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 1lp3_1_A DATA FIRST_RESID 80 DATA SEQUENCE GADGVGNSSG NWHCDSTWMG DRVITTSTRT WALPTYNNHL YKQISSQSGA DATA SEQUENCE SNDNHYFGYS TPWGYFDFNR FHCHFSPRDW QRLINNNWGF RPKRLNFKLF DATA SEQUENCE NIQVKEVTQN DGTTTIANNL TSTVQVFTDS EYQLPYVLGS AHQGCLPPFP DATA SEQUENCE ADVFMVPQYG YLTLNNGSQA VGRSSFYCLE YFPSQMLRTG NNFTFSYTFE DATA SEQUENCE DVPFHSSYAH SQSLDRLMNP LIDQYLYYLS RTNTPSGTTT QSRLQFSQAG DATA SEQUENCE ASDIRDQSRN WLPGPCYRQQ RVSKTSADNN NSEYSWTGAT KYHLNGRDSL DATA SEQUENCE VNPGPAMASH KDDEEKFFPQ SGVLIFGKQG SEKTNVDIEK VMITDEEEIR DATA SEQUENCE TTNPVATEQY GSVSTNLQRG NRQAATADVN TQGVLPGMVW QDRDVYLQGP DATA SEQUENCE IWAKIPHTDG HFHPSPLMGG FGLKHPPPQI LIKNTPVPAN PSTTFSAAKF DATA SEQUENCE ASFITQYSTG QVSVEIEWEL QKENSKRWNP EIQYTSNYNK SVNVDFTVDT DATA SEQUENCE NGVYSEPRPI GTRYLTRNL 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 80 G HA2 0.000 nan 3.960 nan 0.000 0.244 80 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 80 G C 0.000 174.948 174.900 0.079 0.000 0.946 80 G CA 0.000 45.136 45.100 0.059 0.000 0.502 81 A N 0.224 123.082 122.820 0.064 0.000 2.601 81 A HA 0.942 5.262 4.320 -0.000 0.000 0.291 81 A C -1.097 176.518 177.584 0.052 0.000 1.075 81 A CA -0.038 52.039 52.037 0.067 0.000 0.671 81 A CB 2.006 21.044 19.000 0.062 0.000 1.277 81 A HN 0.928 nan 8.150 nan 0.000 0.417 82 D N -1.735 118.696 120.400 0.052 0.000 4.547 82 D HA 0.390 5.030 4.640 -0.000 0.000 0.361 82 D C 0.266 176.590 176.300 0.040 0.000 1.690 82 D CA 0.382 54.407 54.000 0.042 0.000 0.989 82 D CB 0.456 41.279 40.800 0.038 0.000 1.506 82 D HN 0.990 nan 8.370 nan 0.000 0.645 83 G N -0.011 108.810 108.800 0.035 0.000 2.671 83 G HA2 0.467 4.427 3.960 -0.000 0.000 0.275 83 G HA3 0.467 4.427 3.960 -0.000 0.000 0.275 83 G C 0.736 175.656 174.900 0.032 0.000 1.368 83 G CA 0.030 45.148 45.100 0.030 0.000 1.044 83 G HN 0.205 nan 8.290 nan 0.000 0.543 84 V N 0.181 120.110 119.914 0.025 0.000 2.379 84 V HA 0.132 4.252 4.120 -0.000 0.000 0.243 84 V C 2.308 178.414 176.094 0.021 0.000 1.035 84 V CA 1.838 64.151 62.300 0.022 0.000 1.035 84 V CB -0.027 31.805 31.823 0.014 0.000 0.673 84 V HN 0.734 nan 8.190 nan 0.000 0.457 85 G N 1.282 110.093 108.800 0.017 0.000 3.581 85 G HA2 0.199 4.159 3.960 -0.000 0.000 0.255 85 G HA3 0.199 4.159 3.960 -0.000 0.000 0.255 85 G C -0.299 174.613 174.900 0.021 0.000 1.121 85 G CA -0.120 44.989 45.100 0.016 0.000 1.739 85 G HN 0.476 nan 8.290 nan 0.000 0.646 86 N N -0.331 118.387 118.700 0.030 0.000 2.500 86 N HA 0.228 4.968 4.740 -0.000 0.000 0.291 86 N C -0.571 174.970 175.510 0.052 0.000 1.092 86 N CA -0.458 52.613 53.050 0.035 0.000 0.890 86 N CB 1.826 40.332 38.487 0.033 0.000 1.466 86 N HN 0.002 nan 8.380 nan 0.000 0.507 87 S N 1.017 116.749 115.700 0.052 0.000 2.507 87 S HA -0.001 4.469 4.470 -0.000 0.000 0.299 87 S C 0.859 175.512 174.600 0.090 0.000 1.214 87 S CA -0.391 57.858 58.200 0.083 0.000 1.137 87 S CB -0.185 63.056 63.200 0.068 0.000 1.009 87 S HN 0.543 nan 8.310 nan 0.000 0.512 88 S N 3.710 119.497 115.700 0.145 0.000 2.528 88 S HA 0.199 4.669 4.470 -0.000 0.000 0.244 88 S C 0.958 175.587 174.600 0.048 0.000 0.982 88 S CA 0.243 58.530 58.200 0.145 0.000 0.953 88 S CB -0.393 62.940 63.200 0.222 0.000 0.754 88 S HN 1.052 nan 8.310 nan 0.000 0.529 89 G N 0.138 108.897 108.800 -0.069 0.000 2.556 89 G HA2 0.407 4.367 3.960 -0.000 0.000 0.294 89 G HA3 0.407 4.367 3.960 -0.000 0.000 0.294 89 G C -1.362 173.259 174.900 -0.465 0.000 1.516 89 G CA -0.851 43.908 45.100 -0.568 0.000 0.824 89 G HN 0.022 nan 8.290 nan 0.000 0.535 90 N N -0.564 117.892 118.700 -0.407 0.000 2.448 90 N HA 0.325 5.065 4.740 -0.000 0.000 0.274 90 N C -0.819 174.465 175.510 -0.376 0.000 1.239 90 N CA -0.394 52.481 53.050 -0.291 0.000 0.982 90 N CB 1.603 39.920 38.487 -0.284 0.000 1.199 90 N HN 0.540 nan 8.380 nan 0.000 0.576 91 W N 2.534 123.590 121.300 -0.406 0.000 2.317 91 W HA 0.205 4.865 4.660 -0.000 0.000 0.327 91 W C -1.020 175.246 176.519 -0.423 0.000 1.036 91 W CA -0.201 56.992 57.345 -0.254 0.000 1.419 91 W CB -0.386 29.023 29.460 -0.085 0.000 1.253 91 W HN 0.410 nan 8.180 nan 0.000 0.392 92 H N 5.290 124.307 119.070 -0.089 0.000 2.556 92 H HA 0.257 4.813 4.556 -0.000 0.000 0.310 92 H C -0.112 175.148 175.328 -0.113 0.000 1.057 92 H CA -0.249 55.770 56.048 -0.049 0.000 1.264 92 H CB 1.600 31.289 29.762 -0.121 0.000 1.404 92 H HN 0.320 nan 8.280 nan 0.000 0.462 93 C N 4.498 123.890 119.300 0.153 0.000 3.235 93 C HA 0.149 4.609 4.460 -0.000 0.000 0.198 93 C C 0.202 175.265 174.990 0.120 0.000 1.527 93 C CA -0.537 58.550 59.018 0.115 0.000 1.167 93 C CB -1.246 26.688 27.740 0.323 0.000 1.938 93 C HN 0.876 nan 8.230 nan 0.000 0.593 94 D N 0.603 121.054 120.400 0.084 0.000 2.560 94 D HA 0.736 5.376 4.640 -0.000 0.000 0.277 94 D C -0.420 175.904 176.300 0.040 0.000 1.194 94 D CA 0.223 54.267 54.000 0.073 0.000 1.092 94 D CB 1.539 42.383 40.800 0.072 0.000 1.169 94 D HN 0.378 nan 8.370 nan 0.000 0.607 95 S N -0.418 115.307 115.700 0.043 0.000 2.546 95 S HA 0.410 4.880 4.470 -0.000 0.000 0.303 95 S C -1.510 173.108 174.600 0.030 0.000 1.067 95 S CA -0.502 57.699 58.200 0.001 0.000 0.944 95 S CB 0.114 63.345 63.200 0.052 0.000 1.155 95 S HN 0.537 nan 8.310 nan 0.000 0.449 96 T N 2.502 117.015 114.554 -0.069 0.000 2.893 96 T HA 0.791 5.141 4.350 -0.000 0.000 0.293 96 T C -1.293 173.326 174.700 -0.135 0.000 1.027 96 T CA -0.516 61.596 62.100 0.019 0.000 0.988 96 T CB 0.784 69.675 68.868 0.039 0.000 1.043 96 T HN 0.561 nan 8.240 nan 0.000 0.461 97 W N 3.114 124.436 121.300 0.036 0.000 2.520 97 W HA 0.602 5.262 4.660 -0.000 0.000 0.323 97 W C 0.914 177.448 176.519 0.025 0.000 1.062 97 W CA -1.160 56.204 57.345 0.031 0.000 1.215 97 W CB 1.691 31.157 29.460 0.010 0.000 1.340 97 W HN 0.527 nan 8.180 nan 0.000 0.516 98 M N 2.748 122.466 119.600 0.197 0.000 2.347 98 M HA 0.278 4.758 4.480 -0.000 0.000 0.302 98 M C 1.329 177.703 176.300 0.124 0.000 1.051 98 M CA 0.699 56.078 55.300 0.131 0.000 0.988 98 M CB 0.399 33.046 32.600 0.078 0.000 1.475 98 M HN 0.930 nan 8.290 nan 0.000 0.530 99 G N 1.787 110.688 108.800 0.168 0.000 2.527 99 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.218 99 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.218 99 G C 0.670 175.638 174.900 0.113 0.000 1.177 99 G CA 0.805 45.977 45.100 0.119 0.000 0.695 99 G HN 0.457 nan 8.290 nan 0.000 0.517 100 D N 0.084 120.545 120.400 0.102 0.000 2.470 100 D HA 0.186 4.826 4.640 -0.000 0.000 0.238 100 D C 1.629 177.990 176.300 0.101 0.000 1.054 100 D CA 0.723 54.781 54.000 0.096 0.000 0.896 100 D CB 0.280 41.133 40.800 0.088 0.000 1.118 100 D HN 0.453 nan 8.370 nan 0.000 0.497 101 R N -0.176 120.378 120.500 0.091 0.000 3.024 101 R HA 0.750 5.090 4.340 -0.000 0.000 0.224 101 R C -0.816 175.495 176.300 0.020 0.000 1.490 101 R CA -1.091 55.054 56.100 0.075 0.000 1.057 101 R CB 0.409 30.744 30.300 0.058 0.000 1.723 101 R HN -0.060 nan 8.270 nan 0.000 0.520 102 V N 0.285 120.172 119.914 -0.046 0.000 2.859 102 V HA 0.317 4.436 4.120 -0.000 0.000 0.257 102 V C -2.089 173.923 176.094 -0.137 0.000 1.691 102 V CA -0.760 61.368 62.300 -0.286 0.000 0.901 102 V CB 1.606 32.983 31.823 -0.745 0.000 1.246 102 V HN 0.562 nan 8.190 nan 0.000 0.466 103 I N 5.683 126.157 120.570 -0.159 0.000 2.378 103 I HA 0.659 4.829 4.170 -0.000 0.000 0.291 103 I C 0.528 176.583 176.117 -0.103 0.000 0.992 103 I CA -0.181 61.082 61.300 -0.060 0.000 1.154 103 I CB 2.144 40.111 38.000 -0.055 0.000 1.315 103 I HN 0.795 nan 8.210 nan 0.000 0.448 104 T N 1.320 115.851 114.554 -0.039 0.000 2.801 104 T HA 0.556 4.906 4.350 -0.000 0.000 0.306 104 T C 0.097 174.787 174.700 -0.017 0.000 1.020 104 T CA -0.683 61.364 62.100 -0.089 0.000 0.948 104 T CB 0.218 68.937 68.868 -0.249 0.000 0.962 104 T HN 0.491 nan 8.240 nan 0.000 0.465 105 T N 2.728 117.259 114.554 -0.039 0.000 2.922 105 T HA 0.698 5.048 4.350 -0.000 0.000 0.285 105 T C 0.045 174.708 174.700 -0.062 0.000 1.005 105 T CA -0.752 61.318 62.100 -0.051 0.000 1.061 105 T CB 1.244 70.092 68.868 -0.033 0.000 1.007 105 T HN 0.970 nan 8.240 nan 0.000 0.502 106 S N 1.147 116.773 115.700 -0.122 0.000 2.570 106 S HA 0.521 4.991 4.470 -0.000 0.000 0.286 106 S C -1.233 173.185 174.600 -0.303 0.000 1.143 106 S CA -0.825 57.270 58.200 -0.175 0.000 0.921 106 S CB 1.260 64.362 63.200 -0.164 0.000 1.108 106 S HN 0.630 nan 8.310 nan 0.000 0.456 107 T N 4.126 118.393 114.554 -0.479 0.000 2.893 107 T HA 0.771 5.121 4.350 -0.000 0.000 0.291 107 T C -0.665 173.569 174.700 -0.777 0.000 1.028 107 T CA -0.862 60.783 62.100 -0.759 0.000 0.995 107 T CB 1.491 69.557 68.868 -1.337 0.000 1.051 107 T HN 0.750 nan 8.240 nan 0.000 0.470 108 R N 0.487 120.723 120.500 -0.440 0.000 2.707 108 R HA 0.558 4.898 4.340 -0.000 0.000 0.272 108 R C -0.986 175.410 176.300 0.160 0.000 1.011 108 R CA -0.855 55.218 56.100 -0.045 0.000 0.893 108 R CB 2.092 32.458 30.300 0.110 0.000 1.233 108 R HN 0.570 nan 8.270 nan 0.000 0.464 109 T N 2.671 117.385 114.554 0.267 0.000 2.889 109 T HA 0.425 4.775 4.350 -0.000 0.000 0.291 109 T C -0.276 174.502 174.700 0.129 0.000 0.995 109 T CA -0.413 61.751 62.100 0.107 0.000 1.092 109 T CB 0.439 69.354 68.868 0.078 0.000 0.954 109 T HN 0.434 nan 8.240 nan 0.000 0.506 110 W N -0.137 121.117 121.300 -0.077 0.000 3.017 110 W HA 0.827 5.487 4.660 -0.000 0.000 0.341 110 W C -1.526 174.827 176.519 -0.276 0.000 1.180 110 W CA -1.736 55.345 57.345 -0.439 0.000 1.097 110 W CB 1.350 30.393 29.460 -0.695 0.000 1.468 110 W HN 0.763 nan 8.180 nan 0.000 0.584 111 A N 1.704 124.500 122.820 -0.039 0.000 2.486 111 A HA 0.765 5.084 4.320 -0.000 0.000 0.300 111 A C -2.286 175.382 177.584 0.140 0.000 1.048 111 A CA -0.715 51.326 52.037 0.006 0.000 0.696 111 A CB 2.022 20.949 19.000 -0.122 0.000 1.278 111 A HN 0.801 nan 8.150 nan 0.000 0.405 112 L N 3.272 124.621 121.223 0.209 0.000 2.446 112 L HA 0.691 5.031 4.340 -0.000 0.000 0.268 112 L C -2.796 174.062 176.870 -0.020 0.000 0.975 112 L CA -1.394 53.494 54.840 0.080 0.000 0.848 112 L CB 2.157 44.317 42.059 0.168 0.000 1.225 112 L HN 0.451 nan 8.230 nan 0.000 0.410 113 P HA 0.394 nan 4.420 nan 0.000 0.297 113 P C -1.135 175.904 177.300 -0.436 0.000 1.303 113 P CA -0.397 62.492 63.100 -0.350 0.000 0.753 113 P CB 0.486 31.859 31.700 -0.545 0.000 1.281 114 T N -2.713 111.593 114.554 -0.414 0.000 2.821 114 T HA 0.469 4.819 4.350 -0.000 0.000 0.307 114 T C -0.535 173.892 174.700 -0.454 0.000 1.034 114 T CA -0.593 61.236 62.100 -0.453 0.000 0.953 114 T CB -0.813 67.732 68.868 -0.538 0.000 0.968 114 T HN 0.115 nan 8.240 nan 0.000 0.462 115 Y N 2.460 122.614 120.300 -0.244 0.000 2.379 115 Y HA 0.212 4.762 4.550 -0.000 0.000 0.337 115 Y C 1.560 177.349 175.900 -0.185 0.000 1.238 115 Y CA 0.035 58.027 58.100 -0.180 0.000 1.405 115 Y CB 0.313 38.698 38.460 -0.124 0.000 1.310 115 Y HN 0.820 nan 8.280 nan 0.000 0.569 116 N N 1.378 120.121 118.700 0.070 0.000 2.710 116 N HA -0.364 4.376 4.740 -0.000 0.000 0.249 116 N C -0.239 175.260 175.510 -0.018 0.000 1.059 116 N CA 0.652 53.717 53.050 0.025 0.000 0.720 116 N CB -1.024 37.483 38.487 0.033 0.000 0.983 116 N HN 0.746 nan 8.380 nan 0.000 0.544 117 N N -0.013 118.626 118.700 -0.102 0.000 2.693 117 N HA -0.299 4.441 4.740 -0.000 0.000 0.250 117 N C -0.270 175.149 175.510 -0.151 0.000 1.033 117 N CA 1.960 54.912 53.050 -0.164 0.000 0.747 117 N CB -0.661 37.832 38.487 0.009 0.000 0.964 117 N HN 0.661 nan 8.380 nan 0.000 0.540 118 H N -5.091 113.913 119.070 -0.109 0.000 3.628 118 H HA -0.181 4.375 4.556 -0.000 0.000 0.173 118 H C -0.158 175.175 175.328 0.010 0.000 0.941 118 H CA 1.462 57.422 56.048 -0.148 0.000 1.224 118 H CB -1.831 27.686 29.762 -0.408 0.000 0.992 118 H HN 0.476 nan 8.280 nan 0.000 0.383 119 L N -1.802 119.518 121.223 0.161 0.000 2.319 119 L HA 0.669 5.009 4.340 -0.000 0.000 0.267 119 L C 0.067 177.080 176.870 0.238 0.000 1.011 119 L CA -1.343 53.655 54.840 0.264 0.000 0.818 119 L CB 0.908 43.117 42.059 0.249 0.000 1.316 119 L HN -0.261 nan 8.230 nan 0.000 0.432 120 Y N 0.518 120.942 120.300 0.207 0.000 2.319 120 Y HA 0.474 5.024 4.550 -0.000 0.000 0.328 120 Y C 0.072 176.055 175.900 0.138 0.000 1.133 120 Y CA -0.162 58.066 58.100 0.213 0.000 1.265 120 Y CB 0.994 39.629 38.460 0.292 0.000 1.218 120 Y HN 0.444 nan 8.280 nan 0.000 0.508 121 K N 2.309 122.846 120.400 0.228 0.000 2.378 121 K HA 0.253 4.573 4.320 -0.000 0.000 0.252 121 K C -0.833 175.814 176.600 0.078 0.000 0.931 121 K CA -1.044 55.318 56.287 0.124 0.000 0.794 121 K CB 2.115 34.647 32.500 0.054 0.000 1.181 121 K HN 0.620 nan 8.250 nan 0.000 0.425 122 Q N 4.429 124.229 119.800 0.000 0.000 2.293 122 Q HA 0.381 4.721 4.340 -0.000 0.000 0.251 122 Q C -0.793 174.984 176.000 -0.372 0.000 0.930 122 Q CA -0.377 55.243 55.803 -0.306 0.000 0.893 122 Q CB 0.748 29.357 28.738 -0.215 0.000 1.215 122 Q HN 0.688 nan 8.270 nan 0.000 0.425 123 I N 0.124 120.323 120.570 -0.619 0.000 2.722 123 I HA 0.683 4.853 4.170 -0.000 0.000 0.295 123 I C -1.405 174.507 176.117 -0.342 0.000 1.161 123 I CA -0.658 60.432 61.300 -0.351 0.000 1.032 123 I CB 2.422 40.291 38.000 -0.218 0.000 1.244 123 I HN 0.703 nan 8.210 nan 0.000 0.421 124 S N 2.626 118.253 115.700 -0.121 0.000 2.607 124 S HA 0.579 5.049 4.470 -0.000 0.000 0.273 124 S C -0.205 173.971 174.600 -0.707 0.000 1.148 124 S CA -0.394 57.653 58.200 -0.254 0.000 0.833 124 S CB 1.308 64.432 63.200 -0.127 0.000 1.130 124 S HN 1.098 nan 8.310 nan 0.000 0.470 125 S N 0.290 115.171 115.700 -1.364 0.000 2.572 125 S HA 0.116 4.586 4.470 -0.000 0.000 0.262 125 S C 0.087 174.473 174.600 -0.357 0.000 1.375 125 S CA 0.062 57.623 58.200 -1.066 0.000 0.996 125 S CB -0.198 62.695 63.200 -0.511 0.000 0.892 125 S HN 0.793 nan 8.310 nan 0.000 0.562 126 Q N 1.345 121.037 119.800 -0.179 0.000 2.553 126 Q HA 0.292 4.632 4.340 -0.000 0.000 0.221 126 Q C 1.257 177.253 176.000 -0.008 0.000 1.219 126 Q CA 0.677 56.435 55.803 -0.076 0.000 0.955 126 Q CB -0.272 28.436 28.738 -0.050 0.000 1.399 126 Q HN 1.018 nan 8.270 nan 0.000 0.551 127 S N 1.085 116.778 115.700 -0.013 0.000 2.600 127 S HA -0.420 4.050 4.470 -0.000 0.000 0.462 127 S C 1.671 176.335 174.600 0.108 0.000 1.124 127 S CA 1.932 60.139 58.200 0.012 0.000 2.567 127 S CB -1.770 61.422 63.200 -0.013 0.000 1.938 127 S HN 0.716 nan 8.310 nan 0.000 0.503 128 G N 3.378 112.211 108.800 0.054 0.000 2.453 128 G HA2 0.267 4.227 3.960 -0.000 0.000 0.215 128 G HA3 0.267 4.227 3.960 -0.000 0.000 0.215 128 G C 0.888 175.798 174.900 0.017 0.000 1.201 128 G CA 1.483 46.607 45.100 0.040 0.000 0.784 128 G HN 1.927 nan 8.290 nan 0.000 0.545 129 A N 0.064 122.859 122.820 -0.042 0.000 2.456 129 A HA 0.142 4.462 4.320 -0.000 0.000 0.276 129 A C 1.143 178.543 177.584 -0.306 0.000 0.981 129 A CA 1.011 52.953 52.037 -0.157 0.000 1.123 129 A CB -0.608 18.287 19.000 -0.174 0.000 0.773 129 A HN 1.526 nan 8.150 nan 0.000 0.373 130 S N 1.665 117.210 115.700 -0.258 0.000 2.558 130 S HA -0.127 4.343 4.470 -0.000 0.000 0.297 130 S C 1.408 175.765 174.600 -0.405 0.000 1.283 130 S CA 0.669 58.709 58.200 -0.265 0.000 1.044 130 S CB -0.001 63.042 63.200 -0.261 0.000 0.789 130 S HN 1.191 nan 8.310 nan 0.000 0.500 131 N N 2.723 121.270 118.700 -0.254 0.000 2.104 131 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 131 N C 0.924 176.350 175.510 -0.139 0.000 1.024 131 N CA 2.140 55.076 53.050 -0.191 0.000 0.853 131 N CB -0.320 38.192 38.487 0.042 0.000 1.008 131 N HN 0.695 nan 8.380 nan 0.000 0.424 132 D N -0.401 119.939 120.400 -0.100 0.000 2.393 132 D HA -0.116 4.524 4.640 -0.000 0.000 0.220 132 D C 0.253 176.521 176.300 -0.054 0.000 0.974 132 D CA 0.768 54.748 54.000 -0.033 0.000 0.931 132 D CB -0.245 40.502 40.800 -0.088 0.000 0.889 132 D HN 0.380 nan 8.370 nan 0.000 0.512 133 N N -0.081 118.527 118.700 -0.154 0.000 2.291 133 N HA -0.005 4.735 4.740 -0.000 0.000 0.244 133 N C -0.097 175.373 175.510 -0.067 0.000 1.216 133 N CA -0.177 52.816 53.050 -0.094 0.000 0.879 133 N CB 0.475 38.880 38.487 -0.137 0.000 1.167 133 N HN 0.204 nan 8.380 nan 0.000 0.515 134 H N 0.638 119.729 119.070 0.034 0.000 2.544 134 H HA 0.304 4.860 4.556 -0.000 0.000 0.365 134 H C -0.110 175.279 175.328 0.101 0.000 1.268 134 H CA 0.218 56.248 56.048 -0.030 0.000 1.400 134 H CB 0.785 30.533 29.762 -0.023 0.000 1.538 134 H HN 0.148 nan 8.280 nan 0.000 0.597 135 Y N -0.898 119.535 120.300 0.221 0.000 2.810 135 Y HA 0.446 4.996 4.550 -0.000 0.000 0.355 135 Y C -2.309 173.686 175.900 0.159 0.000 1.211 135 Y CA -1.808 56.382 58.100 0.150 0.000 1.112 135 Y CB 0.797 39.305 38.460 0.079 0.000 1.383 135 Y HN 0.471 nan 8.280 nan 0.000 0.458 136 F N 0.999 121.137 119.950 0.312 0.000 2.604 136 F HA 0.845 5.372 4.527 -0.000 0.000 0.316 136 F C -0.367 175.460 175.800 0.044 0.000 1.136 136 F CA 0.177 58.252 58.000 0.125 0.000 0.989 136 F CB 1.930 40.929 39.000 -0.001 0.000 1.258 136 F HN 1.202 nan 8.300 nan 0.000 0.451 137 G N 2.977 111.233 108.800 -0.907 0.000 2.427 137 G HA2 0.421 4.381 3.960 -0.000 0.000 0.306 137 G HA3 0.421 4.381 3.960 -0.000 0.000 0.306 137 G C -2.515 171.689 174.900 -1.160 0.000 1.280 137 G CA -0.673 43.992 45.100 -0.724 0.000 0.837 137 G HN 0.567 nan 8.290 nan 0.000 0.482 138 Y N -0.173 119.703 120.300 -0.707 0.000 2.602 138 Y HA 0.744 5.294 4.550 -0.000 0.000 0.342 138 Y C 0.574 176.168 175.900 -0.511 0.000 1.029 138 Y CA -0.535 57.228 58.100 -0.563 0.000 1.080 138 Y CB 2.520 40.738 38.460 -0.403 0.000 1.284 138 Y HN 0.745 nan 8.280 nan 0.000 0.485 139 S N -0.208 115.429 115.700 -0.104 0.000 2.532 139 S HA 0.823 5.293 4.470 -0.000 0.000 0.301 139 S C -0.594 173.996 174.600 -0.015 0.000 1.083 139 S CA -0.593 57.532 58.200 -0.124 0.000 1.025 139 S CB 1.618 64.746 63.200 -0.121 0.000 1.056 139 S HN 0.764 nan 8.310 nan 0.000 0.494 140 T N -1.424 113.114 114.554 -0.026 0.000 2.924 140 T HA 0.641 4.991 4.350 -0.000 0.000 0.291 140 T C -2.642 171.996 174.700 -0.103 0.000 1.045 140 T CA -2.199 59.826 62.100 -0.124 0.000 1.015 140 T CB 1.363 70.286 68.868 0.092 0.000 1.103 140 T HN 0.302 nan 8.240 nan 0.000 0.496 141 P HA 0.112 nan 4.420 nan 0.000 0.234 141 P C -0.533 176.759 177.300 -0.014 0.000 1.167 141 P CA 0.128 63.185 63.100 -0.073 0.000 0.763 141 P CB -0.040 31.587 31.700 -0.121 0.000 0.835 142 W N 0.786 122.058 121.300 -0.047 0.000 2.218 142 W HA 0.494 5.154 4.660 -0.000 0.000 0.326 142 W C 1.011 177.547 176.519 0.028 0.000 1.276 142 W CA 0.207 57.565 57.345 0.022 0.000 1.210 142 W CB 0.518 29.980 29.460 0.004 0.000 1.143 142 W HN -0.159 nan 8.180 nan 0.000 0.563 143 G N 2.269 111.216 108.800 0.245 0.000 2.448 143 G HA2 0.658 4.618 3.960 -0.000 0.000 0.324 143 G HA3 0.658 4.618 3.960 -0.000 0.000 0.324 143 G C -1.846 173.108 174.900 0.091 0.000 1.203 143 G CA -0.785 44.383 45.100 0.113 0.000 0.954 143 G HN 0.527 nan 8.290 nan 0.000 0.480 144 Y N -0.542 119.673 120.300 -0.141 0.000 2.650 144 Y HA 0.840 5.390 4.550 -0.000 0.000 0.331 144 Y C -1.298 174.425 175.900 -0.296 0.000 1.082 144 Y CA -1.986 56.012 58.100 -0.169 0.000 1.171 144 Y CB 1.584 39.978 38.460 -0.110 0.000 1.326 144 Y HN 0.333 nan 8.280 nan 0.000 0.513 145 F N 0.978 120.961 119.950 0.054 0.000 2.480 145 F HA 0.472 4.999 4.527 -0.000 0.000 0.329 145 F C -0.740 175.132 175.800 0.121 0.000 1.091 145 F CA -0.364 57.687 58.000 0.084 0.000 0.972 145 F CB 1.946 41.107 39.000 0.268 0.000 1.150 145 F HN 0.704 nan 8.300 nan 0.000 0.467 146 D N 1.555 122.126 120.400 0.286 0.000 2.886 146 D HA 0.320 4.960 4.640 -0.000 0.000 0.216 146 D C -1.240 175.096 176.300 0.061 0.000 1.256 146 D CA -0.630 53.380 54.000 0.017 0.000 0.844 146 D CB 0.901 41.723 40.800 0.037 0.000 1.669 146 D HN 0.277 nan 8.370 nan 0.000 0.513 147 F N 1.126 121.196 119.950 0.200 0.000 2.677 147 F HA 0.450 4.977 4.527 -0.000 0.000 0.388 147 F C 0.317 176.214 175.800 0.161 0.000 1.400 147 F CA -1.053 57.053 58.000 0.175 0.000 1.162 147 F CB -0.257 38.892 39.000 0.248 0.000 1.135 147 F HN 0.222 nan 8.300 nan 0.000 0.516 148 N N 2.523 121.075 118.700 -0.248 0.000 2.843 148 N HA 0.178 4.918 4.740 -0.000 0.000 0.284 148 N C -0.697 174.645 175.510 -0.280 0.000 1.274 148 N CA 0.238 52.947 53.050 -0.568 0.000 1.045 148 N CB 0.043 37.902 38.487 -1.047 0.000 1.370 148 N HN 0.504 nan 8.380 nan 0.000 0.525 149 R N -0.057 120.416 120.500 -0.045 0.000 2.515 149 R HA 0.209 4.549 4.340 -0.000 0.000 0.291 149 R C 0.536 176.893 176.300 0.094 0.000 1.046 149 R CA -0.567 55.478 56.100 -0.092 0.000 0.914 149 R CB 0.793 30.981 30.300 -0.187 0.000 1.191 149 R HN 0.068 nan 8.270 nan 0.000 0.435 150 F N 1.401 121.462 119.950 0.186 0.000 2.184 150 F HA -0.281 4.246 4.527 -0.000 0.000 0.301 150 F C 2.368 178.390 175.800 0.370 0.000 1.076 150 F CA 1.770 59.984 58.000 0.357 0.000 1.295 150 F CB -0.028 39.059 39.000 0.145 0.000 1.026 150 F HN 0.688 nan 8.300 nan 0.000 0.494 151 H N -2.673 116.589 119.070 0.320 0.000 2.556 151 H HA 0.049 4.605 4.556 -0.000 0.000 0.268 151 H C 1.502 176.907 175.328 0.128 0.000 0.996 151 H CA -0.053 56.109 56.048 0.190 0.000 1.157 151 H CB -1.650 28.171 29.762 0.098 0.000 1.355 151 H HN 0.262 nan 8.280 nan 0.000 0.597 152 C N 0.536 120.078 119.300 0.404 0.000 2.562 152 C HA 0.085 4.545 4.460 -0.000 0.000 0.266 152 C C 1.573 176.314 174.990 -0.415 0.000 1.382 152 C CA 0.435 59.435 59.018 -0.030 0.000 1.742 152 C CB -0.770 26.893 27.740 -0.129 0.000 1.812 152 C HN 0.778 nan 8.230 nan 0.000 0.559 153 H N -2.608 116.567 119.070 0.175 0.000 2.824 153 H HA 0.243 4.799 4.556 -0.000 0.000 0.238 153 H C 0.069 175.277 175.328 -0.201 0.000 0.931 153 H CA 0.137 56.163 56.048 -0.037 0.000 1.090 153 H CB 0.132 29.866 29.762 -0.047 0.000 1.433 153 H HN 0.336 nan 8.280 nan 0.000 0.437 154 F N 2.731 122.866 119.950 0.307 0.000 2.399 154 F HA 0.306 4.833 4.527 -0.000 0.000 0.334 154 F C 0.671 176.563 175.800 0.154 0.000 1.097 154 F CA -0.945 57.188 58.000 0.222 0.000 1.076 154 F CB 1.591 40.781 39.000 0.318 0.000 1.162 154 F HN -0.107 nan 8.300 nan 0.000 0.495 155 S N 2.309 118.217 115.700 0.347 0.000 2.451 155 S HA 0.457 4.927 4.470 -0.000 0.000 0.301 155 S C -2.320 172.385 174.600 0.174 0.000 1.116 155 S CA -1.528 56.798 58.200 0.211 0.000 1.093 155 S CB 1.934 65.236 63.200 0.169 0.000 1.017 155 S HN 0.317 nan 8.310 nan 0.000 0.482 156 P HA -0.359 nan 4.420 nan 0.000 0.220 156 P C 1.665 178.944 177.300 -0.034 0.000 0.885 156 P CA 1.972 64.963 63.100 -0.181 0.000 1.045 156 P CB -0.108 31.406 31.700 -0.309 0.000 0.724 157 R N -0.171 120.334 120.500 0.008 0.000 2.168 157 R HA -0.235 4.105 4.340 -0.000 0.000 0.242 157 R C 2.047 178.395 176.300 0.080 0.000 1.123 157 R CA 2.608 58.729 56.100 0.035 0.000 0.928 157 R CB -1.683 28.654 30.300 0.062 0.000 0.873 157 R HN 0.214 nan 8.270 nan 0.000 0.434 158 D N -0.590 119.934 120.400 0.207 0.000 2.137 158 D HA -0.282 4.358 4.640 -0.000 0.000 0.189 158 D C 1.639 178.136 176.300 0.328 0.000 0.998 158 D CA 1.667 55.905 54.000 0.396 0.000 0.839 158 D CB -0.751 40.389 40.800 0.567 0.000 0.962 158 D HN 0.453 nan 8.370 nan 0.000 0.446 159 W N 2.010 123.324 121.300 0.024 0.000 2.275 159 W HA -0.324 4.336 4.660 -0.000 0.000 0.321 159 W C 2.276 178.584 176.519 -0.352 0.000 1.269 159 W CA 2.043 59.186 57.345 -0.337 0.000 1.274 159 W CB -0.473 28.786 29.460 -0.336 0.000 1.141 159 W HN 0.166 nan 8.180 nan 0.000 0.493 160 Q N 0.218 119.943 119.800 -0.126 0.000 2.077 160 Q HA -0.268 4.072 4.340 -0.000 0.000 0.206 160 Q C 2.481 178.288 176.000 -0.322 0.000 0.989 160 Q CA 2.590 58.237 55.803 -0.261 0.000 0.853 160 Q CB -0.320 28.340 28.738 -0.130 0.000 0.907 160 Q HN 0.344 nan 8.270 nan 0.000 0.418 161 R N 0.221 120.543 120.500 -0.296 0.000 2.097 161 R HA -0.213 4.127 4.340 -0.000 0.000 0.236 161 R C 2.575 178.591 176.300 -0.474 0.000 1.135 161 R CA 1.659 57.471 56.100 -0.479 0.000 0.934 161 R CB -1.063 28.712 30.300 -0.875 0.000 0.846 161 R HN 0.353 nan 8.270 nan 0.000 0.431 162 L N 1.107 122.119 121.223 -0.351 0.000 1.933 162 L HA -0.200 4.140 4.340 -0.000 0.000 0.220 162 L C 2.384 178.958 176.870 -0.493 0.000 1.078 162 L CA 1.746 56.388 54.840 -0.330 0.000 0.773 162 L CB -0.525 41.155 42.059 -0.633 0.000 0.890 162 L HN 0.207 nan 8.230 nan 0.000 0.434 163 I N -0.010 120.117 120.570 -0.738 0.000 2.479 163 I HA -0.339 3.831 4.170 -0.000 0.000 0.258 163 I C 1.355 177.264 176.117 -0.347 0.000 1.165 163 I CA 1.501 62.422 61.300 -0.631 0.000 1.422 163 I CB -0.253 37.231 38.000 -0.859 0.000 1.087 163 I HN 0.541 nan 8.210 nan 0.000 0.441 164 N N 0.929 119.426 118.700 -0.339 0.000 2.405 164 N HA 0.027 4.767 4.740 -0.000 0.000 0.175 164 N C 0.143 175.529 175.510 -0.207 0.000 1.051 164 N CA 0.574 53.477 53.050 -0.245 0.000 0.899 164 N CB 0.134 38.473 38.487 -0.246 0.000 1.000 164 N HN 0.439 nan 8.380 nan 0.000 0.451 165 N N 0.124 118.685 118.700 -0.231 0.000 2.451 165 N HA 0.141 4.881 4.740 -0.000 0.000 0.271 165 N C -1.073 174.311 175.510 -0.210 0.000 1.410 165 N CA -0.114 52.796 53.050 -0.232 0.000 0.884 165 N CB 0.467 38.812 38.487 -0.237 0.000 1.332 165 N HN 0.054 nan 8.380 nan 0.000 0.498 166 N N -0.114 118.500 118.700 -0.143 0.000 2.480 166 N HA 0.123 4.863 4.740 -0.000 0.000 0.289 166 N C -0.001 175.616 175.510 0.179 0.000 1.073 166 N CA -0.456 52.569 53.050 -0.042 0.000 0.885 166 N CB 1.526 39.991 38.487 -0.037 0.000 1.421 166 N HN 0.189 nan 8.380 nan 0.000 0.503 167 W N 2.170 123.474 121.300 0.007 0.000 2.389 167 W HA -0.083 4.577 4.660 -0.000 0.000 0.267 167 W C 1.269 177.875 176.519 0.145 0.000 1.219 167 W CA -0.028 57.345 57.345 0.046 0.000 1.189 167 W CB 0.385 29.817 29.460 -0.046 0.000 1.129 167 W HN 0.609 nan 8.180 nan 0.000 0.581 168 G N -1.166 107.825 108.800 0.319 0.000 2.328 168 G HA2 0.405 4.365 3.960 -0.000 0.000 0.295 168 G HA3 0.405 4.365 3.960 -0.000 0.000 0.295 168 G C -1.726 173.215 174.900 0.068 0.000 1.413 168 G CA -0.676 44.569 45.100 0.242 0.000 0.817 168 G HN 0.184 nan 8.290 nan 0.000 0.546 169 F N -1.480 118.367 119.950 -0.172 0.000 2.807 169 F HA 0.923 5.450 4.527 -0.000 0.000 0.316 169 F C -0.857 175.109 175.800 0.277 0.000 1.162 169 F CA -1.222 56.603 58.000 -0.292 0.000 0.910 169 F CB 1.505 40.449 39.000 -0.092 0.000 1.314 169 F HN 0.953 nan 8.300 nan 0.000 0.454 170 R N 0.621 121.372 120.500 0.418 0.000 2.692 170 R HA 0.649 4.989 4.340 -0.000 0.000 0.269 170 R C -3.591 172.862 176.300 0.255 0.000 1.030 170 R CA -1.886 54.413 56.100 0.332 0.000 0.882 170 R CB 2.301 32.838 30.300 0.395 0.000 1.250 170 R HN 0.463 nan 8.270 nan 0.000 0.465 171 P HA 0.229 nan 4.420 nan 0.000 0.282 171 P C -0.964 175.957 177.300 -0.631 0.000 1.249 171 P CA -0.482 62.109 63.100 -0.849 0.000 0.806 171 P CB 1.889 32.522 31.700 -1.778 0.000 0.984 172 K N 1.456 121.606 120.400 -0.415 0.000 2.410 172 K HA 0.150 4.470 4.320 -0.000 0.000 0.204 172 K C 1.104 177.861 176.600 0.261 0.000 1.268 172 K CA 0.406 56.684 56.287 -0.015 0.000 0.896 172 K CB 0.797 33.302 32.500 0.008 0.000 1.401 172 K HN 0.558 nan 8.250 nan 0.000 0.479 173 R N 0.608 121.208 120.500 0.166 0.000 2.781 173 R HA 0.461 4.801 4.340 -0.000 0.000 0.269 173 R C -1.724 174.666 176.300 0.150 0.000 1.025 173 R CA -0.774 55.474 56.100 0.246 0.000 0.914 173 R CB 1.194 31.537 30.300 0.072 0.000 1.236 173 R HN 0.014 nan 8.270 nan 0.000 0.465 174 L N -0.866 120.428 121.223 0.118 0.000 2.491 174 L HA 0.679 5.019 4.340 -0.000 0.000 0.254 174 L C -1.741 175.090 176.870 -0.065 0.000 1.048 174 L CA -0.637 54.199 54.840 -0.005 0.000 0.855 174 L CB 2.260 44.311 42.059 -0.013 0.000 1.466 174 L HN 0.920 nan 8.230 nan 0.000 0.409 175 N N 0.356 118.963 118.700 -0.155 0.000 2.369 175 N HA 0.632 5.372 4.740 -0.000 0.000 0.287 175 N C -2.170 173.177 175.510 -0.271 0.000 1.067 175 N CA -0.525 52.396 53.050 -0.215 0.000 0.888 175 N CB 1.862 40.248 38.487 -0.170 0.000 1.616 175 N HN 0.750 nan 8.380 nan 0.000 0.482 176 F N 2.892 122.456 119.950 -0.642 0.000 2.577 176 F HA 0.591 5.118 4.527 -0.000 0.000 0.318 176 F C -1.255 174.290 175.800 -0.425 0.000 1.065 176 F CA -0.546 57.087 58.000 -0.610 0.000 0.929 176 F CB 1.606 40.066 39.000 -0.900 0.000 1.237 176 F HN 0.320 nan 8.300 nan 0.000 0.468 177 K N 6.498 126.545 120.400 -0.588 0.000 2.561 177 K HA 0.444 4.764 4.320 -0.000 0.000 0.254 177 K C -2.393 174.052 176.600 -0.257 0.000 0.942 177 K CA -0.613 55.555 56.287 -0.199 0.000 0.818 177 K CB 1.771 34.229 32.500 -0.069 0.000 1.306 177 K HN 0.810 nan 8.250 nan 0.000 0.435 178 L N 5.268 126.556 121.223 0.108 0.000 2.331 178 L HA 0.725 5.065 4.340 -0.000 0.000 0.275 178 L C -0.711 176.329 176.870 0.284 0.000 1.022 178 L CA -0.857 54.012 54.840 0.049 0.000 0.812 178 L CB 0.968 43.145 42.059 0.196 0.000 1.257 178 L HN 0.732 nan 8.230 nan 0.000 0.435 179 F N -0.331 119.719 119.950 0.167 0.000 2.807 179 F HA 0.378 4.905 4.527 -0.000 0.000 0.316 179 F C -0.007 175.872 175.800 0.131 0.000 1.162 179 F CA -1.277 56.808 58.000 0.142 0.000 0.910 179 F CB 0.933 39.978 39.000 0.075 0.000 1.314 179 F HN 0.517 nan 8.300 nan 0.000 0.454 180 N N 0.594 119.441 118.700 0.244 0.000 2.741 180 N HA -0.201 4.539 4.740 -0.000 0.000 0.250 180 N C -0.373 175.139 175.510 0.003 0.000 1.115 180 N CA 0.848 53.973 53.050 0.126 0.000 0.724 180 N CB -0.672 37.899 38.487 0.140 0.000 1.090 180 N HN 0.669 nan 8.380 nan 0.000 0.558 181 I N 1.426 122.034 120.570 0.064 0.000 2.880 181 I HA -0.174 3.996 4.170 -0.000 0.000 0.296 181 I C 0.946 177.059 176.117 -0.007 0.000 1.220 181 I CA 1.198 62.535 61.300 0.062 0.000 1.435 181 I CB 0.361 38.464 38.000 0.172 0.000 1.339 181 I HN 0.093 nan 8.210 nan 0.000 0.583 182 Q N 5.473 125.229 119.800 -0.073 0.000 2.284 182 Q HA 0.566 4.906 4.340 -0.000 0.000 0.269 182 Q C -1.728 174.192 176.000 -0.134 0.000 1.026 182 Q CA -0.960 54.788 55.803 -0.092 0.000 0.831 182 Q CB 2.052 30.722 28.738 -0.112 0.000 1.322 182 Q HN 0.316 nan 8.270 nan 0.000 0.419 183 V N 1.720 121.558 119.914 -0.126 0.000 2.357 183 V HA 0.479 4.599 4.120 -0.000 0.000 0.284 183 V C -0.413 175.530 176.094 -0.252 0.000 1.018 183 V CA -0.713 61.477 62.300 -0.183 0.000 0.841 183 V CB 1.085 32.848 31.823 -0.100 0.000 0.991 183 V HN 0.622 nan 8.190 nan 0.000 0.437 184 K N 3.169 123.288 120.400 -0.468 0.000 2.139 184 K HA 0.683 5.003 4.320 -0.000 0.000 0.243 184 K C -0.186 176.181 176.600 -0.389 0.000 0.983 184 K CA -0.581 55.425 56.287 -0.468 0.000 0.890 184 K CB 1.382 33.471 32.500 -0.685 0.000 1.090 184 K HN 0.952 nan 8.250 nan 0.000 0.445 185 E N 0.163 120.244 120.200 -0.197 0.000 2.302 185 E HA 0.292 4.642 4.350 -0.000 0.000 0.263 185 E C -1.079 175.514 176.600 -0.011 0.000 0.897 185 E CA -0.969 55.380 56.400 -0.085 0.000 0.809 185 E CB 1.556 31.227 29.700 -0.047 0.000 1.270 185 E HN 0.247 nan 8.360 nan 0.000 0.410 186 V N 3.019 122.965 119.914 0.053 0.000 2.775 186 V HA 0.403 4.523 4.120 -0.000 0.000 0.299 186 V C -0.685 175.438 176.094 0.048 0.000 1.062 186 V CA 0.607 62.952 62.300 0.074 0.000 1.063 186 V CB 1.409 33.305 31.823 0.121 0.000 0.994 186 V HN 0.854 nan 8.190 nan 0.000 0.483 187 T N 6.213 120.790 114.554 0.038 0.000 2.963 187 T HA 0.341 4.691 4.350 -0.000 0.000 0.328 187 T C -0.458 174.257 174.700 0.026 0.000 1.048 187 T CA -0.192 61.926 62.100 0.030 0.000 1.033 187 T CB 0.850 69.731 68.868 0.022 0.000 1.010 187 T HN 0.795 nan 8.240 nan 0.000 0.469 188 Q N 2.887 122.703 119.800 0.027 0.000 3.027 188 Q HA 0.208 4.548 4.340 -0.000 0.000 0.260 188 Q C -0.016 175.995 176.000 0.018 0.000 1.379 188 Q CA -0.389 55.427 55.803 0.020 0.000 1.038 188 Q CB 0.079 28.828 28.738 0.019 0.000 1.578 188 Q HN 0.423 nan 8.270 nan 0.000 0.571 189 N N 4.310 123.020 118.700 0.016 0.000 2.411 189 N HA -0.018 4.722 4.740 -0.000 0.000 0.259 189 N C -0.151 175.366 175.510 0.011 0.000 1.103 189 N CA 0.324 53.382 53.050 0.014 0.000 0.954 189 N CB 0.630 39.124 38.487 0.012 0.000 1.085 189 N HN 0.567 nan 8.380 nan 0.000 0.485 190 D N 1.554 121.960 120.400 0.010 0.000 3.574 190 D HA -0.233 4.407 4.640 -0.000 0.000 0.153 190 D C 0.631 176.935 176.300 0.007 0.000 0.965 190 D CA 1.005 55.010 54.000 0.008 0.000 1.047 190 D CB -0.951 39.853 40.800 0.007 0.000 0.492 190 D HN 0.535 nan 8.370 nan 0.000 0.492 191 G N 0.590 109.393 108.800 0.005 0.000 3.161 191 G HA2 0.442 4.402 3.960 -0.000 0.000 0.293 191 G HA3 0.442 4.402 3.960 -0.000 0.000 0.293 191 G C -0.303 174.600 174.900 0.004 0.000 0.893 191 G CA 0.786 45.889 45.100 0.004 0.000 1.756 191 G HN 0.667 nan 8.290 nan 0.000 0.549 192 T N -0.006 114.551 114.554 0.005 0.000 4.092 192 T HA 0.290 4.640 4.350 -0.000 0.000 0.406 192 T C -0.176 174.529 174.700 0.009 0.000 0.966 192 T CA -0.047 62.057 62.100 0.006 0.000 1.018 192 T CB -0.120 68.751 68.868 0.006 0.000 1.258 192 T HN 0.747 nan 8.240 nan 0.000 0.438 193 T N 1.707 116.267 114.554 0.009 0.000 2.934 193 T HA 0.849 5.199 4.350 -0.000 0.000 0.283 193 T C -0.157 174.552 174.700 0.016 0.000 1.005 193 T CA -0.344 61.765 62.100 0.014 0.000 1.041 193 T CB 1.617 70.493 68.868 0.014 0.000 1.042 193 T HN 1.042 nan 8.240 nan 0.000 0.505 194 T N 0.691 115.258 114.554 0.021 0.000 3.578 194 T HA 0.417 4.767 4.350 -0.000 0.000 0.329 194 T C -0.337 174.377 174.700 0.023 0.000 0.913 194 T CA -0.685 61.426 62.100 0.018 0.000 1.029 194 T CB -0.194 68.681 68.868 0.012 0.000 1.045 194 T HN 0.712 nan 8.240 nan 0.000 0.460 195 I N 2.576 123.164 120.570 0.030 0.000 2.474 195 I HA 0.691 4.861 4.170 -0.000 0.000 0.287 195 I C 0.586 176.704 176.117 0.001 0.000 1.048 195 I CA -0.400 60.920 61.300 0.033 0.000 1.383 195 I CB 1.100 39.142 38.000 0.070 0.000 1.412 195 I HN 0.938 nan 8.210 nan 0.000 0.531 196 A N 5.750 128.555 122.820 -0.025 0.000 2.606 196 A HA 0.443 4.763 4.320 -0.000 0.000 0.293 196 A C -0.861 176.682 177.584 -0.068 0.000 1.082 196 A CA -0.858 51.157 52.037 -0.037 0.000 0.685 196 A CB 1.198 20.185 19.000 -0.022 0.000 1.284 196 A HN 0.679 nan 8.150 nan 0.000 0.408 197 N N 1.486 120.147 118.700 -0.065 0.000 2.447 197 N HA -0.011 4.729 4.740 -0.000 0.000 0.263 197 N C -0.509 174.963 175.510 -0.063 0.000 1.226 197 N CA 0.418 53.422 53.050 -0.076 0.000 0.906 197 N CB 0.611 39.065 38.487 -0.056 0.000 1.060 197 N HN 0.649 nan 8.380 nan 0.000 0.468 198 N N 3.746 122.400 118.700 -0.077 0.000 2.671 198 N HA 0.131 4.871 4.740 -0.000 0.000 0.303 198 N C 1.179 176.664 175.510 -0.042 0.000 1.351 198 N CA -0.257 52.761 53.050 -0.054 0.000 0.991 198 N CB -0.152 38.300 38.487 -0.058 0.000 1.307 198 N HN 0.491 nan 8.380 nan 0.000 0.512 199 L N -0.463 120.738 121.223 -0.036 0.000 2.320 199 L HA -0.514 3.826 4.340 -0.000 0.000 0.243 199 L C 2.566 179.428 176.870 -0.013 0.000 1.131 199 L CA 2.733 57.559 54.840 -0.022 0.000 0.843 199 L CB -1.702 40.349 42.059 -0.014 0.000 0.976 199 L HN 0.584 nan 8.230 nan 0.000 0.437 200 T N -3.090 111.458 114.554 -0.009 0.000 2.544 200 T HA -0.241 4.109 4.350 -0.000 0.000 0.264 200 T C 1.252 175.951 174.700 -0.002 0.000 1.096 200 T CA 1.071 63.169 62.100 -0.003 0.000 1.181 200 T CB -0.785 68.081 68.868 -0.003 0.000 0.864 200 T HN 0.372 nan 8.240 nan 0.000 0.415 201 S N 2.099 117.793 115.700 -0.010 0.000 2.574 201 S HA 0.190 4.660 4.470 -0.000 0.000 0.302 201 S C 0.343 174.942 174.600 -0.002 0.000 1.270 201 S CA 0.453 58.647 58.200 -0.010 0.000 1.040 201 S CB -0.441 62.747 63.200 -0.020 0.000 0.767 201 S HN 1.043 nan 8.310 nan 0.000 0.494 202 T N 0.946 115.503 114.554 0.004 0.000 2.926 202 T HA 0.719 5.069 4.350 -0.000 0.000 0.289 202 T C -0.655 174.055 174.700 0.016 0.000 1.054 202 T CA -0.905 61.207 62.100 0.019 0.000 1.015 202 T CB 1.505 70.392 68.868 0.032 0.000 1.167 202 T HN 0.445 nan 8.240 nan 0.000 0.526 203 V N 2.334 122.272 119.914 0.040 0.000 2.540 203 V HA 0.494 4.614 4.120 -0.000 0.000 0.302 203 V C -0.503 175.617 176.094 0.044 0.000 1.035 203 V CA -0.752 61.571 62.300 0.039 0.000 0.873 203 V CB 1.656 33.545 31.823 0.111 0.000 0.992 203 V HN 1.034 nan 8.190 nan 0.000 0.428 204 Q N 4.489 124.291 119.800 0.002 0.000 2.342 204 Q HA 0.864 5.204 4.340 -0.000 0.000 0.267 204 Q C -1.559 174.504 176.000 0.104 0.000 1.038 204 Q CA -0.778 55.066 55.803 0.068 0.000 0.832 204 Q CB 2.561 31.367 28.738 0.114 0.000 1.323 204 Q HN 0.395 nan 8.270 nan 0.000 0.448 205 V N 2.284 122.247 119.914 0.081 0.000 2.960 205 V HA 0.788 4.908 4.120 -0.000 0.000 0.315 205 V C -0.818 175.264 176.094 -0.019 0.000 1.087 205 V CA -0.845 61.428 62.300 -0.045 0.000 0.982 205 V CB 1.573 33.098 31.823 -0.497 0.000 1.039 205 V HN 0.861 nan 8.190 nan 0.000 0.437 206 F N 0.248 120.067 119.950 -0.218 0.000 2.669 206 F HA 0.633 5.160 4.527 -0.000 0.000 0.315 206 F C -0.982 174.665 175.800 -0.255 0.000 1.109 206 F CA -0.581 57.284 58.000 -0.225 0.000 1.028 206 F CB 