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 3gkq_1_A DATA FIRST_RESID 8 DATA SEQUENCE AGIAERRTRA WAPYIDAKLG FRNHWYPVRL SAEVAEASPV PVQLLGEKVL DATA SEQUENCE LNRVDGVVHA IADRCLHRGV TLSDKVECYS KATISCWYHG WTYRWDNGKL DATA SEQUENCE VDILTNPTSV QIGRHALKTY PVREEKGLVF LFVGDQEPHD LAEDVPPGFL DATA SEQUENCE DADLAVHGQH RVVDANWRMG VENGFDAGHV FIHKSSILLD GNDIALPLGF DATA SEQUENCE APGDPEQLTR SVTGEGAPKG VFDLLGEHSV PIFEATIEGQ PAIQGHMGSK DATA SEQUENCE MVAISISVWL PGVLKVDPFP DPTLTQFEWY VPIDEGHHLY LQMLGRRVGS DATA SEQUENCE EEEARSFEAE FREKWVELAL NGFNDDDILA RRSMEPFYAD DRGWREEVLF DATA SEQUENCE ESDRAIIEWR RLASQYNRGI QTRD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.572 177.584 -0.020 0.000 1.274 8 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 8 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 9 G N 0.675 109.464 108.800 -0.019 0.000 2.443 9 G HA2 0.052 4.012 3.960 -0.000 0.000 0.219 9 G HA3 0.052 4.012 3.960 -0.000 0.000 0.219 9 G C 1.216 176.100 174.900 -0.027 0.000 1.131 9 G CA 1.533 46.619 45.100 -0.024 0.000 0.775 9 G HN 0.996 nan 8.290 nan 0.000 0.547 10 I N 1.378 121.938 120.570 -0.017 0.000 2.315 10 I HA 0.055 4.225 4.170 -0.000 0.000 0.248 10 I C 2.843 178.948 176.117 -0.020 0.000 1.117 10 I CA 1.285 62.577 61.300 -0.012 0.000 1.404 10 I CB -0.167 37.833 38.000 0.001 0.000 1.071 10 I HN 0.153 nan 8.210 nan 0.000 0.419 11 A N -0.164 122.642 122.820 -0.023 0.000 1.897 11 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 11 A C 2.330 179.863 177.584 -0.085 0.000 1.181 11 A CA 1.491 53.508 52.037 -0.034 0.000 0.620 11 A CB -0.769 18.220 19.000 -0.018 0.000 0.821 11 A HN 0.493 nan 8.150 nan 0.000 0.443 12 E N 0.659 120.812 120.200 -0.079 0.000 2.058 12 E HA -0.213 4.136 4.350 -0.000 0.000 0.194 12 E C 2.184 178.703 176.600 -0.135 0.000 0.997 12 E CA 1.323 57.658 56.400 -0.108 0.000 0.801 12 E CB -0.332 29.322 29.700 -0.076 0.000 0.746 12 E HN 0.589 nan 8.360 nan 0.000 0.450 13 R N 0.013 120.455 120.500 -0.096 0.000 2.096 13 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 13 R C 2.739 178.969 176.300 -0.118 0.000 1.127 13 R CA 1.544 57.589 56.100 -0.091 0.000 0.968 13 R CB -0.314 29.956 30.300 -0.051 0.000 0.861 13 R HN 0.132 nan 8.270 nan 0.000 0.440 14 R N 0.636 121.069 120.500 -0.112 0.000 2.090 14 R HA -0.087 4.253 4.340 -0.000 0.000 0.228 14 R C 1.818 177.923 176.300 -0.325 0.000 1.110 14 R CA 1.943 57.981 56.100 -0.103 0.000 0.973 14 R CB -0.080 30.215 30.300 -0.010 0.000 0.869 14 R HN 0.252 nan 8.270 nan 0.000 0.440 15 T N -2.439 111.790 114.554 -0.542 0.000 3.107 15 T HA 0.100 4.450 4.350 -0.000 0.000 0.249 15 T C 1.666 175.782 174.700 -0.974 0.000 1.096 15 T CA -0.088 61.275 62.100 -1.228 0.000 1.012 15 T CB -0.049 68.258 68.868 -0.933 0.000 0.977 15 T HN 0.247 nan 8.240 nan 0.000 0.527 16 R N 1.578 121.768 120.500 -0.516 0.000 2.133 16 R HA -0.168 4.172 4.340 -0.000 0.000 0.245 16 R C 2.513 178.635 176.300 -0.297 0.000 1.137 16 R CA 2.017 57.923 56.100 -0.323 0.000 0.947 16 R CB -0.944 29.238 30.300 -0.196 0.000 0.865 16 R HN 0.474 nan 8.270 nan 0.000 0.437 17 A N 0.463 123.113 122.820 -0.283 0.000 2.125 17 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 17 A C 0.944 178.533 177.584 0.010 0.000 1.156 17 A CA 1.175 53.152 52.037 -0.099 0.000 0.671 17 A CB -0.442 18.581 19.000 0.037 0.000 0.794 17 A HN 0.743 nan 8.150 nan 0.000 0.459 18 W N -3.345 117.901 121.300 -0.089 0.000 1.887 18 W HA 0.671 5.331 4.660 -0.000 0.000 0.324 18 W C 0.827 177.292 176.519 -0.089 0.000 0.892 18 W CA -0.326 56.950 57.345 -0.115 0.000 2.330 18 W CB -1.105 28.250 29.460 -0.175 0.000 1.197 18 W HN 0.224 nan 8.180 nan 0.000 0.547 19 A N 2.162 124.935 122.820 -0.079 0.000 1.908 19 A HA -0.104 4.215 4.320 -0.000 0.000 0.218 19 A C -0.111 177.467 177.584 -0.010 0.000 1.181 19 A CA 1.695 53.677 52.037 -0.092 0.000 0.627 19 A CB -1.523 17.407 19.000 -0.117 0.000 0.818 19 A HN 0.080 nan 8.150 nan 0.000 0.445 20 P HA -0.174 nan 4.420 nan 0.000 0.217 20 P C 1.426 178.826 177.300 0.166 0.000 1.150 20 P CA 1.179 64.332 63.100 0.088 0.000 0.832 20 P CB -0.170 31.577 31.700 0.079 0.000 0.787 21 Y N 0.327 120.648 120.300 0.036 0.000 2.181 21 Y HA -0.175 4.375 4.550 -0.001 0.000 0.288 21 Y C 2.020 177.788 175.900 -0.220 0.000 1.146 21 Y CA 1.358 59.453 58.100 -0.009 0.000 1.164 21 Y CB -0.966 37.419 38.460 -0.124 0.000 0.982 21 Y HN -0.169 nan 8.280 nan 0.000 0.515 22 I N 0.061 120.477 120.570 -0.257 0.000 2.361 22 I HA -0.302 3.867 4.170 -0.000 0.000 0.251 22 I C 1.519 177.480 176.117 -0.259 0.000 1.133 22 I CA 1.634 62.612 61.300 -0.537 0.000 1.413 22 I CB -0.347 37.423 38.000 -0.383 0.000 1.073 22 I HN 0.234 nan 8.210 nan 0.000 0.424 23 D N 1.057 121.391 120.400 -0.110 0.000 2.323 23 D HA 0.047 4.687 4.640 -0.000 0.000 0.209 23 D C 1.428 177.725 176.300 -0.004 0.000 0.973 23 D CA 0.472 54.455 54.000 -0.028 0.000 0.874 23 D CB 0.147 40.954 40.800 0.011 0.000 0.930 23 D HN 0.225 nan 8.370 nan 0.000 0.521 24 A N 1.202 124.006 122.820 -0.028 0.000 2.958 24 A HA 0.000 4.320 4.320 -0.000 0.000 0.247 24 A C 1.701 179.329 177.584 0.073 0.000 1.679 24 A CA -0.054 51.986 52.037 0.005 0.000 1.345 24 A CB -0.569 18.396 19.000 -0.058 0.000 1.013 24 A HN -0.007 nan 8.150 nan 0.000 0.641 25 K N -0.472 119.970 120.400 0.071 0.000 2.209 25 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 25 K C 0.884 177.636 176.600 0.253 0.000 1.048 25 K CA 1.016 57.384 56.287 0.136 0.000 0.940 25 K CB -0.045 32.508 32.500 0.088 0.000 0.729 25 K HN 0.472 nan 8.250 nan 0.000 0.451 26 L N 0.132 121.436 121.223 0.135 0.000 2.667 26 L HA 0.297 4.637 4.340 -0.000 0.000 0.232 26 L C 0.325 177.082 176.870 -0.188 0.000 1.138 26 L CA 0.930 55.787 54.840 0.028 0.000 0.921 26 L CB 0.348 42.410 42.059 0.005 0.000 1.180 26 L HN 0.410 nan 8.230 nan 0.000 0.487 27 G N -1.227 107.418 108.800 -0.258 0.000 2.660 27 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.247 27 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.247 27 G C -0.727 173.910 174.900 -0.438 0.000 1.328 27 G CA -0.660 43.953 45.100 -0.812 0.000 0.884 27 G HN -0.096 nan 8.290 nan 0.000 0.531 28 F N 0.902 120.819 119.950 -0.054 0.000 2.415 28 F HA 0.696 5.223 4.527 -0.001 0.000 0.348 28 F C 1.057 177.013 175.800 0.259 0.000 1.119 28 F CA -0.684 57.407 58.000 0.151 0.000 1.069 28 F CB 1.708 40.809 39.000 0.169 0.000 1.124 28 F HN 0.656 nan 8.300 nan 0.000 0.472 29 R N 2.336 123.057 120.500 0.369 0.000 2.560 29 R HA 0.267 4.606 4.340 -0.000 0.000 0.270 29 R C 0.068 176.434 176.300 0.110 0.000 1.074 29 R CA -0.112 56.096 56.100 0.180 0.000 1.140 29 R CB 0.361 30.713 30.300 0.087 0.000 1.073 29 R HN 0.792 nan 8.270 nan 0.000 0.527 30 N N 1.879 120.472 118.700 -0.178 0.000 2.816 30 N HA -0.175 4.564 4.740 -0.000 0.000 0.247 30 N C -1.521 173.709 175.510 -0.467 0.000 1.100 30 N CA 0.836 53.649 53.050 -0.395 0.000 0.687 30 N CB -1.224 37.226 38.487 -0.062 0.000 1.003 30 N HN 0.597 nan 8.380 nan 0.000 0.554 31 H N -1.768 117.055 119.070 -0.412 0.000 2.985 31 H HA 0.292 4.848 4.556 -0.000 0.000 0.360 31 H C -0.312 174.830 175.328 -0.310 0.000 1.221 31 H CA -0.390 55.599 56.048 -0.098 0.000 1.121 31 H CB 0.765 30.488 29.762 -0.066 0.000 1.854 31 H HN 0.029 nan 8.280 nan 0.000 0.551 32 W N 1.149 122.536 121.300 0.145 0.000 2.316 32 W HA 0.369 5.029 4.660 0.000 0.000 0.321 32 W C -0.668 175.838 176.519 -0.021 0.000 1.203 32 W CA -0.114 57.344 57.345 0.188 0.000 1.214 32 W CB 0.555 30.150 29.460 0.225 0.000 1.169 32 W HN 0.327 nan 8.180 nan 0.000 0.561 33 Y N 2.929 123.564 120.300 0.558 0.000 2.433 33 Y HA 0.335 4.885 4.550 -0.001 0.000 0.337 33 Y C -2.091 173.831 175.900 0.037 0.000 1.026 33 Y CA -2.837 55.442 58.100 0.299 0.000 1.037 33 Y CB 1.971 40.509 38.460 0.130 0.000 1.245 33 Y HN 0.113 nan 8.280 nan 0.000 0.443 34 P HA 0.164 nan 4.420 nan 0.000 0.284 34 P C 0.171 177.202 177.300 -0.449 0.000 1.253 34 P CA -0.162 62.379 63.100 -0.932 0.000 0.800 34 P CB 2.301 32.993 31.700 -1.680 0.000 0.961 35 V N 0.172 119.867 119.914 -0.364 0.000 3.539 35 V HA 0.492 4.611 4.120 -0.000 0.000 0.262 35 V C 0.647 176.553 176.094 -0.314 0.000 1.381 35 V CA 0.363 62.502 62.300 -0.270 0.000 1.060 35 V CB -0.314 31.405 31.823 -0.174 0.000 0.842 35 V HN 0.411 nan 8.190 nan 0.000 0.445 36 R N -0.534 119.801 120.500 -0.275 0.000 2.716 36 R HA 0.678 5.018 4.340 -0.000 0.000 0.271 36 R C -1.622 174.621 176.300 -0.095 0.000 1.028 36 R CA -0.627 55.371 56.100 -0.171 0.000 0.883 36 R CB 1.633 31.870 30.300 -0.104 0.000 1.250 36 R HN 0.293 nan 8.270 nan 0.000 0.465 37 L N 1.764 123.009 121.223 0.036 0.000 2.371 37 L HA 0.252 4.592 4.340 -0.000 0.000 0.272 37 L C 1.158 178.017 176.870 -0.017 0.000 1.124 37 L CA -0.221 54.623 54.840 0.008 0.000 0.816 37 L CB 1.481 43.567 42.059 0.045 0.000 1.129 37 L HN 0.792 nan 8.230 nan 0.000 0.448 38 S N 2.019 117.700 115.700 -0.032 0.000 2.380 38 S HA -0.279 4.191 4.470 -0.000 0.000 0.229 38 S C 1.927 176.512 174.600 -0.026 0.000 1.043 38 S CA 1.765 59.945 58.200 -0.033 0.000 1.038 38 S CB -0.237 62.944 63.200 -0.031 0.000 0.872 38 S HN 0.832 nan 8.310 nan 0.000 0.456 39 A N 1.078 123.890 122.820 -0.014 0.000 2.070 39 A HA -0.130 4.189 4.320 -0.000 0.000 0.220 39 A C 1.866 179.444 177.584 -0.011 0.000 1.159 39 A CA 1.296 53.326 52.037 -0.012 0.000 0.656 39 A CB -0.406 18.592 19.000 -0.004 0.000 0.800 39 A HN 0.607 nan 8.150 nan 0.000 0.453 40 E N -0.674 119.524 120.200 -0.003 0.000 2.435 40 E HA 0.064 4.414 4.350 -0.000 0.000 0.195 40 E C -0.507 176.082 176.600 -0.018 0.000 1.029 40 E CA 0.188 56.589 56.400 0.002 0.000 0.865 40 E CB 0.246 29.969 29.700 0.037 0.000 0.833 40 E HN 0.331 nan 8.360 nan 0.000 0.510 41 V N 1.910 121.803 119.914 -0.034 0.000 2.220 41 V HA 0.369 4.489 4.120 -0.000 0.000 0.265 41 V C 0.069 176.124 176.094 -0.065 0.000 1.078 41 V CA -0.587 61.679 62.300 -0.057 0.000 0.872 41 V CB 0.514 32.298 31.823 -0.065 0.000 1.121 41 V HN 0.102 nan 8.190 nan 0.000 0.460 42 A N 2.555 125.338 122.820 -0.062 0.000 2.271 42 A HA 0.673 4.993 4.320 -0.000 0.000 0.288 42 A C 0.279 177.814 177.584 -0.081 0.000 1.094 42 A CA -0.439 51.562 52.037 -0.060 0.000 0.828 42 A CB 0.564 19.538 19.000 -0.043 0.000 1.091 42 A HN 0.728 nan 8.150 nan 0.000 0.493 43 E N 0.803 120.961 120.200 -0.069 0.000 2.465 43 E HA 0.304 4.654 4.350 -0.000 0.000 0.260 43 E C 0.809 177.361 176.600 -0.080 0.000 0.980 43 E CA 1.344 57.698 56.400 -0.076 0.000 0.927 43 E CB -0.032 29.639 29.700 -0.049 0.000 0.934 43 E HN 1.900 nan 8.360 nan 0.000 0.459 44 A N 3.545 126.299 122.820 -0.111 0.000 2.748 44 A HA -0.223 4.097 4.320 -0.000 0.000 0.297 44 A C 0.531 178.066 177.584 -0.080 0.000 1.508 44 A CA 1.288 53.266 52.037 -0.099 0.000 0.799 44 A CB -1.918 17.058 19.000 -0.041 0.000 1.011 44 A HN 0.458 nan 8.150 nan 0.000 0.500 45 S N -0.263 115.372 115.700 -0.107 0.000 2.216 45 S HA 0.541 5.011 4.470 -0.000 0.000 0.156 45 S C -2.673 171.877 174.600 -0.083 0.000 1.665 45 S CA -1.102 57.058 58.200 -0.068 0.000 1.262 45 S CB 0.333 63.503 63.200 -0.050 0.000 1.207 45 S HN 0.267 nan 8.310 nan 0.000 0.427 46 P HA 0.047 nan 4.420 nan 0.000 0.261 46 P C -1.134 176.171 177.300 0.008 0.000 1.173 46 P CA 0.073 63.151 63.100 -0.037 0.000 0.760 46 P CB 0.575 32.365 31.700 0.150 0.000 0.783 47 V N 6.290 126.204 119.914 0.002 0.000 2.525 47 V HA 0.387 4.507 4.120 -0.000 0.000 0.299 47 V C -2.132 173.974 176.094 0.021 0.000 1.034 47 V CA -1.877 60.426 62.300 0.005 0.000 0.863 47 V CB 2.159 33.970 31.823 -0.020 0.000 0.999 47 V HN 0.521 nan 8.190 nan 0.000 0.423 48 P HA 0.534 nan 4.420 nan 0.000 0.282 48 P C -0.978 176.309 177.300 -0.022 0.000 1.249 48 P CA -0.217 62.892 63.100 0.015 0.000 0.806 48 P CB 2.131 33.845 31.700 0.023 0.000 0.984 49 V N -0.531 119.356 119.914 -0.046 0.000 3.181 49 V HA 0.664 4.784 4.120 -0.000 0.000 0.308 49 V C -1.196 174.844 176.094 -0.090 0.000 1.214 49 V CA -0.994 61.260 62.300 -0.078 0.000 1.053 49 V CB 2.013 33.772 31.823 -0.106 0.000 1.069 49 V HN 0.607 nan 8.190 nan 0.000 0.441 50 Q N 1.730 121.472 119.800 -0.097 0.000 2.285 50 Q HA 0.786 5.126 4.340 -0.000 0.000 0.269 50 Q C -1.788 174.147 176.000 -0.108 0.000 1.030 50 Q CA -0.801 54.946 55.803 -0.094 0.000 0.788 50 Q CB 2.282 30.979 28.738 -0.067 0.000 1.266 50 Q HN 1.073 nan 8.270 nan 0.000 0.438 51 L N 1.350 122.494 121.223 -0.132 0.000 2.455 51 L HA 0.596 4.936 4.340 -0.000 0.000 0.264 51 L C -0.636 176.127 176.870 -0.178 0.000 0.968 51 L CA -1.137 53.601 54.840 -0.169 0.000 0.827 51 L CB 1.632 43.566 42.059 -0.208 0.000 1.317 51 L HN 0.710 nan 8.230 nan 0.000 0.407 52 L N 3.422 124.514 121.223 -0.219 0.000 3.839 52 L HA -0.183 4.157 4.340 -0.000 0.000 0.416 52 L C 1.317 178.135 176.870 -0.087 0.000 1.195 52 L CA 1.489 56.210 54.840 -0.198 0.000 0.946 52 L CB -1.778 40.128 42.059 -0.254 0.000 1.891 52 L HN 1.296 nan 8.230 nan 0.000 0.963 53 G N -2.007 106.760 108.800 -0.055 0.000 2.184 53 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.264 53 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.264 53 G C 0.280 175.173 174.900 -0.011 0.000 0.975 53 G CA 0.495 45.584 45.100 -0.018 0.000 0.642 53 G HN 0.529 nan 8.290 nan 0.000 0.536 54 E N 0.481 120.669 120.200 -0.021 0.000 