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 3ftn_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKGFAMLSIG KVGWIEKEKP APGPFDAIVR PLAVAPCTSD IHTVFEGAIG DATA SEQUENCE ERHNMILGHE AVGEVVEVGS EVKDFKPGDR VVVPAITPDW RTSEVQRGYH DATA SEQUENCE QHSGGMLAGW KFSNVKDGVF GEFFHVNDAD MNLAHLPKEI PLEAAVMIPD DATA SEQUENCE MMTTGFHGAE LADIEMGSSV VVIGIGAVGL MGIAGAKLRG AGRIIGVGSR DATA SEQUENCE PICVEAAKFY GATDILNYKN GHIVDQVMKL TNGKGVDRVI MAGGGSETLS DATA SEQUENCE QAVKMVKPGG IISNINYHGS GDALLIPRVE WGCGMAHKTI KGGLCPGGRL DATA SEQUENCE RMERLIDLVF YKRVDPSKLV THVFRGFDNI EKAFMLMKDK PKDLIKPVVI DATA SEQUENCE LA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.349 176.300 0.081 0.000 1.140 1 M CA 0.000 55.366 55.300 0.109 0.000 0.988 1 M CB 0.000 32.731 32.600 0.218 0.000 1.302 2 K N 0.332 120.758 120.400 0.043 0.000 2.156 2 K HA 0.891 5.212 4.320 0.001 0.000 0.254 2 K C -0.521 176.226 176.600 0.245 0.000 0.950 2 K CA -0.795 55.570 56.287 0.129 0.000 0.849 2 K CB 2.306 34.847 32.500 0.069 0.000 1.100 2 K HN 0.880 nan 8.250 nan 0.000 0.434 3 G N 1.165 110.175 108.800 0.350 0.000 2.696 3 G HA2 0.415 4.376 3.960 0.001 0.000 0.295 3 G HA3 0.415 4.376 3.960 0.001 0.000 0.295 3 G C -1.931 173.016 174.900 0.078 0.000 1.398 3 G CA -0.627 44.655 45.100 0.303 0.000 0.920 3 G HN 0.409 nan 8.290 nan 0.000 0.492 4 F N 2.204 121.859 119.950 -0.492 0.000 2.444 4 F HA 0.666 5.193 4.527 0.001 0.000 0.360 4 F C 0.407 175.939 175.800 -0.446 0.000 1.106 4 F CA -0.627 56.807 58.000 -0.945 0.000 1.170 4 F CB 0.808 39.032 39.000 -1.294 0.000 1.113 4 F HN 0.623 nan 8.300 nan 0.000 0.521 5 A N 7.021 129.290 122.820 -0.918 0.000 2.380 5 A HA 0.592 4.913 4.320 0.001 0.000 0.315 5 A C -0.713 176.441 177.584 -0.717 0.000 1.101 5 A CA -1.012 50.658 52.037 -0.612 0.000 0.771 5 A CB 1.234 20.023 19.000 -0.352 0.000 1.287 5 A HN 0.863 nan 8.150 nan 0.000 0.436 6 M N 3.764 123.073 119.600 -0.486 0.000 2.341 6 M HA 0.231 4.712 4.480 0.001 0.000 0.336 6 M C -0.460 175.637 176.300 -0.338 0.000 1.489 6 M CA -0.097 54.960 55.300 -0.404 0.000 1.278 6 M CB -0.385 32.055 32.600 -0.267 0.000 1.657 6 M HN 0.725 nan 8.290 nan 0.000 0.455 7 L N 3.150 124.162 121.223 -0.351 0.000 2.083 7 L HA -0.031 4.310 4.340 0.001 0.000 0.209 7 L C 1.016 177.726 176.870 -0.266 0.000 1.083 7 L CA 0.764 55.408 54.840 -0.326 0.000 0.752 7 L CB -0.757 41.147 42.059 -0.257 0.000 0.899 7 L HN 0.925 nan 8.230 nan 0.000 0.433 8 S N -2.336 113.256 115.700 -0.181 0.000 2.645 8 S HA 0.277 4.747 4.470 0.001 0.000 0.268 8 S C -0.629 173.905 174.600 -0.109 0.000 1.110 8 S CA -1.029 57.120 58.200 -0.085 0.000 0.823 8 S CB 0.472 63.670 63.200 -0.004 0.000 1.091 8 S HN 0.016 nan 8.310 nan 0.000 0.466 9 I N 2.193 122.723 120.570 -0.067 0.000 2.919 9 I HA 0.274 4.445 4.170 0.001 0.000 0.299 9 I C 1.743 177.805 176.117 -0.092 0.000 1.221 9 I CA 1.891 63.145 61.300 -0.077 0.000 1.424 9 I CB -0.482 37.504 38.000 -0.024 0.000 1.358 9 I HN 1.391 nan 8.210 nan 0.000 0.551 10 G N 5.084 113.771 108.800 -0.188 0.000 2.225 10 G HA2 -0.226 3.735 3.960 0.001 0.000 0.254 10 G HA3 -0.226 3.735 3.960 0.001 0.000 0.254 10 G C 0.163 174.964 174.900 -0.165 0.000 0.988 10 G CA -0.272 44.745 45.100 -0.138 0.000 0.625 10 G HN 0.517 nan 8.290 nan 0.000 0.527 11 K N 0.638 120.915 120.400 -0.204 0.000 2.323 11 K HA 0.708 5.028 4.320 0.001 0.000 0.259 11 K C 0.110 176.549 176.600 -0.268 0.000 0.947 11 K CA -0.291 55.903 56.287 -0.155 0.000 0.819 11 K CB 2.711 35.150 32.500 -0.102 0.000 1.109 11 K HN 0.873 nan 8.250 nan 0.000 0.429 12 V N -1.800 117.963 119.914 -0.252 0.000 3.074 12 V HA 1.018 5.139 4.120 0.001 0.000 0.314 12 V C 0.053 175.899 176.094 -0.413 0.000 1.117 12 V CA -0.704 61.303 62.300 -0.488 0.000 1.014 12 V CB 1.934 33.379 31.823 -0.630 0.000 1.057 12 V HN 0.890 nan 8.190 nan 0.000 0.438 13 G N -0.185 108.187 108.800 -0.713 0.000 2.328 13 G HA2 0.409 4.370 3.960 0.001 0.000 0.295 13 G HA3 0.409 4.370 3.960 0.001 0.000 0.295 13 G C -2.209 172.456 174.900 -0.392 0.000 1.413 13 G CA -0.911 43.990 45.100 -0.332 0.000 0.817 13 G HN 0.880 nan 8.290 nan 0.000 0.546 14 W N 0.475 121.805 121.300 0.049 0.000 2.272 14 W HA 0.616 5.277 4.660 0.001 0.000 0.318 14 W C 0.937 177.446 176.519 -0.017 0.000 1.255 14 W CA -0.145 57.240 57.345 0.067 0.000 1.200 14 W CB 0.951 30.471 29.460 0.102 0.000 1.170 14 W HN 0.543 nan 8.180 nan 0.000 0.549 15 I N -0.720 119.970 120.570 0.200 0.000 3.145 15 I HA 0.638 4.809 4.170 0.001 0.000 0.313 15 I C -0.920 175.270 176.117 0.121 0.000 1.122 15 I CA -1.580 59.779 61.300 0.098 0.000 0.987 15 I CB 2.203 40.199 38.000 -0.006 0.000 1.236 15 I HN 0.192 nan 8.210 nan 0.000 0.453 16 E N 2.461 122.706 120.200 0.074 0.000 2.156 16 E HA 0.515 4.865 4.350 0.001 0.000 0.279 16 E C -1.302 175.332 176.600 0.057 0.000 0.965 16 E CA -0.392 56.048 56.400 0.067 0.000 0.789 16 E CB 1.417 31.145 29.700 0.047 0.000 1.098 16 E HN 0.567 nan 8.360 nan 0.000 0.397 17 K N 2.455 122.898 120.400 0.071 0.000 2.443 17 K HA 0.313 4.634 4.320 0.001 0.000 0.251 17 K C -1.029 175.617 176.600 0.077 0.000 0.972 17 K CA -1.092 55.236 56.287 0.068 0.000 0.833 17 K CB 1.636 34.181 32.500 0.076 0.000 1.317 17 K HN 0.395 nan 8.250 nan 0.000 0.441 18 E N 1.837 122.075 120.200 0.065 0.000 2.373 18 E HA 0.016 4.366 4.350 0.001 0.000 0.267 18 E C -0.925 175.725 176.600 0.084 0.000 1.032 18 E CA 0.057 56.493 56.400 0.061 0.000 0.889 18 E CB 0.736 30.460 29.700 0.041 0.000 0.984 18 E HN 0.257 nan 8.360 nan 0.000 0.425 19 K N 4.863 125.308 120.400 0.075 0.000 2.416 19 K HA 0.129 4.450 4.320 0.001 0.000 0.283 19 K C -2.109 174.515 176.600 0.041 0.000 1.037 19 K CA -1.374 54.956 56.287 0.070 0.000 0.995 19 K CB 0.204 