616 236 A CB -1.080 18.128 19.000 0.347 0.000 0.832 236 A HN 0.411 nan 8.150 nan 0.000 0.443 237 V N -0.760 119.146 119.914 -0.014 0.000 2.515 237 V HA -0.278 3.841 4.120 -0.002 0.000 0.250 237 V C 2.642 178.661 176.094 -0.126 0.000 1.058 237 V CA 1.719 63.979 62.300 -0.066 0.000 1.064 237 V CB -0.921 30.874 31.823 -0.048 0.000 0.675 237 V HN 0.736 nan 8.190 nan 0.000 0.461 238 C N -0.860 118.344 119.300 -0.160 0.000 2.388 238 C HA -0.262 4.197 4.460 -0.002 0.000 0.277 238 C C 2.442 177.303 174.990 -0.215 0.000 1.210 238 C CA 1.482 60.380 59.018 -0.201 0.000 1.743 238 C CB -1.120 26.443 27.740 -0.295 0.000 2.047 238 C HN 0.617 nan 8.230 nan 0.000 0.458 239 Y N 0.002 120.128 120.300 -0.291 0.000 2.081 239 Y HA -0.274 4.275 4.550 -0.002 0.000 0.280 239 Y C 2.628 178.005 175.900 -0.872 0.000 1.163 239 Y CA 1.559 59.320 58.100 -0.566 0.000 1.135 239 Y CB -0.536 37.532 38.460 -0.652 0.000 0.970 239 Y HN 0.145 nan 8.280 nan 0.000 0.498 240 V N 0.251 119.811 119.914 -0.590 0.000 2.270 240 V HA -0.314 3.805 4.120 -0.002 0.000 0.245 240 V C 2.178 178.048 176.094 -0.373 0.000 1.043 240 V CA 1.755 63.681 62.300 -0.624 0.000 1.014 240 V CB -0.673 30.944 31.823 -0.344 0.000 0.645 240 V HN 0.395 nan 8.190 nan 0.000 0.447 241 L N 0.605 121.692 121.223 -0.227 0.000 2.201 241 L HA -0.141 4.198 4.340 -0.002 0.000 0.212 241 L C 2.691 179.490 176.870 -0.118 0.000 1.105 241 L CA 1.649 56.407 54.840 -0.137 0.000 0.775 241 L CB -0.526 41.487 42.059 -0.077 0.000 0.913 241 L HN 0.588 nan 8.230 nan 0.000 0.440 242 S N -1.249 114.367 115.700 -0.140 0.000 2.345 242 S HA -0.162 4.307 4.470 -0.002 0.000 0.219 242 S C 1.834 176.358 174.600 -0.126 0.000 1.031 242 S CA 1.251 59.392 58.200 -0.098 0.000 0.984 242 S CB -0.875 62.286 63.200 -0.065 0.000 0.874 242 S HN 0.486 nan 8.310 nan 0.000 0.451 243 T N 0.124 114.569 114.554 -0.180 0.000 3.272 243 T HA 0.187 4.536 4.350 -0.002 0.000 0.250 243 T C 1.154 175.761 174.700 -0.155 0.000 1.082 243 T CA 0.566 62.591 62.100 -0.125 0.000 0.968 243 T CB -0.628 68.248 68.868 0.013 0.000 1.015 243 T HN 0.596 nan 8.240 nan 0.000 0.563 244 T N -1.844 112.581 114.554 -0.214 0.000 3.086 244 T HA 0.488 4.836 4.350 -0.002 0.000 0.250 244 T C 1.290 175.772 174.700 -0.364 0.000 1.074 244 T CA 0.091 62.042 62.100 -0.248 0.000 0.988 244 T CB -0.030 68.702 68.868 -0.227 0.000 0.988 244 T HN 0.435 nan 8.240 nan 0.000 0.530 245 A N 1.661 124.338 122.820 -0.238 0.000 3.074 245 A HA 0.573 4.892 4.320 -0.002 0.000 0.251 245 A C 0.288 177.794 177.584 -0.130 0.000 1.695 245 A CA -0.412 51.506 52.037 -0.198 0.000 1.343 245 A CB -1.154 17.778 19.000 -0.113 0.000 1.078 245 A HN 0.713 nan 8.150 nan 0.000 0.644 246 I N 2.229 122.712 120.570 -0.145 0.000 2.537 246 I HA 0.187 4.356 4.170 -0.002 0.000 0.276 246 I C 1.069 177.412 176.117 0.377 0.000 1.063 246 I CA -0.585 60.744 61.300 0.049 0.000 1.144 246 I CB 0.900 38.903 38.000 0.004 0.000 1.252 246 I HN 0.662 nan 8.210 nan 0.000 0.480 247 M N 4.541 124.404 119.600 0.438 0.000 2.257 247 M HA 0.417 4.896 4.480 -0.002 0.000 0.260 247 M C 0.996 177.443 176.300 0.245 0.000 1.102 247 M CA 2.049 57.645 55.300 0.494 0.000 1.169 247 M CB -0.174 32.724 32.600 0.496 0.000 1.323 247 M HN 0.437 nan 8.290 nan 0.000 0.447 248 G N -0.266 108.633 108.800 0.165 0.000 3.755 248 G HA2 0.185 4.144 3.960 -0.002 0.000 0.180 248 G HA3 0.185 4.144 3.960 -0.002 0.000 0.180 248 G C 0.440 175.383 174.900 0.072 0.000 1.374 248 G CA -0.420 44.746 45.100 0.109 0.000 0.860 248 G HN 0.198 nan 8.290 nan 0.000 0.743 249 M N 1.209 120.843 119.600 0.057 0.000 2.216 249 M HA 0.144 4.623 4.480 -0.002 0.000 0.317 249 M C 1.083 177.395 176.300 0.020 0.000 1.015 249 M CA 0.985 56.301 55.300 0.026 0.000 1.045 249 M CB 0.413 33.012 32.600 -0.001 0.000 1.538 249 M HN 0.238 nan 8.290 nan 0.000 0.440 250 I N 0.064 120.640 120.570 0.011 0.000 4.881 250 I HA 0.134 4.303 4.170 -0.002 0.000 0.319 250 I C -1.858 174.258 176.117 -0.001 0.000 1.205 250 I CA -0.142 61.162 61.300 0.007 0.000 1.368 250 I CB -1.551 36.458 38.000 0.015 0.000 1.484 250 I HN 0.314 nan 8.210 nan 0.000 0.486 251 P HA 0.060 nan 4.420 nan 0.000 0.261 251 P C -0.531 176.764 177.300 -0.010 0.000 1.173 251 P CA 1.083 64.181 63.100 -0.003 0.000 0.760 251 P CB 0.362 32.061 31.700 -0.001 0.000 0.783 274 A N 1.809 124.667 122.820 0.065 0.000 2.263 274 A HA 0.568 4.886 4.320 -0.002 0.000 0.205 274 A C 2.103 179.739 177.584 0.087 0.000 1.226 274 A CA 1.213 53.289 52.037 0.066 0.000 0.810 274 A CB -1.419 17.615 19.000 0.056 0.000 0.784 274 A HN 0.858 nan 8.150 nan 0.000 0.486 275 G N -0.191 108.671 108.800 0.103 0.000 2.432 275 G HA2 -0.028 3.931 3.960 -0.002 0.000 0.219 275 G HA3 -0.028 3.931 3.960 -0.002 0.000 0.219 275 G C 1.639 176.652 174.900 0.188 0.000 1.135 275 G CA 1.042 46.220 45.100 0.130 0.000 0.767 275 G HN 0.724 nan 8.290 nan 0.000 0.550 276 A N 0.879 123.858 122.820 0.265 0.000 1.940 276 A HA 0.007 4.326 4.320 -0.002 0.000 0.219 276 A C 2.368 180.062 177.584 0.185 0.000 1.176 276 A CA 1.256 53.567 52.037 0.457 0.000 0.631 276 A CB -0.323 18.922 19.000 0.409 0.000 0.814 276 A HN 0.400 nan 8.150 nan 0.000 0.446 277 I N -0.705 119.938 120.570 0.121 0.000 2.226 277 I HA -0.191 3.978 4.170 -0.002 0.000 0.245 277 I C 2.243 178.410 176.117 0.083 0.000 1.100 277 I CA 1.040 62.404 61.300 0.107 0.000 1.374 277 I CB -0.333 37.708 38.000 0.068 0.000 1.057 277 I HN 0.146 nan 8.210 nan 0.000 0.413 278 V N 0.943 120.872 119.914 0.025 0.000 2.626 278 V HA -0.198 3.920 4.120 -0.002 0.000 0.252 278 V C 2.470 178.395 176.094 -0.283 0.000 1.067 278 V CA 2.125 64.392 62.300 -0.056 0.000 1.081 278 V CB -0.343 31.505 31.823 0.042 0.000 0.686 278 V HN 0.547 nan 8.190 nan 0.000 0.468 279 S N -0.462 115.065 115.700 -0.288 0.000 2.446 279 S HA -0.091 4.378 4.470 -0.002 0.000 0.225 279 S C 1.811 176.142 174.600 -0.449 0.000 1.016 279 S CA 0.915 58.793 58.200 -0.537 0.000 0.943 279 S CB -0.483 62.262 63.200 -0.759 0.000 0.786 279 S HN 0.589 nan 8.310 nan 0.000 0.508 280 F N 2.080 121.787 119.950 -0.405 0.000 2.149 280 F HA 0.087 4.613 4.527 -0.002 0.000 0.294 280 F C 2.117 177.821 175.800 -0.161 0.000 1.095 280 F CA 0.509 58.360 58.000 -0.249 0.000 1.276 280 F CB -0.777 38.135 39.000 -0.146 0.000 1.023 280 