2.175 54 E HA 0.460 4.809 4.350 -0.000 0.000 0.278 54 E C -0.112 176.467 176.600 -0.035 0.000 0.969 54 E CA -0.616 55.789 56.400 0.008 0.000 0.796 54 E CB 1.063 30.809 29.700 0.078 0.000 1.104 54 E HN 0.255 nan 8.360 nan 0.000 0.395 55 K N 2.163 122.555 120.400 -0.012 0.000 2.248 55 K HA 0.343 4.663 4.320 -0.000 0.000 0.281 55 K C -0.769 175.803 176.600 -0.047 0.000 1.054 55 K CA -0.370 55.898 56.287 -0.031 0.000 0.903 55 K CB 1.161 33.660 32.500 -0.003 0.000 1.077 55 K HN 0.173 nan 8.250 nan 0.000 0.474 56 V N 4.179 124.028 119.914 -0.108 0.000 2.769 56 V HA 0.418 4.538 4.120 -0.000 0.000 0.312 56 V C -0.515 175.561 176.094 -0.030 0.000 1.061 56 V CA -1.061 61.154 62.300 -0.143 0.000 0.931 56 V CB 2.078 33.653 31.823 -0.414 0.000 1.010 56 V HN 0.652 nan 8.190 nan 0.000 0.433 57 L N 4.388 125.650 121.223 0.066 0.000 2.325 57 L HA 0.613 4.953 4.340 -0.000 0.000 0.281 57 L C -1.105 175.918 176.870 0.254 0.000 1.004 57 L CA -0.444 54.502 54.840 0.176 0.000 0.823 57 L CB 1.509 43.728 42.059 0.266 0.000 1.236 57 L HN 0.536 nan 8.230 nan 0.000 0.415 58 L N 4.109 125.410 121.223 0.130 0.000 2.334 58 L HA 0.611 4.951 4.340 -0.000 0.000 0.272 58 L C -0.535 176.242 176.870 -0.155 0.000 1.020 58 L CA -0.652 54.212 54.840 0.039 0.000 0.812 58 L CB 1.849 43.897 42.059 -0.019 0.000 1.264 58 L HN 0.547 nan 8.230 nan 0.000 0.439 59 N N 0.726 119.226 118.700 -0.333 0.000 2.745 59 N HA 0.323 5.062 4.740 -0.000 0.000 0.256 59 N C -1.657 173.609 175.510 -0.407 0.000 1.268 59 N CA -0.804 51.885 53.050 -0.602 0.000 0.887 59 N CB 2.218 39.749 38.487 -1.593 0.000 1.575 59 N HN 0.562 nan 8.380 nan 0.000 0.496 60 R N 2.326 122.634 120.500 -0.321 0.000 2.310 60 R HA 0.673 5.013 4.340 -0.000 0.000 0.324 60 R C -1.543 174.650 176.300 -0.179 0.000 0.955 60 R CA -0.511 55.462 56.100 -0.211 0.000 0.830 60 R CB 0.701 30.913 30.300 -0.147 0.000 1.154 60 R HN 0.286 nan 8.270 nan 0.000 0.458 61 V N 5.109 124.961 119.914 -0.102 0.000 2.407 61 V HA 0.223 4.342 4.120 -0.000 0.000 0.291 61 V C -0.485 175.619 176.094 0.018 0.000 1.018 61 V CA -0.707 61.581 62.300 -0.019 0.000 0.842 61 V CB 1.603 33.474 31.823 0.080 0.000 0.996 61 V HN 0.967 nan 8.190 nan 0.000 0.426 62 D N 4.370 124.773 120.400 0.006 0.000 2.699 62 D HA -0.192 4.447 4.640 -0.000 0.000 0.239 62 D C 1.373 177.667 176.300 -0.010 0.000 1.136 62 D CA 1.624 55.630 54.000 0.011 0.000 0.668 62 D CB -1.052 39.772 40.800 0.039 0.000 1.060 62 D HN 1.406 nan 8.370 nan 0.000 0.429 63 G N -2.139 106.640 108.800 -0.034 0.000 2.220 63 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.269 63 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.269 63 G C 0.442 175.295 174.900 -0.078 0.000 0.977 63 G CA 0.486 45.557 45.100 -0.049 0.000 0.634 63 G HN 0.653 nan 8.290 nan 0.000 0.539 64 V N 1.420 121.272 119.914 -0.103 0.000 2.394 64 V HA 0.555 4.675 4.120 -0.000 0.000 0.282 64 V C 0.806 176.682 176.094 -0.363 0.000 1.031 64 V CA -0.817 61.360 62.300 -0.204 0.000 0.881 64 V CB 1.827 33.531 31.823 -0.198 0.000 0.982 64 V HN 0.244 nan 8.190 nan 0.000 0.451 65 V N 5.672 125.399 119.914 -0.312 0.000 2.530 65 V HA 0.319 4.439 4.120 -0.000 0.000 0.282 65 V C 0.040 175.918 176.094 -0.359 0.000 1.048 65 V CA -0.248 61.892 62.300 -0.267 0.000 0.997 65 V CB 0.340 32.093 31.823 -0.116 0.000 0.987 65 V HN 0.795 nan 8.190 nan 0.000 0.477 66 H N 2.570 121.651 119.070 0.017 0.000 2.679 66 H HA 0.823 5.378 4.556 -0.000 0.000 0.367 66 H C -0.250 175.186 175.328 0.180 0.000 1.162 66 H CA -0.551 55.577 56.048 0.134 0.000 1.181 66 H CB 2.311 32.199 29.762 0.211 0.000 1.693 66 H HN 0.727 nan 8.280 nan 0.000 0.538 67 A N 2.904 125.959 122.820 0.392 0.000 2.381 67 A HA 0.613 4.933 4.320 -0.000 0.000 0.299 67 A C -0.501 177.322 177.584 0.398 0.000 1.049 67 A CA -0.637 51.597 52.037 0.329 0.000 0.715 67 A CB 0.814 19.946 19.000 0.219 0.000 1.222 67 A HN 0.644 nan 8.150 nan 0.000 0.428 68 I N -0.699 120.084 120.570 0.354 0.000 2.934 68 I HA 0.887 5.057 4.170 -0.000 0.000 0.306 68 I C 0.293 176.548 176.117 0.230 0.000 1.110 68 I CA -1.326 60.142 61.300 0.280 0.000 1.019 68 I CB 2.143 40.209 38.000 0.110 0.000 1.227 68 I HN 0.697 nan 8.210 nan 0.000 0.434 69 A N 1.969 124.924 122.820 0.225 0.000 2.520 69 A HA 0.066 4.386 4.320 -0.000 0.000 0.245 69 A C 0.116 177.721 177.584 0.035 0.000 1.072 69 A CA 0.143 52.285 52.037 0.176 0.000 0.761 69 A CB -0.167 18.903 19.000 0.116 0.000 1.004 69 A HN 0.771 nan 8.150 nan 0.000 0.499 70 D N 1.305 121.728 120.400 0.037 0.000 2.994 70 D HA 0.214 4.854 4.640 -0.000 0.000 0.240 70 D C 0.194 176.501 176.300 0.012 0.000 1.195 70 D CA 0.296 54.310 54.000 0.024 0.000 0.957 70 D CB -0.666 40.158 40.800 0.040 0.000 1.105 70 D HN 0.539 nan 8.370 nan 0.000 0.477 71 R N 0.776 121.254 120.500 -0.037 0.000 2.522 71 R HA 0.261 4.601 4.340 -0.000 0.000 0.273 71 R C -1.433 174.800 176.300 -0.112 0.000 1.133 71 R CA -0.711 55.364 56.100 -0.042 0.000 0.969 71 R CB 0.689 30.977 30.300 -0.021 0.000 1.235 71 R HN 0.175 nan 8.270 nan 0.000 0.433 72 C N 5.384 124.623 119.300 -0.102 0.000 2.644 72 C HA 0.237 4.697 4.460 -0.000 0.000 0.417 72 C C 1.885 176.813 174.990 -0.103 0.000 1.304 72 C CA -0.411 58.546 59.018 -0.102 0.000 2.035 72 C CB -0.371 27.305 27.740 -0.107 0.000 2.673 72 C HN 0.955 nan 8.230 nan 0.000 0.602 73 L N 4.010 125.222 121.223 -0.018 0.000 2.291 73 L HA -0.060 4.280 4.340 -0.000 0.000 0.214 73 L C 2.393 179.124 176.870 -0.231 0.000 1.120 73 L CA 1.048 55.866 54.840 -0.037 0.000 0.799 73 L CB -0.850 41.308 42.059 0.165 0.000 0.925 73 L HN 0.864 nan 8.230 nan 0.000 0.446 74 H N 0.730 119.359 119.070 -0.735 0.000 2.300 74 H HA -0.025 4.530 4.556 -0.001 0.000 0.302 74 H C 1.252 176.265 175.328 -0.525 0.000 1.049 74 H CA 0.919 56.340 56.048 -1.045 0.000 1.254 74 H CB 0.473 29.195 29.762 -1.734 0.000 1.396 74 H HN 0.055 nan 8.280 nan 0.000 0.518 75 R N -0.255 119.890 120.500 -0.592 0.000 2.509 75 R HA 0.155 4.495 4.340 -0.000 0.000 0.300 75 R C 0.795 176.970 176.300 -0.208 0.000 0.985 75 R CA 0.495 56.329 56.100 -0.442 0.000 1.092 75 R CB 0.663 30.684 30.300 -0.464 0.000 1.237 75 R HN 0.708 nan 8.270 nan 0.000 0.546 76 G N 1.476 110.168 108.800 -0.180 0.000 2.179 76 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.257 76 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.257 76 G C 0.471 175.340 174.900 -0.051 0.000 1.010 76 G CA 0.571 45.612 45.100 -0.097 0.000 0.736 76 G HN 0.294 nan 8.290 nan 0.000 0.513 77 V N -2.415 117.459 119.914 -0.067 0.000 3.185 77 V HA 0.722 4.842 4.120 -0.000 0.000 0.305 77 V C 0.833 176.975 176.094 0.081 0.000 1.090 77 V CA 0.266 62.577 62.300 0.019 0.000 1.107 77 V CB 1.074 32.832 31.823 -0.107 0.000 1.061 77 V HN 0.352 nan 8.190 nan 0.000 0.480 78 T N 4.132 118.817 114.554 0.218 0.000 2.729 78 T HA 0.404 4.753 4.350 -0.000 0.000 0.296 78 T C 1.213 176.135 174.700 0.370 0.000 0.928 78 T CA -0.122 62.100 62.100 0.204 0.000 1.045 78 T CB 0.754 69.715 68.868 0.155 0.000 0.902 78 T HN 0.621 nan 8.240 nan 0.000 0.500 79 L N 2.825 124.197 121.223 0.248 0.000 2.012 79 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 79 L C 2.805 179.892 176.870 0.362 0.000 1.073 79 L CA 1.486 56.519 54.840 0.322 0.000 0.748 79 L CB -0.685 41.450 42.059 0.128 0.000 0.891 79 L HN 0.711 nan 8.230 nan 0.000 0.431 80 S N -1.531 114.295 115.700 0.210 0.000 2.537 80 S HA -0.152 4.317 4.470 -0.000 0.000 0.240 80 S C 1.324 175.951 174.600 0.044 0.000 0.981 80 S CA 0.962 59.241 58.200 0.132 0.000 0.948 80 S CB -0.449 62.808 63.200 0.095 0.000 0.759 80 S HN 0.356 nan 8.310 nan 0.000 0.531 81 D N 1.783 122.202 120.400 0.033 0.000 2.264 81 D HA 0.068 4.708 4.640 -0.000 0.000 0.208 81 D C 0.780 176.816 176.300 -0.440 0.000 0.966 81 D CA 1.126 55.004 54.000 -0.203 0.000 0.864 81 D CB 0.030 40.676 40.800 -0.255 0.000 0.933 81 D HN 0.575 nan 8.370 nan 0.000 0.499 82 K N 0.222 120.363 120.400 -0.433 0.000 2.865 82 K HA 0.154 4.474 4.320 -0.000 0.000 0.259 82 K C -1.449 175.151 176.600 0.000 0.000 1.236 82 K CA -0.229 55.844 56.287 -0.356 0.000 1.024 82 K CB 0.802 32.888 32.500 -0.690 0.000 1.344 82 K HN -0.290 nan 8.250 nan 0.000 0.558 83 V N 3.102 123.048 119.914 0.054 0.000 2.540 83 V HA 0.063 4.183 4.120 -0.000 0.000 0.297 83 V C 0.033 176.181 176.094 0.090 0.000 1.024 83 V CA 0.553 62.931 62.300 0.130 0.000 1.105 83 V CB 0.748 32.645 31.823 0.123 0.000 0.938 83 V HN 0.626 nan 8.190 nan 0.000 0.482 84 E N 3.623 123.878 120.200 0.092 0.000 2.265 84 E HA 0.444 4.794 4.350 -0.000 0.000 0.262 84 E C -1.542 174.917 176.600 -0.235 0.000 0.889 84 E CA -0.494 55.849 56.400 -0.095 0.000 0.789 84 E CB 1.808 31.543 29.700 0.058 0.000 1.221 84 E HN 0.669 nan 8.360 nan 0.000 0.414 85 C N 2.929 121.995 119.300 -0.389 0.000 2.340 85 C HA 0.360 4.820 4.460 -0.000 0.000 0.323 85 C C -0.058 174.662 174.990 -0.451 0.000 1.260 85 C CA -0.580 58.300 59.018 -0.230 0.000 1.464 85 C CB -0.385 27.394 27.740 0.066 0.000 2.156 85 C HN 0.847 nan 8.230 nan 0.000 0.476 86 Y N 1.331 121.705 120.300 0.123 0.000 2.531 86 Y HA 0.288 4.838 4.550 -0.000 0.000 0.249 86 Y C 1.296 177.246 175.900 0.084 0.000 1.168 86 Y CA -0.035 58.121 58.100 0.092 0.000 1.226 86 Y CB 0.239 38.743 38.460 0.075 0.000 1.177 86 Y HN 0.697 nan 8.280 nan 0.000 0.527 87 S N -1.263 114.544 115.700 0.177 0.000 2.537 87 S HA 0.259 4.728 4.470 -0.000 0.000 0.270 87 S C 0.456 175.147 174.600 0.151 0.000 1.142 87 S CA -0.973 57.315 58.200 0.147 0.000 0.870 87 S CB 2.022 65.301 63.200 0.132 0.000 1.112 87 S HN 0.140 nan 8.310 nan 0.000 0.466 88 K N 1.439 121.917 120.400 0.130 0.000 2.074 88 K HA -0.120 4.200 4.320 -0.000 0.000 0.209 88 K C 1.641 178.362 176.600 0.202 0.000 1.048 88 K CA 1.818 58.186 56.287 0.135 0.000 0.926 88 K CB -0.637 31.921 32.500 0.096 0.000 0.713 88 K HN 0.809 nan 8.250 nan 0.000 0.444 89 A N 0.702 123.642 122.820 0.199 0.000 2.251 89 A HA 0.062 4.381 4.320 -0.000 0.000 0.209 89 A C 0.660 178.435 177.584 0.319 0.000 1.187 89 A CA 0.650 52.839 52.037 0.252 0.000 0.823 89 A CB -0.111 18.975 19.000 0.144 0.000 0.846 89 A HN 0.562 nan 8.150 nan 0.000 0.486 90 T N -3.265 111.451 114.554 0.269 0.000 2.838 90 T HA 0.681 5.031 4.350 -0.000 0.000 0.292 90 T C -0.696 174.034 174.700 0.049 0.000 1.113 90 T CA -0.720 61.420 62.100 0.066 0.000 1.008 90 T CB 1.445 70.338 68.868 0.043 0.000 1.259 90 T HN 0.398 nan 8.240 nan 0.000 0.520 91 I N 0.487 120.953 120.570 -0.174 0.000 2.582 91 I HA 0.641 4.810 4.170 -0.000 0.000 0.292 91 I C -1.219 174.929 176.117 0.051 0.000 1.066 91 I CA -0.615 60.638 61.300 -0.078 0.000 1.053 91 I CB 2.178 39.966 38.000 -0.353 0.000 1.241 91 I HN 0.790 nan 8.210 nan 0.000 0.421 92 S N 6.239 122.019 115.700 0.132 0.000 2.449 92 S HA 0.286 4.756 4.470 -0.000 0.000 0.310 92 S C -0.586 174.158 174.600 0.241 0.000 1.096 92 S CA -0.484 57.844 58.200 0.213 0.000 1.095 92 S CB 1.265 64.671 63.200 0.343 0.000 1.007 92 S HN 0.761 nan 8.310 nan 0.000 0.474 93 C N 6.252 125.691 119.300 0.231 0.000 2.611 93 C HA 0.102 4.562 4.460 -0.000 0.000 0.416 93 C C 1.988 177.045 174.990 0.112 0.000 1.366 93 C CA -0.447 58.638 59.018 0.111 0.000 1.761 93 C CB -0.803 26.953 27.740 0.027 0.000 2.619 93 C HN 1.038 nan 8.230 nan 0.000 0.606 94 W N 4.987 126.386 121.300 0.165 0.000 2.611 94 W HA -0.051 4.609 4.660 -0.000 0.000 0.251 94 W C 1.298 177.903 176.519 0.143 0.000 1.265 94 W CA 0.279 57.707 57.345 0.139 0.000 1.295 94 W CB -1.172 28.333 29.460 0.075 0.000 1.129 94 W HN 0.837 nan 8.180 nan 0.000 0.630 95 Y N 1.924 121.934 120.300 -0.484 0.000 2.190 95 Y HA -0.003 4.547 4.550 -0.000 0.000 0.290 95 Y C 1.312 176.897 175.900 -0.526 0.000 1.115 95 Y CA 1.395 59.148 58.100 -0.578 0.000 1.107 95 Y CB -0.816 37.081 38.460 -0.939 0.000 1.033 95 Y HN -0.027 nan 8.280 nan 0.000 0.502 96 H N -1.279 117.800 119.070 0.014 0.000 2.662 96 H HA 0.381 4.937 4.556 -0.000 0.000 0.268 96 H C 1.258 176.672 175.328 0.144 0.000 1.152 96 H CA 0.205 56.269 56.048 0.026 0.000 1.072 96 H CB 0.338 30.064 29.762 -0.060 0.000 1.660 96 H HN 0.387 nan 8.280 nan 0.000 0.584 97 G N 0.396 109.327 108.800 0.219 0.000 2.203 97 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.263 97 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.263 97 G C -0.348 174.695 174.900 0.237 0.000 1.012 97 G CA -0.126 45.104 45.100 0.217 0.000 0.749 97 G HN 0.276 nan 8.290 nan 0.000 0.512 98 W N 0.701 121.957 121.300 -0.074 0.000 2.264 98 W HA 0.502 5.161 4.660 -0.001 0.000 0.331 98 W C 0.802 177.102 176.519 -0.365 0.000 1.364 98 W CA 0.317 57.505 57.345 -0.263 0.000 1.253 98 W CB 0.404 29.697 29.460 -0.280 0.000 1.215 98 W HN 0.061 nan 8.180 nan 0.000 0.561 99 T N 5.004 119.379 114.554 -0.299 0.000 2.779 99 T HA 0.469 4.819 4.350 -0.000 0.000 0.280 99 T C -1.128 173.330 174.700 -0.404 0.000 0.987 99 T CA -0.419 61.540 62.100 -0.235 0.000 0.966 99 T CB 0.485 69.309 68.868 -0.073 0.000 0.933 99 T HN 0.033 nan 8.240 nan 0.000 0.442 100 Y N 0.878 121.141 120.300 -0.062 0.000 2.485 100 Y HA 0.571 5.121 4.550 -0.001 0.000 0.345 100 Y C 0.759 176.539 175.900 -0.199 0.000 0.998 100 Y CA -1.449 56.585 58.100 -0.111 0.000 1.059 100 Y CB 1.308 39.692 38.460 -0.127 0.000 1.234 100 Y HN 0.329 nan 8.280 nan 0.000 0.461 101 R N 0.908 