32.673 32.500 -0.052 0.000 0.938 19 K HN 0.305 nan 8.250 nan 0.000 0.475 20 P HA 0.091 nan 4.420 nan 0.000 0.271 20 P C -1.442 175.903 177.300 0.076 0.000 1.218 20 P CA -0.402 62.768 63.100 0.116 0.000 0.780 20 P CB 1.264 33.097 31.700 0.222 0.000 0.901 21 A N 3.214 126.089 122.820 0.093 0.000 2.340 21 A HA 0.755 5.075 4.320 0.001 0.000 0.331 21 A C -2.517 175.143 177.584 0.127 0.000 1.140 21 A CA -1.606 50.465 52.037 0.057 0.000 0.801 21 A CB 0.340 19.354 19.000 0.022 0.000 1.234 21 A HN 0.395 nan 8.150 nan 0.000 0.469 22 P HA 0.437 nan 4.420 nan 0.000 0.282 22 P C 0.355 177.701 177.300 0.076 0.000 1.249 22 P CA -0.017 63.103 63.100 0.034 0.000 0.806 22 P CB 1.196 32.861 31.700 -0.057 0.000 0.984 23 G N 1.969 110.851 108.800 0.136 0.000 2.621 23 G HA2 0.260 4.220 3.960 0.001 0.000 0.271 23 G HA3 0.260 4.220 3.960 0.001 0.000 0.271 23 G C -1.686 173.237 174.900 0.039 0.000 1.236 23 G CA -1.300 43.868 45.100 0.112 0.000 0.958 23 G HN 0.258 nan 8.290 nan 0.000 0.512 24 P HA -0.088 nan 4.420 nan 0.000 0.217 24 P C 0.912 177.997 177.300 -0.359 0.000 1.148 24 P CA 1.275 64.232 63.100 -0.238 0.000 0.828 24 P CB 0.030 31.506 31.700 -0.372 0.000 0.783 25 F N -1.913 118.057 119.950 0.033 0.000 2.695 25 F HA 0.159 4.687 4.527 0.001 0.000 0.303 25 F C 0.909 176.717 175.800 0.014 0.000 1.091 25 F CA -0.093 57.926 58.000 0.032 0.000 1.300 25 F CB -0.079 38.949 39.000 0.047 0.000 1.071 25 F HN -0.179 nan 8.300 nan 0.000 0.578 26 D N 0.153 120.617 120.400 0.108 0.000 2.440 26 D HA 0.668 5.309 4.640 0.001 0.000 0.258 26 D C -0.309 175.931 176.300 -0.101 0.000 1.092 26 D CA -0.346 53.636 54.000 -0.030 0.000 1.016 26 D CB 1.769 42.488 40.800 -0.135 0.000 1.141 26 D HN -0.011 nan 8.370 nan 0.000 0.552 27 A N 0.400 123.099 122.820 -0.200 0.000 2.475 27 A HA 0.564 4.884 4.320 0.001 0.000 0.301 27 A C -1.171 176.284 177.584 -0.214 0.000 1.059 27 A CA -0.663 51.279 52.037 -0.159 0.000 0.710 27 A CB 1.162 20.089 19.000 -0.121 0.000 1.288 27 A HN 0.352 nan 8.150 nan 0.000 0.408 28 I N 2.149 122.627 120.570 -0.154 0.000 2.336 28 I HA 0.501 4.672 4.170 0.001 0.000 0.292 28 I C -0.275 175.745 176.117 -0.161 0.000 0.991 28 I CA -0.561 60.656 61.300 -0.139 0.000 1.227 28 I CB 0.838 38.767 38.000 -0.118 0.000 1.366 28 I HN 0.288 nan 8.210 nan 0.000 0.466 29 V N 6.878 126.591 119.914 -0.335 0.000 2.823 29 V HA 0.552 4.673 4.120 0.001 0.000 0.312 29 V C 0.015 175.831 176.094 -0.462 0.000 1.072 29 V CA -0.979 61.045 62.300 -0.459 0.000 0.937 29 V CB 2.604 33.988 31.823 -0.731 0.000 1.013 29 V HN 0.826 nan 8.190 nan 0.000 0.430 30 R N 4.145 124.556 120.500 -0.147 0.000 2.460 30 R HA 0.633 4.973 4.340 0.001 0.000 0.303 30 R C -2.900 173.427 176.300 0.045 0.000 0.968 30 R CA -1.862 54.208 56.100 -0.050 0.000 0.889 30 R CB 1.895 32.189 30.300 -0.011 0.000 1.123 30 R HN 0.399 nan 8.270 nan 0.000 0.455 31 P HA 0.064 nan 4.420 nan 0.000 0.276 31 P C -0.094 177.257 177.300 0.085 0.000 1.230 31 P CA -0.308 62.946 63.100 0.256 0.000 0.776 31 P CB 1.217 33.095 31.700 0.296 0.000 0.888 32 L N 1.355 122.620 121.223 0.069 0.000 2.537 32 L HA 0.370 4.711 4.340 0.001 0.000 0.224 32 L C 1.053 177.917 176.870 -0.011 0.000 1.065 32 L CA 0.442 55.293 54.840 0.018 0.000 0.860 32 L CB 0.140 42.223 42.059 0.040 0.000 1.086 32 L HN 0.403 nan 8.230 nan 0.000 0.482 33 A N 0.309 123.139 122.820 0.017 0.000 2.520 33 A HA 0.666 4.987 4.320 0.001 0.000 0.298 33 A C -1.028 176.576 177.584 0.032 0.000 1.051 33 A CA -0.426 51.614 52.037 0.005 0.000 0.690 33 A CB 1.896 20.905 19.000 0.014 0.000 1.281 33 A HN -0.089 nan 8.150 nan 0.000 0.402 34 V N -1.881 118.053 119.914 0.033 0.000 3.181 34 V HA 1.053 5.173 4.120 0.001 0.000 0.308 34 V C -0.315 175.845 176.094 0.111 0.000 1.214 34 V CA -0.315 62.045 62.300 0.099 0.000 1.053 34 V CB 1.353 33.306 31.823 0.216 0.000 1.069 34 V HN 2.525 nan 8.190 nan 0.000 0.441 35 A N 2.196 125.122 122.820 0.176 0.000 2.572 35 A HA 1.041 5.362 4.320 0.001 0.000 0.295 35 A C -3.300 174.442 177.584 0.265 0.000 1.072 35 A CA -1.661 50.468 52.037 0.153 0.000 0.691 35 A CB 2.080 21.121 19.000 0.069 0.000 1.291 35 A HN 0.768 nan 8.150 nan 0.000 0.404 36 P HA 0.516 nan 4.420 nan 0.000 0.284 36 P C -0.709 176.627 177.300 0.060 0.000 1.258 36 P CA -0.478 62.808 63.100 0.309 0.000 0.824 36 P CB 1.163 33.009 31.700 0.244 0.000 1.038 37 C N 2.080 121.372 119.300 -0.013 0.000 2.411 37 C HA 0.359 4.819 4.460 0.001 0.000 0.330 37 C C 2.318 177.283 174.990 -0.041 0.000 1.224 37 C CA 0.321 59.310 59.018 -0.049 0.000 1.770 37 C CB 0.304 27.998 27.740 -0.078 0.000 2.297 37 C HN 0.873 nan 8.230 nan 0.000 0.507 38 T N 1.699 116.204 114.554 -0.082 0.000 2.721 38 T HA -0.220 4.130 4.350 0.001 0.000 0.268 38 T C 1.739 176.298 174.700 -0.236 0.000 1.038 38 T CA 2.393 64.376 62.100 -0.196 0.000 1.145 38 T CB -0.703 68.048 68.868 -0.196 0.000 0.858 38 T HN 1.115 nan 8.240 nan 0.000 0.459 39 S N 1.831 117.541 115.700 0.018 0.000 2.383 39 S HA -0.204 4.266 4.470 0.001 0.000 0.229 39 S C 1.750 176.548 174.600 0.331 0.000 1.030 39 S CA 1.476 59.849 58.200 0.288 0.000 1.002 39 S CB -0.760 62.644 63.200 0.341 0.000 0.829 39 S HN 0.483 nan 8.310 nan 0.000 0.467 40 D N 1.418 121.982 120.400 0.273 0.000 2.178 40 D HA 0.052 4.692 4.640 0.001 0.000 0.202 40 D C 1.946 178.438 176.300 0.320 0.000 0.974 40 D CA 0.657 54.870 54.000 0.355 0.000 0.841 40 D CB -0.231 40.827 40.800 0.429 0.000 0.953 40 D HN 0.357 nan 8.370 nan 0.000 0.478 41 I N 0.571 121.211 120.570 0.116 0.000 2.179 41 I HA -0.233 3.938 4.170 0.001 0.000 0.242 41 I C 2.061 178.341 176.117 0.271 0.000 1.088 41 I CA 1.349 62.733 61.300 0.140 0.000 1.357 41 I CB -1.312 36.609 38.000 -0.132 0.000 1.051 