F HN 0.215 nan 8.300 nan 0.000 0.480 281 C N 1.058 120.197 119.300 -0.270 0.000 2.422 281 C HA 0.039 4.497 4.460 -0.002 0.000 0.286 281 C C 3.043 177.839 174.990 -0.323 0.000 1.412 281 C CA 0.950 59.762 59.018 -0.343 0.000 1.786 281 C CB -2.078 25.617 27.740 -0.075 0.000 1.835 281 C HN 0.664 nan 8.230 nan 0.000 0.533 282 A N 0.340 122.981 122.820 -0.298 0.000 1.878 282 A HA 0.251 4.570 4.320 -0.002 0.000 0.213 282 A C 2.362 179.797 177.584 -0.248 0.000 1.192 282 A CA 1.444 53.369 52.037 -0.187 0.000 0.619 282 A CB -0.846 18.075 19.000 -0.133 0.000 0.837 282 A HN 0.492 nan 8.150 nan 0.000 0.446 283 A N 0.016 122.734 122.820 -0.169 0.000 1.972 283 A HA 0.190 4.509 4.320 -0.002 0.000 0.219 283 A C 2.322 179.703 177.584 -0.338 0.000 1.169 283 A CA 1.783 53.666 52.037 -0.257 0.000 0.635 283 A CB -0.827 18.118 19.000 -0.092 0.000 0.810 283 A HN 1.059 nan 8.150 nan 0.000 0.446 284 A N -0.615 121.924 122.820 -0.469 0.000 2.172 284 A HA 0.207 4.526 4.320 -0.002 0.000 0.216 284 A C 2.144 179.558 177.584 -0.284 0.000 1.154 284 A CA 1.509 53.283 52.037 -0.437 0.000 0.701 284 A CB -0.929 17.671 19.000 -0.666 0.000 0.789 284 A HN 0.636 nan 8.150 nan 0.000 0.465 285 G N -1.246 107.380 108.800 -0.289 0.000 2.408 285 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.215 285 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.215 285 G C 1.284 176.020 174.900 -0.274 0.000 1.156 285 G CA 1.191 46.143 45.100 -0.247 0.000 0.793 285 G HN 0.508 nan 8.290 nan 0.000 0.535 286 C N 0.468 119.572 119.300 -0.327 0.000 2.576 286 C HA 0.334 4.793 4.460 -0.002 0.000 0.267 286 C C 2.455 177.300 174.990 -0.242 0.000 1.364 286 C CA -0.261 58.568 59.018 -0.315 0.000 1.723 286 C CB -1.262 26.272 27.740 -0.343 0.000 1.778 286 C HN 0.467 nan 8.230 nan 0.000 0.572 287 L N 0.704 121.818 121.223 -0.182 0.000 2.127 287 L HA 0.126 4.465 4.340 -0.002 0.000 0.203 287 L C 2.426 179.178 176.870 -0.198 0.000 1.080 287 L CA 1.760 56.584 54.840 -0.026 0.000 0.768 287 L CB -0.437 41.618 42.059 -0.006 0.000 0.924 287 L HN 0.403 nan 8.230 nan 0.000 0.444 288 G N -1.904 106.769 108.800 -0.212 0.000 2.441 288 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.212 288 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.212 288 G C 1.596 176.332 174.900 -0.275 0.000 1.164 288 G CA 0.614 45.594 45.100 -0.201 0.000 0.811 288 G HN 0.365 nan 8.290 nan 0.000 0.535 289 S N 0.199 115.740 115.700 -0.265 0.000 2.377 289 S HA -0.145 4.324 4.470 -0.002 0.000 0.224 289 S C 2.328 176.760 174.600 -0.279 0.000 1.042 289 S CA 1.308 59.378 58.200 -0.217 0.000 1.086 289 S CB -0.464 62.575 63.200 -0.268 0.000 0.995 289 S HN 0.144 nan 8.310 nan 0.000 0.428 290 L N 1.085 121.998 121.223 -0.516 0.000 2.021 290 L HA -0.160 4.179 4.340 -0.002 0.000 0.215 290 L C 2.634 179.216 176.870 -0.480 0.000 1.074 290 L CA 2.354 56.855 54.840 -0.564 0.000 0.760 290 L CB -1.899 39.654 42.059 -0.844 0.000 0.889 290 L HN 0.599 nan 8.230 nan 0.000 0.433 291 G N -1.171 107.170 108.800 -0.764 0.000 2.446 291 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.217 291 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.217 291 G C 1.542 176.418 174.900 -0.040 0.000 1.168 291 G CA 0.816 45.783 45.100 -0.222 0.000 0.771 291 G HN 0.537 nan 8.290 nan 0.000 0.551 292 G N -0.205 108.572 108.800 -0.038 0.000 2.476 292 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.218 292 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.218 292 G C 1.594 176.574 174.900 0.133 0.000 1.164 292 G CA 0.979 46.119 45.100 0.066 0.000 0.768 292 G HN 0.448 nan 8.290 nan 0.000 0.560 293 W N 1.453 122.706 121.300 -0.078 0.000 2.453 293 W HA 0.038 4.697 4.660 -0.002 0.000 0.289 293 W C 3.202 179.719 176.519 -0.003 0.000 1.215 293 W CA 1.966 59.288 57.345 -0.038 0.000 1.297 293 W CB -0.797 28.611 29.460 -0.086 0.000 1.113 293 W HN 0.296 nan 8.180 nan 0.000 0.551 294 T N -1.278 113.387 114.554 0.185 0.000 2.759 294 T HA -0.282 4.067 4.350 -0.002 0.000 0.269 294 T C 1.965 176.727 174.700 0.103 0.000 1.042 294 T CA 1.470 63.646 62.100 0.127 0.000 1.140 294 T CB -0.874 68.054 68.868 0.100 0.000 0.864 294 T HN 0.206 nan 8.240 nan 0.000 0.455 295 L N 0.270 121.542 121.223 0.083 0.000 1.989 295 L HA -0.050 4.289 4.340 -0.002 0.000 0.211 295 L C 2.679 179.576 176.870 0.045 0.000 1.071 295 L CA 1.638 56.511 54.840 0.055 0.000 0.749 295 L CB -0.485 41.598 42.059 0.039 0.000 0.890 295 L HN 0.273 nan 8.230 nan 0.000 0.431 296 L N -0.220 121.010 121.223 0.012 0.000 2.187 296 L HA -0.203 4.136 4.340 -0.002 0.000 0.213 296 L C 2.831 179.774 176.870 0.121 0.000 1.100 296 L CA 1.500 56.338 54.840 -0.004 0.000 0.765 296 L CB -1.468 40.481 42.059 -0.184 0.000 0.904 296 L HN 0.400 nan 8.230 nan 0.000 0.437 297 A N 0.315 123.234 122.820 0.165 0.000 1.873 297 A HA -0.078 4.241 4.320 -0.002 0.000 0.215 297 A C 2.431 180.227 177.584 0.353 0.000 1.186 297 A CA 1.611 53.856 52.037 0.347 0.000 0.616 297 A CB -1.051 18.091 19.000 0.237 0.000 0.823 297 A HN 0.405 nan 8.150 nan 0.000 0.442 298 G N -1.388 107.501 108.800 0.148 0.000 2.422 298 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.218 298 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.218 298 G C 1.610 176.505 174.900 -0.008 0.000 1.140 298 G CA 0.925 46.039 45.100 0.024 0.000 0.775 298 G HN 0.424 nan 8.290 nan 0.000 0.545 299 Q N 0.512 120.325 119.800 0.021 0.000 1.916 299 Q HA -0.048 4.291 4.340 -0.002 0.000 0.203 299 Q C 2.135 178.101 176.000 -0.056 0.000 0.983 299 Q CA 1.304 57.100 55.803 -0.013 0.000 0.846 299 Q CB -1.144 27.587 28.738 -0.013 0.000 0.909 299 Q HN 0.322 nan 8.270 nan 0.000 0.427 300 T N 0.986 115.503 114.554 -0.062 0.000 3.722 300 T HA 0.291 4.640 4.350 -0.002 0.000 0.247 300 T C 0.613 175.154 174.700 -0.266 0.000 1.004 300 T CA 0.529 62.519 62.100 -0.183 0.000 0.947 300 T CB -0.240 68.474 68.868 -0.256 0.000 1.114 300 T HN 0.351 nan 8.240 nan 0.000 0.633 301 A N 0.813 123.507 122.820 -0.209 0.000 1.690 301 A HA 0.308 4.627 4.320 -0.002 0.000 0.213 301 A C 1.445 179.049 177.584 0.035 0.000 1.785 301 A CA -0.370 51.565 52.037 -0.170 0.000 1.230 301 A CB 0.057 18.830 19.000 -0.378 0.000 1.175 301 A HN 0.229 nan 8.150 nan 0.000 0.468 302 K N 1.593 121.985 120.400 -0.012 0.000 2.589 