121.423 120.500 0.024 0.000 2.441 101 R HA 0.077 4.417 4.340 -0.000 0.000 0.284 101 R C -0.115 176.153 176.300 -0.053 0.000 1.070 101 R CA -0.257 55.832 56.100 -0.019 0.000 1.047 101 R CB 0.721 31.033 30.300 0.021 0.000 1.016 101 R HN 0.898 nan 8.270 nan 0.000 0.477 102 W N 1.333 122.622 121.300 -0.018 0.000 2.388 102 W HA -0.178 4.481 4.660 -0.000 0.000 0.294 102 W C 1.931 178.296 176.519 -0.257 0.000 1.212 102 W CA 1.230 58.532 57.345 -0.071 0.000 1.271 102 W CB -0.089 29.343 29.460 -0.047 0.000 1.126 102 W HN 0.708 nan 8.180 nan 0.000 0.535 103 D N 0.024 120.286 120.400 -0.231 0.000 2.178 103 D HA -0.182 4.458 4.640 -0.000 0.000 0.202 103 D C 1.091 177.376 176.300 -0.026 0.000 0.974 103 D CA 1.759 55.550 54.000 -0.349 0.000 0.841 103 D CB -1.009 39.622 40.800 -0.283 0.000 0.953 103 D HN 0.340 nan 8.370 nan 0.000 0.478 104 N N -2.086 116.621 118.700 0.013 0.000 2.143 104 N HA 0.163 4.902 4.740 -0.000 0.000 0.229 104 N C 1.486 177.031 175.510 0.058 0.000 1.294 104 N CA 0.285 53.363 53.050 0.046 0.000 0.883 104 N CB 0.263 38.772 38.487 0.037 0.000 1.148 104 N HN 0.225 nan 8.380 nan 0.000 0.511 105 G N 0.860 109.694 108.800 0.057 0.000 2.205 105 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.269 105 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.269 105 G C 0.014 175.008 174.900 0.157 0.000 0.977 105 G CA 0.848 45.987 45.100 0.066 0.000 0.652 105 G HN 0.724 nan 8.290 nan 0.000 0.539 106 K N 0.142 120.613 120.400 0.118 0.000 2.448 106 K HA 0.334 4.654 4.320 -0.000 0.000 0.278 106 K C 0.456 177.127 176.600 0.119 0.000 1.009 106 K CA -0.776 55.580 56.287 0.115 0.000 0.995 106 K CB 0.223 32.750 32.500 0.045 0.000 0.917 106 K HN 0.216 nan 8.250 nan 0.000 0.481 107 L N 6.848 128.125 121.223 0.089 0.000 2.454 107 L HA 0.052 4.392 4.340 -0.000 0.000 0.284 107 L C 0.441 177.213 176.870 -0.162 0.000 1.139 107 L CA 0.393 55.150 54.840 -0.139 0.000 0.911 107 L CB 0.738 42.721 42.059 -0.127 0.000 1.262 107 L HN 0.646 nan 8.230 nan 0.000 0.453 108 V N 4.309 124.128 119.914 -0.158 0.000 3.354 108 V HA 0.262 4.382 4.120 -0.000 0.000 0.258 108 V C 0.213 176.216 176.094 -0.151 0.000 1.159 108 V CA 0.856 63.084 62.300 -0.121 0.000 1.125 108 V CB -0.141 31.642 31.823 -0.066 0.000 0.774 108 V HN 0.876 nan 8.190 nan 0.000 0.464 109 D N -0.988 119.287 120.400 -0.208 0.000 2.622 109 D HA 0.426 5.066 4.640 -0.000 0.000 0.255 109 D C -1.197 174.936 176.300 -0.278 0.000 1.246 109 D CA -0.317 53.563 54.000 -0.200 0.000 0.795 109 D CB 2.316 43.047 40.800 -0.115 0.000 1.369 109 D HN 0.032 nan 8.370 nan 0.000 0.425 110 I N 2.489 122.904 120.570 -0.259 0.000 2.542 110 I HA 0.038 4.208 4.170 -0.000 0.000 0.278 110 I C 0.921 176.962 176.117 -0.127 0.000 1.069 110 I CA -0.487 60.649 61.300 -0.274 0.000 1.100 110 I CB 1.720 39.426 38.000 -0.489 0.000 1.204 110 I HN 0.163 nan 8.210 nan 0.000 0.470 111 L N 3.653 124.845 121.223 -0.052 0.000 2.089 111 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 111 L C 2.635 179.493 176.870 -0.020 0.000 1.079 111 L CA 2.386 57.208 54.840 -0.030 0.000 0.758 111 L CB -1.176 40.877 42.059 -0.009 0.000 0.891 111 L HN 0.732 nan 8.230 nan 0.000 0.433 112 T N -4.334 110.228 114.554 0.013 0.000 3.129 112 T HA 0.060 4.410 4.350 -0.000 0.000 0.251 112 T C 0.781 175.477 174.700 -0.007 0.000 1.117 112 T CA 0.375 62.491 62.100 0.027 0.000 1.034 112 T CB -0.256 68.668 68.868 0.093 0.000 0.968 112 T HN 0.238 nan 8.240 nan 0.000 0.526 113 N N 0.692 119.361 118.700 -0.051 0.000 3.111 113 N HA 0.262 5.002 4.740 -0.000 0.000 0.200 113 N C -2.990 172.453 175.510 -0.112 0.000 1.464 113 N CA -1.377 51.629 53.050 -0.074 0.000 0.758 113 N CB 1.195 39.636 38.487 -0.078 0.000 1.548 113 N HN -0.118 nan 8.380 nan 0.000 0.595 114 P HA -0.058 nan 4.420 nan 0.000 0.226 114 P C 0.942 178.180 177.300 -0.103 0.000 1.146 114 P CA 1.362 64.402 63.100 -0.100 0.000 0.773 114 P CB 0.219 31.876 31.700 -0.072 0.000 0.772 115 T N -6.206 108.292 114.554 -0.094 0.000 3.069 115 T HA 0.143 4.493 4.350 -0.000 0.000 0.252 115 T C 0.836 175.474 174.700 -0.103 0.000 1.053 115 T CA -0.311 61.737 62.100 -0.086 0.000 0.964 115 T CB -0.627 68.203 68.868 -0.063 0.000 1.005 115 T HN -0.076 nan 8.240 nan 0.000 0.532 116 S N 0.697 116.314 115.700 -0.138 0.000 2.552 116 S HA 0.129 4.599 4.470 -0.000 0.000 0.289 116 S C 1.379 175.882 174.600 -0.161 0.000 1.304 116 S CA -0.534 57.569 58.200 -0.161 0.000 1.063 116 S CB 0.522 63.575 63.200 -0.245 0.000 0.848 116 S HN 0.251 nan 8.310 nan 0.000 0.499 117 V N 5.414 125.254 119.914 -0.123 0.000 2.970 117 V HA -0.063 4.057 4.120 -0.000 0.000 0.260 117 V C 2.246 178.264 176.094 -0.127 0.000 1.100 117 V CA 1.184 63.420 62.300 -0.107 0.000 1.122 117 V CB -0.578 31.203 31.823 -0.069 0.000 0.721 117 V HN 0.755 nan 8.190 nan 0.000 0.483 118 Q N -0.242 119.459 119.800 -0.164 0.000 2.297 118 Q HA 0.121 4.461 4.340 -0.000 0.000 0.204 118 Q C 0.975 176.835 176.000 -0.234 0.000 0.962 118 Q CA 0.480 56.192 55.803 -0.153 0.000 0.879 118 Q CB -0.128 28.453 28.738 -0.262 0.000 0.947 118 Q HN 0.515 nan 8.270 nan 0.000 0.462 119 I N 0.884 121.274 120.570 -0.300 0.000 2.752 119 I HA -0.074 4.095 4.170 -0.000 0.000 0.289 119 I C 1.359 177.357 176.117 -0.198 0.000 1.197 119 I CA 1.073 62.202 61.300 -0.285 0.000 1.432 119 I CB 0.164 38.011 38.000 -0.255 0.000 1.359 119 I HN 0.392 nan 8.210 nan 0.000 0.571 120 G N 5.236 113.932 108.800 -0.173 0.000 2.184 120 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.264 120 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.264 120 G C 0.998 175.805 174.900 -0.155 0.000 0.975 120 G CA 0.134 45.155 45.100 -0.131 0.000 0.642 120 G HN 0.710 nan 8.290 nan 0.000 0.536 121 R N -0.077 120.277 120.500 -0.244 0.000 2.362 121 R HA 0.241 4.581 4.340 -0.000 0.000 0.227 121 R C 0.250 176.154 176.300 -0.660 0.000 0.905 121 R CA 0.115 55.954 56.100 -0.435 0.000 1.067 121 R CB 0.348 30.321 30.300 -0.545 0.000 1.078 121 R HN 0.580 nan 8.270 nan 0.000 0.516 122 H N -0.916 118.151 119.070 -0.006 0.000 2.985 122 H HA 0.658 5.214 4.556 -0.001 0.000 0.360 122 H C -1.128 174.259 175.328 0.099 0.000 1.221 122 H CA -1.000 55.087 56.048 0.065 0.000 1.121 122 H CB 2.248 32.091 29.762 0.135 0.000 1.854 122 H HN 0.035 nan 8.280 nan 0.000 0.551 123 A N 1.632 124.612 122.820 0.266 0.000 2.540 123 A HA 0.413 4.733 4.320 -0.000 0.000 0.297 123 A C -1.418 176.257 177.584 0.151 0.000 1.056 123 A CA -0.603 51.557 52.037 0.204 0.000 0.700 123 A CB 1.513 20.581 19.000 0.113 0.000 1.280 123 A HN 0.296 nan 8.150 nan 0.000 0.398 124 L N 1.539 122.818 121.223 0.093 0.000 2.452 124 L HA 0.289 4.629 4.340 -0.000 0.000 0.267 124 L C 1.017 177.886 176.870 -0.001 0.000 1.188 124 L CA 0.407 55.222 54.840 -0.042 0.000 0.821 124 L CB 0.453 42.372 42.059 -0.235 0.000 1.102 124 L HN 0.793 nan 8.230 nan 0.000 0.470 125 K N 0.941 121.334 120.400 -0.012 0.000 2.326 125 K HA 0.272 4.592 4.320 -0.000 0.000 0.275 125 K C -0.484 176.111 176.600 -0.008 0.000 1.018 125 K CA -0.281 55.977 56.287 -0.047 0.000 0.962 125 K CB 0.551 32.978 32.500 -0.121 0.000 0.953 125 K HN 0.814 nan 8.250 nan 0.000 0.475 126 T N 0.528 115.064 114.554 -0.029 0.000 2.918 126 T HA 0.392 4.741 4.350 -0.000 0.000 0.286 126 T C -0.960 173.746 174.700 0.009 0.000 1.026 126 T CA -0.733 61.428 62.100 0.102 0.000 1.031 126 T CB 0.682 69.625 68.868 0.125 0.000 1.046 126 T HN 0.398 nan 8.240 nan 0.000 0.479 127 Y N 0.985 121.358 120.300 0.121 0.000 2.341 127 Y HA 0.499 5.049 4.550 -0.000 0.000 0.338 127 Y C -2.367 173.627 175.900 0.157 0.000 0.965 127 Y CA -2.575 55.596 58.100 0.120 0.000 1.108 127 Y CB 1.413 39.938 38.460 0.110 0.000 1.180 127 Y HN 0.516 nan 8.280 nan 0.000 0.458 128 P HA 0.090 nan 4.420 nan 0.000 0.266 128 P C -0.975 176.588 177.300 0.438 0.000 1.195 128 P CA 0.082 63.339 63.100 0.262 0.000 0.768 128 P CB 0.696 32.447 31.700 0.085 0.000 0.838 129 V N 4.645 124.830 119.914 0.452 0.000 2.823 129 V HA 0.607 4.727 4.120 -0.000 0.000 0.312 129 V C -0.033 176.254 176.094 0.321 0.000 1.072 129 V CA -0.622 61.941 62.300 0.438 0.000 0.937 129 V CB 2.263 34.226 31.823 0.233 0.000 1.013 129 V HN 0.433 nan 8.190 nan 0.000 0.430 130 R N 2.246 122.876 120.500 0.216 0.000 2.564 130 R HA 0.513 4.853 4.340 -0.000 0.000 0.284 130 R C -1.084 175.254 176.300 0.064 0.000 1.031 130 R CA -0.615 55.444 56.100 -0.069 0.000 0.904 130 R CB 2.408 32.360 30.300 -0.580 0.000 1.199 130 R HN 0.920 nan 8.270 nan 0.000 0.443 131 E N 2.432 122.639 120.200 0.011 0.000 2.182 131 E HA 0.269 4.619 4.350 -0.000 0.000 0.258 131 E C -1.011 175.598 176.600 0.015 0.000 0.879 131 E CA -0.329 56.105 56.400 0.056 0.000 0.754 131 E CB 1.023 30.727 29.700 0.006 0.000 1.162 131 E HN 0.304 nan 8.360 nan 0.000 0.419 132 E N 3.156 123.411 120.200 0.092 0.000 2.383 132 E HA 0.234 4.584 4.350 -0.000 0.000 0.275 132 E C -0.662 175.970 176.600 0.054 0.000 0.918 132 E CA -0.946 55.459 56.400 0.008 0.000 0.764 132 E CB 1.579 31.225 29.700 -0.090 0.000 1.252 132 E HN 0.399 nan 8.360 nan 0.000 0.449 133 K N 0.366 120.711 120.400 -0.092 0.000 3.012 133 K HA -0.239 4.081 4.320 -0.000 0.000 0.259 133 K C 0.710 177.267 176.600 -0.072 0.000 0.989 133 K CA 1.100 57.290 56.287 -0.161 0.000 0.728 133 K CB -2.014 30.265 32.500 -0.369 0.000 1.260 133 K HN 1.098 nan 8.250 nan 0.000 0.480 134 G N -0.828 107.941 108.800 -0.053 0.000 2.153 134 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.252 134 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.252 134 G C 0.030 174.907 174.900 -0.038 0.000 0.994 134 G CA 0.581 45.655 45.100 -0.044 0.000 0.698 134 G HN 0.295 nan 8.290 nan 0.000 0.521 135 L N -0.563 120.646 121.223 -0.023 0.000 2.370 135 L HA 0.756 5.095 4.340 -0.000 0.000 0.266 135 L C 0.052 176.851 176.870 -0.117 0.000 1.002 135 L CA -1.333 53.413 54.840 -0.156 0.000 0.818 135 L CB 2.387 44.216 42.059 -0.384 0.000 1.325 135 L HN 0.029 nan 8.230 nan 0.000 0.418 136 V N 2.846 122.636 119.914 -0.207 0.000 2.333 136 V HA 0.468 4.588 4.120 -0.000 0.000 0.274 136 V C -0.846 175.161 176.094 -0.146 0.000 1.028 136 V CA -0.097 62.157 62.300 -0.076 0.000 0.851 136 V CB 0.658 32.446 31.823 -0.059 0.000 1.000 136 V HN 0.438 nan 8.190 nan 0.000 0.456 137 F N 6.499 126.462 119.950 0.023 0.000 2.399 137 F HA 0.645 5.171 4.527 -0.000 0.000 0.334 137 F C 0.214 176.243 175.800 0.382 0.000 1.097 137 F CA -0.610 57.481 58.000 0.153 0.000 1.076 137 F CB 1.598 40.671 39.000 0.120 0.000 1.162 137 F HN 0.268 nan 8.300 nan 0.000 0.495 138 L N 3.109 124.681 121.223 0.580 0.000 2.346 138 L HA 0.446 4.786 4.340 -0.000 0.000 0.274 138 L C -1.101 176.020 176.870 0.418 0.000 1.007 138 L CA -0.911 54.217 54.840 0.479 0.000 0.818 138 L CB 2.084 44.270 42.059 0.211 0.000 1.284 138 L HN 0.463 nan 8.230 nan 0.000 0.424 139 F N 2.863 122.735 119.950 -0.129 0.000 2.405 139 F HA 0.488 5.014 4.527 -0.001 0.000 0.355 139 F C -0.365 175.383 175.800 -0.086 0.000 1.121 139 F CA -0.524 57.121 58.000 -0.591 0.000 1.112 139 F CB 1.243 39.407 39.000 -1.393 0.000 1.126 139 F HN 0.010 nan 8.300 nan 0.000 0.481 140 V N 6.599 126.218 119.914 -0.491 0.000 2.311 140 V HA 0.851 4.971 4.120 -0.000 0.000 0.275 140 V C 0.213 176.008 176.094 -0.499 0.000 1.022 140 V CA 0.080 62.258 62.300 -0.204 0.000 0.830 140 V CB 0.326 32.161 31.823 0.020 0.000 1.012 140 V HN 1.072 nan 8.190 nan 0.000 0.452 141 G N 3.301 111.899 108.800 -0.337 0.000 2.320 141 G HA2 0.303 4.263 3.960 -0.000 0.000 0.296 141 G HA3 0.303 4.263 3.960 -0.000 0.000 0.296 141 G C -0.692 174.197 174.900 -0.019 0.000 1.306 141 G CA -0.273 44.701 45.100 -0.209 0.000 0.836 141 G HN 0.381 nan 8.290 nan 0.000 0.517 142 D N -0.271 120.154 120.400 0.042 0.000 2.449 142 D HA 0.063 4.703 4.640 -0.000 0.000 0.210 142 D C 1.016 177.362 176.300 0.076 0.000 1.094 142 D CA 0.358 54.382 54.000 0.041 0.000 0.846 142 D CB 0.982 41.791 40.800 0.016 0.000 1.003 142 D HN 0.634 nan 8.370 nan 0.000 0.504 143 Q N 0.762 120.647 119.800 0.142 0.000 2.180 143 Q HA 0.318 4.658 4.340 -0.000 0.000 0.241 143 Q C -0.053 175.979 176.000 0.054 0.000 0.970 143 Q CA -0.721 55.143 55.803 0.102 0.000 0.919 143 Q CB 1.495 30.299 28.738 0.110 0.000 1.222 143 Q HN -0.246 nan 8.270 nan 0.000 0.482 144 E N 1.719 121.899 120.200 -0.033 0.000 2.414 144 E HA 0.121 4.470 4.350 -0.000 0.000 0.263 144 E C -2.108 174.284 176.600 -0.347 0.000 1.000 144 E CA -1.290 55.021 56.400 -0.147 0.000 0.914 144 E CB 0.269 29.923 29.700 -0.076 0.000 0.948 144 E HN 0.426 nan 8.360 nan 0.000 0.444 145 P HA 0.018 nan 4.420 nan 0.000 0.271 145 P C -0.156 176.889 177.300 -0.425 0.000 1.216 145 P CA 0.234 62.616 63.100 -1.196 0.000 0.771 145 P CB 0.439 31.460 31.700 -1.131 0.000 0.864 146 H N 0.344 119.346 119.070 -0.115 0.000 2.437 146 H HA 0.343 4.899 4.556 -0.000 0.000 0.338 146 H C -0.263 175.181 175.328 0.194 0.000 1.495 146 H CA -0.693 55.392 56.048 0.061 0.000 1.453 146 H CB 0.204 30.024 29.762 0.097 0.000 1.707 146 H HN 0.317 nan 8.280 nan 0.000 0.655 147 D N 0.590 121.128 120.400 0.231 0.000 2.443 147 D HA -0.062 4.578 4.640 -0.000 0.000 0.239 147 D C 1.473 177.796 176.300 0.039 0.000 1.136 147 D CA -0.157 53.888 54.000 0.074 0.000 0.879 147 D CB 1.730 42.549 40.800 0.031 0.000 1.195 147 D HN 0.377 