41 I HN 0.227 nan 8.210 nan 0.000 0.409 42 H N 0.202 119.371 119.070 0.165 0.000 2.319 42 H HA -0.148 4.409 4.556 0.001 0.000 0.299 42 H C 2.319 177.738 175.328 0.151 0.000 1.092 42 H CA 1.852 57.959 56.048 0.099 0.000 1.302 42 H CB -0.153 29.569 29.762 -0.065 0.000 1.373 42 H HN 0.254 nan 8.280 nan 0.000 0.497 43 T N 0.118 114.879 114.554 0.344 0.000 2.684 43 T HA -0.148 4.203 4.350 0.001 0.000 0.267 43 T C 2.268 177.040 174.700 0.119 0.000 1.036 43 T CA 1.384 63.632 62.100 0.248 0.000 1.148 43 T CB -0.334 68.695 68.868 0.268 0.000 0.863 43 T HN 0.084 nan 8.240 nan 0.000 0.436 44 V N 0.036 119.997 119.914 0.079 0.000 2.407 44 V HA 0.011 4.131 4.120 0.001 0.000 0.245 44 V C 1.705 177.606 176.094 -0.322 0.000 1.041 44 V CA 1.484 63.664 62.300 -0.201 0.000 1.040 44 V CB -0.466 31.139 31.823 -0.362 0.000 0.671 44 V HN 0.451 nan 8.190 nan 0.000 0.455 45 F N -0.526 119.497 119.950 0.122 0.000 2.678 45 F HA 0.274 4.802 4.527 0.001 0.000 0.305 45 F C 1.780 177.621 175.800 0.069 0.000 1.090 45 F CA 0.155 58.206 58.000 0.086 0.000 1.272 45 F CB 0.273 39.319 39.000 0.076 0.000 1.060 45 F HN 0.148 nan 8.300 nan 0.000 0.576 46 E N -0.644 119.680 120.200 0.207 0.000 2.641 46 E HA 0.207 4.558 4.350 0.001 0.000 0.224 46 E C 1.203 177.853 176.600 0.084 0.000 0.951 46 E CA 0.166 56.644 56.400 0.129 0.000 1.102 46 E CB 0.865 30.629 29.700 0.106 0.000 1.091 46 E HN 0.181 nan 8.360 nan 0.000 0.507 47 G N 2.019 110.868 108.800 0.082 0.000 2.395 47 G HA2 -0.352 3.609 3.960 0.001 0.000 0.300 47 G HA3 -0.352 3.609 3.960 0.001 0.000 0.300 47 G C 0.867 175.813 174.900 0.076 0.000 0.998 47 G CA 0.471 45.608 45.100 0.061 0.000 1.046 47 G HN 0.398 nan 8.290 nan 0.000 0.513 48 A N -0.479 122.411 122.820 0.118 0.000 2.168 48 A HA 0.384 4.705 4.320 0.001 0.000 0.215 48 A C 1.967 179.670 177.584 0.197 0.000 1.152 48 A CA 1.435 53.556 52.037 0.141 0.000 0.716 48 A CB -0.169 18.906 19.000 0.125 0.000 0.794 48 A HN 1.583 nan 8.150 nan 0.000 0.465 49 I N -5.706 114.957 120.570 0.154 0.000 3.817 49 I HA 0.585 4.756 4.170 0.001 0.000 0.325 49 I C 0.543 176.673 176.117 0.022 0.000 1.550 49 I CA -0.019 61.333 61.300 0.087 0.000 1.100 49 I CB 0.103 38.127 38.000 0.041 0.000 1.216 49 I HN 0.307 nan 8.210 nan 0.000 0.481 50 G N 1.672 110.490 108.800 0.031 0.000 2.661 50 G HA2 -0.188 3.773 3.960 0.001 0.000 0.685 50 G HA3 -0.188 3.773 3.960 0.001 0.000 0.685 50 G C -0.855 174.046 174.900 0.001 0.000 1.298 50 G CA -0.445 44.659 45.100 0.007 0.000 0.855 50 G HN 0.573 nan 8.290 nan 0.000 0.560 51 E N -0.318 119.879 120.200 -0.005 0.000 2.373 51 E HA 0.616 4.967 4.350 0.001 0.000 0.263 51 E C 0.444 177.037 176.600 -0.011 0.000 1.073 51 E CA -0.483 55.913 56.400 -0.006 0.000 0.894 51 E CB 0.444 30.143 29.700 -0.001 0.000 1.008 51 E HN 0.480 nan 8.360 nan 0.000 0.420 52 R N 1.381 121.875 120.500 -0.010 0.000 2.808 52 R HA 0.366 4.707 4.340 0.001 0.000 0.272 52 R C -1.402 174.919 176.300 0.036 0.000 0.995 52 R CA -0.954 55.141 56.100 -0.008 0.000 0.917 52 R CB 1.465 31.737 30.300 -0.047 0.000 1.217 52 R HN 0.617 nan 8.270 nan 0.000 0.471 53 H N 1.505 120.532 119.070 -0.072 0.000 2.658 53 H HA 0.306 4.863 4.556 0.001 0.000 0.337 53 H C -0.532 174.752 175.328 -0.074 0.000 1.009 53 H CA -0.154 55.852 56.048 -0.070 0.000 1.231 53 H CB 0.586 30.316 29.762 -0.054 0.000 1.508 53 H HN 0.485 nan 8.280 nan 0.000 0.517 54 N N 3.485 121.960 118.700 -0.375 0.000 2.714 54 N HA -0.245 4.496 4.740 0.001 0.000 0.252 54 N C -0.654 174.770 175.510 -0.142 0.000 1.014 54 N CA 0.910 53.799 53.050 -0.267 0.000 0.735 54 N CB -0.759 37.589 38.487 -0.231 0.000 0.924 54 N HN 0.701 nan 8.380 nan 0.000 0.540 55 M N 0.952 120.466 119.600 -0.144 0.000 2.080 55 M HA 0.298 4.779 4.480 0.001 0.000 0.350 55 M C 0.106 176.329 176.300 -0.128 0.000 1.173 55 M CA -0.538 54.702 55.300 -0.100 0.000 1.052 55 M CB 0.532 33.082 32.600 -0.083 0.000 1.577 55 M HN 0.067 nan 8.290 nan 0.000 0.455 56 I N 5.674 126.195 120.570 -0.081 0.000 2.752 56 I HA -0.095 4.076 4.170 0.001 0.000 0.289 56 I C 0.110 176.166 176.117 -0.101 0.000 1.197 56 I CA 0.204 61.458 61.300 -0.077 0.000 1.432 56 I CB 0.156 38.164 38.000 0.014 0.000 1.359 56 I HN 0.709 nan 8.210 nan 0.000 0.571 57 L N 5.229 126.376 121.223 -0.127 0.000 2.490 57 L HA 0.647 4.988 4.340 0.001 0.000 0.245 57 L C 0.749 177.208 176.870 -0.686 0.000 1.185 57 L CA -0.270 54.456 54.840 -0.190 0.000 0.813 57 L CB 0.564 42.586 42.059 -0.061 0.000 1.233 57 L HN 0.871 nan 8.230 nan 0.000 0.489 58 G N 0.141 108.382 108.800 -0.931 0.000 2.721 58 G HA2 -0.140 3.820 3.960 0.001 0.000 0.686 58 G HA3 -0.140 3.820 3.960 0.001 0.000 0.686 58 G C -0.444 173.983 174.900 -0.788 0.000 1.236 58 G CA -0.031 44.085 45.100 -1.640 0.000 0.786 58 G HN 1.144 nan 8.290 nan 0.000 0.616 59 H N -0.417 118.375 119.070 -0.463 0.000 3.346 59 H HA 0.367 4.923 4.556 0.001 0.000 0.253 59 H C -0.340 174.873 175.328 -0.192 0.000 1.204 59 H CA 0.101 55.993 56.048 -0.260 0.000 0.996 59 H CB 0.401 30.229 29.762 0.110 0.000 2.713 59 H HN 0.533 nan 8.280 nan 0.000 0.690 60 E N 1.732 121.790 120.200 -0.236 0.000 2.235 60 E HA 0.708 5.058 4.350 0.001 0.000 0.252 60 E C -1.110 175.439 176.600 -0.085 0.000 0.886 60 E CA -0.681 55.666 56.400 -0.088 0.000 0.767 60 E CB 2.297 31.967 29.700 -0.049 0.000 1.205 60 E HN 0.500 nan 8.360 nan 0.000 0.421 61 A N 2.253 125.029 122.820 -0.073 0.000 2.515 61 A HA 0.654 4.975 4.320 0.001 0.000 0.298 61 A C -1.086 176.541 177.584 0.071 0.000 1.059 61 A CA -0.615 51.412 52.037 -0.016 0.000 0.698 61 A CB 1.522 20.454 19.000 -0.114 0.000 1.289 61 A HN 0.344 nan 8.150 nan 0.000 0.404 62 V N 1.166 121.136 119.914 0.093 0.000 2.483 62 V HA 0.825 