1.264 40.201 39.000 -0.106 0.000 1.287 206 F HN 0.536 nan 8.300 nan 0.000 0.452 207 T N 2.526 117.020 114.554 -0.099 0.000 2.794 207 T HA 0.260 4.610 4.350 -0.000 0.000 0.280 207 T C -0.052 174.594 174.700 -0.091 0.000 0.987 207 T CA -0.244 61.687 62.100 -0.281 0.000 0.993 207 T CB 0.690 69.366 68.868 -0.319 0.000 0.939 207 T HN 0.871 nan 8.240 nan 0.000 0.449 208 D N 3.918 124.163 120.400 -0.257 0.000 2.663 208 D HA -0.026 4.614 4.640 -0.000 0.000 0.243 208 D C 1.405 177.531 176.300 -0.291 0.000 1.218 208 D CA 0.065 53.986 54.000 -0.130 0.000 0.846 208 D CB -0.344 40.291 40.800 -0.274 0.000 1.014 208 D HN 0.615 nan 8.370 nan 0.000 0.476 209 S N -0.281 115.228 115.700 -0.318 0.000 2.478 209 S HA -0.268 4.202 4.470 -0.000 0.000 0.256 209 S C 1.308 175.669 174.600 -0.400 0.000 1.003 209 S CA 1.046 58.988 58.200 -0.431 0.000 0.976 209 S CB -0.366 62.658 63.200 -0.294 0.000 0.751 209 S HN 0.430 nan 8.310 nan 0.000 0.513 210 E N -0.482 119.591 120.200 -0.211 0.000 2.501 210 E HA 0.274 4.624 4.350 -0.000 0.000 0.201 210 E C -0.828 175.872 176.600 0.165 0.000 1.016 210 E CA -0.492 55.910 56.400 0.004 0.000 0.920 210 E CB -0.056 29.664 29.700 0.033 0.000 1.023 210 E HN 0.592 nan 8.360 nan 0.000 0.474 211 Y N -0.470 119.831 120.300 0.003 0.000 3.305 211 Y HA -0.335 4.215 4.550 -0.000 0.000 0.212 211 Y C 0.768 176.650 175.900 -0.030 0.000 1.248 211 Y CA 0.542 58.639 58.100 -0.004 0.000 1.359 211 Y CB -2.416 36.031 38.460 -0.022 0.000 1.407 211 Y HN 0.256 nan 8.280 nan 0.000 0.572 212 Q N -0.051 119.800 119.800 0.086 0.000 2.360 212 Q HA 0.297 4.637 4.340 -0.000 0.000 0.202 212 Q C 0.160 176.068 176.000 -0.153 0.000 0.915 212 Q CA 0.248 56.071 55.803 0.033 0.000 0.943 212 Q CB 0.541 29.358 28.738 0.132 0.000 1.064 212 Q HN 0.524 nan 8.270 nan 0.000 0.511 213 L N 1.197 122.316 121.223 -0.174 0.000 2.346 213 L HA 0.443 4.783 4.340 -0.000 0.000 0.276 213 L C -2.307 174.443 176.870 -0.201 0.000 1.006 213 L CA -2.623 52.002 54.840 -0.358 0.000 0.817 213 L CB 1.618 43.456 42.059 -0.367 0.000 1.272 213 L HN -0.222 nan 8.230 nan 0.000 0.421 214 P HA -0.165 nan 4.420 nan 0.000 0.251 214 P C -0.917 176.451 177.300 0.114 0.000 1.154 214 P CA 0.302 63.364 63.100 -0.062 0.000 0.805 214 P CB -0.307 31.321 31.700 -0.120 0.000 0.759 215 Y N 4.454 124.771 120.300 0.028 0.000 2.697 215 Y HA -0.040 4.510 4.550 -0.000 0.000 0.349 215 Y C 1.406 177.340 175.900 0.056 0.000 1.120 215 Y CA 0.282 58.420 58.100 0.063 0.000 1.468 215 Y CB 0.124 38.648 38.460 0.106 0.000 1.182 215 Y HN 0.168 nan 8.280 nan 0.000 0.525 216 V N 5.737 125.550 119.914 -0.168 0.000 2.379 216 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 216 V C 1.116 177.103 176.094 -0.179 0.000 1.035 216 V CA 0.590 62.805 62.300 -0.142 0.000 1.035 216 V CB -0.644 31.047 31.823 -0.220 0.000 0.673 216 V HN 0.595 nan 8.190 nan 0.000 0.457 217 L N 0.584 121.562 121.223 -0.408 0.000 2.510 217 L HA 0.274 4.614 4.340 -0.000 0.000 0.300 217 L C 1.655 178.417 176.870 -0.180 0.000 1.283 217 L CA 1.178 55.828 54.840 -0.316 0.000 0.834 217 L CB -0.971 40.822 42.059 -0.443 0.000 1.085 217 L HN 0.440 nan 8.230 nan 0.000 0.545 218 G N -0.093 108.588 108.800 -0.199 0.000 2.253 218 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.251 218 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.251 218 G C 0.897 175.728 174.900 -0.116 0.000 0.998 218 G CA 0.455 45.484 45.100 -0.118 0.000 0.621 218 G HN 0.579 nan 8.290 nan 0.000 0.524 219 S N 0.805 116.391 115.700 -0.191 0.000 2.743 219 S HA 0.493 4.963 4.470 -0.000 0.000 0.230 219 S C 1.691 175.994 174.600 -0.495 0.000 0.950 219 S CA 1.268 59.260 58.200 -0.346 0.000 0.976 219 S CB -0.277 62.638 63.200 -0.475 0.000 0.779 219 S HN 2.096 nan 8.310 nan 0.000 0.487 220 A N 1.178 123.828 122.820 -0.284 0.000 2.798 220 A HA -0.216 4.104 4.320 -0.000 0.000 0.282 220 A C 0.359 177.852 177.584 -0.151 0.000 1.464 220 A CA 0.878 52.800 52.037 -0.192 0.000 0.844 220 A CB -2.067 16.837 19.000 -0.160 0.000 1.006 220 A HN 0.626 nan 8.150 nan 0.000 0.577 221 H N 0.029 119.079 119.070 -0.034 0.000 2.671 221 H HA 0.413 4.969 4.556 -0.000 0.000 0.372 221 H C 1.019 176.350 175.328 0.004 0.000 1.227 221 H CA 0.787 56.830 56.048 -0.008 0.000 1.426 221 H CB 0.467 30.241 29.762 0.020 0.000 1.480 221 H HN 0.822 nan 8.280 nan 0.000 0.611 222 Q N -0.317 119.592 119.800 0.182 0.000 2.341 222 Q HA 0.557 4.897 4.340 -0.000 0.000 0.268 222 Q C 0.014 176.063 176.000 0.082 0.000 1.013 222 Q CA -0.992 54.877 55.803 0.110 0.000 0.798 222 Q CB 1.606 30.400 28.738 0.094 0.000 1.253 222 Q HN 0.821 nan 8.270 nan 0.000 0.457 223 G N 1.560 110.398 108.800 0.063 0.000 4.495 223 G HA2 0.025 3.985 3.960 -0.000 0.000 0.223 223 G HA3 0.025 3.985 3.960 -0.000 0.000 0.223 223 G C -0.002 174.901 174.900 0.006 0.000 0.843 223 G CA -0.363 44.758 45.100 0.035 0.000 1.235 223 G HN 0.668 nan 8.290 nan 0.000 0.745 224 C N -0.024 119.283 119.300 0.012 0.000 2.672 224 C HA 0.658 5.118 4.460 -0.000 0.000 0.317 224 C C 1.411 176.319 174.990 -0.136 0.000 2.142 224 C CA -0.607 58.409 59.018 -0.004 0.000 1.910 224 C CB -0.151 27.619 27.740 0.050 0.000 1.919 224 C HN 0.389 nan 8.230 nan 0.000 0.515 225 L N 1.565 122.724 121.223 -0.107 0.000 2.418 225 L HA 0.282 4.622 4.340 -0.000 0.000 0.265 225 L C -2.173 174.592 176.870 -0.174 0.000 1.143 225 L CA -1.097 53.551 54.840 -0.320 0.000 0.809 225 L CB 0.649 42.603 42.059 -0.176 0.000 1.124 225 L HN 0.320 nan 8.230 nan 0.000 0.456 226 P HA 0.119 nan 4.420 nan 0.000 0.271 226 P C -2.123 175.083 177.300 -0.156 0.000 1.216 226 P CA -1.021 62.013 63.100 -0.111 0.000 0.776 226 P CB 0.488 32.166 31.700 -0.036 0.000 0.881 227 P HA -0.089 nan 4.420 nan 0.000 0.215 227 P C 0.127 177.317 177.300 -0.185 0.000 1.157 227 P CA 0.915 63.787 63.100 -0.380 0.000 0.859 227 P CB 0.004 31.395 31.700 -0.515 0.000 0.786 228 F N 0.584 120.314 119.950 -0.366 0.000 2.421 228 F HA 0.262 4.789 4.527 -0.000 0.000 0.358 228 F C -1.654 174.043 175.800 -0.173 0.000 1.115 228 F CA -2.951 54.775 58.000 -0.456 0.000 1.160 228 F CB 0.390 38.940 39.000 -0.750 0.000 1.123 228 F HN -0.093 nan 8.300 nan 0.000 0.508 229 P HA -0.328 nan 4.420 nan 0.000 0.214 229 P C 1.403 178.537 177.300 -0.276 0.000 1.172 229 P CA 3.085 65.961 63.100 -0.374 0.000 0.925 229 P CB -0.014 31.493 31.700 -0.323 0.000 0.793 230 A N -1.171 121.280 122.820 -0.615 0.000 2.104 230 A HA -0.208 4.112 4.320 -0.000 0.000 0.223 230 A C 0.633 178.242 177.584 0.043 0.000 1.164 230 A CA 1.552 53.456 52.037 -0.221 0.000 0.659 230 A CB -1.676 17.272 19.000 -0.087 0.000 0.808 230 A HN 0.234 nan 8.150 nan 0.000 0.465 231 D N -0.827 119.628 120.400 0.091 0.000 2.390 231 D HA 0.412 5.052 4.640 -0.000 0.000 0.249 231 D C -0.298 176.127 176.300 0.208 0.000 1.144 231 D CA 0.122 54.236 54.000 0.190 0.000 0.880 231 D CB 1.214 42.140 40.800 0.211 0.000 1.182 231 D HN -0.004 nan 8.370 nan 0.000 0.451 232 V N 3.509 123.548 119.914 0.209 0.000 2.644 232 V HA 0.551 4.671 4.120 -0.000 0.000 0.295 232 V C -0.183 176.104 176.094 0.322 0.000 1.053 232 V CA -0.413 62.028 62.300 0.236 0.000 0.987 232 V CB 0.680 32.571 31.823 0.113 0.000 1.006 232 V HN 0.495 nan 8.190 nan 0.000 0.472 233 F N 2.998 123.016 119.950 0.112 0.000 2.629 233 F HA 0.748 5.275 4.527 -0.000 0.000 0.316 233 F C -0.623 175.246 175.800 0.115 0.000 1.081 233 F CA -1.307 56.758 58.000 0.107 0.000 0.954 233 F CB 2.043 41.112 39.000 0.116 0.000 1.337 233 F HN 0.482 nan 8.300 nan 0.000 0.474 234 M N 3.361 122.970 119.600 0.015 0.000 2.300 234 M HA 0.592 5.072 4.480 -0.000 0.000 0.348 234 M C -1.546 174.686 176.300 -0.112 0.000 1.151 234 M CA -0.835 54.394 55.300 -0.120 0.000 1.046 234 M CB 1.722 34.310 32.600 -0.021 0.000 1.647 234 M HN 0.611 nan 8.290 nan 0.000 0.451 235 V N 6.857 126.630 119.914 -0.235 0.000 2.555 235 V HA 0.283 4.403 4.120 -0.000 0.000 0.286 235 V C -2.071 173.924 176.094 -0.165 0.000 1.044 235 V CA -1.178 60.945 62.300 -0.295 0.000 1.026 235 V CB 0.650 32.142 31.823 -0.552 0.000 0.981 235 V HN 0.776 nan 8.190 nan 0.000 0.480 236 P HA 0.132 nan 4.420 nan 0.000 0.272 236 P C -0.821 176.263 177.300 -0.361 0.000 1.230 236 P CA -0.275 62.609 63.100 -0.359 0.000 0.788 236 P CB 0.409 31.709 31.700 -0.667 0.000 0.949 237 Q N 1.733 121.290 119.800 -0.406 0.000 2.257 237 Q HA 0.226 4.566 4.340 -0.000 0.000 0.255 237 Q C -1.265 174.740 176.000 0.008 0.000 0.920 237 Q CA -0.785 54.672 55.803 -0.576 0.000 0.927 237 Q CB 0.439 28.348 28.738 -1.383 0.000 1.229 237 Q HN 0.364 nan 8.270 nan 0.000 0.433 238 Y N 2.558 122.873 120.300 0.025 0.000 2.442 238 Y HA 0.455 5.005 4.550 -0.000 0.000 0.330 238 Y C -0.028 175.834 175.900 -0.063 0.000 1.129 238 Y CA 1.106 59.194 58.100 -0.021 0.000 1.365 238 Y CB 0.861 39.325 38.460 0.008 0.000 1.233 238 Y HN 0.710 nan 8.280 nan 0.000 0.529 239 G N 4.842 113.261 108.800 -0.635 0.000 2.704 239 G HA2 0.537 4.497 3.960 -0.000 0.000 0.293 239 G HA3 0.537 4.497 3.960 -0.000 0.000 0.293 239 G C -2.251 172.291 174.900 -0.596 0.000 1.421 239 G CA -0.683 44.096 45.100 -0.535 0.000 0.870 239 G HN 0.773 nan 8.290 nan 0.000 0.492 240 Y N -1.490 118.587 120.300 -0.372 0.000 2.705 240 Y HA 0.823 5.373 4.550 -0.000 0.000 0.332 240 Y C -1.616 174.245 175.900 -0.064 0.000 1.221 240 Y CA -1.805 56.150 58.100 -0.242 0.000 1.059 240 Y CB 1.394 39.742 38.460 -0.187 0.000 1.298 240 Y HN 0.498 nan 8.280 nan 0.000 0.459 241 L N 1.987 123.365 121.223 0.259 0.000 2.385 241 L HA 0.708 5.048 4.340 -0.000 0.000 0.273 241 L C -0.489 176.611 176.870 0.384 0.000 0.990 241 L CA -0.569 54.404 54.840 0.221 0.000 0.821 241 L CB 2.529 44.645 42.059 0.096 0.000 1.279 241 L HN 0.979 nan 8.230 nan 0.000 0.412 242 T N 0.826 115.636 114.554 0.427 0.000 2.780 242 T HA 0.578 4.927 4.350 -0.000 0.000 0.263 242 T C 0.055 174.949 174.700 0.323 0.000 0.993 242 T CA -0.767 61.584 62.100 0.418 0.000 1.010 242 T CB 0.686 69.850 68.868 0.493 0.000 1.642 242 T HN 0.130 nan 8.240 nan 0.000 0.587 243 L N 2.672 124.047 121.223 0.253 0.000 2.472 243 L HA 0.395 4.735 4.340 -0.000 0.000 0.260 243 L C 0.594 177.546 176.870 0.138 0.000 1.209 243 L CA -0.179 54.759 54.840 0.164 0.000 0.817 243 L CB 0.083 42.201 42.059 0.099 0.000 1.106 243 L HN 0.777 nan 8.230 nan 0.000 0.479 244 N N -0.042 118.712 118.700 0.089 0.000 2.710 244 N HA 0.112 4.852 4.740 -0.000 0.000 0.257 244 N C -1.616 173.898 175.510 0.007 0.000 1.140 244 N CA -0.742 52.330 53.050 0.037 0.000 0.953 244 N CB 1.289 39.870 38.487 0.156 0.000 1.664 244 N HN 0.532 nan 8.380 nan 0.000 0.497 245 N N 0.970 119.636 118.700 -0.057 0.000 2.936 245 N HA 0.465 5.205 4.740 -0.000 0.000 0.243 245 N C 0.549 175.993 175.510 -0.109 0.000 1.149 245 N CA 0.860 53.877 53.050 -0.054 0.000 0.914 245 N CB 0.341 38.791 38.487 -0.062 0.000 1.179 245 N HN 0.996 nan 8.380 nan 0.000 0.502 246 G N 1.062 109.794 108.800 -0.114 0.000 2.525 246 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.248 246 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.248 246 G C 0.809 175.407 174.900 -0.504 0.000 1.238 246 G CA 0.055 44.916 45.100 -0.398 0.000 0.926 246 G HN 0.828 nan 8.290 nan 0.000 0.574 247 S N -0.099 115.113 115.700 -0.812 0.000 2.584 247 S HA 0.126 4.596 4.470 -0.000 0.000 0.240 247 S C 0.907 175.434 174.600 -0.122 0.000 0.975 247 S CA 1.975 59.944 58.200 -0.385 0.000 0.949 247 S CB 0.076 63.079 63.200 -0.329 0.000 0.761 247 S HN 0.891 nan 8.310 nan 0.000 0.536 248 Q N 0.212 119.925 119.800 -0.145 0.000 2.241 248 Q HA 0.720 5.060 4.340 -0.000 0.000 0.262 248 Q C -0.461 175.365 176.000 -0.291 0.000 1.014 248 Q CA -0.806 54.916 55.803 -0.136 0.000 0.885 248 Q CB 1.740 30.390 28.738 -0.146 0.000 1.311 248 Q HN 0.369 nan 8.270 nan 0.000 0.461 249 A N 1.238 123.676 122.820 -0.637 0.000 2.313 249 A HA 0.570 4.890 4.320 -0.000 0.000 0.261 249 A C -0.853 176.488 177.584 -0.405 0.000 1.090 249 A CA -0.384 51.092 52.037 -0.935 0.000 0.807 249 A CB 0.750 18.891 19.000 -1.432 0.000 1.055 249 A HN 0.482 nan 8.150 nan 0.000 0.492 250 V N 0.402 120.144 119.914 -0.288 0.000 2.789 250 V HA 0.478 4.598 4.120 -0.000 0.000 0.311 250 V C 1.543 177.575 176.094 -0.104 0.000 1.073 250 V CA 0.047 62.264 62.300 -0.138 0.000 0.921 250 V CB 1.530 33.312 31.823 -0.068 0.000 1.009 250 V HN 1.225 nan 8.190 nan 0.000 0.426 251 G N 2.730 111.491 108.800 -0.064 0.000 2.553 251 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 251 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 251 G C 1.435 176.335 174.900 0.001 0.000 1.195 251 G CA 1.271 46.353 45.100 -0.030 0.000 0.779 251 G HN 0.737 nan 8.290 nan 0.000 0.577 252 R N 1.040 121.546 120.500 0.009 0.000 2.153 252 R HA -0.123 4.217 4.340 -0.000 0.000 0.252 252 R C 1.801 178.136 176.300 0.059 0.000 1.158 252 R CA 0.987 57.106 56.100 0.031 0.000 0.975 252 R CB -0.823 29.499 30.300 0.036 0.000 0.871 252 R HN 0.510 nan 8.270 nan 0.000 0.450 253 S N 1.168 116.913 115.700 0.075 0.000 2.626 253 S HA 0.011 4.481 4.470 -0.000 0.000 0.303 253 S C 0.004 174.706 174.600 0.171 0.000 1.256 253 S CA -0.432 57.861 58.200 0.153 0.000 1.069 253 S CB 0.890 64.190 63.200 0.167 0.000 0.807 253 S HN 0.071 nan 8.310 nan 0.000 0.500 254 S N 2.610 118.412 115.700 0.171 0.000 2.617 254 S HA 0.628 5.098 4.470 -0.000 0.000 0.283 254 S C -0.698 173.975 174.600 0.122 0.000 1.189 254 S CA -0.712 57.482 58.200 -0.009 0.000 1.036 254 S CB 0.753 63.760 63.200 -0.321 0.000 1.014 254 S HN 0.762 nan 8.310 nan 0.000 0.522 255 F N 2.936 122.753 119.950 -0.222 0.000 2.434 255 F HA 0.494 5.021 4.527 -0.000 0.000 0.367 255 F C -1.666 173.947 175.800 -0.311 0.000 1.093 255 F CA -1.904 55.983 58.000 -0.188 0.000 1.085 255 F CB -0.226 38.613 39.000 -0.268 0.000 1.322 255 F HN 0.499 nan 8.300 nan 0.000 0.452 256 Y N 4.656 124.910 120.300 -0.078 0.000 2.335 256 Y HA 0.342 4.892 4.550 -0.000 0.000 0.331 256 Y C 0.676 176.445 175.900 -0.219 0.000 1.094 256 Y CA -0.421 57.546 58.100 -0.222 0.000 1.253 256 Y CB 0.819 39.202 38.460 -0.129 0.000 1.203 256 Y HN 0.702 nan 8.280 nan 0.000 0.508 257 C N 5.991 125.180 119.300 -0.185 0.000 2.264 257 C HA 0.340 4.800 4.460 -0.000 0.000 0.324 257 C C 1.315 176.469 174.990 0.274 0.000 1.267 257 C CA -0.826 58.119 59.018 -0.122 0.000 1.618 257 C CB -0.929 26.592 27.740 -0.365 0.000 2.278 257 C HN 1.020 nan 8.230 nan 0.000 0.499 258 L N 3.797 125.276 121.223 0.427 0.000 2.349 258 L HA -0.059 4.281 4.340 -0.000 0.000 0.220 258 L C 2.052 179.038 176.870 0.193 0.000 1.130 258 L CA 1.679 56.573 54.840 0.090 0.000 0.791 258 L CB -0.718 40.966 42.059 -0.625 0.000 0.918 258 L HN 0.806 nan 8.230 nan 0.000 0.444 259 E N -1.523 118.918 120.200 0.403 0.000 2.371 259 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 259 E C 0.775 177.457 176.600 0.136 0.000 1.012 259 E CA 0.171 56.772 56.400 0.335 0.000 0.860 259 E CB -0.115 29.770 29.700 0.308 0.000 0.811 259 E HN 0.245 nan 8.360 nan 0.000 0.502 260 Y N 0.147 120.470 120.300 0.037 0.000 2.871 260 Y HA 0.217 4.767 4.550 -0.000 0.000 0.378 260 Y C -0.914 174.660 175.900 -0.544 0.000 1.069 260 Y CA -0.525 57.452 58.100 -0.205 0.000 1.662 260 Y CB -0.735 37.559 38.460 -0.278 0.000 1.561 260 Y HN -0.210 nan 8.280 nan 0.000 0.483 261 F N -0.430 119.386 119.950 -0.222 0.000 2.662 261 F HA 0.485 5.012 4.527 -0.000 0.000 0.312 261 F C -2.455 173.100 175.800 -0.407 0.000 1.113 261 F CA -2.599 55.123 58.000 -0.464 0.000 0.951 261 F CB 1.308 39.593 39.000 -1.192 0.000 1.344 261 F HN -0.107 nan 8.300 nan 0.000 0.462 262 P HA 0.295 nan 4.420 nan 0.000 0.227 262 P C -1.188 176.092 177.300 -0.033 0.000 1.815 262 P CA -0.534 62.513 63.100 -0.088 0.000 1.134 262 P CB 0.640 32.309 31.700 -0.051 0.000 1.795 263 S N 1.657 117.371 115.700 0.023 0.000 2.568 263 S HA 0.114 4.584 4.470 -0.000 0.000 0.282 263 S C 0.198 174.904 174.600 0.176 0.000 1.338 263 S CA -0.679 57.655 58.200 0.223 0.000 1.045 263 S CB 0.490 63.961 63.200 0.452 0.000 0.873 263 S HN 0.487 nan 8.310 nan 0.000 0.516 264 Q N 2.022 121.928 119.800 0.175 0.000 2.241 264 Q HA 0.501 4.841 4.340 -0.000 0.000 0.254 264 Q C -1.038 175.043 176.000 0.134 0.000 0.917 264 Q CA -0.617 55.276 55.803 0.151 0.000 0.919 264 Q CB 0.788 29.646 28.738 0.199 0.000 1.237 264 Q HN 0.706 nan 8.270 nan 0.000 0.434 265 M N 4.613 124.287 119.600 0.123 0.000 2.129 265 M HA 0.352 4.832 4.480 -0.000 0.000 0.348 265 M C -1.157 175.208 176.300 0.109 0.000 1.116 265 M CA -0.555 54.808 55.300 0.105 0.000 1.022 265 M CB 0.837 33.488 32.600 0.084 0.000 1.599 265 M HN 0.594 nan 8.290 nan 0.000 0.449 266 L N 2.969 124.259 121.223 0.111 0.000 2.325 266 L HA 0.636 4.975 4.340 -0.000 0.000 0.278 266 L C 0.047 176.975 176.870 0.097 0.000 1.023 266 L CA -0.400 54.515 54.840 0.125 0.000 0.811 266 L CB 1.722 43.879 42.059 0.164 0.000 1.249 266 L HN 0.696 nan 8.230 nan 0.000 0.431 267 R N -0.249 120.305 120.500 0.089 0.000 2.960 267 R HA 0.620 4.960 4.340 -0.000 0.000 0.249 267 R C -0.674 175.668 176.300 0.070 0.000 1.192 267 R CA -0.652 55.486 56.100 0.064 0.000 1.035 267 R CB 1.642 31.973 30.300 0.052 0.000 1.234 267 R HN 0.655 nan 8.270 nan 0.000 0.493 268 T N -0.333 114.251 114.554 0.050 0.000 2.802 268 T HA 0.262 4.612 4.350 -0.000 0.000 0.305 268 T C 0.905 175.645 174.700 0.066 0.000 1.053 268 T CA 0.691 62.824 62.100 0.056 0.000 1.058 268 T CB 0.688 69.576 68.868 0.033 0.000 0.988 268 T HN 0.836 nan 8.240 nan 0.000 0.539 269 G N 1.333 110.180 108.800 0.079 0.000 2.184 269 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.264 269 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.264 269 G C 0.050 175.010 174.900 0.099 0.000 0.975 269 G CA -0.308 44.840 45.100 0.081 0.000 0.642 269 G HN 0.683 nan 8.290 nan 0.000 0.536 270 N N 1.186 119.959 118.700 0.121 0.000 2.361 270 N HA 0.554 5.294 4.740 -0.000 0.000 0.302 270 N C -0.504 175.126 175.510 0.200 0.000 1.074 270 N CA -0.353 52.784 53.050 0.146 0.000 0.850 270 N CB 1.513 40.083 38.487 0.138 0.000 1.228 270 N HN 0.604 nan 8.380 nan 0.000 0.491 271 N N 0.216 119.048 118.700 0.221 0.000 2.321 271 N HA 0.438 5.178 4.740 -0.000 0.000 0.290 271 N C -1.706 173.998 175.510 0.323 0.000 1.212 271 N CA -0.533 52.690 53.050 0.287 0.000 0.767 271 N CB 1.743 40.381 38.487 0.253 0.000 1.494 271 N HN 0.351 nan 8.380 nan 0.000 0.479 272 F N 0.763 120.840 119.950 0.211 0.000 2.577 272 