nan 8.370 nan 0.000 0.443 148 L N 3.537 124.557 121.223 -0.339 0.000 2.127 148 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 148 L C 2.081 178.798 176.870 -0.255 0.000 1.089 148 L CA 1.853 56.306 54.840 -0.646 0.000 0.757 148 L CB -0.603 40.852 42.059 -1.007 0.000 0.899 148 L HN 0.514 nan 8.230 nan 0.000 0.434 149 A N -0.971 121.750 122.820 -0.166 0.000 2.024 149 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 149 A C 2.158 179.732 177.584 -0.017 0.000 1.164 149 A CA 1.810 53.790 52.037 -0.095 0.000 0.643 149 A CB -0.590 18.359 19.000 -0.085 0.000 0.806 149 A HN 0.654 nan 8.150 nan 0.000 0.451 150 E N -0.602 119.651 120.200 0.088 0.000 2.358 150 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 150 E C 0.208 176.929 176.600 0.201 0.000 1.010 150 E CA 0.711 57.197 56.400 0.142 0.000 0.856 150 E CB 0.035 29.856 29.700 0.201 0.000 0.795 150 E HN 0.486 nan 8.360 nan 0.000 0.504 151 D N 0.257 120.804 120.400 0.245 0.000 2.424 151 D HA 0.046 4.685 4.640 -0.000 0.000 0.220 151 D C -0.075 176.341 176.300 0.193 0.000 1.150 151 D CA 0.163 54.339 54.000 0.294 0.000 0.831 151 D CB 0.953 42.044 40.800 0.486 0.000 0.981 151 D HN -0.003 nan 8.370 nan 0.000 0.500 152 V N -2.929 117.015 119.914 0.050 0.000 3.040 152 V HA 0.701 4.820 4.120 -0.000 0.000 0.312 152 V C -2.941 172.994 176.094 -0.265 0.000 1.115 152 V CA -2.633 59.647 62.300 -0.033 0.000 0.998 152 V CB 2.263 34.107 31.823 0.035 0.000 1.042 152 V HN -0.322 nan 8.190 nan 0.000 0.433 153 P HA 0.304 nan 4.420 nan 0.000 0.268 153 P C -2.756 174.256 177.300 -0.480 0.000 1.208 153 P CA -0.889 61.778 63.100 -0.721 0.000 0.777 153 P CB -0.414 31.145 31.700 -0.236 0.000 0.875 154 P HA 0.042 nan 4.420 nan 0.000 0.264 154 P C 0.976 178.251 177.300 -0.042 0.000 1.193 154 P CA 1.434 64.348 63.100 -0.310 0.000 0.763 154 P CB 0.005 31.537 31.700 -0.281 0.000 0.810 155 G N 2.569 111.357 108.800 -0.021 0.000 2.205 155 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.261 155 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.261 155 G C 0.824 175.737 174.900 0.021 0.000 0.980 155 G CA 0.192 45.312 45.100 0.033 0.000 0.632 155 G HN 0.504 nan 8.290 nan 0.000 0.533 156 F N 1.064 120.897 119.950 -0.196 0.000 2.216 156 F HA 0.239 4.766 4.527 -0.000 0.000 0.300 156 F C 2.105 177.743 175.800 -0.270 0.000 1.085 156 F CA 1.868 59.605 58.000 -0.437 0.000 1.326 156 F CB -0.019 38.649 39.000 -0.554 0.000 1.027 156 F HN 0.196 nan 8.300 nan 0.000 0.497 157 L N -0.004 121.081 121.223 -0.228 0.000 2.629 157 L HA 0.101 4.441 4.340 -0.000 0.000 0.230 157 L C -0.179 176.559 176.870 -0.220 0.000 1.151 157 L CA -0.371 54.304 54.840 -0.275 0.000 0.924 157 L CB -0.773 41.184 42.059 -0.170 0.000 1.137 157 L HN -0.154 nan 8.230 nan 0.000 0.457 158 D N 0.972 121.259 120.400 -0.188 0.000 2.488 158 D HA 0.025 4.665 4.640 -0.000 0.000 0.238 158 D C 1.179 177.390 176.300 -0.148 0.000 1.138 158 D CA 0.456 54.377 54.000 -0.132 0.000 0.873 158 D CB 1.582 42.328 40.800 -0.090 0.000 1.183 158 D HN 0.118 nan 8.370 nan 0.000 0.458 159 A N 3.389 126.141 122.820 -0.113 0.000 1.917 159 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 159 A C 1.450 178.974 177.584 -0.100 0.000 1.182 159 A CA 1.785 53.759 52.037 -0.105 0.000 0.633 159 A CB -0.230 18.723 19.000 -0.078 0.000 0.819 159 A HN 0.682 nan 8.150 nan 0.000 0.448 160 D N -0.979 119.369 120.400 -0.086 0.000 2.319 160 D HA 0.046 4.686 4.640 -0.000 0.000 0.230 160 D C 0.374 176.619 176.300 -0.092 0.000 1.094 160 D CA -0.089 53.866 54.000 -0.076 0.000 0.856 160 D CB -0.348 40.418 40.800 -0.057 0.000 0.915 160 D HN 0.345 nan 8.370 nan 0.000 0.517 161 L N 1.592 122.740 121.223 -0.125 0.000 2.261 161 L HA 0.463 4.803 4.340 -0.000 0.000 0.289 161 L C -0.345 176.426 176.870 -0.165 0.000 1.059 161 L CA -0.357 54.397 54.840 -0.144 0.000 0.816 161 L CB 0.888 42.842 42.059 -0.174 0.000 1.191 161 L HN -0.039 nan 8.230 nan 0.000 0.431 162 A N 5.638 128.385 122.820 -0.123 0.000 2.366 162 A HA 0.580 4.900 4.320 -0.000 0.000 0.272 162 A C -0.532 177.014 177.584 -0.064 0.000 1.135 162 A CA -0.340 51.649 52.037 -0.080 0.000 0.804 162 A CB 0.830 19.884 19.000 0.090 0.000 1.064 162 A HN 0.510 nan 8.150 nan 0.000 0.499 163 V N 4.496 124.257 119.914 -0.254 0.000 2.656 163 V HA 0.535 4.654 4.120 -0.000 0.000 0.307 163 V C -0.588 175.147 176.094 -0.599 0.000 1.051 163 V CA -0.625 61.541 62.300 -0.225 0.000 0.893 163 V CB 1.832 33.532 31.823 -0.206 0.000 0.999 163 V HN 0.999 nan 8.190 nan 0.000 0.426 164 H N 1.538 120.488 119.070 -0.200 0.000 2.980 164 H HA 0.852 5.408 4.556 -0.000 0.000 0.367 164 H C 0.050 175.040 175.328 -0.563 0.000 1.206 164 H CA -0.033 55.615 56.048 -0.666 0.000 1.126 164 H CB 2.557 31.377 29.762 -1.571 0.000 1.838 164 H HN 0.968 nan 8.280 nan 0.000 0.552 165 G N 0.069 108.751 108.800 -0.195 0.000 2.489 165 G HA2 0.493 4.452 3.960 -0.000 0.000 0.305 165 G HA3 0.493 4.452 3.960 -0.000 0.000 0.305 165 G C -1.816 173.248 174.900 0.273 0.000 1.311 165 G CA -0.864 44.366 45.100 0.217 0.000 0.813 165 G HN 0.662 nan 8.290 nan 0.000 0.480 166 Q N -1.455 118.463 119.800 0.197 0.000 2.534 166 Q HA 0.723 5.062 4.340 -0.000 0.000 0.290 166 Q C -1.437 174.560 176.000 -0.006 0.000 0.991 166 Q CA -1.112 54.708 55.803 0.028 0.000 0.783 166 Q CB 2.235 31.000 28.738 0.044 0.000 1.470 166 Q HN 1.011 nan 8.270 nan 0.000 0.406 167 H N -1.303 117.773 119.070 0.010 0.000 2.928 167 H HA 0.849 5.405 4.556 -0.000 0.000 0.371 167 H C -1.266 174.080 175.328 0.030 0.000 1.186 167 H CA -0.986 55.056 56.048 -0.010 0.000 1.134 167 H CB 1.717 31.472 29.762 -0.011 0.000 1.824 167 H HN 0.985 nan 8.280 nan 0.000 0.554 168 R N 0.519 121.178 120.500 0.265 0.000 2.680 168 R HA 0.606 4.946 4.340 -0.000 0.000 0.269 168 R C -1.539 174.879 176.300 0.196 0.000 1.026 168 R CA -1.039 55.191 56.100 0.218 0.000 0.889 168 R CB 1.733 32.146 30.300 0.188 0.000 1.241 168 R HN 0.652 nan 8.270 nan 0.000 0.463 169 V N 0.207 120.202 119.914 0.135 0.000 2.498 169 V HA 0.609 4.729 4.120 -0.000 0.000 0.279 169 V C -0.160 175.961 176.094 0.045 0.000 1.048 169 V CA -0.540 61.809 62.300 0.082 0.000 0.967 169 V CB 1.356 33.224 31.823 0.075 0.000 0.988 169 V HN 0.505 nan 8.190 nan 0.000 0.473 170 V N 3.950 123.806 119.914 -0.096 0.000 2.513 170 V HA 0.386 4.506 4.120 -0.000 0.000 0.299 170 V C 0.037 176.090 176.094 -0.067 0.000 1.035 170 V CA -0.441 61.767 62.300 -0.154 0.000 0.889 170 V CB 1.700 33.255 31.823 -0.448 0.000 0.988 170 V HN 0.938 nan 8.190 nan 0.000 0.440 171 D N 4.509 124.905 120.400 -0.007 0.000 2.767 171 D HA 0.477 5.117 4.640 -0.000 0.000 0.231 171 D C 0.191 176.438 176.300 -0.089 0.000 1.105 171 D CA 0.522 54.479 54.000 -0.072 0.000 1.024 171 D CB 0.613 41.396 40.800 -0.028 0.000 1.123 171 D HN 0.698 nan 8.370 nan 0.000 0.470 172 A N 1.046 123.863 122.820 -0.005 0.000 2.608 172 A HA 0.279 4.599 4.320 -0.000 0.000 0.292 172 A C -0.265 177.453 177.584 0.224 0.000 1.066 172 A CA -0.890 51.194 52.037 0.078 0.000 0.676 172 A CB 1.383 20.455 19.000 0.120 0.000 1.277 172 A HN 0.195 nan 8.150 nan 0.000 0.413 173 N N 1.407 120.163 118.700 0.094 0.000 2.441 173 N HA -0.027 4.713 4.740 -0.000 0.000 0.251 173 N C 1.451 176.951 175.510 -0.017 0.000 1.242 173 N CA 0.377 53.478 53.050 0.084 0.000 0.898 173 N CB 0.427 38.896 38.487 -0.030 0.000 1.100 173 N HN 0.882 nan 8.380 nan 0.000 0.443 174 W N 5.119 126.373 121.300 -0.076 0.000 2.350 174 W HA -0.155 4.504 4.660 -0.001 0.000 0.289 174 W C 1.130 177.463 176.519 -0.310 0.000 1.215 174 W CA 0.379 57.550 57.345 -0.291 0.000 1.236 174 W CB -0.736 28.699 29.460 -0.043 0.000 1.130 174 W HN 0.589 nan 8.180 nan 0.000 0.541 175 R N -0.071 119.680 120.500 -1.247 0.000 2.152 175 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 175 R C 2.436 178.401 176.300 -0.558 0.000 1.117 175 R CA 1.767 57.214 56.100 -1.089 0.000 0.981 175 R CB -0.362 29.306 30.300 -1.053 0.000 0.870 175 R HN 0.082 nan 8.270 nan 0.000 0.451 176 M N -0.467 118.856 119.600 -0.460 0.000 2.213 176 M HA -0.032 4.448 4.480 -0.000 0.000 0.263 176 M C 2.248 178.292 176.300 -0.426 0.000 1.062 176 M CA 1.444 56.531 55.300 -0.355 0.000 1.105 176 M CB -1.121 31.358 32.600 -0.202 0.000 1.385 176 M HN 0.283 nan 8.290 nan 0.000 0.417 177 G N -0.176 108.262 108.800 -0.603 0.000 2.404 177 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.215 177 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.215 177 G C 1.624 175.704 174.900 -1.366 0.000 1.174 177 G CA 0.826 45.418 45.100 -0.846 0.000 0.780 177 G HN 0.353 nan 8.290 nan 0.000 0.537 178 V N 0.849 120.067 119.914 -1.159 0.000 2.358 178 V HA -0.125 3.994 4.120 -0.000 0.000 0.246 178 V C 2.742 178.516 176.094 -0.532 0.000 1.047 178 V CA 1.838 63.620 62.300 -0.865 0.000 1.035 178 V CB -0.434 31.142 31.823 -0.413 0.000 0.658 178 V HN 0.293 nan 8.190 nan 0.000 0.452 179 E N 0.682 120.659 120.200 -0.371 0.000 2.038 179 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 179 E C 2.206 178.647 176.600 -0.265 0.000 1.000 179 E CA 1.619 57.885 56.400 -0.223 0.000 0.803 179 E CB -0.657 28.915 29.700 -0.213 0.000 0.750 179 E HN 0.720 nan 8.360 nan 0.000 0.448 180 N N 0.675 119.165 118.700 -0.350 0.000 2.120 180 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 180 N C 2.083 177.312 175.510 -0.467 0.000 1.024 180 N CA 1.486 54.296 53.050 -0.400 0.000 0.852 180 N CB -0.167 38.102 38.487 -0.363 0.000 1.003 180 N HN 0.114 nan 8.380 nan 0.000 0.424 181 G N -0.037 108.553 108.800 -0.350 0.000 2.421 181 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 181 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 181 G C 0.887 175.791 174.900 0.008 0.000 1.171 181 G CA 0.221 45.256 45.100 -0.108 0.000 0.775 181 G HN 0.389 nan 8.290 nan 0.000 0.543 182 F N 1.845 121.645 119.950 -0.250 0.000 2.777 182 F HA 0.363 4.890 4.527 -0.000 0.000 0.291 182 F C -0.103 175.622 175.800 -0.125 0.000 1.187 182 F CA -1.677 56.199 58.000 -0.206 0.000 1.406 182 F CB -0.007 38.782 39.000 -0.352 0.000 0.982 182 F HN -0.061 nan 8.300 nan 0.000 0.509 183 D N 0.477 120.802 120.400 -0.125 0.000 2.303 183 D HA 0.365 5.004 4.640 -0.000 0.000 0.236 183 D C 0.803 177.165 176.300 0.104 0.000 1.068 183 D CA 0.073 54.030 54.000 -0.071 0.000 0.830 183 D CB 2.041 42.814 40.800 -0.045 0.000 1.109 183 D HN 0.234 nan 8.370 nan 0.000 0.496 184 A N 2.858 125.661 122.820 -0.029 0.000 2.021 184 A HA 0.145 4.465 4.320 -0.000 0.000 0.216 184 A C 1.765 179.491 177.584 0.238 0.000 1.163 184 A CA 1.103 53.171 52.037 0.052 0.000 0.676 184 A CB -0.117 18.795 19.000 -0.147 0.000 0.818 184 A HN 0.591 nan 8.150 nan 0.000 0.453 185 G N -1.030 107.891 108.800 0.201 0.000 2.985 185 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.209 185 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.209 185 G C 1.211 176.240 174.900 0.215 0.000 1.165 185 G CA 0.777 46.014 45.100 0.229 0.000 0.776 185 G HN 0.842 nan 8.290 nan 0.000 0.541 186 H N 0.579 119.722 119.070 0.120 0.000 2.547 186 H HA -0.030 4.526 4.556 -0.000 0.000 0.272 186 H C 2.111 177.490 175.328 0.085 0.000 0.989 186 H CA 1.115 57.209 56.048 0.078 0.000 1.214 186 H CB -0.427 29.347 29.762 0.021 0.000 1.389 186 H HN 0.236 nan 8.280 nan 0.000 0.577 187 V N -1.496 118.276 119.914 -0.237 0.000 2.794 187 V HA -0.225 3.894 4.120 -0.000 0.000 0.260 187 V C 2.292 178.372 176.094 -0.023 0.000 1.103 187 V CA 1.495 63.718 62.300 -0.129 0.000 1.125 187 V CB -1.816 30.004 31.823 -0.004 0.000 0.702 187 V HN 0.249 nan 8.190 nan 0.000 0.494 188 F N 2.601 122.475 119.950 -0.126 0.000 2.161 188 F HA -0.160 4.367 4.527 -0.000 0.000 0.300 188 F C 2.028 177.754 175.800 -0.124 0.000 1.089 188 F CA 2.234 60.175 58.000 -0.098 0.000 1.282 188 F CB -0.200 38.760 39.000 -0.068 0.000 1.010 188 F HN 0.358 nan 8.300 nan 0.000 0.485 189 I N -2.719 117.775 120.570 -0.128 0.000 2.756 189 I HA -0.183 3.986 4.170 -0.000 0.000 0.262 189 I C 1.398 177.267 176.117 -0.413 0.000 1.225 189 I CA 1.373 62.499 61.300 -0.290 0.000 1.472 189 I CB -0.787 37.032 38.000 -0.303 0.000 1.094 189 I HN 0.085 nan 8.210 nan 0.000 0.454 190 H N 2.553 121.475 119.070 -0.247 0.000 2.551 190 H HA 0.124 4.680 4.556 -0.000 0.000 0.271 190 H C 1.627 176.848 175.328 -0.178 0.000 0.984 190 H CA 0.466 56.319 56.048 -0.325 0.000 1.164 190 H CB 0.048 29.468 29.762 -0.569 0.000 1.437 190 H HN 0.591 nan 8.280 nan 0.000 0.550 191 K N 0.336 120.665 120.400 -0.118 0.000 2.360 191 K HA -0.030 4.290 4.320 -0.000 0.000 0.201 191 K C 0.903 177.467 176.600 -0.060 0.000 1.046 191 K CA 1.260 57.486 56.287 -0.102 0.000 0.940 191 K CB 0.138 32.489 32.500 -0.249 0.000 0.748 191 K HN -0.111 nan 8.250 nan 0.000 0.465 192 S N 0.716 116.375 115.700 -0.068 0.000 2.593 192 S HA 0.058 4.528 4.470 -0.000 0.000 0.236 192 S C 0.005 174.607 174.600 0.004 0.000 0.991 192 S CA -0.528 57.653 58.200 -0.031 0.000 0.963 192 S CB 0.656 63.825 63.200 -0.052 0.000 0.865 192 S HN 0.378 nan 8.310 nan 0.000 0.488 193 S N 2.014 117.731 115.700 0.029 0.000 2.549 193 S HA 0.126 4.595 4.470 -0.000 0.000 0.286 193 S C 1.498 176.144 174.600 0.078 0.000 1.314 193 S CA -0.500 57.752 58.200 0.086 0.000 1.062 193 S CB -0.001 63.317 63.200 0.198 0.000 0.865 193 S HN 0.505 nan 8.310 nan 0.000 0.498 