302 K HA 0.385 4.704 4.320 -0.002 0.000 0.192 302 K C 1.315 177.932 176.600 0.028 0.000 1.029 302 K CA 0.882 57.215 56.287 0.077 0.000 1.031 302 K CB -0.397 32.128 32.500 0.042 0.000 0.821 302 K HN 0.494 nan 8.250 nan 0.000 0.502 303 A N 0.520 123.314 122.820 -0.043 0.000 1.919 303 A HA 0.262 4.581 4.320 -0.002 0.000 0.211 303 A C 1.927 179.496 177.584 -0.024 0.000 1.310 303 A CA 0.667 52.682 52.037 -0.037 0.000 0.651 303 A CB -0.595 18.372 19.000 -0.056 0.000 0.996 303 A HN 0.208 nan 8.150 nan 0.000 0.479 304 A N -0.067 122.576 122.820 -0.295 0.000 2.247 304 A HA 0.424 4.742 4.320 -0.002 0.000 0.205 304 A C 1.818 179.410 177.584 0.012 0.000 1.261 304 A CA 1.181 53.088 52.037 -0.218 0.000 0.853 304 A CB -0.850 17.632 19.000 -0.863 0.000 0.793 304 A HN 0.858 nan 8.150 nan 0.000 0.487 305 A N -0.201 122.666 122.820 0.078 0.000 1.903 305 A HA -0.011 4.308 4.320 -0.002 0.000 0.213 305 A C 1.730 179.356 177.584 0.071 0.000 1.185 305 A CA 1.388 53.497 52.037 0.120 0.000 0.628 305 A CB -0.105 18.976 19.000 0.136 0.000 0.830 305 A HN 0.477 nan 8.150 nan 0.000 0.446 306 D N 0.016 120.458 120.400 0.069 0.000 2.290 306 D HA -0.058 4.581 4.640 -0.002 0.000 0.224 306 D C 0.749 177.089 176.300 0.066 0.000 0.967 306 D CA 0.942 54.972 54.000 0.051 0.000 0.893 306 D CB -0.705 40.114 40.800 0.033 0.000 1.037 306 D HN 0.204 nan 8.370 nan 0.000 0.477 307 D N 0.136 120.596 120.400 0.099 0.000 2.393 307 D HA 0.019 4.658 4.640 -0.002 0.000 0.220 307 D C 1.328 177.718 176.300 0.150 0.000 0.974 307 D CA 1.192 55.245 54.000 0.089 0.000 0.931 307 D CB 0.239 41.081 40.800 0.070 0.000 0.889 307 D HN 0.396 nan 8.370 nan 0.000 0.512 308 G N -1.823 107.095 108.800 0.197 0.000 2.070 308 G HA2 0.168 4.127 3.960 -0.002 0.000 0.076 308 G HA3 0.168 4.127 3.960 -0.002 0.000 0.076 308 G C -0.877 174.038 174.900 0.025 0.000 0.735 308 G CA -0.482 44.729 45.100 0.184 0.000 1.158 308 G HN 0.145 nan 8.290 nan 0.000 0.393 309 L N -0.674 120.418 121.223 -0.218 0.000 2.250 309 L HA 0.864 5.203 4.340 -0.002 0.000 0.252 309 L C 0.232 176.823 176.870 -0.467 0.000 1.054 309 L CA -0.805 53.750 54.840 -0.474 0.000 0.856 309 L CB 2.568 44.222 42.059 -0.674 0.000 1.443 309 L HN 0.586 nan 8.230 nan 0.000 0.427 310 F N -1.159 118.524 119.950 -0.444 0.000 1.731 310 F HA 0.214 4.740 4.527 -0.002 0.000 0.250 310 F C -2.123 173.571 175.800 -0.176 0.000 1.219 310 F CA -0.154 57.701 58.000 -0.242 0.000 1.314 310 F CB 0.315 39.202 39.000 -0.188 0.000 1.890 310 F HN 0.308 nan 8.300 nan 0.000 0.277 311 P HA 0.451 nan 4.420 nan 0.000 0.280 311 P C -2.795 174.289 177.300 -0.359 0.000 1.272 311 P CA -1.428 61.596 63.100 -0.127 0.000 0.819 311 P CB 1.245 32.835 31.700 -0.184 0.000 1.122 312 P HA 0.520 nan 4.420 nan 0.000 0.299 312 P C 0.012 177.096 177.300 -0.361 0.000 1.329 312 P CA -0.557 62.205 63.100 -0.564 0.000 1.073 312 P CB 1.484 32.981 31.700 -0.339 0.000 1.510 313 I N -2.872 117.489 120.570 -0.349 0.000 4.889 313 I HA -0.333 3.836 4.170 -0.002 0.000 0.048 313 I C 0.240 176.137 176.117 -0.367 0.000 0.699 313 I CA 0.664 61.685 61.300 -0.465 0.000 0.222 313 I CB -1.677 35.842 38.000 -0.801 0.000 0.398 313 I HN 0.392 nan 8.210 nan 0.000 0.163 314 F N 2.422 122.276 119.950 -0.161 0.000 2.506 314 F HA 0.607 5.133 4.527 -0.002 0.000 0.371 314 F C 0.947 176.699 175.800 -0.079 0.000 1.078 314 F CA -0.237 57.693 58.000 -0.116 0.000 1.195 314 F CB -0.013 38.904 39.000 -0.139 0.000 1.099 314 F HN 0.875 nan 8.300 nan 0.000 0.548 315 A N 2.985 125.901 122.820 0.160 0.000 6.319 315 A HA -0.261 4.058 4.320 -0.002 0.000 0.281 315 A C 1.455 179.111 177.584 0.120 0.000 2.002 315 A CA 0.734 52.825 52.037 0.090 0.000 0.752 315 A CB -0.590 18.421 19.000 0.018 0.000 1.139 315 A HN 0.855 nan 8.150 nan 0.000 0.391 316 R N -0.861 119.682 120.500 0.071 0.000 2.310 316 R HA 0.285 4.624 4.340 -0.002 0.000 0.202 316 R C 0.570 176.890 176.300 0.033 0.000 0.933 316 R CA 0.831 56.951 56.100 0.033 0.000 1.054 316 R CB -0.923 29.387 30.300 0.018 0.000 0.985 316 R HN 1.441 nan 8.270 nan 0.000 0.489 317 V N 2.353 122.294 119.914 0.045 0.000 5.981 317 V HA -0.259 3.860 4.120 -0.002 0.000 0.233 317 V C -0.036 176.076 176.094 0.030 0.000 0.653 317 V CA 0.039 62.362 62.300 0.038 0.000 0.677 317 V CB -1.921 29.921 31.823 0.032 0.000 0.632 317 V HN 0.368 nan 8.190 nan 0.000 0.464 318 N N 2.464 121.184 118.700 0.033 0.000 2.292 318 N HA 0.075 4.814 4.740 -0.002 0.000 0.242 318 N C 0.484 176.006 175.510 0.020 0.000 1.243 318 N CA 0.462 53.527 53.050 0.026 0.000 0.851 318 N CB 0.314 38.819 38.487 0.031 0.000 1.093 318 N HN 0.684 nan 8.380 nan 0.000 0.450 319 K N 1.466 121.871 120.400 0.009 0.000 2.591 319 K HA 0.089 4.408 4.320 -0.002 0.000 0.280 319 K C 0.522 177.120 176.600 -0.004 0.000 0.964 319 K CA 1.071 57.357 56.287 -0.001 0.000 1.014 319 K CB 0.109 32.602 32.500 -0.012 0.000 0.877 319 K HN 0.685 nan 8.250 nan 0.000 0.502 320 A N 1.206 124.021 122.820 -0.010 0.000 3.232 320 A HA -0.000 4.319 4.320 -0.002 0.000 0.238 320 A C 0.714 178.331 177.584 0.056 0.000 1.344 320 A CA 0.638 52.668 52.037 -0.013 0.000 0.875 320 A CB -2.353 16.595 19.000 -0.086 0.000 1.070 320 A HN 1.682 nan 8.150 nan 0.000 0.653 321 G N -1.473 107.356 108.800 0.047 0.000 2.642 321 G HA2 0.355 4.314 3.960 -0.002 0.000 0.231 321 G HA3 0.355 4.314 3.960 -0.002 0.000 0.231 321 G C 0.569 175.504 174.900 0.058 0.000 1.338 321 G CA 1.746 46.880 45.100 0.057 0.000 0.883 321 G HN 3.100 nan 8.290 nan 0.000 0.570 322 T N -3.787 110.801 114.554 0.056 0.000 0.543 322 T HA 0.079 4.428 4.350 -0.002 0.000 0.774 322 T C -2.302 172.428 174.700 0.049 0.000 0.992 322 T CA 0.874 63.006 62.100 0.054 0.000 4.075 322 T CB -0.930 67.979 68.868 0.068 0.000 2.302 322 T HN 1.403 nan 8.240 nan 0.000 0.398 323 P HA 0.496 nan 4.420 nan 0.000 0.251 323 P C 1.334 178.669 177.300 0.058 0.000 1.718 323 P CA -0.579 62.551 63.100 0.050 0.000 1.119 323 P CB 0.846 32.560 31.700 0.024 0.000 1.762 324 V N 3.034 122.986 119.914 0.064 0.000 2.252 324 V HA -0.326 3.793 4.120 -0.002 0.000 0.249 324 V C 2.443 178.587 176.094 0.084 0.000 1.056 324 V CA 2.896 65.238 62.300 0.071 0.000 1.022 324 V CB -1.262 30.599 31.823 0.063 0.000 0.641 324 V HN 0.430 nan 8.190 nan 0.000 0.445 325 A N -0.072 122.802 122.820 