F HA 0.438 4.965 4.527 -0.000 0.000 0.344 272 F C -0.460 175.500 175.800 0.268 0.000 1.145 272 F CA -0.313 57.821 58.000 0.224 0.000 0.996 272 F CB 1.192 40.336 39.000 0.240 0.000 1.248 272 F HN 0.704 nan 8.300 nan 0.000 0.447 273 T N 4.434 118.769 114.554 -0.365 0.000 2.950 273 T HA 0.835 5.185 4.350 -0.000 0.000 0.288 273 T C -0.998 173.430 174.700 -0.453 0.000 1.035 273 T CA -0.465 61.459 62.100 -0.294 0.000 1.028 273 T CB 1.764 70.545 68.868 -0.145 0.000 1.109 273 T HN 0.904 nan 8.240 nan 0.000 0.514 274 F N -0.002 119.762 119.950 -0.310 0.000 2.725 274 F HA 0.596 5.123 4.527 -0.000 0.000 0.311 274 F C -1.367 174.383 175.800 -0.083 0.000 1.121 274 F CA -0.722 57.126 58.000 -0.254 0.000 0.978 274 F CB 0.801 39.591 39.000 -0.350 0.000 1.274 274 F HN 0.889 nan 8.300 nan 0.000 0.440 275 S N 3.123 119.068 115.700 0.408 0.000 2.570 275 S HA 0.753 5.223 4.470 -0.000 0.000 0.286 275 S C -2.042 172.800 174.600 0.403 0.000 1.099 275 S CA -0.480 57.827 58.200 0.179 0.000 0.913 275 S CB 2.063 65.286 63.200 0.038 0.000 1.085 275 S HN 1.131 nan 8.310 nan 0.000 0.480 276 Y N 0.839 121.196 120.300 0.095 0.000 2.605 276 Y HA 0.682 5.232 4.550 -0.000 0.000 0.343 276 Y C -0.984 174.828 175.900 -0.145 0.000 1.036 276 Y CA -0.488 57.611 58.100 -0.001 0.000 1.065 276 Y CB 2.366 40.810 38.460 -0.026 0.000 1.288 276 Y HN 0.784 nan 8.280 nan 0.000 0.481 277 T N 4.640 118.832 114.554 -0.603 0.000 2.937 277 T HA 0.390 4.740 4.350 -0.000 0.000 0.297 277 T C -0.988 173.338 174.700 -0.622 0.000 0.991 277 T CA -0.505 61.378 62.100 -0.362 0.000 0.990 277 T CB 0.419 69.139 68.868 -0.246 0.000 0.991 277 T HN 0.402 nan 8.240 nan 0.000 0.440 278 F N 2.338 122.285 119.950 -0.005 0.000 2.480 278 F HA 0.291 4.818 4.527 -0.000 0.000 0.319 278 F C 1.399 177.151 175.800 -0.080 0.000 1.230 278 F CA -0.446 57.588 58.000 0.056 0.000 1.285 278 F CB 0.618 39.608 39.000 -0.016 0.000 1.208 278 F HN 0.523 nan 8.300 nan 0.000 0.579 279 E N 0.426 120.711 120.200 0.142 0.000 2.183 279 E HA 0.171 4.521 4.350 -0.000 0.000 0.271 279 E C -1.252 175.379 176.600 0.053 0.000 0.919 279 E CA -0.931 55.501 56.400 0.053 0.000 0.781 279 E CB 1.074 30.795 29.700 0.036 0.000 1.140 279 E HN 0.456 nan 8.360 nan 0.000 0.402 280 D N 2.110 122.519 120.400 0.015 0.000 3.061 280 D HA -0.077 4.562 4.640 -0.000 0.000 0.226 280 D C -0.577 175.717 176.300 -0.010 0.000 1.168 280 D CA 0.870 54.864 54.000 -0.011 0.000 0.822 280 D CB 0.706 41.488 40.800 -0.030 0.000 1.152 280 D HN 0.196 nan 8.370 nan 0.000 0.555 281 V N 4.504 124.414 119.914 -0.007 0.000 3.141 281 V HA 0.459 4.579 4.120 -0.000 0.000 0.312 281 V C -2.391 173.719 176.094 0.026 0.000 1.157 281 V CA -1.903 60.418 62.300 0.035 0.000 1.041 281 V CB 2.571 34.448 31.823 0.090 0.000 1.071 281 V HN 0.283 nan 8.190 nan 0.000 0.441 282 P HA 0.348 nan 4.420 nan 0.000 0.285 282 P C -0.817 176.642 177.300 0.265 0.000 1.259 282 P CA -0.144 62.980 63.100 0.040 0.000 0.794 282 P CB 0.276 31.972 31.700 -0.006 0.000 0.940 283 F N 1.235 121.265 119.950 0.133 0.000 2.608 283 F HA -0.032 4.495 4.527 -0.000 0.000 0.380 283 F C 1.735 177.568 175.800 0.054 0.000 1.083 283 F CA -0.356 57.729 58.000 0.142 0.000 1.266 283 F CB 0.172 39.239 39.000 0.112 0.000 1.076 283 F HN 0.465 nan 8.300 nan 0.000 0.574 284 H N 2.804 121.866 119.070 -0.014 0.000 2.886 284 H HA 0.060 4.616 4.556 -0.000 0.000 0.329 284 H C -0.128 175.123 175.328 -0.129 0.000 1.044 284 H CA -0.788 55.076 56.048 -0.306 0.000 1.456 284 H CB 0.711 30.041 29.762 -0.721 0.000 1.464 284 H HN 0.489 nan 8.280 nan 0.000 0.573 285 S N 3.308 118.580 115.700 -0.713 0.000 2.414 285 S HA 0.086 4.556 4.470 -0.000 0.000 0.290 285 S C 0.337 174.454 174.600 -0.805 0.000 1.160 285 S CA -0.259 57.611 58.200 -0.550 0.000 1.069 285 S CB 0.157 62.967 63.200 -0.649 0.000 1.012 285 S HN 0.694 nan 8.310 nan 0.000 0.510 286 S N 2.432 118.021 115.700 -0.185 0.000 2.577 286 S HA 0.424 4.894 4.470 -0.000 0.000 0.239 286 S C -0.330 174.356 174.600 0.143 0.000 1.236 286 S CA -0.914 57.294 58.200 0.013 0.000 1.233 286 S CB -1.101 62.251 63.200 0.253 0.000 0.908 286 S HN 0.896 nan 8.310 nan 0.000 0.493 287 Y N -2.317 117.943 120.300 -0.067 0.000 2.615 287 Y HA 0.895 5.445 4.550 -0.000 0.000 0.341 287 Y C -0.617 175.189 175.900 -0.157 0.000 1.089 287 Y CA -1.798 56.301 58.100 -0.001 0.000 1.049 287 Y CB 0.667 39.103 38.460 -0.040 0.000 1.296 287 Y HN 0.194 nan 8.280 nan 0.000 0.470 288 A N 1.213 124.048 122.820 0.024 0.000 2.337 288 A HA 0.583 4.903 4.320 -0.000 0.000 0.331 288 A C -1.303 176.307 177.584 0.044 0.000 1.137 288 A CA -0.830 51.151 52.037 -0.094 0.000 0.807 288 A CB 0.516 19.500 19.000 -0.026 0.000 1.250 288 A HN 0.825 nan 8.150 nan 0.000 0.468 289 H N 1.565 120.676 119.070 0.067 0.000 2.690 289 H HA 0.194 4.750 4.556 -0.000 0.000 0.314 289 H C 1.227 176.595 175.328 0.066 0.000 1.069 289 H CA 0.602 56.700 56.048 0.083 0.000 1.436 289 H CB 1.455 31.240 29.762 0.038 0.000 1.462 289 H HN 0.754 nan 8.280 nan 0.000 0.511 290 S N 2.568 118.398 115.700 0.217 0.000 2.395 290 S HA -0.018 4.452 4.470 -0.000 0.000 0.225 290 S C 0.820 175.475 174.600 0.092 0.000 1.027 290 S CA 0.275 58.556 58.200 0.136 0.000 0.965 290 S CB 0.401 63.675 63.200 0.124 0.000 0.812 290 S HN 0.580 nan 8.310 nan 0.000 0.482 291 Q N 1.173 121.009 119.800 0.060 0.000 2.171 291 Q HA 0.638 4.978 4.340 -0.000 0.000 0.217 291 Q C -0.575 175.413 176.000 -0.019 0.000 0.995 291 Q CA -0.619 55.191 55.803 0.011 0.000 0.979 291 Q CB 1.184 29.911 28.738 -0.018 0.000 1.152 291 Q HN 0.490 nan 8.270 nan 0.000 0.525 292 S N -1.134 114.550 115.700 -0.025 0.000 2.564 292 S HA 0.361 4.831 4.470 -0.000 0.000 0.274 292 S C 0.568 175.151 174.600 -0.028 0.000 1.124 292 S CA -0.821 57.361 58.200 -0.032 0.000 0.869 292 S CB 0.735 63.938 63.200 0.005 0.000 1.105 292 S HN 0.666 nan 8.310 nan 0.000 0.472 293 L N 1.189 122.398 121.223 -0.023 0.000 2.012 293 L HA -0.334 4.006 4.340 -0.000 0.000 0.236 293 L C 2.524 179.410 176.870 0.027 0.000 1.099 293 L CA 2.723 57.575 54.840 0.021 0.000 0.821 293 L CB -1.063 41.025 42.059 0.048 0.000 0.918 293 L HN 0.960 nan 8.230 nan 0.000 0.445 294 D N 0.178 120.583 120.400 0.008 0.000 2.286 294 D HA -0.232 4.408 4.640 -0.000 0.000 0.197 294 D C 0.994 177.289 176.300 -0.008 0.000 1.015 294 D CA 1.360 55.355 54.000 -0.008 0.000 0.871 294 D CB -0.733 40.056 40.800 -0.019 0.000 1.044 294 D HN 0.096 nan 8.370 nan 0.000 0.459 295 R N 0.593 121.089 120.500 -0.007 0.000 2.459 295 R HA 0.329 4.669 4.340 -0.000 0.000 0.301 295 R C 0.408 176.708 176.300 -0.000 0.000 1.286 295 R CA 0.029 56.126 56.100 -0.005 0.000 1.046 295 R CB -0.269 30.031 30.300 0.000 0.000 1.071 295 R HN 0.466 nan 8.270 nan 0.000 0.512 296 L N 1.256 122.480 121.223 0.002 0.000 3.066 296 L HA 0.161 4.501 4.340 -0.000 0.000 0.272 296 L C -0.176 176.701 176.870 0.012 0.000 1.101 296 L CA 0.018 54.865 54.840 0.010 0.000 1.022 296 L CB 0.276 42.353 42.059 0.029 0.000 1.600 296 L HN 0.316 nan 8.230 nan 0.000 0.559 297 M N -0.553 119.048 119.600 0.001 0.000 1.921 297 M HA 0.277 4.757 4.480 -0.000 0.000 0.243 297 M C 0.155 176.451 176.300 -0.006 0.000 1.280 297 M CA -0.219 55.077 55.300 -0.006 0.000 0.988 297 M CB -0.599 31.983 32.600 -0.029 0.000 1.336 297 M HN -0.024 nan 8.290 nan 0.000 0.496 298 N N -0.028 118.667 118.700 -0.008 0.000 2.439 298 N HA 0.404 5.144 4.740 -0.000 0.000 0.249 298 N C -2.332 173.173 175.510 -0.008 0.000 1.003 298 N CA -1.856 51.192 53.050 -0.003 0.000 0.942 298 N CB 0.821 39.310 38.487 0.003 0.000 1.115 298 N HN 0.300 nan 8.380 nan 0.000 0.505 299 P HA -0.234 nan 4.420 nan 0.000 0.217 299 P C 1.278 178.575 177.300 -0.005 0.000 1.162 299 P CA 1.441 64.537 63.100 -0.007 0.000 0.901 299 P CB 0.157 31.855 31.700 -0.002 0.000 0.793 300 L N -1.939 119.284 121.223 -0.001 0.000 2.064 300 L HA -0.166 4.174 4.340 -0.000 0.000 0.216 300 L C 1.073 177.944 176.870 0.002 0.000 1.077 300 L CA 0.984 55.825 54.840 0.002 0.000 0.766 300 L CB -0.873 41.188 42.059 0.003 0.000 0.890 300 L HN 0.027 nan 8.230 nan 0.000 0.435 301 I N 0.047 120.617 120.570 0.000 0.000 2.412 301 I HA 0.202 4.372 4.170 -0.000 0.000 0.296 301 I C -0.312 175.797 176.117 -0.013 0.000 0.987 301 I CA -0.746 60.555 61.300 0.001 0.000 1.180 301 I CB 1.206 39.212 38.000 0.009 0.000 1.340 301 I HN 0.050 nan 8.210 nan 0.000 0.455 302 D N 5.720 126.113 120.400 -0.012 0.000 2.313 302 D HA 0.217 4.857 4.640 -0.000 0.000 0.247 302 D C 0.247 176.512 176.300 -0.057 0.000 1.094 302 D CA -0.412 53.569 54.000 -0.032 0.000 0.925 302 D CB 1.359 42.146 40.800 -0.022 0.000 1.188 302 D HN 0.448 nan 8.370 nan 0.000 0.430 303 Q N -0.009 119.720 119.800 -0.119 0.000 2.677 303 Q HA 0.050 4.390 4.340 -0.000 0.000 0.187 303 Q C 0.474 176.357 176.000 -0.195 0.000 1.146 303 Q CA 0.048 55.713 55.803 -0.230 0.000 1.224 303 Q CB 0.194 28.742 28.738 -0.317 0.000 1.268 303 Q HN 0.701 nan 8.270 nan 0.000 0.674 304 Y N -2.696 117.527 120.300 -0.128 0.000 2.432 304 Y HA 0.379 4.929 4.550 -0.000 0.000 0.252 304 Y C -0.181 175.574 175.900 -0.242 0.000 1.097 304 Y CA -0.670 57.321 58.100 -0.182 0.000 1.250 304 Y CB 0.574 38.978 38.460 -0.093 0.000 1.245 304 Y HN 0.166 nan 8.280 nan 0.000 0.522 305 L N 1.888 122.915 121.223 -0.326 0.000 2.371 305 L HA 0.262 4.602 4.340 -0.000 0.000 0.272 305 L C -0.616 176.177 176.870 -0.128 0.000 1.124 305 L CA -1.007 53.762 54.840 -0.117 0.000 0.816 305 L CB -0.021 41.953 42.059 -0.141 0.000 1.129 305 L HN 0.203 nan 8.230 nan 0.000 0.448 306 Y N 2.713 123.069 120.300 0.092 0.000 2.419 306 Y HA 0.489 5.039 4.550 -0.000 0.000 0.328 306 Y C -0.007 176.032 175.900 0.231 0.000 1.162 306 Y CA -0.306 57.879 58.100 0.141 0.000 1.174 306 Y CB 1.297 39.785 38.460 0.046 0.000 1.228 306 Y HN 0.550 nan 8.280 nan 0.000 0.473 307 Y N -0.739 119.755 120.300 0.324 0.000 2.634 307 Y HA 0.559 5.109 4.550 -0.000 0.000 0.340 307 Y C -1.238 174.860 175.900 0.330 0.000 1.058 307 Y CA -1.703 56.556 58.100 0.265 0.000 1.081 307 Y CB 0.941 39.475 38.460 0.123 0.000 1.295 307 Y HN 0.461 nan 8.280 nan 0.000 0.487 308 L N 4.142 125.432 121.223 0.112 0.000 2.462 308 L HA 0.094 4.434 4.340 -0.000 0.000 0.283 308 L C 0.702 177.360 176.870 -0.354 0.000 1.166 308 L CA 0.480 55.178 54.840 -0.237 0.000 0.964 308 L CB 0.155 42.137 42.059 -0.128 0.000 1.294 308 L HN 1.114 nan 8.230 nan 0.000 0.449 309 S N 4.852 120.214 115.700 -0.564 0.000 2.335 309 S HA 0.005 4.475 4.470 -0.000 0.000 0.216 309 S C 0.972 175.462 174.600 -0.183 0.000 1.032 309 S CA 0.558 58.542 58.200 -0.359 0.000 1.000 309 S CB 0.090 63.102 63.200 -0.315 0.000 0.928 309 S HN 0.617 nan 8.310 nan 0.000 0.434 310 R N -0.494 119.867 120.500 -0.231 0.000 2.854 310 R HA 0.576 4.916 4.340 -0.000 0.000 0.271 310 R C 0.067 176.240 176.300 -0.211 0.000 0.994 310 R CA -0.268 55.733 56.100 -0.165 0.000 0.945 310 R CB 1.526 31.759 30.300 -0.113 0.000 1.194 310 R HN 0.141 nan 8.270 nan 0.000 0.476 311 T N -0.214 114.254 114.554 -0.143 0.000 3.111 311 T HA 0.023 4.373 4.350 -0.000 0.000 0.236 311 T C 0.681 175.324 174.700 -0.096 0.000 0.984 311 T CA 0.305 62.326 62.100 -0.132 0.000 1.195 311 T CB 0.055 68.869 68.868 -0.089 0.000 0.929 311 T HN 0.697 nan 8.240 nan 0.000 0.431 312 N N 0.355 119.014 118.700 -0.069 0.000 2.491 312 N HA 0.482 5.222 4.740 -0.000 0.000 0.279 312 N C -1.155 174.325 175.510 -0.049 0.000 1.236 312 N CA -0.457 52.562 53.050 -0.051 0.000 0.982 312 N CB 1.527 39.991 38.487 -0.037 0.000 1.194 312 N HN -0.032 nan 8.380 nan 0.000 0.582 313 T N -0.059 114.473 114.554 -0.037 0.000 3.012 313 T HA 0.337 4.687 4.350 -0.000 0.000 0.330 313 T C -2.958 171.729 174.700 -0.022 0.000 1.321 313 T CA -0.854 61.227 62.100 -0.031 0.000 1.067 313 T CB 1.791 70.640 68.868 -0.033 0.000 1.235 313 T HN 0.369 nan 8.240 nan 0.000 0.479 314 P HA 0.156 nan 4.420 nan 0.000 0.261 314 P C -0.952 176.341 177.300 -0.012 0.000 1.183 314 P CA 0.219 63.310 63.100 -0.014 0.000 0.761 314 P CB 0.361 32.054 31.700 -0.012 0.000 0.785 315 S N 3.268 118.962 115.700 -0.011 0.000 2.259 315 S HA 0.523 4.992 4.470 -0.000 0.000 0.181 315 S C 0.966 175.561 174.600 -0.008 0.000 1.589 315 S CA 0.250 58.444 58.200 -0.009 0.000 1.234 315 S CB -0.883 62.311 63.200 -0.010 0.000 1.119 315 S HN 0.783 nan 8.310 nan 0.000 0.458 316 G N 3.617 112.413 108.800 -0.007 0.000 2.815 316 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.326 316 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.326 316 G C 1.115 176.012 174.900 -0.006 0.000 1.191 316 G CA 1.155 46.252 45.100 -0.006 0.000 0.965 316 G HN 0.644 nan 8.290 nan 0.000 0.564 317 T N 1.027 115.578 114.554 -0.006 0.000 2.901 317 T HA 0.289 4.639 4.350 -0.000 0.000 0.252 317 T C 1.286 175.982 174.700 -0.007 0.000 1.035 317 T CA 1.957 64.053 62.100 -0.005 0.000 1.142 317 T CB -0.195 68.670 68.868 -0.005 0.000 0.869 317 T HN 0.629 nan 8.240 nan 0.000 0.442 318 T N 1.902 116.452 114.554 -0.007 0.000 2.928 318 T HA 0.432 4.782 4.350 -0.000 0.000 0.284 318 T C 0.048 174.742 174.700 -0.010 0.000 1.008 318 T CA -0.449 61.646 62.100 -0.008 0.000 1.057 318 T CB 1.621 70.484 68.868 -0.008 0.000 1.018 318 T HN 0.189 nan 8.240 nan 0.000 0.493 319 T N 2.046 116.593 114.554 -0.012 0.000 2.913 319 T HA 0.247 4.597 4.350 -0.000 0.000 0.297 319 T C -0.552 174.139 174.700 -0.015 0.000 1.029 319 T CA -0.549 61.542 62.100 -0.015 0.000 1.104 319 T CB 0.464 69.322 68.868 -0.016 0.000 0.964 319 T HN 0.610 nan 8.240 nan 0.000 0.532 320 Q N 3.648 123.438 119.800 -0.017 0.000 2.274 320 Q HA 0.323 4.663 4.340 -0.000 0.000 0.268 320 Q C -0.650 175.336 176.000 -0.022 0.000 1.015 320 Q CA -0.759 55.034 55.803 -0.017 0.000 0.775 320 Q CB 1.736 30.466 28.738 -0.014 0.000 1.256 320 Q HN 0.882 nan 8.270 nan 0.000 0.442 321 S N 4.266 119.952 115.700 -0.023 0.000 2.575 321 S HA 0.158 4.628 4.470 -0.000 0.000 0.295 321 S C 0.005 174.585 174.600 -0.033 0.000 1.267 321 S CA -0.185 57.996 58.200 -0.031 0.000 1.074 321 S CB 0.436 63.620 63.200 -0.027 0.000 0.829 321 S HN 0.704 nan 8.310 nan 0.000 0.497 322 R N 2.764 123.236 120.500 -0.048 0.000 3.130 322 R HA 0.215 4.555 4.340 -0.000 0.000 0.261 322 R C -1.475 174.772 176.300 -0.089 0.000 1.683 322 R CA -0.680 55.391 56.100 -0.048 0.000 1.095 322 R CB 0.204 30.483 30.300 -0.036 0.000 1.421 322 R HN 0.757 nan 8.270 nan 0.000 0.454 323 L N 1.630 122.784 121.223 -0.116 0.000 2.410 323 L HA 0.400 4.740 4.340 -0.000 0.000 0.273 323 L C -0.218 176.455 176.870 -0.328 0.000 1.144 323 L CA 0.171 54.853 54.840 -0.263 0.000 0.863 323 L CB 0.575 42.445 42.059 -0.315 0.000 1.140 323 L HN 0.424 nan 8.230 nan 0.000 0.463 324 Q N 2.935 122.474 119.800 -0.435 0.000 2.377 324 Q HA 0.763 5.103 4.340 -0.000 0.000 0.271 324 Q C -1.302 174.358 176.000 -0.566 0.000 1.077 324 Q CA -0.463 55.163 55.803 -0.296 0.000 0.820 324 Q CB 2.385 31.044 28.738 -0.131 0.000 1.347 324 Q HN 0.561 nan 8.270 nan 0.000 0.444 325 F N -0.324 119.523 119.950 -0.171 0.000 2.538 325 F HA 0.690 5.217 4.527 -0.000 0.000 0.325 325 F C 0.278 175.971 175.800 -0.179 0.000 1.066 325 F CA -0.825 57.042 58.000 -0.222 0.000 0.946 325 F CB 2.139 41.030 39.000 -0.182 0.000 1.199 325 F HN 0.378 nan 8.300 nan 0.000 0.473 326 S N -0.266 115.374 115.700 -0.101 0.000 2.709 326 S HA 0.395 4.865 4.470 -0.000 0.000 0.302 326 S C -1.283 173.497 174.600 0.299 0.000 1.127 326 S CA -0.887 57.359 58.200 0.077 0.000 0.905 326 S CB 1.949 65.091 63.200 -0.098 0.000 1.151 326 S HN 0.594 nan 8.310 nan 0.000 0.510 327 Q N 1.367 121.315 119.800 0.247 0.000 2.430 327 Q HA 0.584 4.924 4.340 -0.000 0.000 0.245 327 Q C -0.567 175.520 176.000 0.146 0.000 1.021 327 Q CA -0.556 55.226 55.803 -0.034 0.000 0.867 327 Q CB 0.929 29.478 28.738 -0.315 0.000 1.210 327 Q HN 0.818 nan 8.270 nan 0.000 0.487 328 A N 2.936 125.898 122.820 0.237 0.000 2.580 328 A HA 0.369 4.689 4.320 -0.000 0.000 0.244 328 A C 0.473 178.053 177.584 -0.006 0.000 1.045 328 A CA 0.969 53.048 52.037 0.069 0.000 0.761 328 A CB 0.034 18.928 19.000 -0.175 0.000 0.962 328 A HN 0.840 nan 8.150 nan 0.000 0.512 329 G N 0.029 108.834 108.800 0.007 0.000 3.217 329 G HA2 0.589 4.549 3.960 -0.000 0.000 0.213 329 G HA3 0.589 4.549 3.960 -0.000 0.000 0.213 329 G C 0.962 175.850 174.900 -0.020 0.000 1.294 329 G CA 0.216 45.312 45.100 -0.007 0.000 0.987 329 G HN 1.206 nan 8.290 nan 0.000 0.584 330 A N -0.215 122.599 122.820 -0.010 0.000 1.855 330 A HA 0.010 4.330 4.320 -0.000 0.000 0.215 330 A C 2.674 180.252 177.584 -0.010 0.000 1.191 330 A CA 2.953 54.982 52.037 -0.013 0.000 0.613 330 A CB -1.155 17.842 19.000 -0.005 0.000 0.829 330 A HN 1.311 nan 8.150 nan 0.000 0.442 331 S N -0.126 115.576 115.700 0.003 0.000 2.400 331 S HA -0.209 4.261 4.470 -0.000 0.000 0.232 331 S C 1.450 176.054 174.600 0.006 0.000 1.025 331 S CA 1.604 59.809 58.200 0.009 0.000 0.993 331 S CB -0.463 62.749 63.200 0.021 0.000 0.808 331 S HN 0.520 nan 8.310 nan 0.000 0.478 332 D N 1.064 121.465 120.400 0.003 0.000 2.249 332 D HA 0.108 4.748 4.640 -0.000 0.000 0.205 332 D C 1.884 178.130 176.300 -0.090 0.000 0.962 332 D CA 0.201 54.191 54.000 -0.017 0.000 0.860 332 D CB -0.209 40.594 40.800 0.006 0.000 0.955 332 D HN 0.210 nan 8.370 nan 0.000 0.505 333 I N 1.940 122.463 120.570 -0.078 0.000 3.642 333 I HA -0.515 3.655 4.170 -0.000 0.000 0.171 333 I C 2.494 178.538 176.117 -0.121 0.000 0.746 333 I CA 2.339 63.584 61.300 -0.091 0.000 1.031 333 I CB -1.214 36.753 38.000 -0.054 0.000 0.825 333 I HN 0.284 nan 8.210 nan 0.000 0.296 334 R N 0.938 121.380 120.500 -0.097 0.000 2.178 334 R HA -0.237 4.103 4.340 -0.000 0.000 0.257 334 R C 1.364 177.568 176.300 -0.160 0.000 1.163 334 R CA 2.403 58.443 56.100 -0.100 0.000 0.981 334 R CB -0.773 29.486 30.300 -0.069 0.000 0.878 334 R HN 0.477 nan 8.270 nan 0.000 0.454 335 D N 0.739 120.980 120.400 -0.264 0.000 2.347 335 D HA -0.019 4.621 4.640 -0.000 0.000 0.213 335 D C 0.310 176.300 176.300 -0.517 0.000 0.985 335 D CA 0.396 54.102 54.000 -0.490 0.000 0.879 335 D CB -0.083 40.118 40.800 -0.999 0.000 0.919 335 D HN 0.391 nan 8.370 nan 0.000 0.526 336 Q N 0.968 120.567 119.800 -0.336 0.000 2.369 336 Q HA 0.064 4.404 4.340 -0.000 0.000 0.295 336 Q C 0.129 176.017 176.000 -0.185 0.000 1.075 336 Q CA 0.525 56.180 55.803 -0.247 0.000 0.941 336 Q CB 0.651 29.292 28.738 -0.162 0.000 1.260 336 Q HN 0.016 