194 I N 3.340 123.960 120.570 0.083 0.000 2.756 194 I HA -0.021 4.149 4.170 -0.000 0.000 0.262 194 I C 1.872 178.027 176.117 0.063 0.000 1.225 194 I CA 0.917 62.253 61.300 0.060 0.000 1.472 194 I CB -0.384 37.646 38.000 0.051 0.000 1.094 194 I HN 0.572 nan 8.210 nan 0.000 0.454 195 L N 1.271 122.563 121.223 0.115 0.000 2.201 195 L HA -0.072 4.267 4.340 -0.000 0.000 0.212 195 L C 2.219 179.101 176.870 0.020 0.000 1.105 195 L CA 1.613 56.511 54.840 0.097 0.000 0.775 195 L CB -0.423 41.728 42.059 0.153 0.000 0.913 195 L HN 0.261 nan 8.230 nan 0.000 0.440 196 L N -0.715 120.480 121.223 -0.047 0.000 1.955 196 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 196 L C 2.256 179.043 176.870 -0.139 0.000 1.072 196 L CA 1.729 56.386 54.840 -0.305 0.000 0.755 196 L CB -1.057 40.546 42.059 -0.761 0.000 0.888 196 L HN 0.224 nan 8.230 nan 0.000 0.432 197 D N 0.183 120.588 120.400 0.008 0.000 2.149 197 D HA -0.091 4.549 4.640 -0.000 0.000 0.201 197 D C 2.155 178.505 176.300 0.084 0.000 0.972 197 D CA 1.337 55.434 54.000 0.162 0.000 0.835 197 D CB -0.381 40.509 40.800 0.150 0.000 0.966 197 D HN 0.344 nan 8.370 nan 0.000 0.476 198 G N 0.106 108.932 108.800 0.044 0.000 2.479 198 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 198 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 198 G C 1.333 176.248 174.900 0.025 0.000 1.115 198 G CA 0.766 45.878 45.100 0.020 0.000 0.757 198 G HN 0.230 nan 8.290 nan 0.000 0.560 199 N N -0.616 118.117 118.700 0.054 0.000 2.301 199 N HA 0.064 4.804 4.740 -0.000 0.000 0.247 199 N C -0.082 175.477 175.510 0.083 0.000 1.347 199 N CA 0.214 53.311 53.050 0.079 0.000 0.844 199 N CB 0.069 38.639 38.487 0.139 0.000 1.332 199 N HN 0.016 nan 8.380 nan 0.000 0.494 200 D N 0.117 120.580 120.400 0.105 0.000 2.686 200 D HA -0.229 4.410 4.640 -0.000 0.000 0.235 200 D C -0.937 175.450 176.300 0.145 0.000 1.160 200 D CA 0.545 54.630 54.000 0.141 0.000 0.645 200 D CB -1.164 39.689 40.800 0.089 0.000 1.039 200 D HN 0.334 nan 8.370 nan 0.000 0.423 201 I N 0.648 121.304 120.570 0.142 0.000 2.428 201 I HA 0.459 4.628 4.170 -0.000 0.000 0.289 201 I C 0.882 177.148 176.117 0.248 0.000 1.019 201 I CA -0.263 61.108 61.300 0.117 0.000 1.351 201 I CB 1.339 39.347 38.000 0.014 0.000 1.412 201 I HN 0.285 nan 8.210 nan 0.000 0.513 202 A N 7.433 130.397 122.820 0.240 0.000 2.279 202 A HA 0.596 4.916 4.320 -0.000 0.000 0.306 202 A C -0.826 176.988 177.584 0.383 0.000 1.300 202 A CA -0.278 51.969 52.037 0.349 0.000 0.925 202 A CB -0.092 19.078 19.000 0.283 0.000 1.152 202 A HN 0.570 nan 8.150 nan 0.000 0.544 203 L N 6.347 127.831 121.223 0.434 0.000 2.372 203 L HA 0.551 4.890 4.340 -0.000 0.000 0.273 203 L C -2.380 174.546 176.870 0.094 0.000 0.989 203 L CA -1.676 53.313 54.840 0.249 0.000 0.841 203 L CB 2.170 44.360 42.059 0.217 0.000 1.225 203 L HN 0.461 nan 8.230 nan 0.000 0.414 204 P HA 0.174 nan 4.420 nan 0.000 0.279 204 P C 0.591 177.636 177.300 -0.425 0.000 1.282 204 P CA -0.321 62.248 63.100 -0.885 0.000 0.788 204 P CB 1.334 32.237 31.700 -1.328 0.000 1.139 205 L N -1.203 119.801 121.223 -0.366 0.000 2.127 205 L HA 0.201 4.541 4.340 -0.000 0.000 0.203 205 L C 1.632 178.396 176.870 -0.177 0.000 1.080 205 L CA 1.650 56.432 54.840 -0.097 0.000 0.768 205 L CB -0.653 41.429 42.059 0.038 0.000 0.924 205 L HN 0.606 nan 8.230 nan 0.000 0.444 206 G N -1.844 106.680 108.800 -0.459 0.000 2.604 206 G HA2 0.469 4.429 3.960 -0.000 0.000 0.242 206 G HA3 0.469 4.429 3.960 -0.000 0.000 0.242 206 G C -1.827 172.480 174.900 -0.989 0.000 1.208 206 G CA -0.449 44.319 45.100 -0.553 0.000 0.912 206 G HN -0.136 nan 8.290 nan 0.000 0.502 207 F N -0.381 119.523 119.950 -0.076 0.000 2.654 207 F HA 0.697 5.224 4.527 -0.000 0.000 0.308 207 F C 0.141 175.893 175.800 -0.080 0.000 1.108 207 F CA -0.618 57.333 58.000 -0.082 0.000 0.957 207 F CB 2.593 41.538 39.000 -0.090 0.000 1.309 207 F HN 0.684 nan 8.300 nan 0.000 0.446 208 A N 3.019 125.925 122.820 0.144 0.000 2.801 208 A HA 0.708 5.028 4.320 -0.000 0.000 0.344 208 A C -2.717 174.897 177.584 0.050 0.000 1.322 208 A CA -1.664 50.410 52.037 0.061 0.000 0.913 208 A CB -0.535 18.495 19.000 0.049 0.000 1.140 208 A HN 0.376 nan 8.150 nan 0.000 0.487 209 P HA 0.136 nan 4.420 nan 0.000 0.267 209 P C 0.984 178.283 177.300 -0.001 0.000 1.195 209 P CA 0.652 63.741 63.100 -0.018 0.000 0.773 209 P CB 0.856 32.506 31.700 -0.082 0.000 0.837 210 G N 1.165 109.974 108.800 0.014 0.000 2.882 210 G HA2 0.166 4.126 3.960 -0.000 0.000 0.164 210 G HA3 0.166 4.126 3.960 -0.000 0.000 0.164 210 G C -0.598 174.310 174.900 0.013 0.000 1.429 210 G CA -0.451 44.665 45.100 0.027 0.000 1.059 210 G HN 0.623 nan 8.290 nan 0.000 0.581 211 D N 1.281 121.696 120.400 0.025 0.000 2.472 211 D HA 0.008 4.647 4.640 -0.000 0.000 0.248 211 D C -1.508 174.788 176.300 -0.008 0.000 1.174 211 D CA -0.891 53.117 54.000 0.012 0.000 0.883 211 D CB 1.638 42.452 40.800 0.023 0.000 1.149 211 D HN 0.097 nan 8.370 nan 0.000 0.488 212 P HA -0.184 nan 4.420 nan 0.000 0.221 212 P C 0.778 178.059 177.300 -0.031 0.000 1.145 212 P CA 0.993 64.076 63.100 -0.029 0.000 0.795 212 P CB 0.373 32.064 31.700 -0.015 0.000 0.775 213 E N -0.296 119.892 120.200 -0.020 0.000 2.358 213 E HA -0.087 4.262 4.350 -0.000 0.000 0.195 213 E C 1.683 178.257 176.600 -0.043 0.000 1.010 213 E CA 0.624 57.012 56.400 -0.020 0.000 0.856 213 E CB -0.190 29.508 29.700 -0.003 0.000 0.795 213 E HN 0.463 nan 8.360 nan 0.000 0.504 214 Q N 0.228 119.989 119.800 -0.066 0.000 2.172 214 Q HA 0.212 4.552 4.340 -0.000 0.000 0.217 214 Q C 1.303 177.102 176.000 -0.335 0.000 0.832 214 Q CA -0.129 55.584 55.803 -0.151 0.000 1.010 214 Q CB 0.398 29.106 28.738 -0.049 0.000 1.133 214 Q HN 0.179 nan 8.270 nan 0.000 0.489 215 L N 0.065 121.164 121.223 -0.207 0.000 2.418 215 L HA 0.103 4.443 4.340 -0.000 0.000 0.218 215 L C 0.933 177.688 176.870 -0.191 0.000 1.125 215 L CA 0.794 55.503 54.840 -0.219 0.000 0.835 215 L CB 0.091 42.063 42.059 -0.146 0.000 0.953 215 L HN 0.215 nan 8.230 nan 0.000 0.454 216 T N -2.594 111.881 114.554 -0.132 0.000 2.864 216 T HA 0.570 4.920 4.350 -0.000 0.000 0.299 216 T C -0.748 173.942 174.700 -0.017 0.000 1.166 216 T CA -0.872 61.203 62.100 -0.042 0.000 1.007 216 T CB 3.014 71.890 68.868 0.012 0.000 1.219 216 T HN 0.043 nan 8.240 nan 0.000 0.506 217 R N 0.658 121.196 120.500 0.064 0.000 2.533 217 R HA 0.639 4.979 4.340 -0.000 0.000 0.288 217 R C -1.321 175.053 176.300 0.123 0.000 1.039 217 R CA -0.425 55.725 56.100 0.083 0.000 0.909 217 R CB 2.049 32.399 30.300 0.084 0.000 1.195 217 R HN 0.786 nan 8.270 nan 0.000 0.438 218 S N 1.975 117.715 115.700 0.067 0.000 2.565 218 S HA 0.544 5.013 4.470 -0.000 0.000 0.290 218 S C -0.964 173.663 174.600 0.046 0.000 1.150 218 S CA -0.631 57.581 58.200 0.020 0.000 1.058 218 S CB 1.950 65.151 63.200 0.002 0.000 1.032 218 S HN 0.345 nan 8.310 nan 0.000 0.510 219 V N 2.090 122.007 119.914 0.005 0.000 2.407 219 V HA 0.488 4.607 4.120 -0.000 0.000 0.291 219 V C 0.437 176.497 176.094 -0.057 0.000 1.018 219 V CA -0.451 61.887 62.300 0.062 0.000 0.842 219 V CB 1.365 33.332 31.823 0.240 0.000 0.996 219 V HN 1.002 nan 8.190 nan 0.000 0.426 220 T N 3.035 117.516 114.554 -0.123 0.000 3.275 220 T HA 0.310 4.660 4.350 -0.000 0.000 0.298 220 T C 0.777 175.323 174.700 -0.257 0.000 0.988 220 T CA 0.456 62.345 62.100 -0.353 0.000 0.936 220 T CB -0.325 68.215 68.868 -0.547 0.000 1.159 220 T HN 0.840 nan 8.240 nan 0.000 0.519 221 G N 0.987 109.729 108.800 -0.097 0.000 2.594 221 G HA2 0.450 4.409 3.960 -0.000 0.000 0.243 221 G HA3 0.450 4.409 3.960 -0.000 0.000 0.243 221 G C -0.519 174.352 174.900 -0.049 0.000 1.229 221 G CA -0.311 44.760 45.100 -0.049 0.000 0.843 221 G HN 0.405 nan 8.290 nan 0.000 0.578 222 E N -0.848 119.339 120.200 -0.022 0.000 2.319 222 E HA 0.503 4.853 4.350 -0.000 0.000 0.268 222 E C 1.066 177.667 176.600 0.001 0.000 1.050 222 E CA 0.671 57.065 56.400 -0.011 0.000 0.878 222 E CB 1.264 30.966 29.700 0.004 0.000 1.066 222 E HN 0.952 nan 8.360 nan 0.000 0.406 223 G N 0.193 108.996 108.800 0.005 0.000 2.241 223 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.244 223 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.244 223 G C 0.305 175.214 174.900 0.015 0.000 0.998 223 G CA 0.099 45.207 45.100 0.014 0.000 0.621 223 G HN 0.854 nan 8.290 nan 0.000 0.519 224 A N 0.378 123.207 122.820 0.015 0.000 2.485 224 A HA 0.939 5.259 4.320 -0.000 0.000 0.292 224 A C -2.635 174.970 177.584 0.035 0.000 1.147 224 A CA -0.963 51.083 52.037 0.015 0.000 0.750 224 A CB 1.648 20.659 19.000 0.017 0.000 1.331 224 A HN 0.263 nan 8.150 nan 0.000 0.419 225 P HA 0.189 nan 4.420 nan 0.000 0.269 225 P C -1.118 176.344 177.300 0.270 0.000 1.209 225 P CA 0.257 63.415 63.100 0.097 0.000 0.776 225 P CB 0.459 32.103 31.700 -0.093 0.000 0.876 226 K N 1.374 121.955 120.400 0.301 0.000 2.244 226 K HA 0.732 5.052 4.320 -0.000 0.000 0.260 226 K C 0.315 177.037 176.600 0.204 0.000 0.951 226 K CA -0.606 55.797 56.287 0.193 0.000 0.826 226 K CB 2.059 34.534 32.500 -0.041 0.000 1.108 226 K HN 0.729 nan 8.250 nan 0.000 0.433 227 G N 0.534 109.227 108.800 -0.178 0.000 2.561 227 G HA2 0.476 4.436 3.960 -0.000 0.000 0.310 227 G HA3 0.476 4.436 3.960 -0.000 0.000 0.310 227 G C -1.713 172.693 174.900 -0.824 0.000 1.292 227 G CA -0.515 44.124 45.100 -0.767 0.000 0.811 227 G HN 0.298 nan 8.290 nan 0.000 0.482 228 V N 0.084 119.389 119.914 -1.014 0.000 2.656 228 V HA 0.625 4.745 4.120 -0.000 0.000 0.307 228 V C -1.254 174.463 176.094 -0.628 0.000 1.051 228 V CA -0.615 61.335 62.300 -0.584 0.000 0.893 228 V CB 1.668 33.331 31.823 -0.266 0.000 0.999 228 V HN 0.543 nan 8.190 nan 0.000 0.426 229 F N 2.079 121.946 119.950 -0.139 0.000 2.420 229 F HA 0.430 4.957 4.527 -0.000 0.000 0.342 229 F C 0.366 176.223 175.800 0.094 0.000 1.113 229 F CA -0.563 57.434 58.000 -0.004 0.000 1.059 229 F CB 1.333 40.331 39.000 -0.003 0.000 1.128 229 F HN 0.534 nan 8.300 nan 0.000 0.475 230 D N 4.462 125.044 120.400 0.304 0.000 2.339 230 D HA 0.215 4.855 4.640 -0.000 0.000 0.241 230 D C -0.055 176.236 176.300 -0.015 0.000 1.183 230 D CA 0.075 54.090 54.000 0.025 0.000 0.859 230 D CB 0.522 41.191 40.800 -0.217 0.000 1.067 230 D HN 0.517 nan 8.370 nan 0.000 0.484 231 L N 4.583 125.752 121.223 -0.091 0.000 2.928 231 L HA 0.207 4.547 4.340 -0.000 0.000 0.246 231 L C 1.787 178.551 176.870 -0.176 0.000 1.239 231 L CA -0.269 54.480 54.840 -0.151 0.000 1.035 231 L CB 0.171 42.026 42.059 -0.341 0.000 1.360 231 L HN 0.463 nan 8.230 nan 0.000 0.529 232 L N -0.027 121.065 121.223 -0.220 0.000 2.109 232 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 232 L C 2.298 179.002 176.870 -0.277 0.000 1.086 232 L CA 1.314 55.993 54.840 -0.270 0.000 0.760 232 L CB -0.113 41.691 42.059 -0.426 0.000 0.910 232 L HN 0.427 nan 8.230 nan 0.000 0.437 233 G N -0.411 108.197 108.800 -0.321 0.000 2.639 233 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.216 233 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.216 233 G C 1.217 176.100 174.900 -0.028 0.000 1.267 233 G CA 0.800 45.759 45.100 -0.236 0.000 0.801 233 G HN 0.493 nan 8.290 nan 0.000 0.592 234 E N 0.423 120.668 120.200 0.075 0.000 2.533 234 E HA -0.099 4.251 4.350 -0.000 0.000 0.203 234 E C -0.062 176.452 176.600 -0.143 0.000 1.101 234 E CA 0.181 56.606 56.400 0.041 0.000 0.894 234 E CB -0.053 29.702 29.700 0.092 0.000 0.843 234 E HN 0.649 nan 8.360 nan 0.000 0.552 235 H N -1.149 117.883 119.070 -0.064 0.000 2.825 235 H HA 0.242 4.798 4.556 -0.000 0.000 0.226 235 H C -0.863 174.436 175.328 -0.048 0.000 1.414 235 H CA 0.047 56.065 56.048 -0.049 0.000 1.198 235 H CB 0.455 30.184 29.762 -0.056 0.000 2.013 235 H HN 0.102 nan 8.280 nan 0.000 0.530 236 S N -1.363 114.365 115.700 0.047 0.000 2.694 236 S HA 0.548 5.017 4.470 -0.000 0.000 0.273 236 S C -1.612 173.044 174.600 0.093 0.000 1.180 236 S CA -0.849 57.389 58.200 0.063 0.000 0.864 236 S CB 1.230 64.466 63.200 0.060 0.000 1.198 236 S HN -0.029 nan 8.310 nan 0.000 0.499 237 V N 2.975 122.964 119.914 0.125 0.000 2.349 237 V HA 0.534 4.653 4.120 -0.000 0.000 0.284 237 V C -2.398 173.794 176.094 0.163 0.000 1.014 237 V CA -1.706 60.670 62.300 0.127 0.000 0.826 237 V CB 1.329 33.203 31.823 0.086 0.000 1.009 237 V HN 0.807 nan 8.190 nan 0.000 0.431 238 P HA 0.158 nan 4.420 nan 0.000 0.268 238 P C -0.684 176.532 177.300 -0.140 0.000 1.204 238 P CA -0.042 63.076 63.100 0.031 0.000 0.768 238 P CB 1.011 32.755 31.700 0.074 0.000 0.842 239 I N 4.126 124.482 120.570 -0.357 0.000 2.291 239 I HA 0.139 4.308 4.170 -0.000 0.000 0.292 239 I C 0.894 176.807 176.117 -0.339 0.000 1.064 239 I CA -0.300 60.859 61.300 -0.234 0.000 1.269 239 I CB -0.589 37.301 38.000 -0.183 0.000 1.418 239 I HN 0.287 nan 8.210 nan 0.000 0.485 240 F N 3.788 123.724 119.950 -0.023 0.000 2.695 240 F HA 0.094 4.621 4.527 -0.000 0.000 0.303 240 F C 0.780 176.586 175.800 0.010 0.000 1.091 240 F CA -0.154 57.843 58.000 -0.004 0.000 1.300 240 F CB 0.479 39.481 39.000 0.004 0.000 1.071 240 F HN 0.541 nan 8.300 nan 0.000 0.578 241 E N -0.290 119.996 120.200 0.144 0.000 2.363 241 E HA 0.696 5.046 4.350 -0.000 0.000 0.281 241 E C -1.477 175.163 176.600 0.067 0.000 0.953 241 E CA -0.985 