4.946 4.120 0.001 0.000 0.295 62 V C 0.752 176.931 176.094 0.142 0.000 1.035 62 V CA 0.490 62.854 62.300 0.107 0.000 0.896 62 V CB 1.618 33.486 31.823 0.075 0.000 0.986 62 V HN 1.411 nan 8.190 nan 0.000 0.447 63 G N 2.768 111.656 108.800 0.146 0.000 2.725 63 G HA2 0.651 4.612 3.960 0.001 0.000 0.288 63 G HA3 0.651 4.612 3.960 0.001 0.000 0.288 63 G C -1.641 173.306 174.900 0.077 0.000 1.399 63 G CA -0.417 44.764 45.100 0.135 0.000 0.859 63 G HN 0.590 nan 8.290 nan 0.000 0.479 64 E N 0.125 120.353 120.200 0.047 0.000 2.199 64 E HA 0.470 4.821 4.350 0.001 0.000 0.265 64 E C -0.639 175.976 176.600 0.025 0.000 0.882 64 E CA -0.567 55.865 56.400 0.053 0.000 0.759 64 E CB 2.140 31.878 29.700 0.064 0.000 1.148 64 E HN 0.211 nan 8.360 nan 0.000 0.412 65 V N 5.010 124.946 119.914 0.036 0.000 2.585 65 V HA -0.023 4.098 4.120 0.001 0.000 0.296 65 V C 1.249 177.364 176.094 0.035 0.000 1.035 65 V CA 0.358 62.666 62.300 0.014 0.000 1.084 65 V CB 1.004 32.860 31.823 0.055 0.000 0.953 65 V HN 0.701 nan 8.190 nan 0.000 0.483 66 V N 1.093 121.018 119.914 0.019 0.000 3.635 66 V HA 0.485 4.605 4.120 0.001 0.000 0.266 66 V C 0.406 176.494 176.094 -0.011 0.000 1.316 66 V CA 0.422 62.742 62.300 0.033 0.000 1.060 66 V CB 0.181 32.058 31.823 0.090 0.000 0.820 66 V HN 0.857 nan 8.190 nan 0.000 0.447 67 E N 0.450 120.631 120.200 -0.032 0.000 2.378 67 E HA 0.557 4.908 4.350 0.001 0.000 0.283 67 E C -1.829 174.746 176.600 -0.041 0.000 0.979 67 E CA -0.405 55.969 56.400 -0.044 0.000 0.795 67 E CB 2.968 32.620 29.700 -0.080 0.000 1.221 67 E HN 0.366 nan 8.360 nan 0.000 0.428 68 V N 0.281 120.180 119.914 -0.026 0.000 2.876 68 V HA 0.909 5.029 4.120 0.001 0.000 0.312 68 V C 0.317 176.390 176.094 -0.034 0.000 1.085 68 V CA -0.223 62.065 62.300 -0.020 0.000 0.945 68 V CB 1.481 33.318 31.823 0.022 0.000 1.017 68 V HN 0.693 nan 8.190 nan 0.000 0.428 69 G N 1.566 110.339 108.800 -0.044 0.000 2.634 69 G HA2 0.381 4.341 3.960 0.001 0.000 0.255 69 G HA3 0.381 4.341 3.960 0.001 0.000 0.255 69 G C 1.075 175.918 174.900 -0.094 0.000 1.205 69 G CA 0.154 45.213 45.100 -0.069 0.000 0.884 69 G HN 1.722 nan 8.290 nan 0.000 0.549 70 S N -0.564 115.065 115.700 -0.118 0.000 2.419 70 S HA -0.102 4.369 4.470 0.001 0.000 0.235 70 S C 1.350 175.850 174.600 -0.167 0.000 1.019 70 S CA 1.536 59.663 58.200 -0.122 0.000 0.982 70 S CB -0.008 63.125 63.200 -0.113 0.000 0.789 70 S HN 0.556 nan 8.310 nan 0.000 0.490 71 E N 0.897 120.920 120.200 -0.294 0.000 2.474 71 E HA 0.274 4.624 4.350 0.001 0.000 0.195 71 E C -0.153 176.352 176.600 -0.159 0.000 1.039 71 E CA -0.069 56.118 56.400 -0.355 0.000 0.881 71 E CB 0.378 29.523 29.700 -0.926 0.000 0.970 71 E HN 0.376 nan 8.360 nan 0.000 0.486 72 V N 2.658 122.525 119.914 -0.078 0.000 2.508 72 V HA 0.026 4.147 4.120 0.001 0.000 0.281 72 V C 1.297 177.418 176.094 0.045 0.000 1.041 72 V CA 0.319 62.643 62.300 0.041 0.000 1.016 72 V CB 1.268 33.132 31.823 0.069 0.000 0.984 72 V HN 0.020 nan 8.190 nan 0.000 0.478 73 K N 2.125 122.566 120.400 0.070 0.000 2.387 73 K HA 0.175 4.496 4.320 0.001 0.000 0.197 73 K C 0.504 177.095 176.600 -0.015 0.000 1.127 73 K CA 0.297 56.598 56.287 0.024 0.000 0.950 73 K CB 0.407 32.919 32.500 0.019 0.000 1.017 73 K HN 0.551 nan 8.250 nan 0.000 0.519 74 D N -0.345 120.032 120.400 -0.037 0.000 2.379 74 D HA 0.164 4.805 4.640 0.001 0.000 0.208 74 D C -0.405 175.529 176.300 -0.611 0.000 1.065 74 D CA 0.191 54.013 54.000 -0.298 0.000 0.848 74 D CB 0.337 40.900 40.800 -0.395 0.000 0.949 74 D HN -0.025 nan 8.370 nan 0.000 0.509 75 F N 0.691 120.683 119.950 0.070 0.000 2.576 75 F HA 0.410 4.937 4.527 0.001 0.000 0.313 75 F C 0.189 176.020 175.800 0.051 0.000 1.078 75 F CA -1.175 56.872 58.000 0.078 0.000 0.921 75 F CB 1.968 40.963 39.000 -0.009 0.000 1.232 75 F HN -0.384 nan 8.300 nan 0.000 0.459 76 K N 0.598 121.134 120.400 0.226 0.000 2.512 76 K HA 0.680 5.001 4.320 0.001 0.000 0.263 76 K C -3.357 173.311 176.600 0.113 0.000 0.966 76 K CA -2.453 53.908 56.287 0.124 0.000 0.851 76 K CB 1.850 34.393 32.500 0.072 0.000 1.395 76 K HN 0.077 nan 8.250 nan 0.000 0.440 77 P HA -0.049 nan 4.420 nan 0.000 0.261 77 P C 0.565 177.905 177.300 0.068 0.000 1.173 77 P CA 1.800 64.935 63.100 0.058 0.000 0.760 77 P CB 0.451 32.172 31.700 0.036 0.000 0.783 78 G N 2.222 111.067 108.800 0.075 0.000 2.232 78 G HA2 -0.186 3.774 3.960 0.001 0.000 0.226 78 G HA3 -0.186 3.774 3.960 0.001 0.000 0.226 78 G C -0.093 174.867 174.900 0.099 0.000 0.996 78 G CA -0.370 44.775 45.100 0.075 0.000 0.626 78 G HN 0.502 nan 8.290 nan 0.000 0.509 79 D N 1.424 121.908 120.400 0.139 0.000 2.425 79 D HA 0.356 4.996 4.640 0.001 0.000 0.247 79 D C 0.952 177.362 176.300 0.183 0.000 1.147 79 D CA 0.229 54.355 54.000 0.210 0.000 0.879 79 D CB 0.503 41.519 40.800 0.361 0.000 1.179 79 D HN 0.355 nan 8.370 nan 0.000 0.456 80 R N 1.205 121.812 120.500 0.180 0.000 2.265 80 R HA 0.419 4.760 4.340 0.001 0.000 0.314 80 R C -0.233 176.173 176.300 0.175 0.000 1.053 80 R CA -0.605 55.582 56.100 0.145 0.000 0.931 80 R CB 1.000 31.371 30.300 0.118 0.000 1.024 80 R HN 0.281 nan 8.270 nan 0.000 0.457 81 V N -0.223 119.764 119.914 0.122 0.000 3.007 81 V HA 0.515 4.636 4.120 0.001 0.000 0.311 81 V C -0.350 175.791 176.094 0.078 0.000 1.120 81 V CA -1.068 61.286 62.300 0.089 0.000 0.980 81 V CB 2.146 33.956 31.823 -0.021 0.000 1.033 81 V HN 0.336 nan 8.190 nan 0.000 0.429 82 V N 3.341 123.295 119.914 0.068 0.000 2.432 82 V HA 0.422 4.543 4.120 0.001 0.000 0.275 82 V C 0.138 176.270 176.094 0.062 0.000 1.043 82 V CA -0.322 62.020 62.300 0.070 0.000 0.925 82 V CB 1.349 33.211 31.823 0.066 0.000 0.985 82 V HN 0.751 nan 8.190 nan 0.000 0.466 83 V N 8.367 