nan 8.270 nan 0.000 0.417 337 S N 1.809 117.415 115.700 -0.157 0.000 2.565 337 S HA 0.359 4.829 4.470 -0.000 0.000 0.274 337 S C 0.159 174.684 174.600 -0.125 0.000 1.309 337 S CA -0.454 57.674 58.200 -0.121 0.000 1.043 337 S CB 1.104 64.235 63.200 -0.115 0.000 0.939 337 S HN 0.432 nan 8.310 nan 0.000 0.504 338 R N 1.056 121.485 120.500 -0.118 0.000 3.416 338 R HA 0.525 4.865 4.340 -0.000 0.000 0.236 338 R C 0.023 176.189 176.300 -0.224 0.000 1.576 338 R CA -0.904 55.118 56.100 -0.130 0.000 1.011 338 R CB 0.314 30.570 30.300 -0.073 0.000 1.670 338 R HN 0.455 nan 8.270 nan 0.000 0.519 339 N N -1.178 117.324 118.700 -0.331 0.000 1.952 339 N HA 0.140 4.880 4.740 -0.000 0.000 0.228 339 N C -1.546 173.389 175.510 -0.959 0.000 1.398 339 N CA 0.152 52.757 53.050 -0.742 0.000 0.817 339 N CB 1.005 38.897 38.487 -0.991 0.000 1.101 339 N HN 0.290 nan 8.380 nan 0.000 0.498 340 W N 0.586 121.896 121.300 0.016 0.000 3.167 340 W HA 0.605 5.265 4.660 -0.000 0.000 0.324 340 W C -1.005 175.544 176.519 0.050 0.000 1.230 340 W CA -0.698 56.670 57.345 0.039 0.000 1.184 340 W CB 0.589 30.068 29.460 0.031 0.000 1.414 340 W HN -0.346 nan 8.180 nan 0.000 0.551 341 L N 2.565 123.994 121.223 0.344 0.000 2.334 341 L HA 0.644 4.984 4.340 -0.000 0.000 0.273 341 L C -2.099 174.939 176.870 0.279 0.000 1.013 341 L CA -2.536 52.460 54.840 0.261 0.000 0.816 341 L CB 0.421 42.648 42.059 0.279 0.000 1.278 341 L HN 0.034 nan 8.230 nan 0.000 0.431 342 P HA 0.134 nan 4.420 nan 0.000 0.270 342 P C 0.154 177.682 177.300 0.381 0.000 1.227 342 P CA -0.277 62.960 63.100 0.227 0.000 0.788 342 P CB 0.357 32.089 31.700 0.053 0.000 0.926 343 G N 1.570 110.578 108.800 0.347 0.000 2.744 343 G HA2 0.222 4.182 3.960 -0.000 0.000 0.257 343 G HA3 0.222 4.182 3.960 -0.000 0.000 0.257 343 G C -2.265 172.721 174.900 0.143 0.000 1.244 343 G CA -0.678 44.572 45.100 0.251 0.000 0.916 343 G HN 0.388 nan 8.290 nan 0.000 0.564 344 P HA 0.374 nan 4.420 nan 0.000 0.289 344 P C -0.107 177.136 177.300 -0.095 0.000 1.299 344 P CA -0.296 62.661 63.100 -0.238 0.000 0.766 344 P CB 1.200 32.691 31.700 -0.347 0.000 1.226 345 C N -2.402 116.841 119.300 -0.096 0.000 3.321 345 C HA 0.709 5.169 4.460 -0.000 0.000 0.329 345 C C -1.710 173.350 174.990 0.118 0.000 1.394 345 C CA -0.591 58.453 59.018 0.043 0.000 1.291 345 C CB 0.595 28.416 27.740 0.134 0.000 1.606 345 C HN 0.600 nan 8.230 nan 0.000 0.463 346 Y N 1.453 121.734 120.300 -0.033 0.000 2.583 346 Y HA 0.474 5.024 4.550 -0.000 0.000 0.303 346 Y C 0.372 176.262 175.900 -0.016 0.000 1.108 346 Y CA -0.299 57.783 58.100 -0.029 0.000 1.252 346 Y CB 0.072 38.517 38.460 -0.026 0.000 1.114 346 Y HN 1.066 nan 8.280 nan 0.000 0.594 347 R N 2.625 123.077 120.500 -0.080 0.000 2.652 347 R HA -0.116 4.224 4.340 -0.000 0.000 0.266 347 R C -0.613 175.633 176.300 -0.091 0.000 0.866 347 R CA 1.269 57.317 56.100 -0.087 0.000 1.107 347 R CB 0.339 30.568 30.300 -0.119 0.000 0.884 347 R HN 0.535 nan 8.270 nan 0.000 0.421 348 Q N 2.784 122.561 119.800 -0.037 0.000 2.348 348 Q HA 0.227 4.567 4.340 -0.000 0.000 0.271 348 Q C -0.609 175.364 176.000 -0.045 0.000 1.067 348 Q CA -1.019 54.766 55.803 -0.029 0.000 0.839 348 Q CB 1.811 30.560 28.738 0.019 0.000 1.354 348 Q HN 0.560 nan 8.270 nan 0.000 0.447 349 Q N 1.388 121.162 119.800 -0.043 0.000 2.373 349 Q HA 0.151 4.490 4.340 -0.000 0.000 0.255 349 Q C -0.385 175.581 176.000 -0.058 0.000 0.980 349 Q CA 0.250 56.028 55.803 -0.042 0.000 0.882 349 Q CB 0.841 29.584 28.738 0.009 0.000 1.249 349 Q HN 0.409 nan 8.270 nan 0.000 0.438 350 R N 1.535 121.980 120.500 -0.092 0.000 2.312 350 R HA 0.472 4.812 4.340 -0.000 0.000 0.311 350 R C -0.621 175.609 176.300 -0.118 0.000 1.004 350 R CA -0.408 55.609 56.100 -0.139 0.000 0.902 350 R CB 0.652 30.802 30.300 -0.250 0.000 1.073 350 R HN 0.427 nan 8.270 nan 0.000 0.457 351 V N 0.710 120.482 119.914 -0.237 0.000 2.960 351 V HA 0.737 4.857 4.120 -0.000 0.000 0.315 351 V C -0.577 175.393 176.094 -0.207 0.000 1.087 351 V CA -0.836 61.317 62.300 -0.245 0.000 0.982 351 V CB 1.834 33.386 31.823 -0.452 0.000 1.039 351 V HN 0.853 nan 8.190 nan 0.000 0.437 352 S N 1.205 116.897 115.700 -0.013 0.000 2.513 352 S HA 0.518 4.988 4.470 -0.000 0.000 0.299 352 S C 0.401 175.051 174.600 0.083 0.000 1.087 352 S CA -0.673 57.544 58.200 0.028 0.000 1.012 352 S CB 1.894 65.044 63.200 -0.084 0.000 1.044 352 S HN 0.799 nan 8.310 nan 0.000 0.485 353 K N 1.181 121.695 120.400 0.191 0.000 2.281 353 K HA -0.023 4.297 4.320 -0.000 0.000 0.203 353 K C 0.249 176.891 176.600 0.070 0.000 1.046 353 K CA 1.118 57.533 56.287 0.213 0.000 0.938 353 K CB -0.325 32.258 32.500 0.138 0.000 0.737 353 K HN 0.594 nan 8.250 nan 0.000 0.458 354 T N 1.720 116.268 114.554 -0.009 0.000 2.992 354 T HA 0.032 4.382 4.350 -0.000 0.000 0.299 354 T C 1.039 175.745 174.700 0.011 0.000 1.027 354 T CA -0.132 61.957 62.100 -0.019 0.000 1.001 354 T CB 0.810 69.638 68.868 -0.067 0.000 1.005 354 T HN 0.297 nan 8.240 nan 0.000 0.599 355 S N 3.761 119.479 115.700 0.030 0.000 2.457 355 S HA -0.366 4.104 4.470 -0.000 0.000 0.269 355 S C 2.348 176.969 174.600 0.036 0.000 1.139 355 S CA 1.531 59.755 58.200 0.040 0.000 1.176 355 S CB -1.042 62.178 63.200 0.033 0.000 1.088 355 S HN 0.820 nan 8.310 nan 0.000 0.443 356 A N 3.624 126.457 122.820 0.022 0.000 2.007 356 A HA -0.342 3.978 4.320 -0.000 0.000 0.214 356 A C 1.940 179.541 177.584 0.028 0.000 1.302 356 A CA 2.381 54.429 52.037 0.019 0.000 0.770 356 A CB -1.650 17.355 19.000 0.008 0.000 0.831 356 A HN 0.675 nan 8.150 nan 0.000 0.491 357 D N 0.809 121.227 120.400 0.029 0.000 2.370 357 D HA -0.202 4.438 4.640 -0.000 0.000 0.190 357 D C 0.130 176.460 176.300 0.051 0.000 1.019 357 D CA 1.452 55.482 54.000 0.050 0.000 0.869 357 D CB -1.276 39.574 40.800 0.084 0.000 0.944 357 D HN 0.548 nan 8.370 nan 0.000 0.456 358 N N 2.724 121.462 118.700 0.064 0.000 2.315 358 N HA -0.096 4.644 4.740 -0.000 0.000 0.270 358 N C 0.491 176.025 175.510 0.041 0.000 1.329 358 N CA 0.269 53.361 53.050 0.071 0.000 0.860 358 N CB -0.161 38.397 38.487 0.118 0.000 1.095 358 N HN 0.277 nan 8.380 nan 0.000 0.487 359 N N 2.429 121.104 118.700 -0.041 0.000 2.293 359 N HA -0.184 4.556 4.740 -0.000 0.000 0.253 359 N C -0.310 175.198 175.510 -0.003 0.000 1.248 359 N CA 0.313 53.306 53.050 -0.095 0.000 0.845 359 N CB 0.321 38.651 38.487 -0.261 0.000 1.073 359 N HN 0.454 nan 8.380 nan 0.000 0.464 360 N N 1.932 120.641 118.700 0.016 0.000 2.415 360 N HA 0.134 4.874 4.740 -0.000 0.000 0.246 360 N C -1.313 174.250 175.510 0.088 0.000 1.078 360 N CA -0.011 53.082 53.050 0.071 0.000 0.942 360 N CB -0.163 38.350 38.487 0.043 0.000 1.140 360 N HN 0.696 nan 8.380 nan 0.000 0.501 361 S N 2.152 117.961 115.700 0.183 0.000 2.625 361 S HA 0.090 4.560 4.470 -0.000 0.000 0.268 361 S C -1.344 173.426 174.600 0.284 0.000 1.075 361 S CA -0.891 57.418 58.200 0.181 0.000 0.936 361 S CB 0.389 63.664 63.200 0.125 0.000 1.190 361 S HN 0.320 nan 8.310 nan 0.000 0.474 362 E N 1.453 121.787 120.200 0.224 0.000 2.261 362 E HA 0.496 4.846 4.350 -0.000 0.000 0.239 362 E C -0.757 175.971 176.600 0.213 0.000 0.991 362 E CA -0.612 55.885 56.400 0.162 0.000 0.847 362 E CB -0.024 29.727 29.700 0.085 0.000 1.223 362 E HN 0.619 nan 8.360 nan 0.000 0.446 363 Y N 0.578 120.896 120.300 0.031 0.000 2.681 363 Y HA 0.308 4.858 4.550 -0.000 0.000 0.267 363 Y C 1.397 177.311 175.900 0.023 0.000 1.166 363 Y CA -0.364 57.748 58.100 0.020 0.000 1.209 363 Y CB -0.700 37.754 38.460 -0.011 0.000 1.161 363 Y HN 0.197 nan 8.280 nan 0.000 0.534 364 S N -0.253 115.294 115.700 -0.256 0.000 2.359 364 S HA -0.213 4.257 4.470 -0.000 0.000 0.224 364 S C 1.646 176.244 174.600 -0.004 0.000 1.035 364 S CA 1.476 59.555 58.200 -0.202 0.000 1.018 364 S CB -0.844 62.293 63.200 -0.105 0.000 0.876 364 S HN 0.809 nan 8.310 nan 0.000 0.448 365 W N 2.683 123.941 121.300 -0.070 0.000 2.726 365 W HA -0.047 4.613 4.660 -0.000 0.000 0.285 365 W C 2.604 179.118 176.519 -0.008 0.000 1.110 365 W CA 1.395 58.718 57.345 -0.036 0.000 1.579 365 W CB -0.823 28.620 29.460 -0.028 0.000 1.118 365 W HN 0.468 nan 8.180 nan 0.000 0.556 366 T N -0.553 114.103 114.554 0.170 0.000 2.714 366 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 366 T C 1.800 176.466 174.700 -0.058 0.000 1.036 366 T CA 2.414 64.558 62.100 0.074 0.000 1.148 366 T CB -1.091 67.872 68.868 0.158 0.000 0.856 366 T HN 0.149 nan 8.240 nan 0.000 0.462 367 G N 0.524 109.323 108.800 -0.001 0.000 2.887 367 G HA2 0.537 4.497 3.960 -0.000 0.000 0.211 367 G HA3 0.537 4.497 3.960 -0.000 0.000 0.211 367 G C 0.570 175.419 174.900 -0.084 0.000 1.152 367 G CA 0.165 45.270 45.100 0.007 0.000 0.769 367 G HN 0.895 nan 8.290 nan 0.000 0.541 368 A N 0.278 122.985 122.820 -0.189 0.000 2.425 368 A HA 0.538 4.858 4.320 -0.000 0.000 0.249 368 A C 0.572 177.993 177.584 -0.272 0.000 1.084 368 A CA 0.050 51.954 52.037 -0.220 0.000 0.781 368 A CB 0.207 19.058 19.000 -0.248 0.000 1.019 368 A HN 0.070 nan 8.150 nan 0.000 0.490 369 T N 2.249 116.701 114.554 -0.171 0.000 2.853 369 T HA 0.397 4.747 4.350 -0.000 0.000 0.298 369 T C 0.245 174.878 174.700 -0.111 0.000 0.978 369 T CA 0.286 62.308 62.100 -0.130 0.000 1.152 369 T CB -0.311 68.522 68.868 -0.059 0.000 0.914 369 T HN 0.783 nan 8.240 nan 0.000 0.539 370 K N 2.585 122.938 120.400 -0.079 0.000 2.318 370 K HA 0.686 5.006 4.320 -0.000 0.000 0.265 370 K C -1.517 175.176 176.600 0.155 0.000 1.055 370 K CA -1.042 55.185 56.287 -0.100 0.000 0.896 370 K CB 1.398 33.708 32.500 -0.316 0.000 1.479 370 K HN 0.479 nan 8.250 nan 0.000 0.449 371 Y N -1.554 118.823 120.300 0.128 0.000 2.677 371 Y HA 0.657 5.207 4.550 -0.000 0.000 0.334 371 Y C -1.360 174.686 175.900 0.243 0.000 1.154 371 Y CA -1.331 56.872 58.100 0.173 0.000 1.070 371 Y CB 1.010 39.525 38.460 0.091 0.000 1.294 371 Y HN 0.846 nan 8.280 nan 0.000 0.475 372 H N 1.282 120.654 119.070 0.504 0.000 3.026 372 H HA 0.605 5.161 4.556 -0.000 0.000 0.352 372 H C -2.352 173.062 175.328 0.143 0.000 1.090 372 H CA -1.344 54.938 56.048 0.390 0.000 1.268 372 H CB 1.007 30.932 29.762 0.272 0.000 1.816 372 H HN 0.871 nan 8.280 nan 0.000 0.518 373 L N 2.964 124.153 121.223 -0.056 0.000 2.331 373 L HA 0.290 4.630 4.340 -0.000 0.000 0.275 373 L C 0.926 177.719 176.870 -0.128 0.000 1.022 373 L CA -0.998 53.744 54.840 -0.163 0.000 0.812 373 L CB 0.945 42.958 42.059 -0.075 0.000 1.257 373 L HN 0.743 nan 8.230 nan 0.000 0.435 374 N N 2.258 120.877 118.700 -0.135 0.000 2.702 374 N HA -0.228 4.512 4.740 -0.000 0.000 0.255 374 N C 1.024 176.522 175.510 -0.019 0.000 0.983 374 N CA 1.111 54.126 53.050 -0.058 0.000 0.768 374 N CB -0.413 38.076 38.487 0.005 0.000 0.918 374 N HN 1.069 nan 8.380 nan 0.000 0.540 375 G N -0.811 107.935 108.800 -0.090 0.000 2.196 375 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.268 375 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.268 375 G C 0.022 175.096 174.900 0.290 0.000 0.975 375 G CA 1.034 46.224 45.100 0.149 0.000 0.648 375 G HN 0.716 nan 8.290 nan 0.000 0.538 376 R N 0.749 121.387 120.500 0.230 0.000 2.265 376 R HA 0.602 4.942 4.340 -0.000 0.000 0.328 376 R C -0.910 175.616 176.300 0.378 0.000 0.969 376 R CA -0.986 55.273 56.100 0.265 0.000 0.832 376 R CB 1.074 31.489 30.300 0.191 0.000 1.139 376 R HN 0.026 nan 8.270 nan 0.000 0.457 377 D N 1.913 122.565 120.400 0.421 0.000 2.371 377 D HA 0.136 4.776 4.640 -0.000 0.000 0.256 377 D C -0.249 176.312 176.300 0.435 0.000 1.193 377 D CA 0.447 54.727 54.000 0.465 0.000 0.881 377 D CB 1.031 42.092 40.800 0.436 0.000 1.143 377 D HN 0.470 nan 8.370 nan 0.000 0.473 378 S N 1.460 117.318 115.700 0.263 0.000 2.718 378 S HA 0.432 4.902 4.470 -0.000 0.000 0.300 378 S C -0.129 174.345 174.600 -0.210 0.000 1.117 378 S CA -0.823 57.424 58.200 0.078 0.000 1.002 378 S CB 1.691 64.889 63.200 -0.002 0.000 1.092 378 S HN 0.333 nan 8.310 nan 0.000 0.542 379 L N 1.590 122.744 121.223 -0.115 0.000 2.453 379 L HA 0.437 4.777 4.340 -0.000 0.000 0.261 379 L C -0.656 176.016 176.870 -0.331 0.000 1.179 379 L CA 0.142 54.857 54.840 -0.208 0.000 0.813 379 L CB 0.731 42.775 42.059 -0.024 0.000 1.110 379 L HN 0.423 nan 8.230 nan 0.000 0.466 380 V N 5.111 124.889 119.914 -0.226 0.000 2.220 380 V HA 0.338 4.458 4.120 -0.000 0.000 0.265 380 V C 0.253 176.312 176.094 -0.058 0.000 1.078 380 V CA -0.685 61.525 62.300 -0.150 0.000 0.872 380 V CB 0.042 31.849 31.823 -0.027 0.000 1.121 380 V HN 0.754 nan 8.190 nan 0.000 0.460 381 N N 4.432 123.101 118.700 -0.051 0.000 2.381 381 N HA 0.357 5.097 4.740 -0.000 0.000 0.254 381 N C -2.402 173.110 175.510 0.003 0.000 1.264 381 N CA -1.166 51.873 53.050 -0.018 0.000 0.942 381 N CB 0.646 39.119 38.487 -0.024 0.000 1.190 381 N HN 0.225 nan 8.380 nan 0.000 0.495 382 P HA -0.150 nan 4.420 nan 0.000 0.014 382 P C -0.072 177.253 177.300 0.042 0.000 0.517 382 P CA 0.517 63.636 63.100 0.031 0.000 1.035 382 P CB -1.228 30.487 31.700 0.025 0.000 1.908 383 G N 1.638 110.469 108.800 0.051 0.000 2.750 383 G HA2 0.266 4.226 3.960 -0.000 0.000 0.250 383 G HA3 0.266 4.226 3.960 -0.000 0.000 0.250 383 G C -2.337 172.591 174.900 0.046 0.000 1.230 383 G CA -0.988 44.145 45.100 0.055 0.000 0.883 383 G HN 0.177 nan 8.290 nan 0.000 0.573 384 P HA 0.184 nan 4.420 nan 0.000 0.265 384 P C 0.140 177.457 177.300 0.030 0.000 1.187 384 P CA 0.397 63.496 63.100 -0.001 0.000 0.766 384 P CB 0.486 32.150 31.700 -0.059 0.000 0.820 385 A N 5.171 128.019 122.820 0.046 0.000 2.540 385 A HA 0.234 4.554 4.320 -0.000 0.000 0.268 385 A C 0.413 178.045 177.584 0.080 0.000 1.061 385 A CA 0.881 52.971 52.037 0.088 0.000 0.821 385 A CB -1.303 17.784 19.000 0.145 0.000 0.970 385 A HN 0.551 nan 8.150 nan 0.000 0.524 386 M N 1.959 121.610 119.600 0.086 0.000 2.284 386 M HA 0.659 5.139 4.480 -0.000 0.000 0.281 386 M C -0.166 176.178 176.300 0.073 0.000 1.083 386 M CA -0.446 54.904 55.300 0.083 0.000 0.965 386 M CB 1.434 34.082 32.600 0.079 0.000 1.717 386 M HN 1.037 nan 8.290 nan 0.000 0.479 387 A N 2.109 124.965 122.820 0.059 0.000 2.622 387 A HA 0.152 4.472 4.320 -0.000 0.000 0.236 387 A C 1.101 178.688 177.584 0.005 0.000 1.003 387 A CA 0.830 52.877 52.037 0.017 0.000 0.781 387 A CB -0.159 18.848 19.000 0.013 0.000 0.902 387 A HN 1.189 nan 8.150 nan 0.000 0.496 388 S N 1.508 117.172 115.700 -0.061 0.000 2.558 388 S HA 0.187 4.657 4.470 -0.000 0.000 0.217 388 S C 0.444 175.084 174.600 0.067 0.000 0.975 388 S CA 0.633 58.833 58.200 0.001 0.000 0.912 388 S CB -0.474 62.758 63.200 0.053 0.000 0.776 388 S HN 1.265 nan 8.310 nan 0.000 0.526 389 H N -0.457 118.697 119.070 0.139 0.000 3.093 389 H HA 0.306 4.862 4.556 -0.000 0.000 0.312 389 H C -1.356 174.041 175.328 0.115 0.000 1.213 389 H CA -1.301 54.835 56.048 0.147 0.000 1.366 389 H CB 0.447 30.349 29.762 0.233 0.000 1.998 389 H HN 0.177 nan 8.280 nan 0.000 0.522 390 K N 1.425 121.986 120.400 0.267 0.000 2.143 390 K HA 0.080 4.400 4.320 -0.000 0.000 0.239 390 K C -0.591 176.149 176.600 0.234 0.000 1.048 390 K CA -0.496 55.901 56.287 0.184 0.000 0.867 390 K CB 0.415 32.979 32.500 0.107 0.000 1.088 390 K HN 0.384 nan 8.250 nan 0.000 0.510 391 D N 1.460 121.953 120.400 0.155 0.000 2.506 391 D HA -0.043 4.597 4.640 -0.000 0.000 0.234 391 D C -0.195 176.179 176.300 0.123 0.000 1.143 391 D CA 0.887 54.969 54.000 0.135 0.000 0.871 391 D CB 0.031 40.885 40.800 0.089 0.000 1.190 391 D HN 0.569 nan 8.370 nan 0.000 0.459 392 D N 1.545 122.004 120.400 0.099 0.000 2.835 392 D HA -0.172 4.468 4.640 -0.000 0.000 0.230 392 D C -0.368 175.958 176.300 0.043 0.000 1.130 392 D CA 0.683 54.718 54.000 0.057 0.000 0.738 392 D CB -0.642 40.193 40.800 0.058 0.000 1.090 392 D HN 0.632 nan 8.370 nan 0.000 0.433 393 E N -0.598 119.596 120.200 -0.010 0.000 3.625 393 E HA 0.034 4.384 4.350 -0.000 0.000 0.166 393 E C 0.772 177.127 176.600 -0.408 0.000 0.978 393 E CA -0.192 56.203 56.400 -0.009 0.000 1.429 393 E CB 0.506 30.429 29.700 0.372 0.000 1.100 393 E HN 0.018 nan 8.360 nan 0.000 0.428 394 E N 2.203 122.055 120.200 -0.580 0.000 2.396 394 E HA -0.187 4.163 4.350 -0.000 0.000 0.200 394 E C 1.907 178.307 176.600 -0.333 0.000 1.023 394 E CA 1.097 57.029 56.400 -0.779 0.000 0.857 394 E CB 0.021 29.584 29.700 -0.228 0.000 0.775 394 E HN 0.275 nan 8.360 nan 0.000 0.525 395 K N -0.710 119.510 120.400 -0.300 0.000 2.283 395 K HA -0.069 4.251 4.320 -0.000 0.000 0.202 395 K C -0.086 176.396 176.600 -0.197 0.000 1.048 395 K CA 0.396 56.508 56.287 -0.292 0.000 0.948 395 K CB 0.020 32.214 32.500 -0.510 0.000 0.742 395 K HN 0.034 nan 8.250 nan 0.000 0.458 396 F N 0.272 120.281 119.950 0.098 0.000 2.461 396 F HA 0.452 4.979 4.527 -0.000 0.000 0.337 396 F C 0.019 176.120 175.800 0.501 0.000 1.079 396 F CA -1.056 57.058 58.000 0.189 0.000 1.032 396 F CB 0.973 40.021 39.000 0.080 0.000 1.327 396 F HN 0.022 nan 8.300 nan 0.000 0.491 397 F N -2.392 117.783 119.950 0.375 0.000 2.843 397 F HA 0.486 5.013 4.527 -0.000 0.000 0.323 397 F C -3.523 172.369 175.800 0.154 0.000 1.142 397 F CA -2.600 55.544 58.000 0.240 0.000 0.925 397 F CB 0.095 39.211 39.000 0.193 0.000 1.277 397 F HN 0.047 nan 8.300 nan 0.000 0.446 398 P HA 0.171 nan 4.420 nan 0.000 0.272 398 P C -0.098 177.282 177.300 0.133 0.000 1.230 398 P CA 0.023 63.204 63.100 0.135 0.000 0.788 398 P CB 1.069 32.858 31.700 0.147 0.000 0.949 399 Q N 0.922 120.745 119.800 0.038 0.000 2.172 399 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 399 Q C 0.517 176.564 176.000 0.078 0.000 0.964 399 Q CA 1.614 57.435 55.803 0.029 0.000 0.855 399 Q CB 0.048 28.774 28.738 -0.019 0.000 0.918 399 Q HN 0.555 nan 8.270 nan 0.000 0.444 400 S N -3.009 112.732 115.700 0.068 0.000 3.082 400 S HA 0.275 4.745 4.470 -0.000 0.000 0.253 400 S C 0.775 175.414 174.600 0.065 0.000 0.961 400 S CA -0.151 58.081 58.200 0.054 0.000 1.129 400 S CB 0.935 64.138 63.200 0.006 0.000 1.083 400 S HN 0.280 nan 8.310 nan 0.000 0.605 401 G N 1.550 110.410 108.800 0.101 0.000 3.141 401 G HA2 0.450 4.410 3.960 -0.000 0.000 0.218 401 G HA3 0.450 4.410 3.960 -0.000 0.000 0.218 401 G C 0.376 175.335 174.900 0.099 0.000 1.170 401 G CA 0.487 45.647 45.100 0.099 0.000 0.769 401 G HN 0.837 nan 8.290 nan 0.000 0.546 402 V N -3.208 116.760 119.914 0.090 0.000 3.130 402 V HA 0.735 4.855 4.120 -0.000 0.000 0.310 402 V C -0.762 175.315 176.094 -0.028 