55.477 56.400 0.103 0.000 0.778 241 E CB 1.339 31.098 29.700 0.098 0.000 1.220 241 E HN -0.032 nan 8.360 nan 0.000 0.431 242 A N 1.442 124.298 122.820 0.061 0.000 2.539 242 A HA 0.886 5.206 4.320 -0.000 0.000 0.296 242 A C -0.424 177.185 177.584 0.041 0.000 1.073 242 A CA -0.293 51.770 52.037 0.044 0.000 0.700 242 A CB 1.628 20.651 19.000 0.038 0.000 1.296 242 A HN 1.035 nan 8.150 nan 0.000 0.405 243 T N -1.182 113.389 114.554 0.028 0.000 2.949 243 T HA 0.800 5.149 4.350 -0.000 0.000 0.287 243 T C -0.426 174.283 174.700 0.015 0.000 1.034 243 T CA -0.577 61.537 62.100 0.023 0.000 1.018 243 T CB 1.049 69.929 68.868 0.020 0.000 1.135 243 T HN 0.492 nan 8.240 nan 0.000 0.532 244 I N 1.340 121.917 120.570 0.013 0.000 2.439 244 I HA 0.299 4.469 4.170 -0.000 0.000 0.285 244 I C -0.021 176.099 176.117 0.004 0.000 1.021 244 I CA -0.667 60.636 61.300 0.005 0.000 1.091 244 I CB 1.456 39.460 38.000 0.006 0.000 1.242 244 I HN 0.917 nan 8.210 nan 0.000 0.439 245 E N 4.589 124.790 120.200 0.001 0.000 2.297 245 E HA -0.278 4.072 4.350 -0.000 0.000 0.228 245 E C 1.093 177.696 176.600 0.004 0.000 1.213 245 E CA 0.606 57.007 56.400 0.001 0.000 0.712 245 E CB -1.122 28.577 29.700 -0.001 0.000 1.202 245 E HN 1.215 nan 8.360 nan 0.000 0.376 246 G N -0.720 108.084 108.800 0.007 0.000 2.212 246 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.266 246 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.266 246 G C 0.227 175.133 174.900 0.010 0.000 0.978 246 G CA 0.853 45.958 45.100 0.009 0.000 0.632 246 G HN 0.280 nan 8.290 nan 0.000 0.537 247 Q N 0.419 120.226 119.800 0.010 0.000 2.226 247 Q HA 0.501 4.841 4.340 -0.000 0.000 0.256 247 Q C -2.592 173.418 176.000 0.016 0.000 0.962 247 Q CA -2.213 53.597 55.803 0.012 0.000 0.887 247 Q CB 1.176 29.920 28.738 0.010 0.000 1.282 247 Q HN 0.145 nan 8.270 nan 0.000 0.449 248 P HA -0.000 nan 4.420 nan 0.000 0.264 248 P C -0.620 176.695 177.300 0.025 0.000 1.193 248 P CA 0.519 63.633 63.100 0.022 0.000 0.763 248 P CB 0.728 32.440 31.700 0.020 0.000 0.810 249 A N 4.292 127.131 122.820 0.033 0.000 1.921 249 A HA 0.403 4.723 4.320 -0.000 0.000 0.202 249 A C 0.290 177.904 177.584 0.050 0.000 1.721 249 A CA 0.500 52.560 52.037 0.039 0.000 1.025 249 A CB 0.054 19.078 19.000 0.041 0.000 1.060 249 A HN 0.502 nan 8.150 nan 0.000 0.535 250 I N -0.587 120.020 120.570 0.063 0.000 3.004 250 I HA 0.433 4.603 4.170 -0.000 0.000 0.305 250 I C -2.008 174.155 176.117 0.077 0.000 1.312 250 I CA -0.708 60.636 61.300 0.073 0.000 0.992 250 I CB 2.186 40.252 38.000 0.109 0.000 1.282 250 I HN 0.402 nan 8.210 nan 0.000 0.449 251 Q N 2.647 122.492 119.800 0.075 0.000 2.413 251 Q HA 0.551 4.891 4.340 -0.000 0.000 0.276 251 Q C -0.217 175.851 176.000 0.115 0.000 1.099 251 Q CA -0.784 55.076 55.803 0.095 0.000 0.814 251 Q CB 2.289 31.073 28.738 0.077 0.000 1.379 251 Q HN 0.802 nan 8.270 nan 0.000 0.436 252 G N -0.080 108.826 108.800 0.177 0.000 2.546 252 G HA2 0.066 4.025 3.960 -0.000 0.000 0.239 252 G HA3 0.066 4.025 3.960 -0.000 0.000 0.239 252 G C -0.765 174.317 174.900 0.303 0.000 1.476 252 G CA 0.070 45.301 45.100 0.218 0.000 1.064 252 G HN 0.612 nan 8.290 nan 0.000 0.561 253 H N 0.096 119.344 119.070 0.295 0.000 2.917 253 H HA 0.363 4.919 4.556 -0.000 0.000 0.279 253 H C -0.099 175.386 175.328 0.262 0.000 1.211 253 H CA -0.385 55.794 56.048 0.219 0.000 1.534 253 H CB 0.194 30.050 29.762 0.156 0.000 1.581 253 H HN 0.245 nan 8.280 nan 0.000 0.510 254 M N 2.284 121.866 119.600 -0.031 0.000 2.232 254 M HA 0.307 4.786 4.480 -0.000 0.000 0.321 254 M C 0.862 177.117 176.300 -0.075 0.000 1.101 254 M CA 0.786 55.973 55.300 -0.188 0.000 1.181 254 M CB 1.102 33.469 32.600 -0.388 0.000 1.432 254 M HN 0.757 nan 8.290 nan 0.000 0.457 255 G N -0.217 108.583 108.800 -0.001 0.000 2.550 255 G HA2 0.384 4.344 3.960 -0.000 0.000 0.293 255 G HA3 0.384 4.344 3.960 -0.000 0.000 0.293 255 G C -0.593 174.328 174.900 0.035 0.000 1.402 255 G CA -0.589 44.549 45.100 0.062 0.000 0.784 255 G HN 0.575 nan 8.290 nan 0.000 0.482 256 S N -0.872 114.855 115.700 0.044 0.000 2.502 256 S HA 0.188 4.658 4.470 -0.000 0.000 0.215 256 S C 0.772 175.399 174.600 0.046 0.000 1.009 256 S CA 0.184 58.402 58.200 0.031 0.000 0.908 256 S CB 0.081 63.292 63.200 0.019 0.000 0.801 256 S HN 0.373 nan 8.310 nan 0.000 0.505 257 K N 2.317 122.753 120.400 0.059 0.000 2.285 257 K HA 0.284 4.604 4.320 -0.000 0.000 0.286 257 K C -0.745 175.893 176.600 0.064 0.000 1.072 257 K CA 0.017 56.334 56.287 0.049 0.000 0.913 257 K CB 0.550 33.072 32.500 0.037 0.000 1.067 257 K HN 0.107 nan 8.250 nan 0.000 0.479 258 M N 4.307 123.944 119.600 0.061 0.000 2.084 258 M HA 0.189 4.669 4.480 -0.000 0.000 0.351 258 M C 0.046 176.390 176.300 0.072 0.000 1.240 258 M CA -0.682 54.669 55.300 0.086 0.000 1.083 258 M CB 0.243 32.893 32.600 0.084 0.000 1.593 258 M HN 0.366 nan 8.290 nan 0.000 0.463 259 V N 0.424 120.400 119.914 0.104 0.000 3.164 259 V HA 0.973 5.093 4.120 -0.000 0.000 0.313 259 V C 0.584 176.788 176.094 0.184 0.000 1.188 259 V CA -0.906 61.469 62.300 0.125 0.000 1.058 259 V CB 1.254 33.141 31.823 0.106 0.000 1.110 259 V HN 1.057 nan 8.190 nan 0.000 0.453 260 A N 0.242 123.189 122.820 0.211 0.000 2.610 260 A HA -0.173 4.147 4.320 -0.000 0.000 0.299 260 A C 0.658 178.303 177.584 0.100 0.000 1.487 260 A CA 1.416 53.530 52.037 0.128 0.000 0.743 260 A CB -2.153 16.907 19.000 0.100 0.000 1.070 260 A HN 1.074 nan 8.150 nan 0.000 0.439 261 I N -0.580 120.045 120.570 0.091 0.000 2.480 261 I HA 0.020 4.189 4.170 -0.000 0.000 0.251 261 I C 1.314 177.474 176.117 0.071 0.000 1.124 261 I CA 1.512 62.857 61.300 0.076 0.000 1.444 261 I CB 0.245 38.285 38.000 0.067 0.000 1.098 261 I HN 0.613 nan 8.210 nan 0.000 0.428 262 S N 1.276 117.031 115.700 0.092 0.000 2.756 262 S HA 0.567 5.037 4.470 -0.000 0.000 0.303 262 S C -0.705 173.996 174.600 0.168 0.000 1.135 262 S CA -0.609 57.678 58.200 0.145 0.000 1.066 262 S CB 0.416 63.720 63.200 0.174 0.000 1.008 262 S HN 0.076 nan 8.310 nan 0.000 0.482 263 I N 4.113 124.788 120.570 0.174 0.000 2.493 263 I HA 0.614 4.784 4.170 -0.000 0.000 0.298 263 I C -0.115 176.160 176.117 0.262 0.000 0.998 263 I CA -0.556 60.849 61.300 0.174 0.000 1.137 263 I CB 2.224 40.289 38.000 0.109 0.000 1.310 263 I HN 0.734 nan 8.210 nan 0.000 0.445 264 S N 4.407 120.196 115.700 0.149 0.000 2.550 264 S HA 0.686 5.156 4.470 -0.000 0.000 0.270 264 S C -1.296 172.973 174.600 -0.552 0.000 1.145 264 S CA -0.795 57.259 58.200 -0.243 0.000 0.852 264 S CB 2.161 65.041 63.200 -0.533 0.000 1.119 264 S HN 0.429 nan 8.310 nan 0.000 0.465 265 V N 2.036 121.173 119.914 -1.295 0.000 2.680 265 V HA 0.879 4.999 4.120 -0.000 0.000 0.309 265 V C -2.089 173.262 176.094 -1.238 0.000 1.052 265 V CA -0.537 61.067 62.300 -1.160 0.000 0.908 265 V CB 1.445 32.316 31.823 -1.585 0.000 1.001 265 V HN 0.968 nan 8.190 nan 0.000 0.431 266 W N 4.383 125.459 121.300 -0.375 0.000 2.936 266 W HA 0.669 5.329 4.660 -0.001 0.000 0.338 266 W C -0.489 176.058 176.519 0.047 0.000 1.121 266 W CA -0.795 56.466 57.345 -0.139 0.000 1.209 266 W CB 1.418 30.784 29.460 -0.157 0.000 1.420 266 W HN 0.434 nan 8.180 nan 0.000 0.516 267 L N 4.542 125.999 121.223 0.391 0.000 2.483 267 L HA 0.074 4.414 4.340 -0.000 0.000 0.276 267 L C -0.804 176.181 176.870 0.192 0.000 1.213 267 L CA -1.088 53.944 54.840 0.320 0.000 0.843 267 L CB 0.808 42.957 42.059 0.149 0.000 1.107 267 L HN 0.246 nan 8.230 nan 0.000 0.487 268 P HA 0.044 nan 4.420 nan 0.000 0.245 268 P C 0.378 177.974 177.300 0.494 0.000 1.212 268 P CA 0.618 63.771 63.100 0.088 0.000 0.774 268 P CB 0.531 32.082 31.700 -0.248 0.000 0.999 269 G N -0.907 108.143 108.800 0.415 0.000 2.618 269 G HA2 0.113 4.073 3.960 -0.000 0.000 0.234 269 G HA3 0.113 4.073 3.960 -0.000 0.000 0.234 269 G C -1.446 173.561 174.900 0.177 0.000 2.826 269 G CA -0.300 45.047 45.100 0.412 0.000 0.836 269 G HN 0.281 nan 8.290 nan 0.000 0.498 270 V N 1.489 121.351 119.914 -0.087 0.000 2.638 270 V HA 0.882 5.002 4.120 -0.000 0.000 0.306 270 V C -0.436 175.528 176.094 -0.217 0.000 1.052 270 V CA -1.061 61.005 62.300 -0.389 0.000 0.885 270 V CB 1.807 33.040 31.823 -0.984 0.000 0.999 270 V HN 0.780 nan 8.190 nan 0.000 0.424 271 L N 5.811 126.934 121.223 -0.166 0.000 2.343 271 L HA 0.654 4.994 4.340 -0.000 0.000 0.275 271 L C -0.306 176.556 176.870 -0.013 0.000 1.056 271 L CA 0.121 54.938 54.840 -0.037 0.000 0.804 271 L CB 1.369 43.492 42.059 0.107 0.000 1.203 271 L HN 0.803 nan 8.230 nan 0.000 0.440 272 K N 3.607 124.035 120.400 0.046 0.000 2.578 272 K HA 0.566 4.886 4.320 -0.000 0.000 0.250 272 K C -2.061 174.520 176.600 -0.033 0.000 0.955 272 K CA -0.614 55.655 56.287 -0.031 0.000 0.825 272 K CB 1.528 34.105 32.500 0.128 0.000 1.151 272 K HN 0.463 nan 8.250 nan 0.000 0.432 273 V N 3.475 123.313 119.914 -0.127 0.000 2.357 273 V HA 0.302 4.421 4.120 -0.000 0.000 0.284 273 V C -0.908 175.150 176.094 -0.061 0.000 1.018 273 V CA -0.667 61.594 62.300 -0.066 0.000 0.841 273 V CB 1.346 33.085 31.823 -0.141 0.000 0.991 273 V HN 0.771 nan 8.190 nan 0.000 0.437 274 D N 6.690 127.093 120.400 0.005 0.000 2.696 274 D HA 0.559 5.198 4.640 -0.000 0.000 0.251 274 D C -2.830 173.501 176.300 0.051 0.000 1.188 274 D CA -1.447 52.559 54.000 0.009 0.000 0.876 274 D CB 3.432 44.239 40.800 0.011 0.000 1.334 274 D HN 0.294 nan 8.370 nan 0.000 0.540 275 P HA 0.552 nan 4.420 nan 0.000 0.285 275 P C -1.165 176.188 177.300 0.089 0.000 1.269 275 P CA -0.633 62.474 63.100 0.012 0.000 0.844 275 P CB 1.476 33.161 31.700 -0.026 0.000 1.094 276 F N 1.463 121.305 119.950 -0.180 0.000 2.714 276 F HA 0.238 4.765 4.527 -0.000 0.000 0.313 276 F C -2.387 173.249 175.800 -0.272 0.000 1.104 276 F CA -1.398 56.469 58.000 -0.222 0.000 1.005 276 F CB 1.899 40.787 39.000 -0.187 0.000 1.268 276 F HN 0.135 nan 8.300 nan 0.000 0.449 277 P HA 0.093 nan 4.420 nan 0.000 0.255 277 P C -0.878 175.817 177.300 -1.009 0.000 1.357 277 P CA 0.845 62.929 63.100 -1.694 0.000 0.839 277 P CB 0.348 31.335 31.700 -1.188 0.000 1.356 278 D N -0.389 119.585 120.400 -0.710 0.000 2.655 278 D HA 0.190 4.829 4.640 -0.000 0.000 0.229 278 D C -2.407 173.740 176.300 -0.255 0.000 1.229 278 D CA -2.013 51.726 54.000 -0.435 0.000 0.807 278 D CB 2.647 43.141 40.800 -0.509 0.000 1.514 278 D HN -0.348 nan 8.370 nan 0.000 0.444 279 P HA -0.072 nan 4.420 nan 0.000 0.223 279 P C 1.027 178.278 177.300 -0.082 0.000 1.144 279 P CA 1.490 64.546 63.100 -0.074 0.000 0.783 279 P CB 0.113 31.796 31.700 -0.029 0.000 0.771 280 T N -4.928 109.561 114.554 -0.109 0.000 3.122 280 T HA 0.279 4.629 4.350 -0.000 0.000 0.250 280 T C 0.366 174.956 174.700 -0.183 0.000 1.067 280 T CA -0.008 62.026 62.100 -0.109 0.000 0.966 280 T CB -0.474 68.358 68.868 -0.060 0.000 1.002 280 T HN -0.078 nan 8.240 nan 0.000 0.542 281 L N 0.210 121.300 121.223 -0.222 0.000 2.327 281 L HA 0.679 5.019 4.340 -0.000 0.000 0.258 281 L C -0.691 176.085 176.870 -0.157 0.000 1.024 281 L CA -1.039 53.658 54.840 -0.239 0.000 0.825 281 L CB 2.593 44.434 42.059 -0.363 0.000 1.386 281 L HN -0.064 nan 8.230 nan 0.000 0.417 282 T N 0.608 115.094 114.554 -0.113 0.000 2.881 282 T HA 0.324 4.674 4.350 -0.000 0.000 0.290 282 T C -0.993 173.578 174.700 -0.215 0.000 1.000 282 T CA -0.481 61.514 62.100 -0.176 0.000 0.978 282 T CB 1.982 70.724 68.868 -0.209 0.000 0.997 282 T HN 0.488 nan 8.240 nan 0.000 0.443 283 Q N 2.483 122.140 119.800 -0.238 0.000 2.256 283 Q HA 0.644 4.983 4.340 -0.000 0.000 0.257 283 Q C -1.607 174.191 176.000 -0.337 0.000 0.936 283 Q CA -0.650 55.096 55.803 -0.094 0.000 0.903 283 Q CB 0.760 29.583 28.738 0.141 0.000 1.263 283 Q HN 0.556 nan 8.270 nan 0.000 0.440 284 F N 1.894 121.941 119.950 0.161 0.000 2.507 284 F HA 0.445 4.971 4.527 -0.000 0.000 0.325 284 F C -0.218 175.593 175.800 0.018 0.000 1.116 284 F CA -0.683 57.330 58.000 0.021 0.000 0.930 284 F CB 1.943 40.967 39.000 0.039 0.000 1.146 284 F HN 0.429 nan 8.300 nan 0.000 0.447 285 E N 2.764 122.963 120.200 -0.001 0.000 2.272 285 E HA 0.295 4.644 4.350 -0.000 0.000 0.269 285 E C -1.465 174.909 176.600 -0.376 0.000 0.877 285 E CA -0.821 55.553 56.400 -0.044 0.000 0.755 285 E CB 2.581 32.309 29.700 0.046 0.000 1.192 285 E HN 0.501 nan 8.360 nan 0.000 0.422 286 W N 1.632 122.732 121.300 -0.335 0.000 2.689 286 W HA 0.353 5.012 4.660 -0.001 0.000 0.340 286 W C -0.858 175.429 176.519 -0.387 0.000 1.060 286 W CA -0.643 56.538 57.345 -0.273 0.000 1.218 286 W CB 1.617 31.047 29.460 -0.050 0.000 1.410 286 W HN 0.606 nan 8.180 nan 0.000 0.528 287 Y N 1.152 121.777 120.300 0.541 0.000 2.662 287 Y HA 0.253 4.802 4.550 -0.000 0.000 0.358 287 Y C 0.169 176.340 175.900 0.451 0.000 1.041 287 Y CA -0.737 57.668 58.100 0.508 0.000 1.184 287 Y CB 0.193 38.823 38.460 0.283 0.000 1.114 287 Y HN -0.145 nan 8.280 nan 0.000 0.650 288 V N 3.961 124.154 119.914 0.465 0.000 2.439 288 V HA 0.195 4.314 4.120 -0.000 0.000 0.271 288 V C -2.141 174.036 176.094 0.139 0.000 1.040 288 V CA -2.065 60.369 62.300 0.223 0.000 1.002 288 V CB 0.636 32.536 31.823 0.128 0.000 1.000 288 V HN 0.356 nan 8.190 nan 0.000 0.477 289 P HA 0.191 nan 4.420 nan 0.000 0.264 289 P C 0.512 177.792 177.300 -0.033 0.000 1.193 289 P CA 0.361 63.437 63.100 -0.040 