128.344 119.914 0.104 0.000 2.370 83 V HA 0.351 4.472 4.120 0.001 0.000 0.279 83 V C -2.069 174.112 176.094 0.145 0.000 1.029 83 V CA -1.805 60.587 62.300 0.154 0.000 0.870 83 V CB 1.548 33.530 31.823 0.266 0.000 0.984 83 V HN 0.749 nan 8.190 nan 0.000 0.451 84 P HA 0.238 nan 4.420 nan 0.000 0.278 84 P C 0.500 177.905 177.300 0.176 0.000 1.238 84 P CA -0.325 62.844 63.100 0.115 0.000 0.794 84 P CB 1.356 33.108 31.700 0.085 0.000 0.955 85 A N 2.824 125.720 122.820 0.127 0.000 1.972 85 A HA -0.068 4.253 4.320 0.001 0.000 0.219 85 A C 1.002 178.643 177.584 0.096 0.000 1.169 85 A CA 1.308 53.440 52.037 0.159 0.000 0.635 85 A CB -0.834 18.174 19.000 0.013 0.000 0.810 85 A HN 0.478 nan 8.150 nan 0.000 0.446 86 I N 1.148 121.733 120.570 0.025 0.000 2.312 86 I HA 0.241 4.412 4.170 0.001 0.000 0.290 86 I C 0.314 176.429 176.117 -0.004 0.000 1.008 86 I CA 0.047 61.351 61.300 0.006 0.000 1.226 86 I CB 1.396 39.390 38.000 -0.009 0.000 1.371 86 I HN 0.170 nan 8.210 nan 0.000 0.468 87 T N 4.817 119.322 114.554 -0.082 0.000 3.241 87 T HA 0.543 4.894 4.350 0.001 0.000 0.387 87 T C -2.697 171.927 174.700 -0.127 0.000 1.451 87 T CA -2.051 60.002 62.100 -0.080 0.000 1.363 87 T CB 0.599 69.367 68.868 -0.166 0.000 1.074 87 T HN 0.120 nan 8.240 nan 0.000 0.598 88 P HA 0.282 nan 4.420 nan 0.000 0.274 88 P C -0.332 176.760 177.300 -0.346 0.000 1.237 88 P CA -0.319 62.547 63.100 -0.389 0.000 0.793 88 P CB 0.569 31.811 31.700 -0.764 0.000 0.977 89 D N 1.064 121.318 120.400 -0.243 0.000 2.371 89 D HA -0.005 4.636 4.640 0.001 0.000 0.256 89 D C 0.424 176.611 176.300 -0.189 0.000 1.193 89 D CA 0.303 54.227 54.000 -0.127 0.000 0.881 89 D CB 0.382 41.133 40.800 -0.083 0.000 1.143 89 D HN 0.461 nan 8.370 nan 0.000 0.473 90 W N 1.496 122.765 121.300 -0.052 0.000 3.003 90 W HA 0.064 4.724 4.660 0.001 0.000 0.257 90 W C 1.142 177.639 176.519 -0.036 0.000 1.308 90 W CA -0.287 57.032 57.345 -0.043 0.000 1.529 90 W CB 0.489 29.911 29.460 -0.063 0.000 1.115 90 W HN -0.015 nan 8.180 nan 0.000 0.659 91 R N 1.305 121.871 120.500 0.111 0.000 3.256 91 R HA 0.213 4.553 4.340 0.001 0.000 0.263 91 R C -0.241 176.075 176.300 0.027 0.000 1.388 91 R CA 0.134 56.272 56.100 0.062 0.000 1.580 91 R CB -0.035 30.273 30.300 0.014 0.000 1.255 91 R HN -0.124 nan 8.270 nan 0.000 0.640 92 T N -3.771 110.801 114.554 0.030 0.000 2.864 92 T HA 0.136 4.486 4.350 0.001 0.000 0.299 92 T C 1.292 176.009 174.700 0.029 0.000 1.166 92 T CA -0.675 61.432 62.100 0.012 0.000 1.007 92 T CB 1.682 70.540 68.868 -0.015 0.000 1.219 92 T HN 0.145 nan 8.240 nan 0.000 0.506 93 S N 0.704 116.418 115.700 0.024 0.000 2.370 93 S HA -0.187 4.284 4.470 0.001 0.000 0.226 93 S C 1.535 176.167 174.600 0.052 0.000 1.033 93 S CA 1.499 59.720 58.200 0.035 0.000 1.011 93 S CB -0.839 62.375 63.200 0.024 0.000 0.852 93 S HN 0.799 nan 8.310 nan 0.000 0.457 94 E N 1.281 121.510 120.200 0.047 0.000 2.118 94 E HA -0.055 4.296 4.350 0.001 0.000 0.195 94 E C 2.120 178.781 176.600 0.101 0.000 0.992 94 E CA 1.116 57.566 56.400 0.084 0.000 0.804 94 E CB -0.651 29.094 29.700 0.075 0.000 0.741 94 E HN 0.432 nan 8.360 nan 0.000 0.458 95 V N 1.000 120.949 119.914 0.059 0.000 2.295 95 V HA -0.297 3.823 4.120 0.001 0.000 0.246 95 V C 2.195 178.357 176.094 0.115 0.000 1.049 95 V CA 1.935 64.286 62.300 0.085 0.000 1.024 95 V CB -0.537 31.348 31.823 0.103 0.000 0.648 95 V HN 0.307 nan 8.190 nan 0.000 0.447 96 Q N -0.366 119.492 119.800 0.096 0.000 2.170 96 Q HA -0.163 4.177 4.340 0.001 0.000 0.203 96 Q C 2.309 178.362 176.000 0.089 0.000 0.976 96 Q CA 1.128 56.983 55.803 0.086 0.000 0.858 96 Q CB -0.206 28.573 28.738 0.067 0.000 0.907 96 Q HN 0.580 nan 8.270 nan 0.000 0.433 97 R N -0.617 119.950 120.500 0.111 0.000 2.307 97 R HA 0.004 4.345 4.340 0.001 0.000 0.199 97 R C 0.949 177.353 176.300 0.173 0.000 1.000 97 R CA 0.646 56.837 56.100 0.152 0.000 1.023 97 R CB 0.282 30.691 30.300 0.181 0.000 0.908 97 R HN 0.398 nan 8.270 nan 0.000 0.473 98 G N 0.201 109.055 108.800 0.090 0.000 2.132 98 G HA2 -0.277 3.683 3.960 0.001 0.000 0.234 98 G HA3 -0.277 3.683 3.960 0.001 0.000 0.234 98 G C -0.365 174.327 174.900 -0.346 0.000 0.989 98 G CA -0.297 44.754 45.100 -0.082 0.000 0.676 98 G HN 0.380 nan 8.290 nan 0.000 0.522 99 Y N 1.278 121.595 120.300 0.028 0.000 2.584 99 Y HA 0.318 4.869 4.550 0.001 0.000 0.358 99 Y C 1.704 177.518 175.900 -0.144 0.000 1.028 99 Y CA -0.434 57.645 58.100 -0.034 0.000 1.148 99 Y CB -0.086 38.427 38.460 0.089 0.000 1.126 99 Y HN 0.461 nan 8.280 nan 0.000 0.658 100 H N -0.836 118.162 119.070 -0.120 0.000 2.422 100 H HA -0.165 4.391 4.556 0.001 0.000 0.298 100 H C 0.704 175.828 175.328 -0.340 0.000 1.098 100 H CA 1.735 57.563 56.048 -0.368 0.000 1.315 100 H CB 0.184 29.487 29.762 -0.766 0.000 1.382 100 H HN 0.471 nan 8.280 nan 0.000 0.523 101 Q N 0.662 120.035 119.800 -0.712 0.000 2.308 101 Q HA -0.111 4.229 4.340 0.001 0.000 0.209 101 Q C 0.886 176.501 176.000 -0.642 0.000 0.985 101 Q CA 1.333 56.748 55.803 -0.647 0.000 0.881 101 Q CB -0.044 28.196 28.738 -0.830 0.000 0.917 101 Q HN 0.748 nan 8.270 nan 0.000 0.443 102 H N -1.662 117.353 119.070 -0.092 0.000 2.512 102 H HA 0.265 4.821 4.556 0.001 0.000 0.276 102 H C -0.233 175.052 175.328 -0.071 0.000 1.126 102 H CA -0.191 55.817 56.048 -0.066 0.000 1.060 102 H CB 0.458 30.184 29.762 -0.059 0.000 1.646 102 H HN -0.012 nan 8.280 nan 0.000 0.571 103 S N 0.598 116.262 115.700 -0.060 0.000 2.457 103 S HA 0.299 4.770 4.470 0.001 0.000 0.294 103 S C 1.389 175.948 174.600 -0.068 0.000 1.201 103 S CA 0.799 58.951 58.200 -0.080 0.000 1.112 103 S CB -0.479 62.611 63.200 -0.184 0.000 1.018 103 S HN 0.811 nan 8.310 nan 0.000 0.511 104 G N 