0.000 1.158 402 V CA -1.680 60.647 62.300 0.044 0.000 1.029 402 V CB 2.001 33.845 31.823 0.035 0.000 1.057 402 V HN -0.107 nan 8.190 nan 0.000 0.436 403 L N 2.014 123.186 121.223 -0.086 0.000 2.326 403 L HA 0.638 4.978 4.340 -0.000 0.000 0.278 403 L C -0.440 176.282 176.870 -0.247 0.000 1.092 403 L CA 0.193 54.905 54.840 -0.214 0.000 0.810 403 L CB 0.983 42.902 42.059 -0.234 0.000 1.153 403 L HN 0.594 nan 8.230 nan 0.000 0.439 404 I N 4.084 124.443 120.570 -0.351 0.000 2.500 404 I HA 0.328 4.498 4.170 -0.000 0.000 0.286 404 I C -1.035 174.916 176.117 -0.276 0.000 1.063 404 I CA -0.374 60.799 61.300 -0.212 0.000 1.062 404 I CB 1.189 39.115 38.000 -0.123 0.000 1.223 404 I HN 0.286 nan 8.210 nan 0.000 0.435 405 F N 2.964 122.869 119.950 -0.075 0.000 2.440 405 F HA 0.710 5.237 4.527 -0.000 0.000 0.328 405 F C 1.092 176.873 175.800 -0.032 0.000 1.070 405 F CA -0.839 57.137 58.000 -0.040 0.000 1.011 405 F CB 1.211 40.193 39.000 -0.030 0.000 1.226 405 F HN 0.361 nan 8.300 nan 0.000 0.491 406 G N 0.836 109.746 108.800 0.182 0.000 2.420 406 G HA2 0.392 4.352 3.960 -0.000 0.000 0.284 406 G HA3 0.392 4.352 3.960 -0.000 0.000 0.284 406 G C -0.893 174.049 174.900 0.069 0.000 1.177 406 G CA -0.793 44.363 45.100 0.094 0.000 0.841 406 G HN 0.531 nan 8.290 nan 0.000 0.527 407 K N 1.538 121.952 120.400 0.024 0.000 2.322 407 K HA 0.087 4.407 4.320 -0.000 0.000 0.283 407 K C 0.598 177.186 176.600 -0.020 0.000 1.042 407 K CA -0.397 55.880 56.287 -0.017 0.000 0.958 407 K CB 0.822 33.301 32.500 -0.034 0.000 0.984 407 K HN 0.470 nan 8.250 nan 0.000 0.473 408 Q N 2.009 121.783 119.800 -0.044 0.000 2.955 408 Q HA -0.213 4.127 4.340 -0.000 0.000 0.361 408 Q C 0.720 176.704 176.000 -0.026 0.000 1.060 408 Q CA 2.036 57.816 55.803 -0.038 0.000 1.177 408 Q CB -0.181 28.502 28.738 -0.091 0.000 0.991 408 Q HN 0.950 nan 8.270 nan 0.000 0.414 409 G N 2.933 111.732 108.800 -0.001 0.000 2.493 409 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.206 409 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.206 409 G C 0.058 174.961 174.900 0.006 0.000 1.109 409 G CA 0.047 45.147 45.100 -0.000 0.000 0.689 409 G HN 0.721 nan 8.290 nan 0.000 0.516 410 S N 2.386 118.089 115.700 0.006 0.000 3.332 410 S HA 0.157 4.627 4.470 -0.000 0.000 0.395 410 S C 0.724 175.333 174.600 0.015 0.000 1.180 410 S CA 0.989 59.195 58.200 0.010 0.000 0.985 410 S CB 0.388 63.598 63.200 0.015 0.000 0.694 410 S HN 0.608 nan 8.310 nan 0.000 0.502 411 E N 1.740 121.947 120.200 0.011 0.000 2.435 411 E HA 0.007 4.357 4.350 -0.000 0.000 0.256 411 E C 1.415 178.023 176.600 0.014 0.000 1.245 411 E CA -0.269 56.138 56.400 0.012 0.000 0.989 411 E CB 0.323 30.027 29.700 0.008 0.000 0.983 411 E HN 0.546 nan 8.360 nan 0.000 0.480 412 K N 0.156 120.564 120.400 0.013 0.000 2.062 412 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 412 K C 0.725 177.332 176.600 0.011 0.000 1.051 412 K CA 1.211 57.506 56.287 0.013 0.000 0.941 412 K CB 0.154 32.661 32.500 0.012 0.000 0.719 412 K HN 0.457 nan 8.250 nan 0.000 0.440 413 T N -1.339 113.220 114.554 0.009 0.000 2.908 413 T HA 0.217 4.567 4.350 -0.000 0.000 0.290 413 T C -0.564 174.141 174.700 0.007 0.000 1.034 413 T CA -0.384 61.720 62.100 0.007 0.000 1.010 413 T CB 1.176 70.047 68.868 0.005 0.000 1.068 413 T HN 0.426 nan 8.240 nan 0.000 0.481 414 N N 0.521 119.226 118.700 0.008 0.000 2.686 414 N HA -0.149 4.591 4.740 -0.000 0.000 0.249 414 N C -0.053 175.464 175.510 0.011 0.000 1.082 414 N CA 0.793 53.848 53.050 0.009 0.000 0.725 414 N CB -1.037 37.454 38.487 0.006 0.000 1.009 414 N HN 0.533 nan 8.380 nan 0.000 0.545 415 V N 0.306 120.227 119.914 0.011 0.000 2.843 415 V HA -0.028 4.092 4.120 -0.000 0.000 0.305 415 V C 0.692 176.795 176.094 0.016 0.000 1.065 415 V CA -0.024 62.283 62.300 0.012 0.000 1.116 415 V CB 0.842 32.672 31.823 0.011 0.000 0.968 415 V HN 0.186 nan 8.190 nan 0.000 0.487 416 D N 3.601 124.009 120.400 0.015 0.000 2.345 416 D HA 0.047 4.687 4.640 -0.000 0.000 0.247 416 D C 1.146 177.459 176.300 0.022 0.000 1.108 416 D CA 0.102 54.114 54.000 0.020 0.000 0.894 416 D CB 1.422 42.231 40.800 0.017 0.000 1.203 416 D HN 0.589 nan 8.370 nan 0.000 0.430 417 I N 2.823 123.413 120.570 0.034 0.000 2.210 417 I HA -0.398 3.772 4.170 -0.000 0.000 0.249 417 I C 1.545 177.672 176.117 0.017 0.000 1.047 417 I CA 1.988 63.311 61.300 0.037 0.000 1.323 417 I CB 0.085 38.122 38.000 0.061 0.000 1.017 417 I HN 0.429 nan 8.210 nan 0.000 0.427 418 E N 0.106 120.314 120.200 0.012 0.000 2.333 418 E HA -0.181 4.169 4.350 -0.000 0.000 0.198 418 E C 1.638 178.236 176.600 -0.004 0.000 1.007 418 E CA 0.765 57.166 56.400 0.002 0.000 0.845 418 E CB -0.108 29.593 29.700 0.000 0.000 0.766 418 E HN 0.391 nan 8.360 nan 0.000 0.507 419 K N 0.286 120.687 120.400 0.001 0.000 2.393 419 K HA 0.103 4.422 4.320 -0.000 0.000 0.193 419 K C 0.611 177.213 176.600 0.003 0.000 1.026 419 K CA 0.202 56.489 56.287 -0.001 0.000 1.064 419 K CB 0.125 32.627 32.500 0.003 0.000 0.833 419 K HN 0.181 nan 8.250 nan 0.000 0.521 420 V N -2.453 117.463 119.914 0.003 0.000 3.103 420 V HA 0.596 4.715 4.120 -0.000 0.000 0.318 420 V C -0.338 175.755 176.094 -0.001 0.000 1.114 420 V CA -1.207 61.098 62.300 0.009 0.000 1.020 420 V CB 2.097 33.923 31.823 0.006 0.000 1.085 420 V HN -0.065 nan 8.190 nan 0.000 0.446 421 M N 2.814 122.430 119.600 0.027 0.000 2.125 421 M HA 0.580 5.060 4.480 -0.000 0.000 0.321 421 M C -1.183 175.130 176.300 0.021 0.000 0.983 421 M CA -0.187 55.124 55.300 0.020 0.000 0.934 421 M CB 1.676 34.298 32.600 0.036 0.000 1.542 421 M HN 0.535 nan 8.290 nan 0.000 0.424 422 I N 2.838 123.364 120.570 -0.073 0.000 2.331 422 I HA 0.273 4.443 4.170 -0.000 0.000 0.292 422 I C 0.892 176.947 176.117 -0.103 0.000 0.998 422 I CA -0.525 60.686 61.300 -0.150 0.000 1.267 422 I CB 1.751 39.513 38.000 -0.397 0.000 1.386 422 I HN 0.674 nan 8.210 nan 0.000 0.476 423 T N 1.403 115.896 114.554 -0.102 0.000 2.898 423 T HA 0.170 4.520 4.350 -0.000 0.000 0.301 423 T C -0.430 174.254 174.700 -0.027 0.000 1.049 423 T CA -0.740 61.277 62.100 -0.138 0.000 1.095 423 T CB 1.470 70.082 68.868 -0.426 0.000 0.976 423 T HN 0.665 nan 8.240 nan 0.000 0.539 424 D N 0.996 121.442 120.400 0.077 0.000 2.649 424 D HA 0.133 4.773 4.640 -0.000 0.000 0.249 424 D C -0.390 175.983 176.300 0.122 0.000 1.112 424 D CA -0.551 53.512 54.000 0.105 0.000 0.850 424 D CB 1.636 42.529 40.800 0.155 0.000 1.399 424 D HN 0.618 nan 8.370 nan 0.000 0.503 425 E N 3.346 123.575 120.200 0.049 0.000 2.651 425 E HA 0.028 4.378 4.350 -0.000 0.000 0.213 425 E C 1.109 177.686 176.600 -0.039 0.000 1.028 425 E CA -0.079 56.353 56.400 0.054 0.000 1.183 425 E CB 0.685 30.440 29.700 0.091 0.000 1.188 425 E HN 0.653 nan 8.360 nan 0.000 0.444 426 E N 0.970 121.102 120.200 -0.114 0.000 2.097 426 E HA -0.271 4.079 4.350 -0.000 0.000 0.196 426 E C 0.778 177.356 176.600 -0.036 0.000 1.000 426 E CA 1.196 57.516 56.400 -0.133 0.000 0.804 426 E CB -0.251 29.402 29.700 -0.078 0.000 0.740 426 E HN 0.139 nan 8.360 nan 0.000 0.454 427 E N 1.127 121.312 120.200 -0.024 0.000 2.271 427 E HA -0.211 4.139 4.350 -0.000 0.000 0.209 427 E C 2.063 178.658 176.600 -0.009 0.000 1.046 427 E CA 1.725 58.108 56.400 -0.028 0.000 0.840 427 E CB -0.437 29.218 29.700 -0.075 0.000 0.738 427 E HN 0.459 nan 8.360 nan 0.000 0.470 428 I N -0.029 120.542 120.570 0.003 0.000 2.333 428 I HA -0.205 3.965 4.170 -0.000 0.000 0.246 428 I C 2.021 178.176 176.117 0.063 0.000 1.106 428 I CA 0.630 61.954 61.300 0.040 0.000 1.411 428 I CB -0.194 37.840 38.000 0.057 0.000 1.082 428 I HN 0.047 nan 8.210 nan 0.000 0.420 429 R N -0.041 120.485 120.500 0.042 0.000 2.462 429 R HA -0.367 3.973 4.340 -0.000 0.000 0.238 429 R C 2.196 178.529 176.300 0.054 0.000 0.980 429 R CA 2.472 58.599 56.100 0.044 0.000 0.889 429 R CB -1.713 28.612 30.300 0.040 0.000 0.911 429 R HN 0.352 nan 8.270 nan 0.000 0.448 430 T N -1.064 113.529 114.554 0.064 0.000 2.869 430 T HA -0.178 4.172 4.350 -0.000 0.000 0.270 430 T C 1.616 176.346 174.700 0.051 0.000 1.082 430 T CA 2.066 64.202 62.100 0.061 0.000 1.123 430 T CB -0.125 68.799 68.868 0.094 0.000 0.856 430 T HN 0.745 nan 8.240 nan 0.000 0.499 431 T N -3.189 111.418 114.554 0.088 0.000 3.105 431 T HA 0.306 4.656 4.350 -0.000 0.000 0.257 431 T C 0.430 175.224 174.700 0.157 0.000 0.949 431 T CA -0.562 61.602 62.100 0.106 0.000 0.959 431 T CB 0.031 68.973 68.868 0.124 0.000 1.205 431 T HN 0.184 nan 8.240 nan 0.000 0.496 432 N N 2.696 121.493 118.700 0.160 0.000 2.466 432 N HA 0.626 5.366 4.740 -0.000 0.000 0.294 432 N C -2.965 172.616 175.510 0.118 0.000 1.129 432 N CA -2.050 51.104 53.050 0.172 0.000 0.931 432 N CB 0.864 39.454 38.487 0.171 0.000 1.193 432 N HN 0.136 nan 8.380 nan 0.000 0.500 433 P HA 0.059 nan 4.420 nan 0.000 0.271 433 P C -0.555 176.789 177.300 0.074 0.000 1.244 433 P CA -0.292 62.864 63.100 0.093 0.000 0.793 433 P CB 0.557 32.363 31.700 0.177 0.000 0.984 434 V N 1.519 121.464 119.914 0.051 0.000 2.461 434 V HA 0.176 4.296 4.120 -0.000 0.000 0.275 434 V C 1.576 177.702 176.094 0.053 0.000 1.047 434 V CA 0.396 62.725 62.300 0.049 0.000 0.955 434 V CB 0.065 31.912 31.823 0.040 0.000 0.988 434 V HN 0.717 nan 8.190 nan 0.000 0.471 435 A N 4.881 127.738 122.820 0.061 0.000 1.894 435 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 435 A C 2.281 179.886 177.584 0.035 0.000 1.237 435 A CA 3.046 55.120 52.037 0.062 0.000 0.660 435 A CB -1.110 17.937 19.000 0.078 0.000 0.835 435 A HN 1.044 nan 8.150 nan 0.000 0.461 436 T N -2.220 112.345 114.554 0.019 0.000 2.995 436 T HA 0.071 4.421 4.350 -0.000 0.000 0.269 436 T C 0.542 175.217 174.700 -0.042 0.000 1.091 436 T CA 1.126 63.209 62.100 -0.027 0.000 1.128 436 T CB -0.225 68.604 68.868 -0.065 0.000 0.891 436 T HN 0.611 nan 8.240 nan 0.000 0.492 437 E N 2.349 122.537 120.200 -0.021 0.000 2.183 437 E HA 0.292 4.642 4.350 -0.000 0.000 0.271 437 E C -0.084 176.519 176.600 0.005 0.000 0.919 437 E CA -1.072 55.315 56.400 -0.023 0.000 0.781 437 E CB 0.994 30.677 29.700 -0.030 0.000 1.140 437 E HN 0.329 nan 8.360 nan 0.000 0.402 438 Q N 2.951 122.752 119.800 0.002 0.000 2.379 438 Q HA -0.209 4.131 4.340 -0.000 0.000 0.320 438 Q C 0.011 176.060 176.000 0.080 0.000 1.153 438 Q CA 0.668 56.494 55.803 0.038 0.000 0.993 438 Q CB 0.228 28.979 28.738 0.021 0.000 1.265 438 Q HN 0.809 nan 8.270 nan 0.000 0.423 439 Y N 2.504 122.795 120.300 -0.015 0.000 2.070 439 Y HA -0.053 4.497 4.550 -0.000 0.000 0.279 439 Y C 1.427 177.327 175.900 -0.001 0.000 1.134 439 Y CA 2.556 60.653 58.100 -0.004 0.000 1.113 439 Y CB -0.258 38.200 38.460 -0.003 0.000 0.981 439 Y HN 0.821 nan 8.280 nan 0.000 0.487 440 G N -2.282 106.572 108.800 0.089 0.000 3.255 440 G HA2 0.455 4.415 3.960 -0.000 0.000 0.161 440 G HA3 0.455 4.415 3.960 -0.000 0.000 0.161 440 G C -1.350 173.572 174.900 0.037 0.000 1.173 440 G CA -0.192 44.901 45.100 -0.012 0.000 1.106 440 G HN 0.576 nan 8.290 nan 0.000 0.650 441 S N -0.781 114.944 115.700 0.042 0.000 2.561 441 S HA 0.526 4.996 4.470 -0.000 0.000 0.292 441 S C -1.169 173.452 174.600 0.035 0.000 1.107 441 S CA -0.606 57.614 58.200 0.032 0.000 0.969 441 S CB 1.044 64.250 63.200 0.010 0.000 1.150 441 S HN 0.801 nan 8.310 nan 0.000 0.451 442 V N 2.112 122.048 119.914 0.038 0.000 2.863 442 V HA 0.699 4.819 4.120 -0.000 0.000 0.307 442 V C 0.960 177.066 176.094 0.020 0.000 1.061 442 V CA -0.583 61.736 62.300 0.033 0.000 1.024 442 V CB 1.904 33.748 31.823 0.035 0.000 1.049 442 V HN 1.018 nan 8.190 nan 0.000 0.471 443 S N 1.268 116.979 115.700 0.018 0.000 2.580 443 S HA 0.221 4.691 4.470 -0.000 0.000 0.274 443 S C 0.863 175.469 174.600 0.010 0.000 1.329 443 S CA 0.023 58.231 58.200 0.013 0.000 1.036 443 S CB 1.189 64.397 63.200 0.014 0.000 0.919 443 S HN 0.844 nan 8.310 nan 0.000 0.515 444 T N 3.794 118.351 114.554 0.006 0.000 3.115 444 T HA 0.091 4.441 4.350 -0.000 0.000 0.235 444 T C 0.831 175.533 174.700 0.004 0.000 0.999 444 T CA 0.358 62.460 62.100 0.004 0.000 1.276 444 T CB -0.496 68.373 68.868 0.001 0.000 0.967 444 T HN 0.859 nan 8.240 nan 0.000 0.420 445 N N 1.810 120.512 118.700 0.003 0.000 2.374 445 N HA 0.261 5.001 4.740 -0.000 0.000 0.284 445 N C -0.790 174.722 175.510 0.004 0.000 1.280 445 N CA -0.491 52.560 53.050 0.002 0.000 0.963 445 N CB -0.035 38.452 38.487 0.001 0.000 1.141 445 N HN 0.264 nan 8.380 nan 0.000 0.565 446 L N 0.231 121.456 121.223 0.004 0.000 2.325 446 L HA 0.324 4.664 4.340 -0.000 0.000 0.281 446 L C -0.060 176.812 176.870 0.003 0.000 1.004 446 L CA -1.130 53.713 54.840 0.005 0.000 0.823 446 L CB 1.382 43.444 42.059 0.005 0.000 1.236 446 L HN 0.661 nan 8.230 nan 0.000 0.415 447 Q N 3.927 123.728 119.800 0.002 0.000 2.312 447 Q HA 0.693 5.033 4.340 -0.000 0.000 0.236 447 Q C -0.429 175.571 176.000 -0.000 0.000 0.965 447 Q CA -0.404 55.399 55.803 -0.000 0.000 0.894 447 Q CB 1.376 30.113 28.738 -0.002 0.000 1.225 447 Q HN 0.682 nan 8.270 nan 0.000 0.478 448 R N -0.769 119.730 120.500 -0.002 0.000 2.747 448 R HA 0.513 4.853 4.340 -0.000 0.000 0.272 448 R C 0.548 176.846 176.300 -0.004 0.000 1.032 448 R CA -0.541 55.558 56.100 -0.002 0.000 0.896 448 R CB 0.006 30.306 30.300 -0.001 0.000 1.253 448 R HN 0.671 nan 8.270 nan 0.000 0.461 449 G N 1.072 109.869 108.800 -0.004 0.000 2.599 449 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.219 449 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.219 449 G C 0.678 175.575 174.900 -0.005 0.000 1.193 449 G CA 1.472 46.569 45.100 -0.005 0.000 0.778 449 G HN 0.806 nan 8.290 nan 0.000 0.589 450 N N -1.211 117.486 118.700 -0.004 0.000 2.484 450 N HA 0.329 5.069 4.740 -0.000 0.000 0.245 450 N C 0.231 175.738 175.510 -0.004 0.000 1.184 450 N CA -0.179 52.869 53.050 -0.004 0.000 0.884 450 N CB 0.367 38.852 38.487 -0.003 0.000 1.182 450 N HN 0.303 nan 8.380 nan 0.000 0.493 451 R N 0.451 120.949 120.500 -0.004 0.000 2.658 451 R HA 0.087 4.427 4.340 -0.000 0.000 0.287 451 R C -1.224 175.074 176.300 -0.004 0.000 1.209 451 R CA -0.508 55.590 56.100 -0.004 0.000 1.046 451 R CB 0.640 30.939 30.300 -0.002 0.000 1.247 451 R HN 0.138 nan 8.270 nan 0.000 0.405 452 Q N 1.737 121.534 119.800 -0.005 0.000 2.428 452 Q HA 0.178 4.518 4.340 -0.000 0.000 0.276 452 Q C -0.287 175.710 176.000 -0.005 0.000 1.059 452 Q CA 0.528 56.327 55.803 -0.006 0.000 0.923 452 Q CB 1.031 29.765 28.738 -0.006 0.000 1.283 452 Q HN 0.699 nan 8.270 nan 0.000 0.447 453 A N 1.920 124.737 122.820 -0.005 0.000 2.444 453 A HA 0.448 4.768 4.320 -0.000 0.000 0.273 453 A C 0.182 177.765 177.584 -0.002 0.000 1.136 453 A CA 0.264 52.299 52.037 -0.003 0.000 0.799 453 A CB -0.040 18.958 19.000 -0.003 0.000 1.081 453 A HN 0.719 nan 8.150 nan 0.000 0.509 454 A N 2.554 125.374 122.820 -0.001 0.000 2.267 454 A HA 0.809 5.129 4.320 -0.000 0.000 0.271 454 A C 0.586 178.171 177.584 0.001 0.000 1.131 454 A CA 0.421 52.458 52.037 -0.001 0.000 0.818 454 A CB 0.600 19.599 19.000 -0.001 0.000 1.118 454 A HN 1.752 nan 8.150 nan 0.000 0.501 455 T N -2.368 112.186 114.554 0.000 0.000 2.843 455 T HA 0.572 4.922 4.350 -0.000 0.000 0.337 455 T C -1.544 173.157 174.700 0.000 0.000 1.754 455 T CA 0.319 62.421 62.100 0.002 0.000 1.052 455 T CB 0.690 69.559 68.868 0.002 0.000 1.588 455 T HN 2.369 nan 8.240 nan 0.000 0.493 456 A N 2.642 125.464 122.820 0.003 0.000 2.589 456 A HA 0.693 5.013 4.320 -0.000 0.000 0.296 456 A C -1.556 176.031 177.584 0.005 0.000 1.062 456 A CA -0.756 51.282 52.037 0.000 0.000 0.686 456 A CB 1.523 20.522 19.000 -0.002 0.000 1.282 456 A HN 0.779 nan 8.150 nan 0.000 0.404 457 D N 0.321 120.721 120.400 0.001 0.000 2.304 457 D HA 0.402 5.042 4.640 -0.000 0.000 0.247 457 D C -0.073 176.235 176.300 0.012 0.000 1.089 457 D CA 0.332 54.336 54.000 0.007 0.000 0.910 457 D CB 1.860 42.658 40.800 -0.004 0.000 1.199 457 D HN 0.624 nan 8.370 nan 0.000 0.426 458 V N 2.321 122.257 119.914 0.037 0.000 2.384 458 V HA 0.318 4.438 4.120 -0.000 0.000 0.287 458 V C -0.025 176.092 176.094 0.038 0.000 1.020 458 V CA -0.420 61.903 62.300 0.038 0.000 0.850 458 V CB 1.231 33.096 31.823 0.069 0.000 0.987 458 V HN 0.504 nan 8.190 nan 0.000 0.436 459 N N 3.749 122.441 118.700 -0.013 0.000 2.299 459 N HA 0.120 4.860 4.740 -0.000 0.000 0.187 459 N C -0.243 175.226 175.510 -0.068 0.000 1.099 459 N CA 0.271 53.297 53.050 -0.041 0.000 0.867 459 N CB 0.780 39.215 38.487 -0.086 0.000 0.974 459 N HN 0.724 nan 8.380 nan 0.000 0.477 460 T N 0.810 115.331 114.554 -0.055 0.000 3.186 460 T HA 0.147 4.496 4.350 -0.000 0.000 0.320 460 T C -1.182 173.478 174.700 -0.067 0.000 0.955 460 T CA -0.495 61.582 62.100 -0.037 0.000 1.030 460 T CB 2.253 71.102 68.868 -0.032 0.000 1.013 460 T HN -0.103 nan 8.240 nan 0.000 0.454 461 Q N 2.168 121.874 119.800 -0.156 0.000 2.327 461 Q HA 0.659 4.999 4.340 -0.000 0.000 0.270 461 Q C 0.090 175.916 176.000 -0.290 0.000 1.022 461 Q CA -0.360 55.254 55.803 -0.315 0.000 0.773 461 Q CB 1.230 29.515 28.738 -0.755 0.000 1.251 461 Q HN 0.785 nan 8.270 nan 0.000 0.457 462 G N 1.893 110.564 108.800 -0.215 0.000 2.507 462 G HA2 0.404 4.364 3.960 -0.000 0.000 0.271 462 G HA3 0.404 4.364 3.960 -0.000 0.000 0.271 462 G C -0.581 174.161 174.900 -0.263 0.000 1.189 462 G CA -0.527 44.442 45.100 -0.217 0.000 0.859 462 G HN 0.586 nan 8.290 nan 0.000 0.542 463 V N 0.648 120.379 119.914 -0.304 0.000 2.790 463 V HA 0.012 4.132 4.120 -0.000 0.000 0.304 463 V C 0.399 176.389 176.094 -0.173 0.000 1.142 463 V CA 0.511 62.644 62.300 -0.280 0.000 1.282 463 V CB 0.400 31.980 31.823 -0.405 0.000 0.877 463 V HN 0.539 nan 8.190 nan 0.000 0.504 464 L N 7.300 128.479 121.223 -0.074 0.000 2.388 464 L HA 0.676 5.016 4.340 -0.000 0.000 0.264 464 L C -2.539 174.382 176.870 0.085 0.000 0.998 464 L CA -1.898 52.938 54.840 -0.007 0.000 0.817 464 L CB 2.439 44.495 42.059 -0.005 0.000 1.338 464 L HN 0.384 nan 8.230 nan 0.000 0.414 465 P HA 0.294 nan 4.420 nan 0.000 0.265 465 P C 0.467 177.881 177.300 0.190 0.000 1.193 465 P CA 1.037 64.222 63.100 0.141 0.000 0.765 465 P CB 0.675 32.434 31.700 0.098 0.000 0.823 466 G N 1.828 110.795 108.800 0.279 0.000 2.253 466 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.251 466 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.251 466 G C 0.342 175.494 174.900 0.420 0.000 0.998 466 G CA -0.187 45.154 45.100 0.401 0.000 