0.000 0.763 289 P CB 0.788 32.266 31.700 -0.370 0.000 0.810 290 I N 1.389 122.011 120.570 0.086 0.000 2.900 290 I HA 0.075 4.245 4.170 -0.000 0.000 0.251 290 I C 0.684 176.826 176.117 0.041 0.000 1.102 290 I CA 0.912 62.235 61.300 0.038 0.000 1.457 290 I CB 0.090 38.133 38.000 0.071 0.000 1.285 290 I HN 0.416 nan 8.210 nan 0.000 0.459 291 D N -1.325 119.150 120.400 0.126 0.000 2.812 291 D HA 0.117 4.756 4.640 -0.000 0.000 0.318 291 D C 0.253 176.660 176.300 0.179 0.000 1.234 291 D CA -0.488 53.586 54.000 0.123 0.000 0.989 291 D CB 0.437 41.310 40.800 0.122 0.000 1.442 291 D HN -0.202 nan 8.370 nan 0.000 0.537 292 E N -0.781 119.510 120.200 0.153 0.000 2.209 292 E HA 0.106 4.456 4.350 -0.000 0.000 0.196 292 E C 1.666 178.345 176.600 0.132 0.000 0.993 292 E CA 1.679 58.164 56.400 0.143 0.000 0.819 292 E CB -0.277 29.485 29.700 0.103 0.000 0.745 292 E HN 0.567 nan 8.360 nan 0.000 0.477 293 G N -1.189 107.690 108.800 0.132 0.000 3.159 293 G HA2 0.082 4.041 3.960 -0.000 0.000 0.232 293 G HA3 0.082 4.041 3.960 -0.000 0.000 0.232 293 G C -0.434 174.268 174.900 -0.330 0.000 1.116 293 G CA -0.235 44.813 45.100 -0.086 0.000 0.767 293 G HN 0.171 nan 8.290 nan 0.000 0.547 294 H N -0.457 118.702 119.070 0.148 0.000 2.961 294 H HA 0.601 5.157 4.556 -0.000 0.000 0.371 294 H C -0.666 174.810 175.328 0.248 0.000 1.190 294 H CA -0.950 55.188 56.048 0.151 0.000 1.138 294 H CB 1.564 31.371 29.762 0.075 0.000 1.816 294 H HN 0.287 nan 8.280 nan 0.000 0.551 295 H N 0.826 120.062 119.070 0.276 0.000 2.980 295 H HA 0.313 4.869 4.556 -0.000 0.000 0.367 295 H C -1.392 174.088 175.328 0.254 0.000 1.206 295 H CA -1.046 55.162 56.048 0.266 0.000 1.126 295 H CB 1.659 31.634 29.762 0.355 0.000 1.838 295 H HN 0.453 nan 8.280 nan 0.000 0.552 296 L N 3.366 124.763 121.223 0.290 0.000 2.261 296 L HA 0.189 4.529 4.340 -0.000 0.000 0.289 296 L C -1.211 175.885 176.870 0.376 0.000 1.059 296 L CA -0.428 54.529 54.840 0.195 0.000 0.816 296 L CB -0.289 41.805 42.059 0.058 0.000 1.191 296 L HN 0.668 nan 8.230 nan 0.000 0.431 297 Y N 6.637 127.057 120.300 0.200 0.000 2.477 297 Y HA 0.298 4.847 4.550 -0.000 0.000 0.349 297 Y C -0.861 175.177 175.900 0.229 0.000 0.977 297 Y CA -0.824 57.442 58.100 0.276 0.000 1.214 297 Y CB 0.599 39.216 38.460 0.262 0.000 1.124 297 Y HN 0.514 nan 8.280 nan 0.000 0.521 298 L N 7.450 128.738 121.223 0.108 0.000 2.272 298 L HA 0.416 4.756 4.340 -0.000 0.000 0.289 298 L C -0.953 175.892 176.870 -0.042 0.000 1.032 298 L CA -0.468 54.400 54.840 0.045 0.000 0.810 298 L CB 1.136 43.261 42.059 0.111 0.000 1.205 298 L HN 0.657 nan 8.230 nan 0.000 0.422 299 Q N 5.410 125.154 119.800 -0.094 0.000 2.368 299 Q HA 0.497 4.837 4.340 -0.000 0.000 0.263 299 Q C -1.001 175.141 176.000 0.237 0.000 1.009 299 Q CA -0.578 55.232 55.803 0.013 0.000 0.818 299 Q CB 2.341 31.025 28.738 -0.091 0.000 1.239 299 Q HN 0.474 nan 8.270 nan 0.000 0.464 300 M N 3.062 122.884 119.600 0.371 0.000 2.383 300 M HA 0.515 4.995 4.480 -0.000 0.000 0.325 300 M C -0.855 175.759 176.300 0.523 0.000 1.092 300 M CA -0.555 55.019 55.300 0.457 0.000 0.961 300 M CB 1.284 34.248 32.600 0.606 0.000 1.672 300 M HN 0.528 nan 8.290 nan 0.000 0.438 301 L N 1.681 123.192 121.223 0.479 0.000 2.333 301 L HA 0.857 5.197 4.340 -0.000 0.000 0.280 301 L C 0.360 177.536 176.870 0.510 0.000 1.004 301 L CA -0.649 54.486 54.840 0.493 0.000 0.820 301 L CB 2.139 44.554 42.059 0.594 0.000 1.247 301 L HN 0.858 nan 8.230 nan 0.000 0.416 302 G N 2.289 111.327 108.800 0.395 0.000 2.482 302 G HA2 0.737 4.697 3.960 -0.000 0.000 0.317 302 G HA3 0.737 4.697 3.960 -0.000 0.000 0.317 302 G C -1.505 173.303 174.900 -0.152 0.000 1.241 302 G CA -0.555 44.675 45.100 0.216 0.000 0.967 302 G HN 0.567 nan 8.290 nan 0.000 0.482 303 R N 0.948 121.196 120.500 -0.421 0.000 2.533 303 R HA 0.381 4.721 4.340 -0.000 0.000 0.288 303 R C -0.401 175.717 176.300 -0.305 0.000 1.039 303 R CA -0.875 54.904 56.100 -0.535 0.000 0.909 303 R CB 1.692 31.313 30.300 -1.131 0.000 1.195 303 R HN 0.611 nan 8.270 nan 0.000 0.438 304 R N 3.647 124.037 120.500 -0.182 0.000 2.421 304 R HA 0.206 4.545 4.340 -0.000 0.000 0.305 304 R C -1.199 175.039 176.300 -0.103 0.000 1.039 304 R CA 0.066 56.099 56.100 -0.112 0.000 1.003 304 R CB 0.611 30.867 30.300 -0.073 0.000 0.959 304 R HN 0.318 nan 8.270 nan 0.000 0.427 305 V N 3.706 123.575 119.914 -0.075 0.000 2.823 305 V HA 0.451 4.570 4.120 -0.000 0.000 0.312 305 V C 0.786 176.865 176.094 -0.025 0.000 1.072 305 V CA -0.273 62.004 62.300 -0.039 0.000 0.937 305 V CB 1.999 33.817 31.823 -0.010 0.000 1.013 305 V HN 1.004 nan 8.190 nan 0.000 0.430 306 G N 1.630 110.424 108.800 -0.011 0.000 3.228 306 G HA2 0.416 4.376 3.960 -0.000 0.000 0.245 306 G HA3 0.416 4.376 3.960 -0.000 0.000 0.245 306 G C 0.210 175.110 174.900 -0.000 0.000 1.051 306 G CA 0.703 45.797 45.100 -0.009 0.000 0.809 306 G HN 0.883 nan 8.290 nan 0.000 0.531 307 S N -0.984 114.722 115.700 0.009 0.000 2.550 307 S HA 0.395 4.865 4.470 -0.000 0.000 0.270 307 S C 0.153 174.769 174.600 0.026 0.000 1.145 307 S CA -0.430 57.779 58.200 0.015 0.000 0.852 307 S CB 2.150 65.360 63.200 0.017 0.000 1.119 307 S HN -0.106 nan 8.310 nan 0.000 0.465 308 E N 0.847 121.061 120.200 0.024 0.000 2.401 308 E HA -0.089 4.261 4.350 -0.000 0.000 0.199 308 E C 1.384 178.011 176.600 0.044 0.000 1.023 308 E CA 1.589 58.008 56.400 0.032 0.000 0.859 308 E CB -0.027 29.686 29.700 0.022 0.000 0.780 308 E HN 0.745 nan 8.360 nan 0.000 0.523 309 E N 0.180 120.405 120.200 0.041 0.000 2.060 309 E HA -0.145 4.205 4.350 -0.000 0.000 0.189 309 E C 1.520 178.161 176.600 0.068 0.000 0.974 309 E CA 0.992 57.420 56.400 0.046 0.000 0.808 309 E CB -0.027 29.695 29.700 0.036 0.000 0.768 309 E HN 0.516 nan 8.360 nan 0.000 0.453 310 E N 0.115 120.357 120.200 0.070 0.000 2.418 310 E HA -0.042 4.307 4.350 -0.000 0.000 0.197 310 E C 1.784 178.475 176.600 0.150 0.000 1.026 310 E CA 0.622 57.080 56.400 0.097 0.000 0.862 310 E CB 0.088 29.830 29.700 0.070 0.000 0.799 310 E HN 0.206 nan 8.360 nan 0.000 0.518 311 A N 2.269 125.169 122.820 0.132 0.000 1.872 311 A HA -0.062 4.258 4.320 -0.000 0.000 0.214 311 A C 2.241 179.951 177.584 0.210 0.000 1.187 311 A CA 0.871 53.018 52.037 0.184 0.000 0.614 311 A CB -0.275 18.794 19.000 0.116 0.000 0.826 311 A HN 0.068 nan 8.150 nan 0.000 0.442 312 R N -0.541 120.038 120.500 0.131 0.000 2.148 312 R HA -0.057 4.283 4.340 -0.000 0.000 0.227 312 R C 2.470 178.830 176.300 0.100 0.000 1.103 312 R CA 1.176 57.333 56.100 0.095 0.000 0.983 312 R CB -0.283 30.053 30.300 0.059 0.000 0.874 312 R HN 0.552 nan 8.270 nan 0.000 0.451 313 S N 0.507 116.288 115.700 0.135 0.000 2.357 313 S HA -0.137 4.332 4.470 -0.000 0.000 0.221 313 S C 1.656 176.391 174.600 0.226 0.000 1.031 313 S CA 0.855 59.142 58.200 0.145 0.000 0.982 313 S CB -0.212 63.073 63.200 0.141 0.000 0.853 313 S HN 0.340 nan 8.310 nan 0.000 0.458 314 F N 3.032 123.063 119.950 0.135 0.000 2.102 314 F HA 0.022 4.549 4.527 -0.000 0.000 0.298 314 F C 2.416 178.346 175.800 0.217 0.000 1.105 314 F CA 2.023 60.145 58.000 0.203 0.000 1.239 314 F CB -0.911 38.210 39.000 0.201 0.000 0.991 314 F HN 0.217 nan 8.300 nan 0.000 0.474 315 E N 0.973 121.128 120.200 -0.076 0.000 2.097 315 E HA -0.245 4.104 4.350 -0.000 0.000 0.196 315 E C 2.204 178.663 176.600 -0.235 0.000 1.000 315 E CA 1.500 57.638 56.400 -0.438 0.000 0.804 315 E CB -0.558 28.996 29.700 -0.242 0.000 0.740 315 E HN 0.470 nan 8.360 nan 0.000 0.454 316 A N 0.959 123.737 122.820 -0.070 0.000 1.898 316 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 316 A C 2.163 179.734 177.584 -0.022 0.000 1.181 316 A CA 1.656 53.671 52.037 -0.037 0.000 0.620 316 A CB -0.547 18.450 19.000 -0.004 0.000 0.819 316 A HN 0.408 nan 8.150 nan 0.000 0.442 317 E N -1.300 118.928 120.200 0.048 0.000 2.106 317 E HA -0.190 4.159 4.350 -0.000 0.000 0.192 317 E C 1.716 178.366 176.600 0.085 0.000 0.984 317 E CA 1.167 57.610 56.400 0.072 0.000 0.806 317 E CB -0.254 29.618 29.700 0.286 0.000 0.750 317 E HN 0.582 nan 8.360 nan 0.000 0.458 318 F N 1.535 121.449 119.950 -0.060 0.000 2.069 318 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 318 F C 2.299 178.064 175.800 -0.060 0.000 1.113 318 F CA 1.834 59.804 58.000 -0.051 0.000 1.214 318 F CB -0.143 38.586 39.000 -0.452 0.000 0.978 318 F HN -0.125 nan 8.300 nan 0.000 0.474 319 R N 0.089 120.522 120.500 -0.112 0.000 2.066 319 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 319 R C 2.169 178.352 176.300 -0.195 0.000 1.131 319 R CA 1.965 57.957 56.100 -0.181 0.000 0.955 319 R CB -0.487 29.773 30.300 -0.067 0.000 0.851 319 R HN 0.395 nan 8.270 nan 0.000 0.432 320 E N -0.370 119.736 120.200 -0.156 0.000 2.285 320 E HA -0.111 4.238 4.350 -0.000 0.000 0.194 320 E C 1.662 178.126 176.600 -0.227 0.000 0.997 320 E CA 0.829 57.132 56.400 -0.161 0.000 0.845 320 E CB 0.320 29.945 29.700 -0.125 0.000 0.782 320 E HN 0.174 nan 8.360 nan 0.000 0.491 321 K N -0.742 119.465 120.400 -0.323 0.000 2.524 321 K HA 0.026 4.345 4.320 -0.000 0.000 0.210 321 K C 1.322 177.652 176.600 -0.450 0.000 1.340 321 K CA -0.106 55.887 56.287 -0.491 0.000 0.880 321 K CB -0.237 31.771 32.500 -0.819 0.000 1.616 321 K HN 0.010 nan 8.250 nan 0.000 0.457 322 W N 1.571 122.795 121.300 -0.126 0.000 2.350 322 W HA -0.155 4.505 4.660 -0.000 0.000 0.289 322 W C 1.887 178.280 176.519 -0.210 0.000 1.215 322 W CA 0.242 57.510 57.345 -0.127 0.000 1.236 322 W CB -0.265 29.178 29.460 -0.028 0.000 1.130 322 W HN -0.054 nan 8.180 nan 0.000 0.541 323 V N 0.637 120.421 119.914 -0.215 0.000 2.255 323 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 323 V C 2.267 178.316 176.094 -0.076 0.000 1.051 323 V CA 1.982 64.126 62.300 -0.260 0.000 1.018 323 V CB -0.622 30.953 31.823 -0.413 0.000 0.641 323 V HN 0.103 nan 8.190 nan 0.000 0.445 324 E N -0.630 119.521 120.200 -0.081 0.000 2.170 324 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 324 E C 2.097 178.708 176.600 0.019 0.000 0.981 324 E CA 0.545 56.927 56.400 -0.029 0.000 0.830 324 E CB -0.115 29.552 29.700 -0.056 0.000 0.775 324 E HN 0.455 nan 8.360 nan 0.000 0.470 325 L N -0.241 120.989 121.223 0.012 0.000 2.131 325 L HA -0.022 4.318 4.340 -0.000 0.000 0.206 325 L C 1.848 178.819 176.870 0.169 0.000 1.087 325 L CA 1.248 56.122 54.840 0.056 0.000 0.767 325 L CB -0.050 41.993 42.059 -0.027 0.000 0.917 325 L HN 0.053 nan 8.230 nan 0.000 0.441 326 A N -0.877 122.081 122.820 0.230 0.000 2.042 326 A HA 0.110 4.430 4.320 -0.000 0.000 0.207 326 A C 1.899 179.678 177.584 0.326 0.000 1.598 326 A CA -0.162 52.044 52.037 0.281 0.000 0.818 326 A CB -0.472 18.661 19.000 0.222 0.000 1.169 326 A HN 0.194 nan 8.150 nan 0.000 0.548 327 L N 0.500 121.878 121.223 0.259 0.000 2.089 327 L HA -0.259 4.081 4.340 -0.000 0.000 0.213 327 L C 1.961 178.980 176.870 0.249 0.000 1.079 327 L CA 1.709 56.698 54.840 0.249 0.000 0.758 327 L CB -0.642 41.507 42.059 0.149 0.000 0.891 327 L HN 0.451 nan 8.230 nan 0.000 0.433 328 N N -0.495 118.319 118.700 0.190 0.000 2.508 328 N HA 0.005 4.745 4.740 -0.000 0.000 0.186 328 N C 1.866 177.487 175.510 0.185 0.000 1.034 328 N CA 1.136 54.288 53.050 0.171 0.000 0.885 328 N CB -0.611 37.936 38.487 0.100 0.000 1.135 328 N HN 0.180 nan 8.380 nan 0.000 0.435 329 G N -0.180 108.725 108.800 0.175 0.000 2.462 329 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 329 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 329 G C 1.196 176.247 174.900 0.251 0.000 1.121 329 G CA 0.520 45.725 45.100 0.176 0.000 0.758 329 G HN 0.292 nan 8.290 nan 0.000 0.559 330 F N 0.512 120.554 119.950 0.153 0.000 2.490 330 F HA 0.276 4.803 4.527 -0.000 0.000 0.280 330 F C 2.199 178.130 175.800 0.219 0.000 1.030 330 F CA 0.483 58.574 58.000 0.152 0.000 1.367 330 F CB 0.108 39.199 39.000 0.152 0.000 1.131 330 F HN 0.090 nan 8.300 nan 0.000 0.632 331 N N 0.199 119.152 118.700 0.422 0.000 2.457 331 N HA -0.117 4.623 4.740 -0.000 0.000 0.180 331 N C 0.888 176.582 175.510 0.307 0.000 1.050 331 N CA 0.762 54.057 53.050 0.410 0.000 0.906 331 N CB -0.072 38.751 38.487 0.559 0.000 0.968 331 N HN 0.145 nan 8.380 nan 0.000 0.445 332 D N 1.061 121.604 120.400 0.239 0.000 2.190 332 D HA -0.153 4.487 4.640 -0.000 0.000 0.200 332 D C 1.099 177.464 176.300 0.108 0.000 0.992 332 D CA 1.023 55.125 54.000 0.169 0.000 0.854 332 D CB -0.169 40.708 40.800 0.129 0.000 0.936 332 D HN 0.259 nan 8.370 nan 0.000 0.462 333 D N 0.390 120.844 120.400 0.089 0.000 2.264 333 D HA -0.099 4.541 4.640 -0.000 0.000 0.208 333 D C 1.321 177.602 176.300 -0.033 0.000 0.966 333 D CA 0.566 54.563 54.000 -0.005 0.000 0.864 333 D CB -0.031 40.715 40.800 -0.090 0.000 0.933 333 D HN 0.252 nan 8.370 nan 0.000 0.499 334 D N 0.492 120.923 120.400 0.053 0.000 2.224 334 D HA -0.082 4.558 4.640 -0.000 0.000 0.205 334 D C 2.171 178.450 176.300 -0.036 0.000 0.965 334 D CA 0.165 54.171 54.000 0.009 0.000 0.852 334 D CB 0.259 41.117 40.800 0.096 0.000 0.947 334 D HN 0.193 nan 8.370 nan 0.000 0.494 335 I N 1.245 121.813 120.570 -0.002 0.000 2.179 335 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 335 I C 2.592 178.702 176.117 -0.010 0.000 1.088 335 I CA 0.668 61.965 61.300 -0.005 0.000 1.357 335 I CB -1.243 36.779 38.000 