0.090 0.000 1.972 325 A HA -0.076 4.242 4.320 -0.002 0.000 0.219 325 A C 2.341 180.009 177.584 0.140 0.000 1.169 325 A CA 1.932 54.038 52.037 0.114 0.000 0.635 325 A CB -1.171 17.895 19.000 0.110 0.000 0.810 325 A HN 0.562 nan 8.150 nan 0.000 0.446 326 G N 0.372 109.239 108.800 0.112 0.000 2.552 326 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.216 326 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.216 326 G C 1.430 176.299 174.900 -0.051 0.000 1.240 326 G CA 1.261 46.351 45.100 -0.018 0.000 0.796 326 G HN 0.464 nan 8.290 nan 0.000 0.568 327 L N 0.406 121.624 121.223 -0.008 0.000 2.141 327 L HA 0.102 4.441 4.340 -0.002 0.000 0.209 327 L C 2.741 179.582 176.870 -0.048 0.000 1.094 327 L CA 0.539 55.369 54.840 -0.017 0.000 0.763 327 L CB -0.457 41.612 42.059 0.017 0.000 0.908 327 L HN 0.152 nan 8.230 nan 0.000 0.437 328 I N -0.178 120.412 120.570 0.034 0.000 2.163 328 I HA -0.319 3.849 4.170 -0.002 0.000 0.243 328 I C 2.523 178.664 176.117 0.039 0.000 1.085 328 I CA 1.644 63.002 61.300 0.097 0.000 1.347 328 I CB -0.097 38.024 38.000 0.202 0.000 1.044 328 I HN 0.237 nan 8.210 nan 0.000 0.408 329 I N 0.117 120.719 120.570 0.053 0.000 2.286 329 I HA -0.263 3.906 4.170 -0.002 0.000 0.248 329 I C 2.418 178.494 176.117 -0.068 0.000 1.115 329 I CA 1.229 62.559 61.300 0.051 0.000 1.392 329 I CB -0.080 38.020 38.000 0.166 0.000 1.065 329 I HN 0.050 nan 8.210 nan 0.000 0.418 330 V N 0.830 120.677 119.914 -0.111 0.000 2.490 330 V HA -0.210 3.909 4.120 -0.002 0.000 0.250 330 V C 2.549 178.454 176.094 -0.314 0.000 1.061 330 V CA 1.942 64.118 62.300 -0.206 0.000 1.064 330 V CB -1.373 30.403 31.823 -0.077 0.000 0.670 330 V HN 0.568 nan 8.190 nan 0.000 0.461 331 G N 0.265 108.800 108.800 -0.441 0.000 2.418 331 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.217 331 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.217 331 G C 1.546 176.182 174.900 -0.439 0.000 1.158 331 G CA 1.070 45.634 45.100 -0.893 0.000 0.771 331 G HN 0.514 nan 8.290 nan 0.000 0.545 332 I N 0.368 120.870 120.570 -0.114 0.000 2.202 332 I HA -0.084 4.085 4.170 -0.002 0.000 0.242 332 I C 2.599 178.717 176.117 0.002 0.000 1.091 332 I CA 0.490 61.845 61.300 0.093 0.000 1.368 332 I CB -0.223 37.849 38.000 0.121 0.000 1.058 332 I HN 0.054 nan 8.210 nan 0.000 0.410 333 L N -0.118 121.005 121.223 -0.166 0.000 2.131 333 L HA -0.219 4.120 4.340 -0.002 0.000 0.210 333 L C 2.500 179.356 176.870 -0.023 0.000 1.092 333 L CA 1.825 56.484 54.840 -0.301 0.000 0.759 333 L CB -0.453 41.002 42.059 -1.006 0.000 0.903 333 L HN 0.408 nan 8.230 nan 0.000 0.435 334 M N -1.262 118.334 119.600 -0.006 0.000 2.216 334 M HA -0.145 4.334 4.480 -0.002 0.000 0.264 334 M C 2.186 178.609 176.300 0.204 0.000 1.080 334 M CA 1.497 56.950 55.300 0.256 0.000 1.153 334 M CB 0.078 32.737 32.600 0.099 0.000 1.356 334 M HN 0.030 nan 8.290 nan 0.000 0.432 335 T N 0.823 115.453 114.554 0.126 0.000 2.777 335 T HA -0.069 4.280 4.350 -0.002 0.000 0.266 335 T C 1.654 176.469 174.700 0.191 0.000 1.040 335 T CA 1.249 63.464 62.100 0.192 0.000 1.141 335 T CB -0.282 68.786 68.868 0.333 0.000 0.868 335 T HN 0.324 nan 8.240 nan 0.000 0.444 336 I N 0.121 120.809 120.570 0.197 0.000 2.208 336 I HA -0.186 3.983 4.170 -0.002 0.000 0.245 336 I C 1.962 178.217 176.117 0.230 0.000 1.097 336 I CA 1.450 62.864 61.300 0.190 0.000 1.363 336 I CB -0.222 37.886 38.000 0.179 0.000 1.051 336 I HN 0.218 nan 8.210 nan 0.000 0.413 337 F N 0.742 120.767 119.950 0.124 0.000 2.512 337 F HA -0.080 4.445 4.527 -0.002 0.000 0.296 337 F C 2.500 178.335 175.800 0.059 0.000 1.110 337 F CA 0.948 59.004 58.000 0.093 0.000 1.446 337 F CB -0.194 38.870 39.000 0.106 0.000 1.092 337 F HN 0.009 nan 8.300 nan 0.000 0.554 338 Q N 0.475 120.336 119.800 0.102 0.000 2.291 338 Q HA -0.083 4.256 4.340 -0.002 0.000 0.206 338 Q C 0.852 176.822 176.000 -0.050 0.000 0.976 338 Q CA 1.029 56.836 55.803 0.006 0.000 0.875 338 Q CB -0.216 28.569 28.738 0.078 0.000 0.927 338 Q HN 0.458 nan 8.270 nan 0.000 0.450 339 L N -2.890 118.316 121.223 -0.028 0.000 3.108 339 L HA 0.419 4.758 4.340 -0.002 0.000 0.251 339 L C 0.567 177.393 176.870 -0.075 0.000 1.315 339 L CA -0.067 54.751 54.840 -0.038 0.000 1.048 339 L CB 0.912 42.980 42.059 0.015 0.000 1.432 339 L HN -0.239 nan 8.230 nan 0.000 0.543 340 S N -1.682 113.905 115.700 -0.188 0.000 2.551 340 S HA 0.036 4.505 4.470 -0.002 0.000 0.236 340 S C 0.798 175.180 174.600 -0.363 0.000 0.915 340 S CA 0.142 58.225 58.200 -0.195 0.000 1.525 340 S CB 0.272 63.413 63.200 -0.099 0.000 1.256 340 S HN 0.384 nan 8.310 nan 0.000 0.641 341 S N 1.435 116.775 115.700 -0.600 0.000 2.526 341 S HA 0.426 4.895 4.470 -0.002 0.000 0.245 341 S C 1.208 175.631 174.600 -0.295 0.000 1.103 341 S CA -0.366 57.488 58.200 -0.576 0.000 1.095 341 S CB -0.550 61.994 63.200 -1.093 0.000 0.826 341 S HN 0.406 nan 8.310 nan 0.000 0.468 342 I N 0.759 121.210 120.570 -0.198 0.000 2.076 342 I HA -0.105 4.064 4.170 -0.002 0.000 0.237 342 I C 0.915 176.989 176.117 -0.073 0.000 1.059 342 I CA 0.832 62.065 61.300 -0.111 0.000 1.317 342 I CB -0.216 37.740 38.000 -0.074 0.000 1.037 342 I HN 0.408 nan 8.210 nan 0.000 0.398 343 S N -1.641 114.025 115.700 -0.057 0.000 3.260 343 S HA -0.040 4.429 4.470 -0.002 0.000 0.791 343 S C -2.434 172.132 174.600 -0.057 0.000 0.945 343 S CA -1.144 57.021 58.200 -0.058 0.000 1.263 343 S CB -0.966 62.189 63.200 -0.075 0.000 0.870 343 S HN -0.001 nan 8.310 nan 0.000 0.273 344 P HA 0.350 nan 4.420 nan 0.000 0.270 344 P C 0.528 177.813 177.300 -0.026 0.000 1.221 344 P CA 0.538 63.627 63.100 -0.019 0.000 0.788 344 P CB 0.199 31.895 31.700 -0.007 0.000 0.904 345 N N -0.442 118.263 118.700 0.009 0.000 3.718 345 N HA 0.078 4.817 4.740 -0.002 0.000 0.172 345 N C -1.315 174.231 175.510 0.061 0.000 0.951 345 N CA 0.935 54.009 53.050 0.041 0.000 2.341 345 N CB -1.460 37.036 38.487 0.014 0.000 1.165 345 N HN 0.630 nan 8.380 nan 0.000 0.703 346 A N -0.448 122.403 122.820 0.051 0.000 1.740 346 A HA -0.077 4.242 4.320 -0.002 0.000 0.325 346 A C 1.358 178.968 177.584 0.043 0.000 1.042 346 A CA 1.056 53.127 52.037 0.058 0.000 0.567 346 A CB -2.071 16.985 19.000 0.092 0.000 1.864 346 A HN 1.221 nan 8.150 nan 0.000 0.275 347 T N -0.591 113.982 114.554 