2.826 111.604 108.800 -0.037 0.000 2.159 104 G HA2 0.144 4.105 3.960 0.001 0.000 0.227 104 G HA3 0.144 4.105 3.960 0.001 0.000 0.227 104 G C 0.702 175.583 174.900 -0.031 0.000 0.986 104 G CA -0.206 44.870 45.100 -0.039 0.000 0.651 104 G HN 1.863 nan 8.290 nan 0.000 0.523 105 G N -1.259 107.535 108.800 -0.011 0.000 2.326 105 G HA2 0.452 4.413 3.960 0.001 0.000 0.413 105 G HA3 0.452 4.413 3.960 0.001 0.000 0.413 105 G C -0.205 174.719 174.900 0.040 0.000 1.444 105 G CA 0.057 45.153 45.100 -0.006 0.000 1.002 105 G HN 1.325 nan 8.290 nan 0.000 0.649 106 M N 1.888 121.506 119.600 0.031 0.000 2.327 106 M HA 0.315 4.796 4.480 0.001 0.000 0.353 106 M C 1.379 177.769 176.300 0.150 0.000 1.539 106 M CA 0.664 56.025 55.300 0.101 0.000 1.039 106 M CB -0.495 32.104 32.600 -0.002 0.000 1.967 106 M HN 1.077 nan 8.290 nan 0.000 0.459 107 L N 2.885 124.293 121.223 0.309 0.000 4.884 107 L HA -0.327 4.013 4.340 0.001 0.000 0.430 107 L C 1.290 178.161 176.870 0.001 0.000 1.087 107 L CA 0.543 55.443 54.840 0.100 0.000 1.033 107 L CB -2.571 39.571 42.059 0.139 0.000 2.030 107 L HN 0.896 nan 8.230 nan 0.000 0.762 108 A N 0.447 123.249 122.820 -0.030 0.000 2.121 108 A HA 0.165 4.486 4.320 0.001 0.000 0.218 108 A C 2.155 179.673 177.584 -0.110 0.000 1.154 108 A CA 1.710 53.694 52.037 -0.088 0.000 0.679 108 A CB -0.482 18.472 19.000 -0.076 0.000 0.795 108 A HN 0.603 nan 8.150 nan 0.000 0.458 109 G N -1.405 107.325 108.800 -0.117 0.000 2.470 109 G HA2 -0.147 3.813 3.960 0.001 0.000 0.220 109 G HA3 -0.147 3.813 3.960 0.001 0.000 0.220 109 G C 0.498 175.374 174.900 -0.039 0.000 1.121 109 G CA 0.627 45.652 45.100 -0.125 0.000 0.766 109 G HN 0.631 nan 8.290 nan 0.000 0.553 110 W N 2.203 123.374 121.300 -0.216 0.000 2.433 110 W HA 0.581 5.242 4.660 0.001 0.000 0.331 110 W C 0.759 177.155 176.519 -0.204 0.000 1.110 110 W CA -1.869 55.342 57.345 -0.223 0.000 1.450 110 W CB 0.497 29.812 29.460 -0.241 0.000 1.348 110 W HN -0.064 nan 8.180 nan 0.000 0.415 111 K N 3.907 124.236 120.400 -0.119 0.000 2.157 111 K HA 0.076 4.397 4.320 0.001 0.000 0.207 111 K C 0.310 176.791 176.600 -0.199 0.000 1.030 111 K CA 0.140 56.256 56.287 -0.285 0.000 0.965 111 K CB -0.345 31.959 32.500 -0.326 0.000 0.877 111 K HN -0.004 nan 8.250 nan 0.000 0.460 112 F N 3.153 123.129 119.950 0.043 0.000 2.512 112 F HA -0.183 4.345 4.527 0.001 0.000 0.406 112 F C 1.243 177.127 175.800 0.140 0.000 0.990 112 F CA 0.980 59.026 58.000 0.076 0.000 1.137 112 F CB -0.667 38.405 39.000 0.120 0.000 0.960 112 F HN 0.390 nan 8.300 nan 0.000 0.533 113 S N 0.584 116.414 115.700 0.216 0.000 3.261 113 S HA -0.351 4.120 4.470 0.001 0.000 0.287 113 S C 0.981 175.565 174.600 -0.028 0.000 1.281 113 S CA 1.265 59.550 58.200 0.143 0.000 1.053 113 S CB -1.871 61.498 63.200 0.282 0.000 1.251 113 S HN 0.764 nan 8.310 nan 0.000 0.659 114 N N 1.275 119.749 118.700 -0.377 0.000 2.765 114 N HA 0.260 5.001 4.740 0.001 0.000 0.230 114 N C 1.353 176.600 175.510 -0.437 0.000 1.022 114 N CA 1.847 54.436 53.050 -0.769 0.000 1.106 114 N CB 0.225 37.640 38.487 -1.787 0.000 1.527 114 N HN 1.062 nan 8.380 nan 0.000 0.507 115 V N -2.444 117.243 119.914 -0.378 0.000 3.380 115 V HA 0.514 4.634 4.120 0.001 0.000 0.307 115 V C 0.145 176.148 176.094 -0.152 0.000 1.434 115 V CA -0.274 61.887 62.300 -0.232 0.000 1.075 115 V CB -0.354 31.335 31.823 -0.224 0.000 0.954 115 V HN 0.236 nan 8.190 nan 0.000 0.444 116 K N 0.510 120.838 120.400 -0.120 0.000 2.523 116 K HA 0.371 4.692 4.320 0.001 0.000 0.257 116 K C -1.377 175.264 176.600 0.070 0.000 0.932 116 K CA -0.661 55.608 56.287 -0.031 0.000 0.812 116 K CB 2.169 34.638 32.500 -0.051 0.000 1.326 116 K HN 0.098 nan 8.250 nan 0.000 0.433 117 D N 2.003 122.457 120.400 0.091 0.000 2.586 117 D HA 0.030 4.671 4.640 0.001 0.000 0.234 117 D C 0.407 176.833 176.300 0.209 0.000 1.132 117 D CA 0.872 54.942 54.000 0.117 0.000 0.860 117 D CB 0.968 41.842 40.800 0.123 0.000 1.159 117 D HN 0.667 nan 8.370 nan 0.000 0.490 118 G N 0.532 109.370 108.800 0.064 0.000 2.509 118 G HA2 0.308 4.269 3.960 0.001 0.000 0.269 118 G HA3 0.308 4.269 3.960 0.001 0.000 0.269 118 G C 1.150 175.813 174.900 -0.396 0.000 1.416 118 G CA -0.099 44.916 45.100 -0.142 0.000 1.052 118 G HN 0.381 nan 8.290 nan 0.000 0.542 119 V N -3.235 116.228 119.914 -0.752 0.000 3.541 119 V HA 0.286 4.407 4.120 0.001 0.000 0.267 119 V C 0.893 176.954 176.094 -0.055 0.000 1.213 119 V CA 0.251 62.054 62.300 -0.828 0.000 1.149 119 V CB -0.738 30.358 31.823 -1.212 0.000 0.822 119 V HN 0.301 nan 8.190 nan 0.000 0.462 120 F N 3.226 123.127 119.950 -0.083 0.000 2.665 120 F HA 0.695 5.223 4.527 0.001 0.000 0.360 120 F C 1.131 177.041 175.800 0.183 0.000 1.168 120 F CA -0.458 57.577 58.000 0.058 0.000 1.366 120 F CB -0.847 38.157 39.000 0.006 0.000 1.592 120 F HN 0.328 nan 8.300 nan 0.000 0.610 121 G N -0.553 108.512 108.800 0.442 0.000 2.680 121 G HA2 0.321 4.282 3.960 0.001 0.000 0.290 121 G HA3 0.321 4.282 3.960 0.001 0.000 0.290 121 G C 0.456 175.562 174.900 0.343 0.000 1.355 121 G CA -0.544 44.779 45.100 0.371 0.000 0.903 121 G HN 0.177 nan 8.290 nan 0.000 0.474 122 E N -0.879 119.339 120.200 0.030 0.000 2.153 122 E HA -0.020 4.331 4.350 0.001 0.000 0.194 122 E C -0.313 175.933 176.600 -0.591 0.000 0.988 122 E CA 1.193 57.385 56.400 -0.347 0.000 0.811 122 E CB 0.012 29.375 29.700 -0.561 0.000 0.746 122 E HN 0.377 nan 8.360 nan 0.000 0.466 123 F N -0.994 119.061 119.950 0.175 0.000 2.629 123 F HA 0.436 4.963 4.527 0.001 0.000 0.316 123 F C -0.377 175.558 175.800 0.226 0.000 1.081 123 F CA -1.487 56.576 58.000 0.105 0.000 0.954 123 F CB 1.458 40.477 39.000 0.032 0.000 1.337 123 F HN -0.198 nan 8.300 nan 0.000 0.474 