0.621 466 G HN 0.455 nan 8.290 nan 0.000 0.524 467 M N 0.885 120.689 119.600 0.340 0.000 2.250 467 M HA 0.456 4.936 4.480 -0.000 0.000 0.325 467 M C 0.668 177.238 176.300 0.450 0.000 1.084 467 M CA 0.593 56.121 55.300 0.380 0.000 1.161 467 M CB 1.122 33.913 32.600 0.318 0.000 1.481 467 M HN 0.681 nan 8.290 nan 0.000 0.449 468 V N 0.226 120.409 119.914 0.447 0.000 3.012 468 V HA 0.902 5.022 4.120 -0.000 0.000 0.307 468 V C -1.579 174.748 176.094 0.389 0.000 1.166 468 V CA -0.789 61.646 62.300 0.226 0.000 0.974 468 V CB 1.573 33.355 31.823 -0.069 0.000 1.040 468 V HN 1.164 nan 8.190 nan 0.000 0.428 469 W N 1.711 123.016 121.300 0.009 0.000 2.881 469 W HA 0.836 5.496 4.660 -0.000 0.000 0.380 469 W C -1.692 174.836 176.519 0.015 0.000 1.170 469 W CA -0.751 56.606 57.345 0.019 0.000 1.171 469 W CB 1.360 30.831 29.460 0.019 0.000 1.464 469 W HN 0.725 nan 8.180 nan 0.000 0.574 470 Q N 1.683 121.586 119.800 0.172 0.000 2.306 470 Q HA 0.385 4.725 4.340 -0.000 0.000 0.265 470 Q C -0.902 175.250 176.000 0.253 0.000 1.022 470 Q CA -0.383 55.454 55.803 0.056 0.000 0.853 470 Q CB 1.628 30.374 28.738 0.013 0.000 1.327 470 Q HN 0.324 nan 8.270 nan 0.000 0.449 471 D N 1.538 122.022 120.400 0.140 0.000 2.294 471 D HA 0.236 4.876 4.640 -0.000 0.000 0.250 471 D C -0.293 176.092 176.300 0.143 0.000 1.058 471 D CA -0.421 53.705 54.000 0.210 0.000 0.950 471 D CB 0.848 41.781 40.800 0.222 0.000 1.158 471 D HN 0.433 nan 8.370 nan 0.000 0.453 472 R N 1.456 122.060 120.500 0.173 0.000 2.504 472 R HA -0.031 4.309 4.340 -0.000 0.000 0.291 472 R C 0.257 176.678 176.300 0.202 0.000 0.974 472 R CA -0.135 56.074 56.100 0.181 0.000 1.077 472 R CB 0.076 30.492 30.300 0.193 0.000 0.926 472 R HN 0.391 nan 8.270 nan 0.000 0.407 473 D N 1.348 121.852 120.400 0.173 0.000 2.278 473 D HA -0.054 4.586 4.640 -0.000 0.000 0.240 473 D C 1.153 177.438 176.300 -0.026 0.000 1.347 473 D CA 0.093 54.155 54.000 0.103 0.000 0.945 473 D CB 0.773 41.497 40.800 -0.126 0.000 1.175 473 D HN 0.249 nan 8.370 nan 0.000 0.519 474 V N -2.490 117.238 119.914 -0.309 0.000 2.908 474 V HA 0.245 4.365 4.120 -0.000 0.000 0.240 474 V C -0.144 175.960 176.094 0.017 0.000 1.117 474 V CA 0.008 62.200 62.300 -0.180 0.000 1.133 474 V CB -1.282 30.337 31.823 -0.340 0.000 0.857 474 V HN 0.668 nan 8.190 nan 0.000 0.478 475 Y N -0.650 119.753 120.300 0.173 0.000 2.611 475 Y HA -0.174 4.376 4.550 -0.000 0.000 0.032 475 Y C 0.942 176.731 175.900 -0.184 0.000 1.807 475 Y CA 0.060 58.195 58.100 0.059 0.000 1.343 475 Y CB -1.305 37.221 38.460 0.109 0.000 1.994 475 Y HN 0.239 nan 8.280 nan 0.000 0.270 476 L N 2.733 123.595 121.223 -0.602 0.000 2.064 476 L HA -0.263 4.077 4.340 -0.000 0.000 0.216 476 L C 2.075 178.698 176.870 -0.412 0.000 1.077 476 L CA 2.651 56.724 54.840 -1.279 0.000 0.766 476 L CB -0.326 40.845 42.059 -1.480 0.000 0.890 476 L HN 0.755 nan 8.230 nan 0.000 0.435 477 Q N -0.471 119.184 119.800 -0.242 0.000 2.242 477 Q HA 0.310 4.650 4.340 -0.000 0.000 0.246 477 Q C 0.457 176.507 176.000 0.083 0.000 0.883 477 Q CA 0.344 56.028 55.803 -0.199 0.000 0.984 477 Q CB -0.459 28.241 28.738 -0.064 0.000 1.096 477 Q HN 0.445 nan 8.270 nan 0.000 0.452 478 G N 1.487 110.456 108.800 0.282 0.000 2.613 478 G HA2 0.562 4.522 3.960 -0.000 0.000 0.303 478 G HA3 0.562 4.522 3.960 -0.000 0.000 0.303 478 G C -2.830 172.232 174.900 0.269 0.000 1.312 478 G CA -1.654 43.718 45.100 0.453 0.000 1.036 478 G HN 0.098 nan 8.290 nan 0.000 0.513 479 P HA 0.263 nan 4.420 nan 0.000 0.272 479 P C 0.279 177.547 177.300 -0.054 0.000 1.240 479 P CA -0.140 62.952 63.100 -0.014 0.000 0.791 479 P CB 1.119 32.826 31.700 0.012 0.000 0.978 480 I N -1.657 118.768 120.570 -0.242 0.000 3.718 480 I HA 0.241 4.411 4.170 -0.000 0.000 0.297 480 I C 0.308 176.686 176.117 0.435 0.000 1.220 480 I CA 0.377 61.536 61.300 -0.235 0.000 1.381 480 I CB 0.052 37.954 38.000 -0.163 0.000 1.238 480 I HN 0.496 nan 8.210 nan 0.000 0.448 481 W N 0.740 122.146 121.300 0.176 0.000 2.871 481 W HA 0.781 5.441 4.660 0.000 0.000 0.416 481 W C -1.911 174.727 176.519 0.199 0.000 1.108 481 W CA -1.100 56.400 57.345 0.258 0.000 1.179 481 W CB 0.723 30.360 29.460 0.295 0.000 1.479 481 W HN -0.156 nan 8.180 nan 0.000 0.598 482 A N 1.234 124.454 122.820 0.666 0.000 2.594 482 A HA 0.539 4.859 4.320 -0.000 0.000 0.296 482 A C -1.702 176.115 177.584 0.388 0.000 1.056 482 A CA -1.018 51.280 52.037 0.434 0.000 0.693 482 A CB 1.428 20.553 19.000 0.208 0.000 1.278 482 A HN 0.816 nan 8.150 nan 0.000 0.408 483 K N 1.650 122.215 120.400 0.275 0.000 2.339 483 K HA 0.500 4.819 4.320 -0.000 0.000 0.286 483 K C -0.861 175.716 176.600 -0.038 0.000 1.050 483 K CA -0.291 55.983 56.287 -0.021 0.000 0.956 483 K CB 0.166 32.445 32.500 -0.369 0.000 0.990 483 K HN 0.463 nan 8.250 nan 0.000 0.475 484 I N 7.909 128.405 120.570 -0.124 0.000 2.517 484 I HA 0.101 4.271 4.170 -0.000 0.000 0.285 484 I C -2.007 174.012 176.117 -0.164 0.000 1.106 484 I CA -1.998 59.192 61.300 -0.183 0.000 1.402 484 I CB 0.717 38.505 38.000 -0.353 0.000 1.399 484 I HN 0.636 nan 8.210 nan 0.000 0.535 485 P HA -0.060 nan 4.420 nan 0.000 0.266 485 P C -0.724 176.627 177.300 0.086 0.000 1.195 485 P CA 0.008 63.124 63.100 0.026 0.000 0.768 485 P CB 0.249 31.988 31.700 0.066 0.000 0.838 486 H N 2.624 121.706 119.070 0.020 0.000 3.205 486 H HA 0.304 4.860 4.556 -0.000 0.000 0.262 486 H C -0.219 175.171 175.328 0.103 0.000 1.333 486 H CA 0.355 56.438 56.048 0.058 0.000 1.499 486 H CB -0.799 28.971 29.762 0.014 0.000 1.609 486 H HN 0.288 nan 8.280 nan 0.000 0.498 487 T N 0.424 114.952 114.554 -0.043 0.000 2.901 487 T HA 0.141 4.491 4.350 -0.000 0.000 0.293 487 T C 0.728 175.264 174.700 -0.273 0.000 1.084 487 T CA -1.024 60.998 62.100 -0.129 0.000 1.008 487 T CB 1.317 70.182 68.868 -0.004 0.000 1.170 487 T HN 0.201 nan 8.240 nan 0.000 0.509 488 D N 0.680 120.950 120.400 -0.216 0.000 2.309 488 D HA 0.222 4.862 4.640 -0.000 0.000 0.212 488 D C 0.861 176.995 176.300 -0.277 0.000 0.968 488 D CA 1.425 55.297 54.000 -0.214 0.000 0.882 488 D CB -0.199 40.525 40.800 -0.128 0.000 0.918 488 D HN 0.921 nan 8.370 nan 0.000 0.503 489 G N -0.693 107.905 108.800 -0.338 0.000 2.752 489 G HA2 0.410 4.370 3.960 -0.000 0.000 0.298 489 G HA3 0.410 4.370 3.960 -0.000 0.000 0.298 489 G C -1.412 173.308 174.900 -0.300 0.000 1.434 489 G CA -0.803 44.075 45.100 -0.371 0.000 1.004 489 G HN 0.013 nan 8.290 nan 0.000 0.560 490 H N 0.668 119.765 119.070 0.045 0.000 2.797 490 H HA 0.688 5.244 4.556 -0.000 0.000 0.372 490 H C -1.689 173.741 175.328 0.170 0.000 1.168 490 H CA -1.245 54.850 56.048 0.077 0.000 1.163 490 H CB 2.595 32.374 29.762 0.027 0.000 1.778 490 H HN 0.452 nan 8.280 nan 0.000 0.551 491 F N 2.397 122.462 119.950 0.191 0.000 2.553 491 F HA 0.216 4.743 4.527 -0.000 0.000 0.335 491 F C 0.017 175.970 175.800 0.256 0.000 1.148 491 F CA -0.376 57.727 58.000 0.172 0.000 0.963 491 F CB 0.524 39.586 39.000 0.103 0.000 1.217 491 F HN 0.747 nan 8.300 nan 0.000 0.441 492 H N 6.548 125.165 119.070 -0.755 0.000 2.630 492 H HA -0.112 4.444 4.556 -0.000 0.000 0.301 492 H C -2.086 173.164 175.328 -0.129 0.000 0.887 492 H CA 0.466 56.217 56.048 -0.496 0.000 0.977 492 H CB -0.090 29.257 29.762 -0.691 0.000 1.596 492 H HN 0.568 nan 8.280 nan 0.000 0.320 493 P HA 0.007 nan 4.420 nan 0.000 0.252 493 P C 0.259 177.586 177.300 0.044 0.000 1.265 493 P CA 0.359 63.458 63.100 -0.002 0.000 0.775 493 P CB 0.218 31.863 31.700 -0.091 0.000 1.128 494 S N 1.949 117.699 115.700 0.084 0.000 2.546 494 S HA 0.105 4.575 4.470 -0.000 0.000 0.290 494 S C -2.125 172.569 174.600 0.157 0.000 1.262 494 S CA -0.999 57.279 58.200 0.130 0.000 1.083 494 S CB -0.383 62.944 63.200 0.211 0.000 0.859 494 S HN 0.023 nan 8.310 nan 0.000 0.495 495 P HA 0.027 nan 4.420 nan 0.000 0.264 495 P C 0.740 178.118 177.300 0.129 0.000 1.183 495 P CA -0.097 63.080 63.100 0.129 0.000 0.763 495 P CB 0.445 32.230 31.700 0.141 0.000 0.807 496 L N 2.585 123.875 121.223 0.112 0.000 2.131 496 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 496 L C 2.150 179.077 176.870 0.095 0.000 1.092 496 L CA 1.725 56.626 54.840 0.101 0.000 0.759 496 L CB -0.363 41.744 42.059 0.079 0.000 0.903 496 L HN 0.472 nan 8.230 nan 0.000 0.435 497 M N -0.890 118.760 119.600 0.083 0.000 2.659 497 M HA 0.113 4.593 4.480 -0.000 0.000 0.243 497 M C 0.682 177.054 176.300 0.120 0.000 1.111 497 M CA 0.544 55.888 55.300 0.073 0.000 1.070 497 M CB -0.370 32.252 32.600 0.036 0.000 1.525 497 M HN 0.350 nan 8.290 nan 0.000 0.517 498 G N -0.085 108.796 108.800 0.135 0.000 2.705 498 G HA2 0.208 4.168 3.960 -0.000 0.000 0.686 498 G HA3 0.208 4.168 3.960 -0.000 0.000 0.686 498 G C -0.279 174.708 174.900 0.145 0.000 1.285 498 G CA -0.581 44.610 45.100 0.152 0.000 0.800 498 G HN 0.831 nan 8.290 nan 0.000 0.611 499 G N -0.684 108.168 108.800 0.087 0.000 2.331 499 G HA2 0.479 4.439 3.960 -0.000 0.000 0.479 499 G HA3 0.479 4.439 3.960 -0.000 0.000 0.479 499 G C -0.658 174.245 174.900 0.005 0.000 1.262 499 G CA -0.109 45.049 45.100 0.096 0.000 1.029 499 G HN 1.601 nan 8.290 nan 0.000 0.487 500 F N 1.395 121.516 119.950 0.284 0.000 2.415 500 F HA 0.574 5.101 4.527 -0.000 0.000 0.348 500 F C 1.172 177.108 175.800 0.227 0.000 1.119 500 F CA 0.249 58.391 58.000 0.236 0.000 1.069 500 F CB 2.127 41.272 39.000 0.243 0.000 1.124 500 F HN 0.710 nan 8.300 nan 0.000 0.472 501 G N 5.042 114.028 108.800 0.311 0.000 2.356 501 G HA2 0.530 4.490 3.960 -0.000 0.000 0.300 501 G HA3 0.530 4.490 3.960 -0.000 0.000 0.300 501 G C -0.854 174.133 174.900 0.144 0.000 1.107 501 G CA -0.425 44.787 45.100 0.187 0.000 0.960 501 G HN 0.543 nan 8.290 nan 0.000 0.418 502 L N 2.197 123.501 121.223 0.135 0.000 2.317 502 L HA 0.410 4.750 4.340 -0.000 0.000 0.281 502 L C 1.321 178.118 176.870 -0.123 0.000 1.024 502 L CA -0.983 53.877 54.840 0.033 0.000 0.810 502 L CB 2.101 44.192 42.059 0.052 0.000 1.240 502 L HN 0.490 nan 8.230 nan 0.000 0.427 503 K N 0.898 121.162 120.400 -0.227 0.000 2.031 503 K HA 0.018 4.338 4.320 -0.000 0.000 0.205 503 K C 0.389 176.588 176.600 -0.669 0.000 1.049 503 K CA 1.396 57.406 56.287 -0.462 0.000 0.939 503 K CB 0.269 32.435 32.500 -0.555 0.000 0.717 503 K HN 0.488 nan 8.250 nan 0.000 0.438 504 H N 0.555 119.447 119.070 -0.298 0.000 2.645 504 H HA 0.332 4.888 4.556 -0.000 0.000 0.257 504 H C -2.433 172.846 175.328 -0.081 0.000 1.269 504 H CA -2.610 53.152 56.048 -0.477 0.000 1.409 504 H CB 0.883 30.439 29.762 -0.344 0.000 1.434 504 H HN 0.160 nan 8.280 nan 0.000 0.505 505 P HA 0.152 nan 4.420 nan 0.000 0.277 505 P C -2.601 174.759 177.300 0.099 0.000 1.271 505 P CA -1.941 61.144 63.100 -0.024 0.000 0.795 505 P CB -0.099 31.602 31.700 0.001 0.000 1.101 506 P HA 0.014 nan 4.420 nan 0.000 0.256 506 P C -2.016 175.360 177.300 0.126 0.000 1.173 506 P CA -0.284 62.494 63.100 -0.537 0.000 0.768 506 P CB -1.181 30.130 31.700 -0.649 0.000 0.758 507 P HA -0.094 nan 4.420 nan 0.000 0.266 507 P C -0.369 176.916 177.300 -0.024 0.000 1.193 507 P CA 0.304 63.348 63.100 -0.092 0.000 0.770 507 P CB 0.694 32.165 31.700 -0.381 0.000 0.836 508 Q N 1.785 121.543 119.800 -0.070 0.000 2.300 508 Q HA 0.140 4.480 4.340 -0.000 0.000 0.280 508 Q C -0.129 175.706 176.000 -0.276 0.000 1.033 508 Q CA 0.253 55.942 55.803 -0.190 0.000 0.903 508 Q CB 0.034 28.576 28.738 -0.326 0.000 1.195 508 Q HN 0.394 nan 8.270 nan 0.000 0.386 509 I N 3.641 124.123 120.570 -0.147 0.000 2.339 509 I HA 0.230 4.400 4.170 -0.000 0.000 0.290 509 I C -0.552 175.495 176.117 -0.117 0.000 0.994 509 I CA -0.174 61.029 61.300 -0.162 0.000 1.191 509 I CB 0.980 38.974 38.000 -0.011 0.000 1.343 509 I HN 0.357 nan 8.210 nan 0.000 0.458 510 L N 7.104 128.082 121.223 -0.409 0.000 2.322 510 L HA 0.703 5.043 4.340 -0.000 0.000 0.269 510 L C -0.533 176.413 176.870 0.128 0.000 1.012 510 L CA -0.546 54.162 54.840 -0.221 0.000 0.815 510 L CB 1.890 43.533 42.059 -0.692 0.000 1.295 510 L HN 0.494 nan 8.230 nan 0.000 0.438 511 I N 1.365 122.129 120.570 0.324 0.000 2.722 511 I HA 0.473 4.643 4.170 -0.000 0.000 0.292 511 I C -1.443 174.619 176.117 -0.092 0.000 1.267 511 I CA -0.313 61.089 61.300 0.170 0.000 1.036 511 I CB 1.664 39.736 38.000 0.121 0.000 1.281 511 I HN 0.704 nan 8.210 nan 0.000 0.423 512 K N 5.831 125.975 120.400 -0.427 0.000 2.509 512 K HA 0.488 4.808 4.320 -0.000 0.000 0.266 512 K C -1.754 174.645 176.600 -0.336 0.000 0.987 512 K CA -0.805 55.108 56.287 -0.622 0.000 0.868 512 K CB 2.124 33.684 32.500 -1.566 0.000 1.421 512 K HN 0.690 nan 8.250 nan 0.000 0.444 513 N N 2.219 120.784 118.700 -0.225 0.000 2.501 513 N HA 0.127 4.867 4.740 -0.000 0.000 0.245 513 N C -1.091 174.368 175.510 -0.084 0.000 0.974 513 N CA -0.487 52.504 53.050 -0.098 0.000 0.941 513 N CB 1.451 39.920 38.487 -0.031 0.000 1.122 513 N HN 0.566 nan 8.380 nan 0.000 0.507 514 T N 1.678 116.181 114.554 -0.084 0.000 2.819 514 T HA -0.003 4.347 4.350 -0.000 0.000 0.282 514 T C -2.153 172.499 174.700 -0.081 0.000 1.013 514 T CA -0.652 61.408 62.100 -0.066 0.000 1.159 514 T CB -0.158 68.694 68.868 -0.027 0.000 1.007 514 T HN 0.275 nan 8.240 nan 0.000 0.514 515 P HA 0.213 nan 4.420 nan 0.000 0.269 515 P C -0.653 176.596 177.300 -0.086 0.000 1.217 515 P CA -0.407 62.476 63.100 -0.361 0.000 0.783 515 P CB 0.451 31.776 31.700 -0.625 0.000 0.898 516 V N 3.804 123.737 119.914 0.032 0.000 2.315 516 V HA 0.216 4.336 4.120 -0.000 0.000 0.265 516 V C -2.285 173.865 176.094 0.093 0.000 1.019 516 V CA -1.852 60.486 62.300 0.062 0.000 0.824 516 V CB 1.018 32.865 31.823 0.039 0.000 1.072 516 V HN 0.506 nan 8.190 nan 0.000 0.448 517 P HA 0.038 nan 4.420 nan 0.000 0.255 517 P C 0.086 177.232 177.300 -0.256 0.000 1.173 517 P CA 0.723 63.468 63.100 -0.591 0.000 0.780 517 P CB 0.358 31.304 31.700 -1.257 0.000 0.758 518 A N 4.270 127.044 122.820 -0.077 0.000 2.354 518 A HA 0.261 4.581 4.320 -0.000 0.000 0.269 518 A C 0.561 178.198 177.584 0.088 0.000 1.109 518 A CA -0.501 51.554 52.037 0.031 0.000 0.800 518 A CB -0.380 18.666 19.000 0.076 0.000 1.045 518 A HN 0.614 nan 8.150 nan 0.000 0.489 519 N N 1.649 120.387 118.700 0.062 0.000 1.368 519 N HA -0.110 4.630 4.740 -0.000 0.000 0.392 519 N C -2.214 173.374 175.510 0.130 0.000 1.170 519 N CA 0.455 53.551 53.050 0.077 0.000 0.768 519 N CB -0.077 38.438 38.487 0.046 0.000 0.970 519 N HN 0.480 nan 8.380 nan 0.000 0.550 520 P HA 0.258 nan 4.420 nan 0.000 0.285 520 P C -0.878 176.457 177.300 0.058 0.000 1.269 520 P CA -0.808 62.403 63.100 0.185 0.000 0.844 520 P CB 1.321 33.219 31.700 0.329 0.000 1.094 521 S N -0.422 115.272 115.700 -0.010 0.000 2.584 521 S HA 0.153 4.623 4.470 -0.000 0.000 0.273 521 S C 1.100 175.710 174.600 0.017 0.000 1.311 521 S CA -0.022 58.169 58.200 -0.015 0.000 1.034 521 S CB -0.104 63.060 63.200 -0.059 0.000 0.939 521 S HN 0.450 nan 8.310 nan 0.000 0.513 522 T N 1.381 115.949 114.554 0.023 0.000 2.720 522 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 522 T C 1.146 175.879 174.700 0.054 0.000 1.037 522 T CA 1.866 63.989 62.100 0.038 0.000 1.144 522 T CB -0.690 68.195 68.868 0.028 0.000 0.864 522 T HN 0.821 nan 8.240 nan 0.000 0.444 523 T N 1.527 116.105 114.554 0.039 0.000 2.817 523 T HA 0.392 4.742 4.350 -0.000 0.000 0.293 523 T C -0.325 174.422 174.700 0.078 0.000 0.964 523 T CA -0.978 61.160 62.100 0.064 0.000 1.085 523 T CB -0.239 68.652 68.868 0.037 0.000 0.921 523 T HN 0.172 nan 8.240 nan 0.000 0.502 524 F N 4.566 124.512 119.950 -0.006 0.000 2.628 524 F HA 0.385 4.912 4.527 -0.000 0.000 0.362 524 F C 0.524 176.312 175.800 -0.021 0.000 1.148 524 F CA 0.715 58.711 58.000 -0.007 0.000 1.352 524 F CB 0.435 39.436 39.000 0.002 0.000 1.081 524 F HN 0.562 nan 8.300 nan 0.000 0.605 525 S N 3.688 118.588 115.700 -1.333 0.000 2.562 525 S HA 0.642 5.112 4.470 -0.000 0.000 0.274 525 S C -0.271 173.569 174.600 -1.267 0.000 1.160 525 S CA -0.258 57.350 58.200 -0.986 0.000 0.933 525 S CB 1.101 64.005 63.200 -0.493 0.000 1.100 525 S HN 1.088 nan 8.310 nan 0.000 0.468 526 A N 3.158 125.515 122.820 -0.771 0.000 2.370 526 A HA 0.707 5.027 4.320 -0.000 0.000 0.238 526 A C 1.019 178.501 177.584 -0.171 0.000 1.289 526 A CA 0.364 52.196 52.037 -0.341 0.000 0.885 526 A CB -0.767 18.263 19.000 0.050 0.000 0.961 526 A HN 1.264 nan 8.150 nan 0.000 0.499 527 A N 0.197 122.879 122.820 -0.229 0.000 2.313 527 A HA 0.467 4.787 4.320 -0.000 0.000 0.261 527 A C 0.537 178.059 177.584 -0.104 0.000 1.090 527 A CA -0.403 51.550 52.037 -0.140 0.000 0.807 527 A CB 0.132 19.034 19.000 -0.163 0.000 1.055 527 A HN 0.467 nan 8.150 nan 0.000 0.492 528 K N 0.305 120.686 120.400 -0.031 0.000 2.382 528 K HA 0.172 4.492 4.320 -0.000 0.000 0.275 528 K C -0.983 175.616 176.600 -0.001 0.000 1.009 528 K CA -0.047 56.269 56.287 0.048 0.000 0.970 528 K CB 0.127 32.687 32.500 0.100 0.000 0.934 528 K HN 0.446 nan 8.250 nan 0.000 0.479 529 F N 2.712 122.643 119.950 -0.032 0.000 2.538 529 F HA 0.162 4.689 4.527 -0.000 0.000 0.371 529 F C 0.818 176.523 175.800 -0.159 0.000 1.087 529 F CA 0.865 58.764 58.000 -0.169 0.000 1.250 529 F CB 1.214 40.052 39.000 -0.269 0.000 1.110 529 F HN 0.728 nan 8.300 nan 0.000 0.570 530 A N 2.129 124.868 122.820 -0.135 0.000 2.427 530 A HA 0.193 4.513 4.320 -0.000 0.000 0.225 530 A C 0.140 177.754 177.584 0.050 0.000 1.257 530 A CA 0.202 52.278 52.037 0.065 0.000 0.985 530 A CB -0.169 18.857 19.000 0.042 0.000 1.136 530 A HN 0.494 nan 8.150 nan 0.000 0.538 531 S N 1.095 116.706 115.700 -0.149 0.000 2.512 531 S HA 0.723 5.193 4.470 -0.000 0.000 0.291 531 S C -0.775 173.778 174.600 -0.078 0.000 1.151 531 S CA -0.540 57.654 58.200 -0.010 0.000 1.120 531 S CB -0.461 62.739 63.200 0.001 0.000 1.029 531 S HN 0.157 nan 8.310 nan 0.000 0.485 532 F N 1.030 121.083 119.950 0.172 0.000 2.497 532 F HA 0.539 5.066 4.527 -0.000 0.000 0.331 532 F C 0.778 176.630 175.800 0.087 0.000 1.060 532 F CA -2.068 55.987 58.000 0.092 0.000 0.989 532 F CB 0.406 39.422 39.000 0.027 0.000 1.245 532 F HN 0.270 nan 8.300 nan 0.000 0.486 533 I N 1.364 122.100 120.570 0.277 0.000 2.618 533 I HA -0.010 4.160 4.170 -0.000 0.000 0.284 533 I C 0.387 176.611 176.117 0.179 0.000 1.146 533 I CA 0.337 61.735 61.300 0.164 0.000 1.425 533 I CB 0.312 38.372 38.000 0.099 0.000 1.383 533 I HN 0.541 nan 8.210 nan 0.000 0.562 534 T N 8.441 123.073 114.554 0.130 0.000 