0.031 0.000 3.052 347 T HA 0.118 4.467 4.350 -0.002 0.000 0.270 347 T C 0.770 175.485 174.700 0.024 0.000 1.147 347 T CA 1.960 64.071 62.100 0.019 0.000 1.089 347 T CB -0.106 68.772 68.868 0.016 0.000 0.875 347 T HN 0.910 nan 8.240 nan 0.000 0.541 348 K N -0.273 120.151 120.400 0.040 0.000 2.308 348 K HA 0.342 4.661 4.320 -0.002 0.000 0.268 348 K C -0.774 175.858 176.600 0.054 0.000 0.992 348 K CA -1.020 55.290 56.287 0.038 0.000 0.836 348 K CB 1.334 33.861 32.500 0.045 0.000 1.507 348 K HN 0.098 nan 8.250 nan 0.000 0.394 349 E N 0.524 120.746 120.200 0.037 0.000 2.459 349 E HA -0.069 4.280 4.350 -0.002 0.000 0.264 349 E C -0.852 175.856 176.600 0.180 0.000 1.055 349 E CA 0.868 57.277 56.400 0.016 0.000 0.957 349 E CB -0.021 29.635 29.700 -0.072 0.000 0.952 349 E HN 0.388 nan 8.360 nan 0.000 0.448 350 F N 0.056 120.089 119.950 0.140 0.000 2.781 350 F HA -0.133 4.393 4.527 -0.002 0.000 0.350 350 F C 0.850 176.694 175.800 0.074 0.000 1.048 350 F CA 0.978 59.066 58.000 0.146 0.000 1.134 350 F CB -1.408 37.660 39.000 0.114 0.000 1.440 350 F HN 0.662 nan 8.300 nan 0.000 0.799 351 G N 0.412 109.350 108.800 0.231 0.000 3.605 351 G HA2 0.402 4.361 3.960 -0.002 0.000 0.277 351 G HA3 0.402 4.361 3.960 -0.002 0.000 0.277 351 G C 1.156 176.147 174.900 0.151 0.000 1.093 351 G CA 0.293 45.486 45.100 0.155 0.000 0.821 351 G HN 0.647 nan 8.290 nan 0.000 0.532 352 L N -1.713 119.619 121.223 0.182 0.000 4.914 352 L HA -0.270 4.068 4.340 -0.002 0.000 0.443 352 L C 1.428 178.392 176.870 0.155 0.000 1.095 352 L CA 0.753 55.718 54.840 0.209 0.000 0.975 352 L CB -1.026 41.168 42.059 0.225 0.000 1.914 352 L HN 0.296 nan 8.230 nan 0.000 0.837 353 V N -3.426 116.527 119.914 0.064 0.000 3.110 353 V HA -0.001 4.118 4.120 -0.002 0.000 0.233 353 V C 1.510 177.522 176.094 -0.137 0.000 1.550 353 V CA 1.196 63.458 62.300 -0.064 0.000 1.186 353 V CB 1.266 33.106 31.823 0.028 0.000 1.052 353 V HN 0.250 nan 8.190 nan 0.000 0.452 354 S N 0.475 116.155 115.700 -0.034 0.000 2.470 354 S HA -0.075 4.394 4.470 -0.002 0.000 0.225 354 S C 2.066 176.596 174.600 -0.118 0.000 1.006 354 S CA 1.653 59.798 58.200 -0.091 0.000 0.934 354 S CB 0.086 63.265 63.200 -0.035 0.000 0.778 354 S HN 0.773 nan 8.310 nan 0.000 0.517 355 S N 0.131 115.830 115.700 -0.001 0.000 2.460 355 S HA 0.067 4.536 4.470 -0.002 0.000 0.226 355 S C 1.773 176.402 174.600 0.049 0.000 1.057 355 S CA 0.710 58.980 58.200 0.116 0.000 0.948 355 S CB -0.676 62.774 63.200 0.416 0.000 0.822 355 S HN 0.269 nan 8.310 nan 0.000 0.512 356 V N 3.804 123.684 119.914 -0.057 0.000 2.282 356 V HA -0.215 3.904 4.120 -0.002 0.000 0.249 356 V C 3.176 178.924 176.094 -0.577 0.000 1.057 356 V CA 2.249 64.400 62.300 -0.247 0.000 1.032 356 V CB -1.596 30.031 31.823 -0.326 0.000 0.645 356 V HN 0.810 nan 8.190 nan 0.000 0.447 357 S N -0.189 115.127 115.700 -0.639 0.000 2.440 357 S HA -0.172 4.297 4.470 -0.002 0.000 0.238 357 S C 1.849 176.330 174.600 -0.199 0.000 1.010 357 S CA 1.677 59.540 58.200 -0.562 0.000 0.972 357 S CB -0.635 62.292 63.200 -0.456 0.000 0.774 357 S HN 0.343 nan 8.310 nan 0.000 0.501 358 V N 2.304 122.132 119.914 -0.143 0.000 2.261 358 V HA -0.152 3.966 4.120 -0.002 0.000 0.246 358 V C 2.481 178.638 176.094 0.104 0.000 1.047 358 V CA 2.095 64.379 62.300 -0.026 0.000 1.015 358 V CB -0.784 31.039 31.823 0.000 0.000 0.642 358 V HN 0.546 nan 8.190 nan 0.000 0.446 359 I N -0.833 119.820 120.570 0.139 0.000 2.151 359 I HA -0.266 3.903 4.170 -0.002 0.000 0.243 359 I C 2.427 178.748 176.117 0.339 0.000 1.080 359 I CA 1.688 63.123 61.300 0.225 0.000 1.339 359 I CB -0.713 37.432 38.000 0.241 0.000 1.039 359 I HN 0.173 nan 8.210 nan 0.000 0.409 360 F N 1.741 121.740 119.950 0.081 0.000 2.111 360 F HA -0.285 4.241 4.527 -0.002 0.000 0.300 360 F C 2.961 178.821 175.800 0.101 0.000 1.088 360 F CA 1.913 59.954 58.000 0.069 0.000 1.243 360 F CB -1.926 37.087 39.000 0.021 0.000 0.996 360 F HN 0.264 nan 8.300 nan 0.000 0.483 361 T N -2.176 112.558 114.554 0.300 0.000 3.163 361 T HA -0.016 4.333 4.350 -0.002 0.000 0.260 361 T C 1.858 176.814 174.700 0.426 0.000 1.156 361 T CA 0.416 62.677 62.100 0.268 0.000 1.072 361 T CB -0.283 68.670 68.868 0.141 0.000 0.937 361 T HN 0.093 nan 8.240 nan 0.000 0.528 362 L N 0.924 122.328 121.223 0.302 0.000 2.168 362 L HA 0.097 4.436 4.340 -0.002 0.000 0.203 362 L C 2.845 179.896 176.870 0.301 0.000 1.078 362 L CA 0.920 55.921 54.840 0.268 0.000 0.780 362 L CB -0.972 41.180 42.059 0.156 0.000 0.939 362 L HN 0.262 nan 8.230 nan 0.000 0.451 363 V N 0.170 120.185 119.914 0.168 0.000 2.250 363 V HA -0.211 3.908 4.120 -0.002 0.000 0.250 363 V C -0.121 175.936 176.094 -0.060 0.000 1.060 363 V CA 1.779 64.055 62.300 -0.039 0.000 1.030 363 V CB -2.531 29.181 31.823 -0.183 0.000 0.643 363 V HN 0.270 nan 8.190 nan 0.000 0.445 364 P HA -0.150 nan 4.420 nan 0.000 0.218 364 P C 1.496 178.880 177.300 0.141 0.000 1.146 364 P CA 1.537 64.712 63.100 0.125 0.000 0.813 364 P CB -0.198 31.639 31.700 0.229 0.000 0.778 365 Y N -1.005 119.376 120.300 0.133 0.000 2.145 365 Y HA -0.167 4.382 4.550 -0.002 0.000 0.286 365 Y C 2.470 178.416 175.900 0.077 0.000 1.145 365 Y CA 0.973 59.122 58.100 0.082 0.000 1.148 365 Y CB -0.951 37.548 38.460 0.065 0.000 0.981 365 Y HN -0.108 nan 8.280 nan 0.000 0.507 366 L N -0.487 120.893 121.223 0.260 0.000 1.943 366 L HA -0.329 4.010 4.340 -0.002 0.000 0.215 366 L C 2.156 179.259 176.870 0.388 0.000 1.074 366 L CA 2.165 57.185 54.840 0.299 0.000 0.759 366 L CB -0.979 41.221 42.059 0.235 0.000 0.888 366 L HN 0.366 nan 8.230 nan 0.000 0.433 367 Y N 0.073 120.495 120.300 0.202 0.000 2.097 367 Y HA -0.320 4.229 4.550 -0.002 0.000 0.282 367 Y C 2.701 178.658 175.900 0.096 0.000 1.152 367 Y CA 1.029 59.224 58.100 0.158 0.000 1.136 367 Y CB -0.886 37.650 38.460 0.127 0.000 0.975 367 Y HN 0.337 nan 8.280 nan 0.000 0.498 368 T N 0.092 114.766 114.554 0.200 0.000 2.397 368 T HA -0.375 3.974 4.350 -0.002 0.000 0.236 368 T C 1.858 176.529 174.700 -0.048 0.000 1.393 368 T CA 2.137 64.222 62.100 -0.026 0.000 1.148 368 T CB -1.037 67.866 68.868 0.058 0.000 0.853 368 T HN 0.493 nan 8.240 nan 0.000 0.419 369 C N 1.572 120.831 119.300 -0.067 0.000 2.403 369 C HA 0.022 4.481 4.460 -0.002 0.000 0.282 369 C C 3.140 