0.038 0.000 1.051 335 I HN 0.096 nan 8.210 nan 0.000 0.409 336 L N 0.924 122.140 121.223 -0.012 0.000 2.042 336 L HA -0.232 4.107 4.340 -0.000 0.000 0.210 336 L C 2.719 179.569 176.870 -0.032 0.000 1.076 336 L CA 1.853 56.682 54.840 -0.019 0.000 0.749 336 L CB -0.318 41.727 42.059 -0.024 0.000 0.893 336 L HN 0.228 nan 8.230 nan 0.000 0.432 337 A N 0.215 123.006 122.820 -0.048 0.000 1.883 337 A HA -0.263 4.056 4.320 -0.000 0.000 0.217 337 A C 2.240 179.788 177.584 -0.060 0.000 1.186 337 A CA 1.889 53.890 52.037 -0.061 0.000 0.624 337 A CB -0.554 18.395 19.000 -0.085 0.000 0.822 337 A HN 0.489 nan 8.150 nan 0.000 0.444 338 R N -0.814 119.650 120.500 -0.061 0.000 2.075 338 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 338 R C 2.441 178.732 176.300 -0.014 0.000 1.126 338 R CA 1.491 57.562 56.100 -0.048 0.000 0.963 338 R CB -0.307 29.987 30.300 -0.010 0.000 0.858 338 R HN 0.506 nan 8.270 nan 0.000 0.435 339 R N -0.215 120.281 120.500 -0.007 0.000 2.092 339 R HA -0.023 4.317 4.340 -0.000 0.000 0.231 339 R C 2.404 178.701 176.300 -0.006 0.000 1.119 339 R CA 1.249 57.347 56.100 -0.003 0.000 0.970 339 R CB -0.249 30.049 30.300 -0.003 0.000 0.864 339 R HN 0.077 nan 8.270 nan 0.000 0.440 340 S N 0.321 116.012 115.700 -0.015 0.000 2.406 340 S HA 0.019 4.489 4.470 -0.000 0.000 0.228 340 S C 1.864 176.460 174.600 -0.007 0.000 1.020 340 S CA 0.785 58.972 58.200 -0.022 0.000 0.965 340 S CB 0.114 63.291 63.200 -0.039 0.000 0.798 340 S HN 0.195 nan 8.310 nan 0.000 0.488 341 M N 0.577 120.188 119.600 0.019 0.000 2.288 341 M HA -0.013 4.467 4.480 -0.000 0.000 0.266 341 M C 2.030 178.435 176.300 0.175 0.000 1.072 341 M CA 1.065 56.433 55.300 0.114 0.000 1.132 341 M CB -0.380 32.286 32.600 0.110 0.000 1.386 341 M HN 0.260 nan 8.290 nan 0.000 0.432 342 E N 1.683 121.930 120.200 0.077 0.000 2.082 342 E HA -0.220 4.130 4.350 -0.000 0.000 0.215 342 E C -0.854 175.783 176.600 0.062 0.000 1.048 342 E CA 2.567 59.001 56.400 0.057 0.000 0.869 342 E CB -1.472 28.237 29.700 0.014 0.000 0.773 342 E HN 0.266 nan 8.360 nan 0.000 0.466 343 P HA -0.152 nan 4.420 nan 0.000 0.218 343 P C 1.463 178.780 177.300 0.028 0.000 1.148 343 P CA 1.202 64.318 63.100 0.027 0.000 0.822 343 P CB -0.280 31.432 31.700 0.019 0.000 0.784 344 F N -0.227 119.620 119.950 -0.172 0.000 2.234 344 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 344 F C 1.795 177.259 175.800 -0.559 0.000 1.087 344 F CA 1.300 59.083 58.000 -0.361 0.000 1.340 344 F CB -0.634 38.091 39.000 -0.458 0.000 1.031 344 F HN -0.194 nan 8.300 nan 0.000 0.500 345 Y N -1.171 118.962 120.300 -0.277 0.000 2.481 345 Y HA 0.360 4.910 4.550 -0.001 0.000 0.258 345 Y C 2.244 178.001 175.900 -0.239 0.000 1.103 345 Y CA 0.391 58.181 58.100 -0.517 0.000 1.287 345 Y CB -0.820 37.228 38.460 -0.687 0.000 1.108 345 Y HN 0.039 nan 8.280 nan 0.000 0.529 346 A N 0.705 123.519 122.820 -0.010 0.000 1.978 346 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 346 A C 1.327 178.925 177.584 0.025 0.000 1.170 346 A CA 2.211 54.263 52.037 0.025 0.000 0.636 346 A CB -0.666 18.341 19.000 0.012 0.000 0.810 346 A HN 0.508 nan 8.150 nan 0.000 0.448 347 D N -2.524 117.859 120.400 -0.029 0.000 2.388 347 D HA 0.177 4.817 4.640 -0.000 0.000 0.221 347 D C -0.062 176.237 176.300 -0.003 0.000 1.133 347 D CA 0.420 54.411 54.000 -0.016 0.000 0.831 347 D CB -0.054 40.720 40.800 -0.043 0.000 0.962 347 D HN 0.350 nan 8.370 nan 0.000 0.502 348 D N 0.049 120.475 120.400 0.043 0.000 2.705 348 D HA -0.238 4.401 4.640 -0.000 0.000 0.187 348 D C 1.423 177.727 176.300 0.006 0.000 1.015 348 D CA 0.983 55.103 54.000 0.200 0.000 1.030 348 D CB -0.927 40.003 40.800 0.217 0.000 1.100 348 D HN 0.399 nan 8.370 nan 0.000 0.439 349 R N 0.663 121.030 120.500 -0.222 0.000 2.096 349 R HA -0.005 4.334 4.340 -0.000 0.000 0.235 349 R C 2.591 178.492 176.300 -0.665 0.000 1.127 349 R CA 1.490 57.387 56.100 -0.337 0.000 0.968 349 R CB -0.482 29.616 30.300 -0.337 0.000 0.861 349 R HN 0.300 nan 8.270 nan 0.000 0.440 350 G N 0.731 108.795 108.800 -1.226 0.000 2.440 350 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 350 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 350 G C 0.836 175.227 174.900 -0.849 0.000 1.154 350 G CA 0.677 44.562 45.100 -2.025 0.000 0.767 350 G HN 0.429 nan 8.290 nan 0.000 0.552 351 W N 0.839 122.120 121.300 -0.032 0.000 2.392 351 W HA 0.026 4.686 4.660 -0.000 0.000 0.279 351 W C 2.656 179.307 176.519 0.220 0.000 1.225 351 W CA 0.630 58.173 57.345 0.330 0.000 1.233 351 W CB 0.034 29.739 29.460 0.409 0.000 1.122 351 W HN 0.074 nan 8.180 nan 0.000 0.561 352 R N 0.078 120.686 120.500 0.180 0.000 2.175 352 R HA 0.094 4.434 4.340 -0.000 0.000 0.202 352 R C 1.427 177.763 176.300 0.060 0.000 1.018 352 R CA 0.757 56.922 56.100 0.107 0.000 1.029 352 R CB -0.665 29.657 30.300 0.035 0.000 0.959 352 R HN 0.341 nan 8.270 nan 0.000 0.480 353 E N 1.740 121.915 120.200 -0.041 0.000 2.400 353 E HA -0.027 4.323 4.350 -0.000 0.000 0.195 353 E C 0.040 176.753 176.600 0.188 0.000 1.012 353 E CA -0.126 56.298 56.400 0.041 0.000 0.875 353 E CB 0.251 29.955 29.700 0.007 0.000 0.859 353 E HN 0.457 nan 8.360 nan 0.000 0.498 354 E N 1.081 121.408 120.200 0.212 0.000 2.436 354 E HA 0.053 4.403 4.350 -0.000 0.000 0.262 354 E C -0.441 176.273 176.600 0.191 0.000 1.063 354 E CA 0.089 56.667 56.400 0.297 0.000 0.944 354 E CB 0.983 30.896 29.700 0.354 0.000 0.950 354 E HN -0.222 nan 8.360 nan 0.000 0.444 355 V N 4.723 124.710 119.914 0.122 0.000 2.305 355 V HA 0.202 4.322 4.120 -0.000 0.000 0.275 355 V C 0.061 176.201 176.094 0.077 0.000 1.020 355 V CA -0.575 61.775 62.300 0.083 0.000 0.811 355 V CB 0.394 32.230 31.823 0.022 0.000 1.031 355 V HN 0.567 nan 8.190 nan 0.000 0.439 356 L N 5.174 126.483 121.223 0.144 0.000 2.439 356 L HA 0.628 4.967 4.340 -0.000 0.000 0.261 356 L C 0.025 177.063 176.870 0.280 0.000 1.153 356 L CA -0.323 54.638 54.840 0.202 0.000 0.808 356 L CB 0.875 43.058 42.059 0.207 0.000 1.126 356 L HN 0.628 nan 8.230 nan 0.000 0.460 357 F N -1.027 118.936 119.950 0.023 0.000 2.679 357 F HA 0.530 5.057 4.527 -0.000 0.000 0.341 357 F C 1.022 176.828 175.800 0.009 0.000 1.095 357 F CA -1.804 56.204 58.000 0.013 0.000 1.004 357 F CB 0.198 39.197 39.000 -0.002 0.000 1.388 357 F HN 0.364 nan 8.300 nan 0.000 0.505 358 E N 0.723 120.843 120.200 -0.134 0.000 2.136 358 E HA -0.221 4.129 4.350 -0.000 0.000 0.208 358 E C 2.019 178.414 176.600 -0.342 0.000 1.035 358 E CA 3.251 59.508 56.400 -0.238 0.000 0.838 358 E CB -0.625 28.947 29.700 -0.213 0.000 0.748 358 E HN 0.661 nan 8.360 nan 0.000 0.459 359 S N 0.248 115.551 115.700 -0.662 0.000 2.547 359 S HA -0.086 4.384 4.470 -0.000 0.000 0.235 359 S C 0.941 175.389 174.600 -0.253 0.000 0.980 359 S CA 0.822 58.756 58.200 -0.444 0.000 0.941 359 S CB 0.035 62.945 63.200 -0.483 0.000 0.763 359 S HN 0.117 nan 8.310 nan 0.000 0.532 360 D N 1.392 121.703 120.400 -0.148 0.000 2.349 360 D HA 0.077 4.717 4.640 -0.000 0.000 0.224 360 D C 1.821 178.095 176.300 -0.043 0.000 1.029 360 D CA 0.163 54.151 54.000 -0.020 0.000 0.879 360 D CB -0.086 40.788 40.800 0.123 0.000 0.906 360 D HN 0.318 nan 8.370 nan 0.000 0.528 361 R N 1.814 122.271 120.500 -0.072 0.000 2.127 361 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 361 R C 1.849 178.121 176.300 -0.046 0.000 1.134 361 R CA 1.617 57.689 56.100 -0.047 0.000 0.975 361 R CB -0.631 29.633 30.300 -0.060 0.000 0.865 361 R HN 0.054 nan 8.270 nan 0.000 0.447 362 A N 0.396 123.154 122.820 -0.104 0.000 1.877 362 A HA -0.122 4.197 4.320 -0.000 0.000 0.216 362 A C 2.146 179.798 177.584 0.113 0.000 1.186 362 A CA 1.563 53.548 52.037 -0.087 0.000 0.620 362 A CB -0.694 18.027 19.000 -0.466 0.000 0.822 362 A HN 0.380 nan 8.150 nan 0.000 0.443 363 I N 0.091 120.677 120.570 0.026 0.000 2.286 363 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 363 I C 2.100 178.222 176.117 0.008 0.000 1.115 363 I CA 1.062 62.448 61.300 0.143 0.000 1.392 363 I CB -0.238 37.784 38.000 0.035 0.000 1.065 363 I HN 0.381 nan 8.210 nan 0.000 0.418 364 I N 0.156 120.672 120.570 -0.090 0.000 2.286 364 I HA -0.238 3.931 4.170 -0.000 0.000 0.248 364 I C 2.260 178.281 176.117 -0.159 0.000 1.115 364 I CA 1.027 62.194 61.300 -0.222 0.000 1.392 364 I CB -0.522 37.431 38.000 -0.078 0.000 1.065 364 I HN 0.206 nan 8.210 nan 0.000 0.418 365 E N 0.293 120.482 120.200 -0.019 0.000 2.150 365 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 365 E C 1.735 178.325 176.600 -0.016 0.000 0.985 365 E CA 1.101 57.506 56.400 0.008 0.000 0.814 365 E CB -0.379 29.359 29.700 0.063 0.000 0.752 365 E HN 0.678 nan 8.360 nan 0.000 0.466 366 W N 2.296 123.503 121.300 -0.155 0.000 2.379 366 W HA -0.166 4.494 4.660 0.000 0.000 0.307 366 W C 1.613 177.918 176.519 -0.357 0.000 1.200 366 W CA 1.016 58.203 57.345 -0.263 0.000 1.297 366 W CB -0.172 29.124 29.460 -0.274 0.000 1.140 366 W HN -0.026 nan 8.180 nan 0.000 0.507 367 R N 0.472 120.420 120.500 -0.920 0.000 2.096 367 R HA -0.135 4.204 4.340 -0.000 0.000 0.235 367 R C 2.349 178.260 176.300 -0.647 0.000 1.127 367 R CA 1.614 56.944 56.100 -1.283 0.000 0.968 367 R CB -0.639 28.853 30.300 -1.347 0.000 0.861 367 R HN 0.277 nan 8.270 nan 0.000 0.440 368 R N 0.760 121.053 120.500 -0.344 0.000 2.066 368 R HA -0.050 4.289 4.340 -0.000 0.000 0.232 368 R C 2.504 178.710 176.300 -0.157 0.000 1.131 368 R CA 1.001 57.039 56.100 -0.104 0.000 0.955 368 R CB -0.467 29.834 30.300 0.002 0.000 0.851 368 R HN 0.169 nan 8.270 nan 0.000 0.432 369 L N 0.602 121.720 121.223 -0.174 0.000 2.017 369 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 369 L C 2.399 179.166 176.870 -0.172 0.000 1.073 369 L CA 1.696 56.507 54.840 -0.050 0.000 0.745 369 L CB -0.361 41.679 42.059 -0.031 0.000 0.894 369 L HN 0.189 nan 8.230 nan 0.000 0.432 370 A N -0.991 121.502 122.820 -0.545 0.000 1.902 370 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 370 A C 2.375 179.705 177.584 -0.424 0.000 1.181 370 A CA 2.070 53.721 52.037 -0.644 0.000 0.623 370 A CB -0.863 17.442 19.000 -1.159 0.000 0.818 370 A HN 0.544 nan 8.150 nan 0.000 0.443 371 S N -0.929 114.604 115.700 -0.279 0.000 2.368 371 S HA -0.201 4.269 4.470 -0.000 0.000 0.225 371 S C 2.153 176.627 174.600 -0.210 0.000 1.030 371 S CA 1.564 59.684 58.200 -0.132 0.000 0.999 371 S CB -0.253 62.926 63.200 -0.035 0.000 0.844 371 S HN 0.770 nan 8.310 nan 0.000 0.459 372 Q N -0.661 118.967 119.800 -0.287 0.000 2.137 372 Q HA -0.038 4.302 4.340 -0.000 0.000 0.198 372 Q C 0.933 176.527 176.000 -0.676 0.000 0.960 372 Q CA 1.231 56.738 55.803 -0.492 0.000 0.847 372 Q CB -0.029 28.323 28.738 -0.645 0.000 0.915 372 Q HN 0.636 nan 8.270 nan 0.000 0.448 373 Y N 0.459 120.663 120.300 -0.160 0.000 2.458 373 Y HA 0.161 4.711 4.550 -0.000 0.000 0.256 373 Y C 0.002 175.814 175.900 -0.147 0.000 1.159 373 Y CA -0.484 57.539 58.100 -0.127 0.000 1.261 373 Y CB -0.047 38.361 38.460 -0.086 0.000 1.119 373 Y HN 0.266 nan 8.280 nan 0.000 0.524 374 N N 0.750 119.309 118.700 -0.236 0.000 2.416 374 N HA -0.018 4.722 4.740 -0.000 0.000 0.246 374 N C 0.232 175.735 175.510 -0.011 0.000 1.260 374 N CA -0.157 52.711 53.050 -0.303 0.000 0.897 374 N CB 0.518 38.250 38.487 -1.257 0.000 1.110 374 N HN 0.106 nan 8.380 nan 0.000 0.439 375 R N 0.543 121.162 120.500 0.198 0.000 2.449 375 R HA 0.302 4.642 4.340 -0.000 0.000 0.262 375 R C -0.035 176.298 176.300 0.056 0.000 1.006 375 R CA -0.044 56.064 56.100 0.012 0.000 1.104 375 R CB -0.301 29.872 30.300 -0.212 0.000 1.206 375 R HN 0.818 nan 8.270 nan 0.000 0.538 376 G N 0.583 109.452 108.800 0.114 0.000 2.307 376 G HA2 0.014 3.973 3.960 -0.000 0.000 0.348 376 G HA3 0.014 3.973 3.960 -0.000 0.000 0.348 376 G C -1.354 173.703 174.900 0.261 0.000 1.603 376 G CA -1.085 44.099 45.100 0.140 0.000 0.961 376 G HN -0.026 nan 8.290 nan 0.000 0.686 377 I N 1.620 122.317 120.570 0.212 0.000 2.304 377 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 377 I C 0.736 176.939 176.117 0.143 0.000 1.018 377 I CA -0.726 60.717 61.300 0.238 0.000 1.260 377 I CB 1.066 39.171 38.000 0.175 0.000 1.390 377 I HN 0.692 nan 8.210 nan 0.000 0.475 378 Q N 5.674 125.546 119.800 0.120 0.000 2.311 378 Q HA 0.268 4.608 4.340 -0.000 0.000 0.272 378 Q C -0.238 175.787 176.000 0.042 0.000 1.012 378 Q CA 0.255 56.091 55.803 0.054 0.000 0.891 378 Q CB 0.666 29.402 28.738 -0.002 0.000 1.201 378 Q HN 0.824 nan 8.270 nan 0.000 0.391 379 T N 1.522 116.097 114.554 0.035 0.000 2.903 379 T HA 0.734 5.084 4.350 -0.000 0.000 0.299 379 T C -0.995 173.720 174.700 0.025 0.000 1.093 379 T CA -1.232 60.888 62.100 0.032 0.000 1.002 379 T CB 1.247 70.135 68.868 0.034 0.000 1.127 379 T HN 0.760 nan 8.240 nan 0.000 0.488 380 R N 1.655 122.170 120.500 0.025 0.000 2.439 380 R HA 0.464 4.804 4.340 -0.000 0.000 0.310 380 R C -1.131 175.182 176.300 0.022 0.000 0.955 380 R CA -0.722 55.391 56.100 0.022 0.000 0.853 380 R CB 0.941 31.255 30.300 0.023 0.000 1.171 380 R HN 0.577 nan 8.270 nan 0.000 0.449 381 D N 0.000 120.411 120.400 0.019 0.000 6.856 381 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 381 D CA 0.000 54.010 54.000 0.017 0.000 0.868 381 D CB 0.000 40.809 40.800 0.015 0.000 0.688 381 D HN 0.000 nan 8.370 nan 0.000 0.683