2.761 534 T HA 0.382 4.732 4.350 -0.000 0.000 0.296 534 T C 0.064 174.814 174.700 0.083 0.000 0.934 534 T CA -0.375 61.791 62.100 0.109 0.000 1.091 534 T CB 0.423 69.342 68.868 0.085 0.000 0.896 534 T HN 0.681 nan 8.240 nan 0.000 0.515 535 Q N 2.254 122.102 119.800 0.081 0.000 2.594 535 Q HA 0.552 4.892 4.340 -0.000 0.000 0.278 535 Q C -1.825 174.217 176.000 0.071 0.000 0.961 535 Q CA -1.224 54.603 55.803 0.040 0.000 0.844 535 Q CB 1.227 29.949 28.738 -0.027 0.000 1.475 535 Q HN 0.692 nan 8.270 nan 0.000 0.389 536 Y N -1.157 119.110 120.300 -0.055 0.000 2.705 536 Y HA 0.893 5.443 4.550 -0.000 0.000 0.332 536 Y C -0.816 175.054 175.900 -0.051 0.000 1.157 536 Y CA -0.459 57.595 58.100 -0.076 0.000 1.091 536 Y CB 1.533 39.929 38.460 -0.106 0.000 1.301 536 Y HN 0.954 nan 8.280 nan 0.000 0.488 537 S N -0.075 115.710 115.700 0.142 0.000 2.751 537 S HA 0.893 5.363 4.470 -0.000 0.000 0.310 537 S C -0.617 174.040 174.600 0.095 0.000 1.128 537 S CA 0.004 58.225 58.200 0.035 0.000 0.931 537 S CB 1.858 65.149 63.200 0.151 0.000 1.177 537 S HN 1.316 nan 8.310 nan 0.000 0.530 538 T N -1.798 112.630 114.554 -0.211 0.000 2.658 538 T HA 0.699 5.049 4.350 -0.000 0.000 0.305 538 T C -0.454 173.544 174.700 -1.169 0.000 1.551 538 T CA 0.358 62.025 62.100 -0.723 0.000 0.985 538 T CB 0.644 69.304 68.868 -0.347 0.000 1.731 538 T HN 2.500 nan 8.240 nan 0.000 0.486 539 G N 0.916 108.879 108.800 -1.395 0.000 2.351 539 G HA2 0.397 4.357 3.960 -0.000 0.000 0.353 539 G HA3 0.397 4.357 3.960 -0.000 0.000 0.353 539 G C -1.816 172.384 174.900 -1.166 0.000 1.358 539 G CA -0.128 44.415 45.100 -0.928 0.000 0.995 539 G HN 0.867 nan 8.290 nan 0.000 0.611 540 Q N -0.943 118.513 119.800 -0.573 0.000 2.241 540 Q HA 0.819 5.158 4.340 -0.000 0.000 0.262 540 Q C -0.817 175.005 176.000 -0.295 0.000 1.014 540 Q CA -1.131 54.431 55.803 -0.402 0.000 0.885 540 Q CB 2.617 31.093 28.738 -0.436 0.000 1.311 540 Q HN 1.358 nan 8.270 nan 0.000 0.461 541 V N -0.181 119.673 119.914 -0.100 0.000 2.876 541 V HA 0.683 4.803 4.120 -0.000 0.000 0.312 541 V C -1.411 174.487 176.094 -0.327 0.000 1.085 541 V CA -0.376 61.737 62.300 -0.312 0.000 0.945 541 V CB 2.285 33.910 31.823 -0.330 0.000 1.017 541 V HN 0.934 nan 8.190 nan 0.000 0.428 542 S N 4.022 119.492 115.700 -0.383 0.000 2.547 542 S HA 0.865 5.335 4.470 -0.000 0.000 0.281 542 S C -1.610 172.696 174.600 -0.489 0.000 1.118 542 S CA -0.450 57.557 58.200 -0.322 0.000 0.947 542 S CB 1.727 64.903 63.200 -0.040 0.000 1.053 542 S HN 0.951 nan 8.310 nan 0.000 0.482 543 V N 4.218 123.891 119.914 -0.402 0.000 2.569 543 V HA 0.588 4.707 4.120 -0.000 0.000 0.301 543 V C -0.488 175.464 176.094 -0.236 0.000 1.044 543 V CA -0.698 61.359 62.300 -0.405 0.000 0.874 543 V CB 1.458 32.918 31.823 -0.606 0.000 1.002 543 V HN 0.926 nan 8.190 nan 0.000 0.424 544 E N 5.170 125.249 120.200 -0.202 0.000 2.222 544 E HA 0.799 5.149 4.350 -0.000 0.000 0.267 544 E C -1.756 174.770 176.600 -0.123 0.000 0.884 544 E CA -0.702 55.622 56.400 -0.125 0.000 0.764 544 E CB 2.307 31.920 29.700 -0.146 0.000 1.169 544 E HN 0.693 nan 8.360 nan 0.000 0.413 545 I N 2.800 123.312 120.570 -0.096 0.000 2.686 545 I HA 0.239 4.409 4.170 -0.000 0.000 0.295 545 I C -0.836 175.101 176.117 -0.299 0.000 1.114 545 I CA -0.868 60.285 61.300 -0.245 0.000 1.038 545 I CB 2.309 40.048 38.000 -0.434 0.000 1.238 545 I HN 0.634 nan 8.210 nan 0.000 0.420 546 E N 5.537 125.517 120.200 -0.367 0.000 2.133 546 E HA 0.383 4.733 4.350 -0.000 0.000 0.274 546 E C -1.971 174.421 176.600 -0.346 0.000 0.930 546 E CA -0.500 55.771 56.400 -0.216 0.000 0.770 546 E CB 0.940 30.582 29.700 -0.096 0.000 1.104 546 E HN 0.372 nan 8.360 nan 0.000 0.403 547 W N 2.733 124.006 121.300 -0.044 0.000 2.606 547 W HA 0.390 5.050 4.660 -0.000 0.000 0.332 547 W C 0.172 176.710 176.519 0.031 0.000 1.052 547 W CA -0.825 56.530 57.345 0.016 0.000 1.223 547 W CB 1.112 30.632 29.460 0.100 0.000 1.383 547 W HN 0.527 nan 8.180 nan 0.000 0.524 548 E N 1.815 122.210 120.200 0.326 0.000 2.250 548 E HA 0.739 5.089 4.350 -0.000 0.000 0.265 548 E C -1.211 175.445 176.600 0.093 0.000 1.033 548 E CA -0.543 55.989 56.400 0.220 0.000 0.888 548 E CB 1.068 30.946 29.700 0.296 0.000 1.151 548 E HN 0.502 nan 8.360 nan 0.000 0.412 549 L N 1.340 122.546 121.223 -0.029 0.000 2.376 549 L HA 0.413 4.753 4.340 -0.000 0.000 0.258 549 L C -0.768 175.958 176.870 -0.239 0.000 1.013 549 L CA -0.858 53.884 54.840 -0.163 0.000 0.822 549 L CB 2.088 44.151 42.059 0.005 0.000 1.388 549 L HN 0.511 nan 8.230 nan 0.000 0.413 550 Q N 2.170 121.817 119.800 -0.254 0.000 2.339 550 Q HA 0.384 4.724 4.340 -0.000 0.000 0.268 550 Q C -1.278 174.772 176.000 0.082 0.000 1.027 550 Q CA -0.692 55.116 55.803 0.008 0.000 0.759 550 Q CB 1.464 30.269 28.738 0.113 0.000 1.244 550 Q HN 0.450 nan 8.270 nan 0.000 0.464 551 K N 2.190 122.626 120.400 0.060 0.000 2.168 551 K HA 0.113 4.432 4.320 -0.000 0.000 0.258 551 K C 0.212 176.710 176.600 -0.170 0.000 1.010 551 K CA -0.458 55.802 56.287 -0.045 0.000 0.929 551 K CB 0.888 33.355 32.500 -0.056 0.000 0.998 551 K HN 0.642 nan 8.250 nan 0.000 0.479 552 E N 1.093 120.987 120.200 -0.510 0.000 2.451 552 E HA -0.137 4.213 4.350 -0.000 0.000 0.256 552 E C -0.314 175.889 176.600 -0.662 0.000 1.294 552 E CA 0.380 56.032 56.400 -1.246 0.000 1.005 552 E CB 0.342 29.392 29.700 -1.084 0.000 0.990 552 E HN 0.639 nan 8.360 nan 0.000 0.505 553 N N 0.272 118.646 118.700 -0.544 0.000 3.660 553 N HA -0.042 4.698 4.740 -0.000 0.000 0.128 553 N C -2.129 173.440 175.510 0.100 0.000 1.022 553 N CA 0.354 53.360 53.050 -0.074 0.000 2.474 553 N CB -0.461 38.077 38.487 0.084 0.000 1.518 553 N HN 0.350 nan 8.380 nan 0.000 0.750 554 S N -0.149 115.570 115.700 0.033 0.000 2.532 554 S HA 0.517 4.987 4.470 -0.000 0.000 0.301 554 S C 0.579 175.226 174.600 0.077 0.000 1.083 554 S CA -0.757 57.532 58.200 0.147 0.000 1.025 554 S CB 1.961 65.317 63.200 0.260 0.000 1.056 554 S HN 0.117 nan 8.310 nan 0.000 0.494 555 K N 1.043 121.504 120.400 0.102 0.000 2.522 555 K HA 0.074 4.394 4.320 -0.000 0.000 0.194 555 K C 0.702 177.386 176.600 0.140 0.000 1.026 555 K CA -0.096 56.254 56.287 0.104 0.000 1.119 555 K CB -0.306 32.257 32.500 0.105 0.000 0.856 555 K HN 0.718 nan 8.250 nan 0.000 0.513 556 R N 1.052 121.628 120.500 0.127 0.000 2.488 556 R HA -0.150 4.190 4.340 -0.000 0.000 0.317 556 R C 1.094 177.493 176.300 0.166 0.000 0.941 556 R CA 0.113 56.301 56.100 0.147 0.000 1.076 556 R CB 0.029 30.402 30.300 0.121 0.000 0.917 556 R HN 0.271 nan 8.270 nan 0.000 0.407 557 W N 6.217 127.529 121.300 0.020 0.000 2.418 557 W HA -0.142 4.518 4.660 -0.000 0.000 0.319 557 W C 0.151 176.675 176.519 0.007 0.000 1.183 557 W CA 1.322 58.673 57.345 0.010 0.000 1.327 557 W CB -0.310 29.157 29.460 0.011 0.000 1.163 557 W HN 0.706 nan 8.180 nan 0.000 0.479 558 N N 2.344 121.218 118.700 0.289 0.000 2.441 558 N HA 0.012 4.752 4.740 -0.000 0.000 0.251 558 N C -2.657 172.867 175.510 0.023 0.000 1.242 558 N CA -0.774 52.361 53.050 0.143 0.000 0.898 558 N CB -0.498 38.105 38.487 0.193 0.000 1.100 558 N HN -0.085 nan 8.380 nan 0.000 0.443 559 P HA -0.036 nan 4.420 nan 0.000 0.264 559 P C 0.118 177.422 177.300 0.007 0.000 1.179 559 P CA 0.541 63.620 63.100 -0.033 0.000 0.763 559 P CB 0.487 32.166 31.700 -0.034 0.000 0.806 560 E N 1.763 121.963 120.200 -0.001 0.000 2.359 560 E HA 0.325 4.674 4.350 -0.000 0.000 0.255 560 E C 0.357 176.988 176.600 0.051 0.000 1.191 560 E CA -0.775 55.648 56.400 0.038 0.000 0.952 560 E CB 0.912 30.626 29.700 0.023 0.000 1.152 560 E HN 0.359 nan 8.360 nan 0.000 0.496 561 I N 1.188 121.817 120.570 0.099 0.000 2.499 561 I HA 0.070 4.240 4.170 -0.000 0.000 0.296 561 I C 0.276 176.493 176.117 0.166 0.000 0.992 561 I CA -0.248 61.131 61.300 0.133 0.000 1.297 561 I CB 0.890 38.994 38.000 0.173 0.000 1.410 561 I HN 0.145 nan 8.210 nan 0.000 0.507 562 Q N 4.188 124.062 119.800 0.124 0.000 2.484 562 Q HA 0.290 4.630 4.340 -0.000 0.000 0.285 562 Q C -1.409 174.558 176.000 -0.056 0.000 1.097 562 Q CA -0.796 55.018 55.803 0.017 0.000 0.802 562 Q CB 2.769 31.473 28.738 -0.056 0.000 1.444 562 Q HN 0.527 nan 8.270 nan 0.000 0.429 563 Y N 0.401 120.416 120.300 -0.474 0.000 2.327 563 Y HA 0.392 4.942 4.550 -0.000 0.000 0.336 563 Y C -0.643 175.141 175.900 -0.193 0.000 1.035 563 Y CA 0.417 58.253 58.100 -0.440 0.000 1.165 563 Y CB 1.077 39.025 38.460 -0.853 0.000 1.181 563 Y HN 0.405 nan 8.280 nan 0.000 0.494 564 T N 3.931 118.090 114.554 -0.658 0.000 2.926 564 T HA 0.473 4.822 4.350 -0.000 0.000 0.289 564 T C -1.076 173.348 174.700 -0.460 0.000 1.054 564 T CA -0.871 61.001 62.100 -0.381 0.000 1.015 564 T CB 1.168 69.916 68.868 -0.200 0.000 1.167 564 T HN 0.626 nan 8.240 nan 0.000 0.526 565 S N 2.167 117.776 115.700 -0.152 0.000 2.475 565 S HA 0.444 4.914 4.470 -0.000 0.000 0.298 565 S C -0.148 174.447 174.600 -0.007 0.000 1.119 565 S CA -1.212 56.963 58.200 -0.043 0.000 1.085 565 S CB 0.459 63.710 63.200 0.085 0.000 1.028 565 S HN 0.654 nan 8.310 nan 0.000 0.489 566 N N 1.718 120.425 118.700 0.011 0.000 2.293 566 N HA -0.115 4.625 4.740 -0.000 0.000 0.253 566 N C 0.321 175.895 175.510 0.106 0.000 1.248 566 N CA 0.035 53.112 53.050 0.044 0.000 0.845 566 N CB 0.085 38.587 38.487 0.024 0.000 1.073 566 N HN 0.809 nan 8.380 nan 0.000 0.464 567 Y N 3.223 123.511 120.300 -0.020 0.000 2.184 567 Y HA -0.067 4.483 4.550 -0.000 0.000 0.290 567 Y C 0.476 176.371 175.900 -0.008 0.000 1.129 567 Y CA 0.680 58.772 58.100 -0.014 0.000 1.144 567 Y CB -0.198 38.252 38.460 -0.017 0.000 0.995 567 Y HN 0.440 nan 8.280 nan 0.000 0.513 568 N N 3.144 121.687 118.700 -0.262 0.000 2.292 568 N HA -0.118 4.622 4.740 -0.000 0.000 0.242 568 N C -0.116 175.245 175.510 -0.248 0.000 1.243 568 N CA 0.561 53.388 53.050 -0.371 0.000 0.851 568 N CB 0.353 38.738 38.487 -0.170 0.000 1.093 568 N HN 0.448 nan 8.380 nan 0.000 0.450 569 K N -0.296 119.955 120.400 -0.249 0.000 2.440 569 K HA 0.158 4.478 4.320 -0.000 0.000 0.270 569 K C -0.369 176.175 176.600 -0.095 0.000 0.980 569 K CA -0.267 55.931 56.287 -0.149 0.000 0.953 569 K CB 0.361 32.785 32.500 -0.127 0.000 0.925 569 K HN 0.672 nan 8.250 nan 0.000 0.497 570 S N 0.336 115.996 115.700 -0.066 0.000 2.550 570 S HA 0.167 4.637 4.470 -0.000 0.000 0.270 570 S C 0.417 174.991 174.600 -0.042 0.000 1.145 570 S CA -1.035 57.135 58.200 -0.050 0.000 0.852 570 S CB 1.511 64.686 63.200 -0.042 0.000 1.119 570 S HN 0.331 nan 8.310 nan 0.000 0.465 571 V N 1.403 121.292 119.914 -0.041 0.000 2.759 571 V HA 0.010 4.130 4.120 -0.000 0.000 0.256 571 V C 0.381 176.453 176.094 -0.037 0.000 1.080 571 V CA 1.506 63.784 62.300 -0.037 0.000 1.101 571 V CB -1.212 30.588 31.823 -0.038 0.000 0.698 571 V HN 0.840 nan 8.190 nan 0.000 0.477 572 N N -1.839 116.836 118.700 -0.042 0.000 2.264 572 N HA 0.470 5.210 4.740 -0.000 0.000 0.288 572 N C -1.088 174.400 175.510 -0.038 0.000 1.094 572 N CA -0.580 52.444 53.050 -0.045 0.000 0.817 572 N CB 2.863 41.310 38.487 -0.067 0.000 1.604 572 N HN -0.104 nan 8.380 nan 0.000 0.473 573 V N 1.009 120.912 119.914 -0.018 0.000 2.686 573 V HA 0.103 4.223 4.120 -0.000 0.000 0.295 573 V C 0.040 176.130 176.094 -0.005 0.000 1.055 573 V CA -0.307 62.002 62.300 0.014 0.000 1.050 573 V CB 0.590 32.443 31.823 0.051 0.000 0.984 573 V HN 0.606 nan 8.190 nan 0.000 0.482 574 D N 3.625 124.049 120.400 0.039 0.000 2.390 574 D HA 0.290 4.930 4.640 -0.000 0.000 0.249 574 D C -0.031 176.330 176.300 0.101 0.000 1.144 574 D CA 0.238 54.205 54.000 -0.055 0.000 0.880 574 D CB 0.382 41.209 40.800 0.046 0.000 1.182 574 D HN 0.505 nan 8.370 nan 0.000 0.451 575 F N -0.172 119.697 119.950 -0.134 0.000 2.659 575 F HA -0.244 4.283 4.527 -0.000 0.000 0.368 575 F C 0.265 176.098 175.800 0.056 0.000 1.083 575 F CA 0.220 58.130 58.000 -0.150 0.000 1.195 575 F CB -2.003 37.053 39.000 0.094 0.000 1.616 575 F HN 0.186 nan 8.300 nan 0.000 0.801 576 T N -0.962 113.563 114.554 -0.049 0.000 2.749 576 T HA 0.645 4.995 4.350 -0.000 0.000 0.310 576 T C -0.504 174.157 174.700 -0.066 0.000 1.496 576 T CA -0.432 61.704 62.100 0.060 0.000 1.006 576 T CB 2.154 71.041 68.868 0.031 0.000 1.457 576 T HN 0.586 nan 8.240 nan 0.000 0.497 577 V N 0.742 120.614 119.914 -0.069 0.000 2.465 577 V HA 0.642 4.761 4.120 -0.000 0.000 0.279 577 V C 0.453 176.500 176.094 -0.079 0.000 1.045 577 V CA -0.805 61.428 62.300 -0.112 0.000 0.938 577 V CB 0.696 32.431 31.823 -0.148 0.000 0.986 577 V HN 0.946 nan 8.190 nan 0.000 0.467 578 D N 3.136 123.486 120.400 -0.083 0.000 2.169 578 D HA -0.065 4.575 4.640 -0.000 0.000 0.253 578 D C 1.546 177.820 176.300 -0.043 0.000 1.257 578 D CA 0.708 54.669 54.000 -0.065 0.000 0.976 578 D CB -0.188 40.571 40.800 -0.067 0.000 1.195 578 D HN 0.720 nan 8.370 nan 0.000 0.534 579 T N -1.796 112.737 114.554 -0.035 0.000 2.788 579 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 579 T C 0.760 175.448 174.700 -0.020 0.000 1.044 579 T CA 1.476 63.562 62.100 -0.024 0.000 1.139 579 T CB -0.791 68.063 68.868 -0.022 0.000 0.867 579 T HN 0.465 nan 8.240 nan 0.000 0.454 580 N N 0.762 119.448 118.700 -0.022 0.000 2.327 580 N HA 0.428 5.168 4.740 -0.000 0.000 0.231 580 N C 0.847 176.349 175.510 -0.013 0.000 1.130 580 N CA 0.289 53.330 53.050 -0.014 0.000 0.845 580 N CB 0.250 38.729 38.487 -0.013 0.000 1.073 580 N HN 0.482 nan 8.380 nan 0.000 0.496 581 G N 0.313 109.100 108.800 -0.021 0.000 2.366 581 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.299 581 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.299 581 G C -0.345 174.535 174.900 -0.034 0.000 1.020 581 G CA 0.023 45.107 45.100 -0.026 0.000 1.026 581 G HN 0.258 nan 8.290 nan 0.000 0.512 582 V N 1.259 121.145 119.914 -0.047 0.000 2.293 582 V HA 0.380 4.500 4.120 -0.000 0.000 0.275 582 V C 0.403 176.457 176.094 -0.066 0.000 1.021 582 V CA -1.306 60.973 62.300 -0.036 0.000 0.815 582 V CB 0.795 32.598 31.823 -0.032 0.000 1.025 582 V HN 0.427 nan 8.190 nan 0.000 0.448 583 Y N 4.737 124.893 120.300 -0.239 0.000 2.550 583 Y HA 0.401 4.951 4.550 -0.000 0.000 0.343 583 Y C 0.713 176.515 175.900 -0.162 0.000 1.245 583 Y CA 0.514 58.432 58.100 -0.304 0.000 1.462 583 Y CB 0.892 39.085 38.460 -0.445 0.000 1.340 583 Y HN 0.736 nan 8.280 nan 0.000 0.604 584 S N 3.194 118.330 115.700 -0.940 0.000 2.563 584 S HA 0.362 4.832 4.470 -0.000 0.000 0.279 584 S C -1.670 172.406 174.600 -0.873 0.000 1.155 584 S CA -1.184 56.606 58.200 -0.685 0.000 0.928 584 S CB 1.097 64.063 63.200 -0.391 0.000 1.107 584 S HN 0.673 nan 8.310 nan 0.000 0.462 585 E N 3.081 122.916 120.200 -0.608 0.000 2.089 585 E HA 0.299 4.649 4.350 -0.000 0.000 0.284 585 E C -1.840 174.422 176.600 -0.563 0.000 1.023 585 E CA -2.148 53.884 56.400 -0.613 0.000 0.819 585 E CB 0.928 30.557 29.700 -0.118 0.000 1.076 585 E HN 0.412 nan 8.360 nan 0.000 0.396 586 P HA -0.160 nan 4.420 nan 0.000 0.214 586 P C -0.297 176.869 177.300 -0.223 0.000 1.162 586 P CA 1.299 64.123 63.100 -0.460 0.000 0.879 586 P CB 0.291 31.693 31.700 -0.496 0.000 0.786 587 R N -2.467 117.963 120.500 -0.117 0.000 2.888 587 R HA 0.685 5.025 4.340 -0.000 0.000 0.264 587 R C -3.062 173.274 176.300 0.061 0.000 1.045 587 R CA -2.442 53.675 56.100 0.027 0.000 0.962 587 R CB -0.288 30.093 30.300 0.134 0.000 1.210 587 R HN -0.248 nan 8.270 nan 0.000 0.479 588 P HA 0.318 nan 4.420 nan 0.000 0.284 588 P C -0.864 176.528 177.300 0.154 0.000 1.253 588 P CA -0.395 62.649 63.100 -0.094 0.000 0.800 588 P CB 0.777 32.338 31.700 -0.233 0.000 0.961 589 I N 1.910 122.564 120.570 0.139 0.000 2.378 589 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 589 I C 1.239 177.552 176.117 0.326 0.000 0.992 589 I CA -0.422 61.003 61.300 0.209 0.000 1.154 589 I CB 1.820 39.783 38.000 -0.061 0.000 1.315 589 I HN 0.410 nan 8.210 nan 0.000 0.448 590 G N 2.999 112.009 108.800 0.350 0.000 2.580 590 G HA2 0.215 4.175 3.960 -0.000 0.000 0.225 590 G HA3 0.215 4.175 3.960 -0.000 0.000 0.225 590 G C 0.479 175.456 174.900 0.128 0.000 1.521 590 G CA 0.306 45.386 45.100 -0.034 0.000 1.068 590 G HN 0.530 nan 8.290 nan 0.000 0.564 591 T N -1.128 113.426 114.554 -0.000 0.000 3.098 591 T HA 0.182 4.532 4.350 -0.000 0.000 0.256 591 T C 0.892 175.660 174.700 0.113 0.000 0.921 591 T CA -0.339 61.784 62.100 0.038 0.000 0.916 591 T CB 0.237 69.119 68.868 0.024 0.000 1.246 591 T HN 0.249 nan 8.240 nan 0.000 0.511 592 R N 1.062 121.550 120.500 -0.021 0.000 2.248 592 R HA 0.395 4.735 4.340 -0.000 0.000 0.337 592 R C -0.402 175.793 176.300 -0.175 0.000 1.085 592 R CA 0.201 56.258 56.100 -0.073 0.000 0.934 592 R CB 0.334 30.525 30.300 -0.181 0.000 1.034 592 R HN 0.369 nan 8.270 nan 0.000 0.465 593 Y N 0.829 121.159 120.300 0.050 0.000 2.844 593 Y HA 0.169 4.719 4.550 -0.000 0.000 0.256 593 Y C 0.553 176.513 175.900 0.099 0.000 1.134 593 Y CA -0.315 57.826 58.100 0.068 0.000 1.209 593 Y CB 0.414 38.905 38.460 0.051 0.000 1.418 593 Y HN 0.275 nan 8.280 nan 0.000 0.459 594 L N 1.487 122.893 121.223 0.306 0.000 2.485 594 L HA 0.127 4.467 4.340 -0.000 0.000 0.275 594 L C 0.062 177.208 176.870 0.460 0.000 1.207 594 L CA 0.604 55.620 54.840 0.293 0.000 0.855 594 L CB 0.562 42.751 42.059 0.217 0.000 1.114 594 L HN 0.068 nan 8.230 nan 0.000 0.485 595 T N 4.452 119.270 114.554 0.439 0.000 2.788 595 T HA 0.288 4.638 4.350 -0.000 0.000 0.296 595 T C -0.159 174.842 174.700 0.501 0.000 1.009 595 T CA -0.434 61.909 62.100 0.406 0.000 0.949 595 T CB 0.503 69.515 68.868 0.240 0.000 0.946 595 T HN 0.454 nan 8.240 nan 0.000 0.453 596 R N 3.382 123.986 120.500 0.174 0.000 2.540 596 R HA 0.426 4.766 4.340 -0.000 0.000 0.287 596 R C -0.121 176.189 176.300 0.017 0.000 0.980 596 R CA -0.730 55.223 56.100 -0.246 0.000 0.966 596 R CB 0.709 30.154 30.300 -1.426 0.000 1.106 596 R HN 0.660 nan 8.270 nan 0.000 0.480 597 N N 3.230 121.934 118.700 0.008 0.000 2.483 597 N HA 0.133 4.872 4.740 -0.000 0.000 0.269 597 N C -0.007 175.542 175.510 0.065 0.000 1.209 597 N CA -0.587 52.505 53.050 0.070 0.000 0.969 597 N CB 0.767 39.278 38.487 0.039 0.000 1.173 597 N HN 0.484 nan 8.380 nan 0.000 0.475 598 L N 0.000 121.210 121.223 -0.022 0.000 2.949 598 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 598 L CA 0.000 54.672 54.840 -0.280 0.000 0.813 598 L CB 0.000 41.768 42.059 -0.485 0.000 0.961 598 L HN 0.000 nan 8.230 nan 0.000 0.502