178.199 174.990 0.114 0.000 1.297 369 C CA 0.239 59.114 59.018 -0.239 0.000 1.785 369 C CB -1.745 25.440 27.740 -0.925 0.000 1.963 369 C HN 0.729 nan 8.230 nan 0.000 0.507 370 A N 0.199 123.234 122.820 0.359 0.000 1.972 370 A HA 0.113 4.432 4.320 -0.002 0.000 0.219 370 A C 2.297 179.987 177.584 0.178 0.000 1.169 370 A CA 1.974 54.259 52.037 0.414 0.000 0.635 370 A CB -0.527 18.678 19.000 0.341 0.000 0.810 370 A HN 0.592 nan 8.150 nan 0.000 0.446 371 A N -1.045 121.832 122.820 0.095 0.000 1.943 371 A HA 0.234 4.552 4.320 -0.002 0.000 0.213 371 A C 1.668 179.244 177.584 -0.014 0.000 1.181 371 A CA 0.914 52.970 52.037 0.032 0.000 0.653 371 A CB -0.406 18.617 19.000 0.040 0.000 0.833 371 A HN 0.550 nan 8.150 nan 0.000 0.451 372 L N -0.303 120.877 121.223 -0.071 0.000 2.786 372 L HA 0.122 4.461 4.340 -0.002 0.000 0.250 372 L C 0.843 177.719 176.870 0.011 0.000 1.151 372 L CA 0.989 55.766 54.840 -0.104 0.000 0.910 372 L CB -0.361 41.592 42.059 -0.176 0.000 1.082 372 L HN 0.401 nan 8.230 nan 0.000 0.433 373 L N -3.904 117.354 121.223 0.059 0.000 2.885 373 L HA 0.105 4.444 4.340 -0.002 0.000 0.263 373 L C 1.323 178.188 176.870 -0.009 0.000 1.033 373 L CA -0.260 54.643 54.840 0.105 0.000 1.051 373 L CB -0.319 41.822 42.059 0.137 0.000 1.860 373 L HN -0.104 nan 8.230 nan 0.000 0.544 374 L N 0.816 122.004 121.223 -0.058 0.000 2.549 374 L HA 0.011 4.350 4.340 -0.002 0.000 0.230 374 L C 1.308 178.064 176.870 -0.190 0.000 1.162 374 L CA 1.726 56.437 54.840 -0.214 0.000 0.834 374 L CB -0.275 41.721 42.059 -0.104 0.000 0.947 374 L HN 0.231 nan 8.230 nan 0.000 0.452 375 L N -2.421 118.801 121.223 -0.002 0.000 3.410 375 L HA 0.339 4.678 4.340 -0.002 0.000 0.309 375 L C 1.200 178.148 176.870 0.129 0.000 1.254 375 L CA 0.208 55.128 54.840 0.134 0.000 1.048 375 L CB 0.307 42.433 42.059 0.113 0.000 1.442 375 L HN 0.116 nan 8.230 nan 0.000 0.615 376 G N -2.102 106.770 108.800 0.120 0.000 3.899 376 G HA2 0.050 4.009 3.960 -0.002 0.000 0.293 376 G HA3 0.050 4.009 3.960 -0.002 0.000 0.293 376 G C 0.859 175.925 174.900 0.277 0.000 1.054 376 G CA -0.246 44.991 45.100 0.228 0.000 0.846 376 G HN 0.185 nan 8.290 nan 0.000 0.525 377 H N 1.157 120.293 119.070 0.110 0.000 2.400 377 H HA -0.247 4.308 4.556 -0.002 0.000 0.279 377 H C 2.029 177.381 175.328 0.040 0.000 1.139 377 H CA 2.298 58.380 56.048 0.057 0.000 1.126 377 H CB 0.207 29.982 29.762 0.023 0.000 1.352 377 H HN 0.473 nan 8.280 nan 0.000 0.468 378 G N -2.162 106.742 108.800 0.174 0.000 4.908 378 G HA2 0.114 4.073 3.960 -0.002 0.000 0.267 378 G HA3 0.114 4.073 3.960 -0.002 0.000 0.267 378 G C -1.007 173.979 174.900 0.144 0.000 0.958 378 G CA -0.216 44.936 45.100 0.086 0.000 0.743 378 G HN 0.577 nan 8.290 nan 0.000 0.410 379 H N -0.795 118.298 119.070 0.039 0.000 3.207 379 H HA -0.185 4.369 4.556 -0.002 0.000 0.291 379 H C -0.248 175.128 175.328 0.079 0.000 0.818 379 H CA 0.202 56.300 56.048 0.084 0.000 0.900 379 H CB -0.303 29.526 29.762 0.113 0.000 1.515 379 H HN 0.355 nan 8.280 nan 0.000 0.315 380 F N 2.560 122.563 119.950 0.088 0.000 2.706 380 F HA 0.153 4.679 4.527 -0.002 0.000 0.315 380 F C 1.428 177.280 175.800 0.086 0.000 1.286 380 F CA 0.912 58.958 58.000 0.077 0.000 1.424 380 F CB 0.310 39.342 39.000 0.054 0.000 1.262 380 F HN 0.487 nan 8.300 nan 0.000 0.547 381 G N 0.639 109.599 108.800 0.267 0.000 2.733 381 G HA2 0.324 4.283 3.960 -0.002 0.000 0.297 381 G HA3 0.324 4.283 3.960 -0.002 0.000 0.297 381 G C -1.432 173.644 174.900 0.294 0.000 1.452 381 G CA -0.982 44.275 45.100 0.262 0.000 0.940 381 G HN -0.015 nan 8.290 nan 0.000 0.547 382 K N 0.202 120.711 120.400 0.181 0.000 2.109 382 K HA 0.707 5.026 4.320 -0.002 0.000 0.243 382 K C 0.443 177.053 176.600 0.016 0.000 1.006 382 K CA 0.272 56.617 56.287 0.095 0.000 0.917 382 K CB 1.546 34.075 32.500 0.048 0.000 1.081 382 K HN 1.879 nan 8.250 nan 0.000 0.468 383 A N 1.410 124.211 122.820 -0.032 0.000 1.641 383 A HA -0.166 4.153 4.320 -0.002 0.000 0.211 383 A C 0.780 178.286 177.584 -0.130 0.000 1.300 383 A CA 0.891 52.868 52.037 -0.100 0.000 0.653 383 A CB -0.948 17.959 19.000 -0.155 0.000 1.164 383 A HN 0.969 nan 8.150 nan 0.000 0.206 384 R N 2.655 123.083 120.500 -0.120 0.000 2.051 384 R HA -0.024 4.315 4.340 -0.002 0.000 0.225 384 R C -0.722 175.505 176.300 -0.122 0.000 1.155 384 R CA 1.417 57.413 56.100 -0.174 0.000 0.945 384 R CB -0.639 29.561 30.300 -0.165 0.000 0.840 384 R HN 0.563 nan 8.270 nan 0.000 0.432 385 P HA -0.141 nan 4.420 nan 0.000 0.216 385 P C 0.817 178.095 177.300 -0.037 0.000 1.150 385 P CA 1.978 65.046 63.100 -0.053 0.000 0.843 385 P CB -0.119 31.552 31.700 -0.049 0.000 0.787 386 A N -1.022 121.747 122.820 -0.085 0.000 1.851 386 A HA -0.252 4.067 4.320 -0.002 0.000 0.216 386 A C 2.084 179.672 177.584 0.006 0.000 1.195 386 A CA 1.722 53.701 52.037 -0.096 0.000 0.622 386 A CB -2.061 16.806 19.000 -0.222 0.000 0.831 386 A HN 0.111 nan 8.150 nan 0.000 0.444 387 Y N -0.404 119.912 120.300 0.027 0.000 2.333 387 Y HA -0.067 4.481 4.550 -0.002 0.000 0.290 387 Y C 2.170 178.104 175.900 0.056 0.000 1.144 387 Y CA 0.236 58.380 58.100 0.074 0.000 1.228 387 Y CB -0.569 38.046 38.460 0.257 0.000 0.985 387 Y HN 0.225 nan 8.280 nan 0.000 0.542 388 L N -1.114 120.203 121.223 0.156 0.000 2.201 388 L HA -0.170 4.168 4.340 -0.002 0.000 0.212 388 L C 2.182 179.111 176.870 0.098 0.000 1.105 388 L CA 1.256 56.154 54.840 0.097 0.000 0.775 388 L CB -0.582 41.491 42.059 0.025 0.000 0.913 388 L HN 0.276 nan 8.230 nan 0.000 0.440 389 A N -0.478 122.390 122.820 0.081 0.000 1.838 389 A HA -0.113 4.206 4.320 -0.002 0.000 0.215 389 A C 2.108 179.740 177.584 0.080 0.000 1.273 389 A CA 1.215 53.292 52.037 0.067 0.000 0.602 389 A CB -0.974 18.047 19.000 0.036 0.000 0.934 389 A HN 0.117 nan 8.150 nan 0.000 0.461 390 V N 1.211 121.167 119.914 0.071 0.000 2.313 390 V HA -0.392 3.727 4.120 -0.002 0.000 0.261 390 V C 2.869 178.982 176.094 0.031 0.000 1.096 390 V CA 3.010 65.338 62.300 0.048 0.000 1.090 390 V CB -1.871 29.990 31.823 0.064 0.000 0.683 390 V HN 0.850 nan 8.190 nan 0.000 0.452 391 T N -3.242 111.353 114.554 0.068 0.000 2.777 391 T HA -0.187 4.162 4.350 -0.002 0.000 0.266 391 T C 1.759 176.557 174.700 0.163 0.000 1.040 391 T CA 1.785 63.908 62.100 0.038 0.000 1.141 391 T CB -0.724 68.210 68.868 0.110 0.000 0.868 391 T HN 0.514 nan 8.240 nan 0.000 0.444 392 T N 2.401 117.114 114.554 0.264 0.000 2.684 392 T HA 0.033 4.382 4.350 -0.002 0.000 0.267 392 T C 1.940 176.784 174.700 0.239 0.000 1.036 392 T CA 1.223 63.521 62.100 0.331 0.000 1.148 392 T CB -0.534 68.441 68.868 0.177 0.000 0.863 392 T HN 0.326 nan 8.240 nan 0.000 0.436 393 I N 1.247 121.890 120.570 0.120 0.000 2.194 393 I HA -0.268 3.901 4.170 -0.002 0.000 0.246 393 I C 2.895 179.059 176.117 0.078 0.000 1.093 393 I CA 1.325 62.669 61.300 0.075 0.000 1.355 393 I CB -0.512 37.504 38.000 0.026 0.000 1.046 393 I HN 0.229 nan 8.210 nan 0.000 0.413 394 A N 0.398 123.217 122.820 -0.002 0.000 1.978 394 A HA -0.220 4.099 4.320 -0.002 0.000 0.220 394 A C 2.021 179.605 177.584 -0.000 0.000 1.170 394 A CA 1.546 53.526 52.037 -0.096 0.000 0.636 394 A CB -0.838 18.011 19.000 -0.252 0.000 0.810 394 A HN 0.339 nan 8.150 nan 0.000 0.448 395 F N -0.123 119.901 119.950 0.123 0.000 2.163 395 F HA -0.041 4.485 4.527 -0.002 0.000 0.297 395 F C 2.125 178.028 175.800 0.171 0.000 1.094 395 F CA 0.848 58.937 58.000 0.147 0.000 1.290 395 F CB -0.497 38.572 39.000 0.116 0.000 1.017 395 F HN 0.100 nan 8.300 nan 0.000 0.483 396 L N -1.208 120.205 121.223 0.318 0.000 1.921 396 L HA -0.314 4.025 4.340 -0.002 0.000 0.219 396 L C 2.405 179.450 176.870 0.293 0.000 1.081 396 L CA 1.994 56.980 54.840 0.244 0.000 0.771 396 L CB -1.193 40.923 42.059 0.095 0.000 0.888 396 L HN 0.138 nan 8.230 nan 0.000 0.433 397 Y N 0.304 120.661 120.300 0.095 0.000 2.064 397 Y HA -0.453 4.096 4.550 -0.002 0.000 0.262 397 Y C 2.703 178.684 175.900 0.134 0.000 1.243 397 Y CA 2.011 60.167 58.100 0.093 0.000 1.096 397 Y CB -1.069 37.403 38.460 0.020 0.000 0.915 397 Y HN 0.271 nan 8.280 nan 0.000 0.505 398 C N -0.195 119.376 119.300 0.452 0.000 2.440 398 C HA -0.130 4.329 4.460 -0.002 0.000 0.278 398 C C 2.929 178.054 174.990 0.226 0.000 1.295 398 C CA 1.152 60.359 59.018 0.316 0.000 1.738 398 C CB -1.387 26.539 27.740 0.311 0.000 1.987 398 C HN 0.709 nan 8.230 nan 0.000 0.492 399 I N -0.886 119.849 120.570 0.275 0.000 2.406 399 I HA -0.147 4.022 4.170 -0.002 0.000 0.249 399 I C 2.515 178.759 176.117 0.212 0.000 1.122 399 I CA 1.162 62.607 61.300 0.241 0.000 1.431 399 I CB -0.337 37.825 38.000 0.270 0.000 1.087 399 I HN 0.624 nan 8.210 nan 0.000 0.424 400 W N 1.618 122.932 121.300 0.024 0.000 2.378 400 W HA -0.181 4.478 4.660 -0.002 0.000 0.313 400 W C 2.255 178.726 176.519 -0.079 0.000 1.197 400 W CA 1.485 58.813 57.345 -0.028 0.000 1.304 400 W CB -0.074 29.362 29.460 -0.040 0.000 1.148 400 W HN 0.095 nan 8.180 nan 0.000 0.494 401 A N 0.115 122.969 122.820 0.056 0.000 2.277 401 A HA 0.044 4.363 4.320 -0.002 0.000 0.208 401 A C 1.306 178.850 177.584 -0.067 0.000 1.202 401 A CA 1.467 53.454 52.037 -0.082 0.000 0.762 401 A CB -0.485 18.397 19.000 -0.196 0.000 0.770 401 A HN 0.160 nan 8.150 nan 0.000 0.487 402 V N -2.653 117.231 119.914 -0.049 0.000 3.426 402 V HA 0.002 4.121 4.120 -0.002 0.000 0.271 402 V C 1.938 177.986 176.094 -0.076 0.000 1.530 402 V CA 0.745 63.031 62.300 -0.024 0.000 1.021 402 V CB 0.699 32.557 31.823 0.058 0.000 0.824 402 V HN 0.270 nan 8.190 nan 0.000 0.432 403 V N 1.190 121.025 119.914 -0.133 0.000 2.379 403 V HA 0.100 4.218 4.120 -0.002 0.000 0.245 403 V C 1.498 177.406 176.094 -0.310 0.000 1.044 403 V CA 2.088 64.263 62.300 -0.208 0.000 1.036 403 V CB 0.032 31.700 31.823 -0.258 0.000 0.664 403 V HN 0.541 nan 8.190 nan 0.000 0.453 404 G N -0.430 108.124 108.800 -0.409 0.000 3.444 404 G HA2 0.547 4.506 3.960 -0.002 0.000 0.315 404 G HA3 0.547 4.506 3.960 -0.002 0.000 0.315 404 G C -0.366 174.346 174.900 -0.313 0.000 1.079 404 G CA 0.368 45.228 45.100 -0.400 0.000 1.500 404 G HN 0.371 nan 8.290 nan 0.000 0.518 405 S N -0.484 115.057 115.700 -0.264 0.000 2.672 405 S HA 0.712 5.181 4.470 -0.002 0.000 0.271 405 S C 0.454 174.910 174.600 -0.240 0.000 1.171 405 S CA -0.080 57.960 58.200 -0.268 0.000 0.817 405 S CB 0.884 63.948 63.200 -0.228 0.000 1.150 405 S HN 0.890 nan 8.310 nan 0.000 0.478 406 G N 0.906 109.548 108.800 -0.263 0.000 2.224 406 G HA2 0.391 4.350 3.960 -0.002 0.000 0.239 406 G HA3 0.391 4.350 3.960 -0.002 0.000 0.239 406 G C 1.043 175.825 174.900 -0.196 0.000 1.240 406 G CA 0.348 45.280 45.100 -0.280 0.000 0.896 406 G HN 0.955 nan 8.290 nan 0.000 0.496 407 A N 2.649 125.339 122.820 -0.216 0.000 1.968 407 A HA 0.016 4.335 4.320 -0.002 0.000 0.217 407 A C 2.334 179.769 177.584 -0.248 0.000 1.169 407 A CA 1.716 53.631 52.037 -0.204 0.000 0.638 407 A CB -0.142 18.739 19.000 -0.198 0.000 0.812 407 A HN 0.616 nan 8.150 nan 0.000 0.446 408 K N 0.463 120.690 120.400 -0.290 0.000 2.062 408 K HA -0.047 4.272 4.320 -0.002 0.000 0.205 408 K C 1.755 178.097 176.600 -0.430 0.000 1.051 408 K CA 1.538 57.542 56.287 -0.472 0.000 0.941 408 K CB -0.272 31.982 32.500 -0.411 0.000 0.719 408 K HN 0.590 nan 8.250 nan 0.000 0.440 409 E N 0.499 120.622 120.200 -0.129 0.000 2.033 409 E HA -0.202 4.147 4.350 -0.002 0.000 0.199 409 E C 2.016 178.713 176.600 0.162 0.000 1.011 409 E CA 1.674 58.130 56.400 0.094 0.000 0.815 409 E CB -0.451 29.312 29.700 0.104 0.000 0.755 409 E HN -0.023 nan 8.360 nan 0.000 0.451 410 V N 1.603 121.559 119.914 0.070 0.000 2.237 410 V HA -0.337 3.782 4.120 -0.002 0.000 0.245 410 V C 2.479 178.691 176.094 0.195 0.000 1.046 410 V CA 2.241 64.620 62.300 0.132 0.000 1.007 410 V CB -0.720 31.135 31.823 0.052 0.000 0.638 410 V HN 0.457 nan 8.190 nan 0.000 0.445 411 M N -0.984 118.642 119.600 0.045 0.000 2.153 411 M HA -0.304 4.174 4.480 -0.002 0.000 0.253 411 M C 2.002 178.517 176.300 0.358 0.000 1.081 411 M CA 2.491 57.806 55.300 0.025 0.000 1.076 411 M CB -1.034 31.435 32.600 -0.219 0.000 1.350 411 M HN 0.372 nan 8.290 nan 0.000 0.401 412 W N 0.614 121.993 121.300 0.132 0.000 2.354 412 W HA -0.165 4.494 4.660 -0.002 0.000 0.315 412 W C 2.727 179.438 176.519 0.321 0.000 1.206 412 W CA 0.633 58.083 57.345 0.175 0.000 1.290 412 W CB -0.454 29.065 29.460 0.098 0.000 1.152 412 W HN 0.329 nan 8.180 nan 0.000 0.489 413 S N 0.534 116.638 115.700 0.674 0.000 2.368 413 S HA -0.323 4.145 4.470 -0.002 0.000 0.226 413 S C 1.420 176.294 174.600 0.456 0.000 1.044 413 S CA 1.967 60.636 58.200 0.781 0.000 1.062 413 S CB -1.036 62.538 63.200 0.622 0.000 0.931 413 S HN 0.341 nan 8.310 nan 0.000 0.440 414 F N 2.005 122.114 119.950 0.265 0.000 2.161 414 F HA -0.181 4.345 4.527 -0.002 0.000 0.300 414 F C 2.073 177.982 175.800 0.182 0.000 1.089 414 F CA 1.058 59.167 58.000 0.183 0.000 1.282 414 F CB -0.188 38.910 39.000 0.162 0.000 1.010 414 F HN -0.017 nan 8.300 nan 0.000 0.485 415 V N -0.091 120.212 119.914 0.649 0.000 2.392 415 V HA -0.340 3.779 4.120 -0.002 0.000 0.249 415 V C 2.239 178.469 176.094 0.227 0.000 1.059 415 V CA 2.416 64.990 62.300 0.457 0.000 1.051 415 V CB -1.165 30.955 31.823 0.495 0.000 0.658 415 V HN 0.429 nan 8.190 nan 0.000 0.455 416 T N 0.005 114.675 114.554 0.194 0.000 2.867 416 T HA -0.040 4.309 4.350 -0.002 0.000 0.268 416 T C 1.897 176.558 174.700 -0.065 0.000 1.057 416 T CA 1.050 63.174 62.100 0.040 0.000 1.136 416 T CB -0.179 68.674 68.868 -0.026 0.000 0.874 416 T HN 0.247 nan 8.240 nan 0.000 0.466 417 L N 0.540 121.718 121.223 -0.075 0.000 2.046 417 L HA -0.076 4.263 4.340 -0.002 0.000 0.208 417 L C 2.631 179.451 176.870 -0.085 0.000 1.077 417 L CA 1.471 56.225 54.840 -0.143 0.000 0.747 417 L CB -0.510 41.411 42.059 -0.229 0.000 0.896 417 L HN 0.388 nan 8.230 nan 0.000 0.432 418 M N -1.454 118.120 119.600 -0.042 0.000 2.159 418 M HA -0.209 4.270 4.480 -0.002 0.000 0.263 418 M C 2.304 178.632 176.300 0.046 0.000 1.063 418 M CA 1.435 56.757 55.300 0.036 0.000 1.110 418 M CB -0.489 32.195 32.600 0.139 0.000 1.374 418 M HN 0.150 nan 8.290 nan 0.000 0.411 419 V N 0.369 120.301 119.914 0.030 0.000 2.535 419 V HA -0.157 3.962 4.120 -0.002 0.000 0.246 419 V C 2.077 178.143 176.094 -0.046 0.000 1.045 419 V CA 1.128 63.436 62.300 0.013 0.000 1.058 419 V CB -0.084 31.752 31.823 0.022 0.000 0.689 419 V HN 0.318 nan 8.190 nan 0.000 0.461 420 I N -0.224 120.285 120.570 -0.101 0.000 2.052 420 I HA -0.300 3.869 4.170 -0.002 0.000 0.235 420 I C 2.351 178.283 176.117 -0.308 0.000 1.046 420 I CA 2.270 63.437 61.300 -0.221 0.000 1.308 420 I CB -0.568 37.284 38.000 -0.248 0.000 1.031 420 I HN 0.350 nan 8.210 nan 0.000 0.395 421 T N 0.715 115.181 114.554 -0.147 0.000 1.997 421 T HA -0.406 3.943 4.350 -0.002 0.000 0.161 421 T C 1.603 176.329 174.700 0.044 0.000 1.893 421 T CA 2.295 64.447 62.100 0.088 0.000 1.126 421 T CB -0.754 68.251 68.868 0.228 0.000 0.864 421 T HN 0.576 nan 8.240 nan 0.000 0.379 422 A N 0.623 123.498 122.820 0.091 0.000 2.298 422 A HA -0.065 4.254 4.320 -0.002 0.000 0.215 422 A C 1.992 179.617 177.584 0.069 0.000 1.193 422 A CA 1.596 53.697 52.037 0.107 0.000 0.697 422 A CB -0.892 18.169 19.000 0.103 0.000 0.774 422 A HN 0.677 nan 8.150 nan 0.000 0.492 423 M N -1.088 118.506 119.600 -0.010 0.000 2.563 423 M HA 0.110 4.589 4.480 -0.002 0.000 0.231 423 M C -0.296 176.057 176.300 0.089 0.000 1.136 423 M CA 0.402 55.700 55.300 -0.004 0.000 1.026 423 M CB -0.026 32.553 32.600 -0.036 0.000 1.597 423 M HN 0.544 nan 8.290 nan 0.000 0.495 424 Y N -0.449 119.866 120.300 0.025 0.000 2.928 424 Y HA 0.274 4.823 4.550 -0.002 0.000 0.390 424 Y C 1.315 177.091 175.900 -0.207 0.000 1.101 424 Y CA -0.769 57.306 58.100 -0.042 0.000 1.777 424 Y CB 0.008 38.522 38.460 0.090 0.000 1.720 424 Y HN 0.332 nan 8.280 nan 0.000 0.484 425 A N 0.290 123.018 122.820 -0.154 0.000 2.063 425 A HA -0.034 4.285 4.320 -0.002 0.000 0.211 425 A C 1.643 178.837 177.584 -0.649 0.000 1.177 425 A CA 0.014 51.622 52.037 -0.714 0.000 0.759 425 A CB -0.212 18.724 19.000 -0.106 0.000 0.857 425 A HN 0.613 nan 8.150 nan 0.000 0.468 426 L N 0.350 121.440 121.223 -0.223 0.000 2.757 426 L HA -0.003 4.336 4.340 -0.002 0.000 0.243 426 L C -0.184 176.543 176.870 -0.237 0.000 1.182 426 L CA 1.074 55.827 54.840 -0.144 0.000 0.851 426 L CB -0.583 41.480 42.059 0.006 0.000 0.989 426 L HN 0.377 nan 8.230 nan 0.000 0.457 427 N N -0.694 117.755 118.700 -0.419 0.000 2.827 427 N HA 0.081 4.820 4.740 -0.002 0.000 0.240 427 N C -1.521 173.782 175.510 -0.347 0.000 1.352 427 N CA -0.355 52.470 53.050 -0.376 0.000 0.760 427 N CB 0.664 38.886 38.487 -0.443 0.000 1.426 427 N HN 0.000 nan 8.380 nan 0.000 0.561 428 Y N 1.146 121.435 120.300 -0.018 0.000 2.602 428 Y HA 0.390 4.939 4.550 -0.002 0.000 0.373 428 Y C 0.216 176.111 175.900 -0.008 0.000 0.960 428 Y CA -0.985 57.117 58.100 0.004 0.000 1.281 428 Y CB -0.095 38.374 38.460 0.015 0.000 1.308 428 Y HN 0.339 nan 8.280 nan 0.000 0.595 429 N N 0.074 118.844 118.700 0.117 0.000 2.471 429 N HA 0.068 4.806 4.740 -0.002 0.000 0.264 429 N C 0.803 176.332 175.510 0.031 0.000 1.493 429 N CA -0.088 52.995 53.050 0.055 0.000 0.932 429 N CB 0.510 39.002 38.487 0.010 0.000 1.405 429 N HN 0.409 nan 8.380 nan 0.000 0.505 430 R N -0.120 120.417 120.500 0.062 0.000 1.950 430 R HA 0.719 5.058 4.340 -0.002 0.000 0.197 430 R C 1.529 177.878 176.300 0.081 0.000 1.471 430 R CA 0.838 56.977 56.100 0.065 0.000 1.156 430 R CB -0.390 29.964 30.300 0.091 0.000 0.905 430 R HN 0.007 nan 8.270 nan 0.000 0.489 431 L N -1.357 119.931 121.223 0.109 0.000 1.371 431 L HA 0.118 4.457 4.340 -0.002 0.000 0.032 431 L C 1.045 177.980 176.870 0.108 0.000 1.720 431 L CA 0.361 55.259 54.840 0.097 0.000 0.989 431 L CB -2.008 40.107 42.059 0.094 0.000 1.793 431 L HN 0.965 nan 8.230 nan 0.000 0.392 432 H N 0.338 119.493 119.070 0.142 0.000 3.144 432 H HA 0.529 5.084 4.556 -0.002 0.000 0.336 432 H C 1.799 177.156 175.328 0.047 0.000 1.065 432 H CA 2.414 58.522 56.048 0.100 0.000 1.338 432 H CB -0.648 29.191 29.762 0.128 0.000 1.251 432 H HN 2.639 nan 8.280 nan 0.000 0.602 433 K N -0.551 119.862 120.400 0.022 0.000 3.213 433 K HA -0.138 4.181 4.320 -0.002 0.000 0.266 433 K C 0.767 177.374 176.600 0.011 0.000 0.911 433 K CA 2.319 58.609 56.287 0.006 0.000 0.684 433 K CB -2.918 29.574 32.500 -0.015 0.000 1.402 433 K HN 2.444 nan 8.250 nan 0.000 0.465 434 N N 0.727 119.440 118.700 0.021 0.000 2.207 434 N HA 0.602 5.341 4.740 -0.002 0.000 0.223 434 N C -0.561 174.954 175.510 0.009 0.000 1.339 434 N CA 0.473 53.534 53.050 0.019 0.000 0.889 434 N CB -0.379 38.121 38.487 0.023 0.000 1.128 434 N HN 0.775 nan 8.380 nan 0.000 0.456 435 P HA 0.000 nan 4.420 nan 0.000 0.216 435 P CA 0.000 63.101 63.100 0.002 0.000 0.800 435 P CB 0.000 31.700 31.700 -0.001 0.000 0.726