124 F N -1.351 118.784 119.950 0.308 0.000 2.664 124 F HA 0.567 5.095 4.527 0.001 0.000 0.317 124 F C -1.440 174.535 175.800 0.292 0.000 1.108 124 F CA -1.011 57.138 58.000 0.249 0.000 0.957 124 F CB 1.388 40.449 39.000 0.102 0.000 1.365 124 F HN 0.541 nan 8.300 nan 0.000 0.475 125 H N 1.205 120.572 119.070 0.494 0.000 2.476 125 H HA 0.663 5.220 4.556 0.001 0.000 0.328 125 H C -1.728 173.879 175.328 0.466 0.000 1.073 125 H CA -0.604 55.644 56.048 0.333 0.000 1.229 125 H CB 1.831 31.738 29.762 0.241 0.000 1.432 125 H HN 0.614 nan 8.280 nan 0.000 0.477 126 V N 7.325 127.327 119.914 0.148 0.000 2.357 126 V HA 0.093 4.213 4.120 0.001 0.000 0.284 126 V C 0.263 176.368 176.094 0.018 0.000 1.018 126 V CA -1.132 61.304 62.300 0.227 0.000 0.841 126 V CB 1.068 33.008 31.823 0.195 0.000 0.991 126 V HN 0.798 nan 8.190 nan 0.000 0.437 127 N N 3.430 122.239 118.700 0.182 0.000 2.518 127 N HA 0.044 4.784 4.740 0.001 0.000 0.266 127 N C 0.026 175.611 175.510 0.125 0.000 1.196 127 N CA -0.173 52.995 53.050 0.196 0.000 0.947 127 N CB 0.798 39.406 38.487 0.202 0.000 1.098 127 N HN 0.698 nan 8.380 nan 0.000 0.450 128 D N 0.046 120.534 120.400 0.146 0.000 3.082 128 D HA -0.184 4.457 4.640 0.001 0.000 0.234 128 D C 0.975 177.327 176.300 0.087 0.000 1.159 128 D CA 0.720 54.809 54.000 0.149 0.000 0.875 128 D CB -0.804 40.093 40.800 0.162 0.000 0.946 128 D HN 0.730 nan 8.370 nan 0.000 0.411 129 A N 2.096 124.950 122.820 0.057 0.000 1.892 129 A HA -0.244 4.076 4.320 0.001 0.000 0.218 129 A C 1.901 179.467 177.584 -0.031 0.000 1.188 129 A CA 1.984 53.983 52.037 -0.063 0.000 0.631 129 A CB -0.094 18.877 19.000 -0.048 0.000 0.822 129 A HN 0.476 nan 8.150 nan 0.000 0.447 130 D N -1.419 119.076 120.400 0.159 0.000 2.178 130 D HA -0.090 4.551 4.640 0.001 0.000 0.201 130 D C 1.707 178.055 176.300 0.081 0.000 0.980 130 D CA 1.325 55.474 54.000 0.249 0.000 0.842 130 D CB -0.159 40.748 40.800 0.178 0.000 0.948 130 D HN 0.377 nan 8.370 nan 0.000 0.472 131 M N -0.083 119.482 119.600 -0.058 0.000 2.501 131 M HA 0.083 4.563 4.480 0.001 0.000 0.261 131 M C 0.859 177.061 176.300 -0.162 0.000 1.129 131 M CA 0.731 55.852 55.300 -0.299 0.000 1.126 131 M CB 0.400 32.650 32.600 -0.583 0.000 1.359 131 M HN -0.180 nan 8.290 nan 0.000 0.471 132 N N -1.081 117.605 118.700 -0.025 0.000 2.181 132 N HA 0.302 5.043 4.740 0.001 0.000 0.207 132 N C -0.414 175.060 175.510 -0.060 0.000 1.182 132 N CA 0.194 53.270 53.050 0.043 0.000 0.893 132 N CB 0.976 39.538 38.487 0.124 0.000 1.032 132 N HN 0.246 nan 8.380 nan 0.000 0.513 133 L N 0.418 121.491 121.223 -0.249 0.000 2.334 133 L HA 0.764 5.104 4.340 0.001 0.000 0.270 133 L C -0.200 176.537 176.870 -0.223 0.000 1.018 133 L CA -0.911 53.659 54.840 -0.450 0.000 0.811 133 L CB 1.763 43.090 42.059 -1.221 0.000 1.271 133 L HN -0.129 nan 8.230 nan 0.000 0.443 134 A N 0.072 122.827 122.820 -0.108 0.000 2.422 134 A HA 0.569 4.890 4.320 0.001 0.000 0.302 134 A C -1.259 176.388 177.584 0.105 0.000 1.041 134 A CA -0.594 51.492 52.037 0.083 0.000 0.708 134 A CB 0.664 19.710 19.000 0.076 0.000 1.257 134 A HN 0.789 nan 8.150 nan 0.000 0.414 135 H N 0.461 119.712 119.070 0.301 0.000 2.848 135 H HA 0.307 4.863 4.556 0.001 0.000 0.341 135 H C -0.107 175.286 175.328 0.108 0.000 1.060 135 H CA 0.417 56.587 56.048 0.203 0.000 1.444 135 H CB 0.832 30.657 29.762 0.104 0.000 1.446 135 H HN 0.532 nan 8.280 nan 0.000 0.583 136 L N 6.267 127.622 121.223 0.220 0.000 2.257 136 L HA 0.392 4.733 4.340 0.001 0.000 0.290 136 L C -2.464 174.477 176.870 0.119 0.000 1.044 136 L CA -2.022 52.903 54.840 0.141 0.000 0.810 136 L CB 0.589 42.720 42.059 0.120 0.000 1.193 136 L HN 0.449 nan 8.230 nan 0.000 0.425 137 P HA 0.156 nan 4.420 nan 0.000 0.268 137 P C -0.080 177.291 177.300 0.118 0.000 1.205 137 P CA -0.252 62.905 63.100 0.094 0.000 0.771 137 P CB 0.475 32.245 31.700 0.118 0.000 0.858 138 K N 1.795 122.255 120.400 0.099 0.000 2.209 138 K HA -0.185 4.136 4.320 0.001 0.000 0.204 138 K C 0.728 177.377 176.600 0.081 0.000 1.048 138 K CA 1.538 57.873 56.287 0.080 0.000 0.940 138 K CB -0.282 32.255 32.500 0.061 0.000 0.729 138 K HN 0.257 nan 8.250 nan 0.000 0.451 139 E N 0.938 121.207 120.200 0.115 0.000 2.478 139 E HA 0.077 4.427 4.350 0.001 0.000 0.198 139 E C -0.023 176.601 176.600 0.040 0.000 1.046 139 E CA 0.473 56.913 56.400 0.066 0.000 0.870 139 E CB -0.026 29.701 29.700 0.045 0.000 0.818 139 E HN 0.393 nan 8.360 nan 0.000 0.527 140 I N 2.042 122.661 120.570 0.081 0.000 2.312 140 I HA 0.234 4.405 4.170 0.001 0.000 0.290 140 I C -2.187 173.959 176.117 0.048 0.000 1.008 140 I CA -2.654 58.684 61.300 0.062 0.000 1.226 140 I CB 1.153 39.210 38.000 0.096 0.000 1.371 140 I HN -0.225 nan 8.210 nan 0.000 0.468 141 P HA 0.058 nan 4.420 nan 0.000 0.266 141 P C 0.876 178.192 177.300 0.027 0.000 1.193 141 P CA -0.100 63.013 63.100 0.022 0.000 0.770 141 P CB 0.730 32.436 31.700 0.010 0.000 0.836 142 L N 1.715 122.952 121.223 0.023 0.000 2.042 142 L HA -0.211 4.129 4.340 0.001 0.000 0.210 142 L C 2.345 179.227 176.870 0.021 0.000 1.076 142 L CA 1.553 56.409 54.840 0.026 0.000 0.749 142 L CB -0.760 41.311 42.059 0.019 0.000 0.893 142 L HN 0.527 nan 8.230 nan 0.000 0.432 143 E N 0.770 120.976 120.200 0.010 0.000 2.150 143 E HA -0.191 4.160 4.350 0.001 0.000 0.193 143 E C 2.124 178.733 176.600 0.015 0.000 0.985 143 E CA 1.352 57.756 56.400 0.006 0.000 0.814 143 E CB -0.271 29.422 29.700 -0.011 0.000 0.752 143 E HN 0.451 nan 8.360 nan 0.000 0.466 144 A N 2.132 124.965 122.820 0.022 0.000 1.872 144 A HA 0.148 4.468 4.320 0.001 0.000 0.214 144 A C 2.554 180.158 177.584 0.032 0.000 1.187 144 A CA 1.898 53.956 52.037 0.034 0.000 0.614 144 A CB -0.746 18.280 19.000 0.043 0.000 0.826 144 A HN 0.362 nan 8.150 nan 0.000 0.442 145 A N -0.779 122.063 122.820 0.036 0.000 1.978 145 A HA -0.056 4.265 4.320 0.001 0.000 0.220 145 A C 2.166 179.769 177.584 0.031 0.000 1.170 145 A CA 1.754 53.815 52.037 0.041 0.000 0.636 145 A CB -0.891 18.141 19.000 0.053 0.000 0.810 145 A HN 0.762 nan 8.150 nan 0.000 0.448 146 V N -0.242 119.688 119.914 0.027 0.000 3.510 146 V HA -0.060 4.060 4.120 0.001 0.000 0.270 146 V C 1.756 177.855 176.094 0.010 0.000 1.201 146 V CA 1.139 63.453 62.300 0.023 0.000 1.166 146 V CB -0.520 31.320 31.823 0.027 0.000 0.825 146 V HN 0.508 nan 8.190 nan 0.000 0.484 147 M N -0.898 118.702 119.600 0.001 0.000 2.558 147 M HA 0.139 4.620 4.480 0.001 0.000 0.255 147 M C 1.782 178.050 176.300 -0.054 0.000 1.113 147 M CA 1.236 56.523 55.300 -0.022 0.000 1.097 147 M CB -0.466 32.123 32.600 -0.019 0.000 1.426 147 M HN 0.333 nan 8.290 nan 0.000 0.488 148 I N 0.489 121.037 120.570 -0.038 0.000 2.333 148 I HA -0.132 4.039 4.170 0.001 0.000 0.246 148 I C -0.550 175.540 176.117 -0.044 0.000 1.106 148 I CA 0.972 62.237 61.300 -0.058 0.000 1.411 148 I CB -1.737 36.252 38.000 -0.019 0.000 1.082 148 I HN 0.114 nan 8.210 nan 0.000 0.420 149 P HA -0.182 nan 4.420 nan 0.000 0.218 149 P C 0.713 178.012 177.300 -0.002 0.000 1.146 149 P CA 1.700 64.809 63.100 0.015 0.000 0.813 149 P CB 0.150 31.873 31.700 0.038 0.000 0.778 150 D N -3.953 116.432 120.400 -0.025 0.000 2.548 150 D HA 0.040 4.681 4.640 0.001 0.000 0.223 150 D C 1.667 177.929 176.300 -0.062 0.000 1.346 150 D CA 0.294 54.272 54.000 -0.037 0.000 1.318 150 D CB -0.659 40.150 40.800 0.015 0.000 1.669 150 D HN -0.295 nan 8.370 nan 0.000 0.416 151 M N 0.745 120.308 119.600 -0.062 0.000 2.065 151 M HA -0.066 4.415 4.480 0.001 0.000 0.259 151 M C 2.451 178.669 176.300 -0.138 0.000 1.069 151 M CA 1.406 56.660 55.300 -0.076 0.000 1.110 151 M CB -1.108 31.452 32.600 -0.067 0.000 1.328 151 M HN 0.233 nan 8.290 nan 0.000 0.405 152 M N -0.760 118.704 119.600 -0.227 0.000 2.099 152 M HA -0.178 4.303 4.480 0.001 0.000 0.262 152 M C 2.312 178.351 176.300 -0.437 0.000 1.067 152 M CA 1.934 56.938 55.300 -0.493 0.000 1.124 152 M CB -0.247 32.009 32.600 -0.573 0.000 1.353 152 M HN 0.359 nan 8.290 nan 0.000 0.410 153 T N -0.472 113.955 114.554 -0.212 0.000 2.788 153 T HA -0.139 4.211 4.350 0.001 0.000 0.268 153 T C 1.496 176.210 174.700 0.023 0.000 1.044 153 T CA 2.214 64.272 62.100 -0.070 0.000 1.139 153 T CB -0.301 68.539 68.868 -0.046 0.000 0.867 153 T HN 0.510 nan 8.240 nan 0.000 0.454 154 T N 0.470 115.020 114.554 -0.006 0.000 2.668 154 T HA 0.066 4.417 4.350 0.001 0.000 0.262 154 T C 2.056 176.832 174.700 0.126 0.000 1.045 154 T CA 1.334 63.464 62.100 0.050 0.000 1.152 154 T CB -1.115 67.749 68.868 -0.006 0.000 0.864 154 T HN 0.527 nan 8.240 nan 0.000 0.419 155 G N 0.979 109.835 108.800 0.094 0.000 2.476 155 G HA2 -0.192 3.769 3.960 0.001 0.000 0.218 155 G HA3 -0.192 3.769 3.960 0.001 0.000 0.218 155 G C 1.264 176.371 174.900 0.344 0.000 1.164 155 G CA 0.603 45.807 45.100 0.174 0.000 0.768 155 G HN 0.375 nan 8.290 nan 0.000 0.560 156 F N 0.323 120.302 119.950 0.050 0.000 2.234 156 F HA 0.079 4.607 4.527 0.001 0.000 0.299 156 F C 2.330 178.196 175.800 0.109 0.000 1.087 156 F CA 0.664 58.702 58.000 0.064 0.000 1.340 156 F CB -1.097 37.942 39.000 0.064 0.000 1.031 156 F HN 0.250 nan 8.300 nan 0.000 0.500 157 H N -0.158 119.038 119.070 0.210 0.000 2.421 157 H HA -0.037 4.520 4.556 0.001 0.000 0.298 157 H C 2.433 177.819 175.328 0.096 0.000 1.087 157 H CA 1.406 57.528 56.048 0.124 0.000 1.330 157 H CB -0.625 29.188 29.762 0.086 0.000 1.388 157 H HN 0.211 nan 8.280 nan 0.000 0.526 158 G N -0.285 108.581 108.800 0.111 0.000 2.440 158 G HA2 -0.269 3.692 3.960 0.001 0.000 0.218 158 G HA3 -0.269 3.692 3.960 0.001 0.000 0.218 158 G C 1.898 176.797 174.900 -0.002 0.000 1.154 158 G CA 0.981 46.099 45.100 0.030 0.000 0.767 158 G HN 0.578 nan 8.290 nan 0.000 0.552 159 A N 0.635 123.467 122.820 0.020 0.000 1.968 159 A HA 0.082 4.402 4.320 0.001 0.000 0.217 159 A C 2.153 179.716 177.584 -0.034 0.000 1.169 159 A CA 1.787 53.810 52.037 -0.023 0.000 0.638 159 A CB -0.261 18.693 19.000 -0.076 0.000 0.812 159 A HN 0.463 nan 8.150 nan 0.000 0.446 160 E N 0.052 120.239 120.200 -0.021 0.000 2.047 160 E HA -0.121 4.229 4.350 0.001 0.000 0.191 160 E C 1.887 178.444 176.600 -0.071 0.000 0.987 160 E CA 1.176 57.563 56.400 -0.022 0.000 0.799 160 E CB -0.315 29.417 29.700 0.053 0.000 0.752 160 E HN 0.599 nan 8.360 nan 0.000 0.449 161 L N 0.722 121.842 121.223 -0.172 0.000 2.131 161 L HA -0.165 4.176 4.340 0.001 0.000 0.210 161 L C 2.517 179.355 176.870 -0.054 0.000 1.092 161 L CA 0.829 55.583 54.840 -0.144 0.000 0.759 161 L CB -0.489 41.437 42.059 -0.222 0.000 0.903 161 L HN 0.153 nan 8.230 nan 0.000 0.435 162 A N -1.031 121.764 122.820 -0.042 0.000 2.125 162 A HA -0.233 4.088 4.320 0.001 0.000 0.219 162 A C 0.939 178.521 177.584 -0.003 0.000 1.156 162 A CA 1.031 53.061 52.037 -0.011 0.000 0.671 162 A CB -0.431 18.566 19.000 -0.006 0.000 0.794 162 A HN 0.536 nan 8.150 nan 0.000 0.459 163 D N -0.962 119.433 120.400 -0.009 0.000 2.735 163 D HA -0.152 4.489 4.640 0.001 0.000 0.235 163 D C -0.356 175.944 176.300 -0.001 0.000 1.175 163 D CA 0.544 54.544 54.000 -0.001 0.000 0.683 163 D CB -1.603 39.202 40.800 0.008 0.000 1.008 163 D HN 0.528 nan 8.370 nan 0.000 0.416 164 I N 1.113 121.678 120.570 -0.008 0.000 2.634 164 I HA 0.047 4.218 4.170 0.001 0.000 0.284 164 I C 1.318 177.431 176.117 -0.008 0.000 1.124 164 I CA 0.013 61.308 61.300 -0.009 0.000 1.417 164 I CB 0.641 38.630 38.000 -0.018 0.000 1.396 164 I HN 0.056 nan 8.210 nan 0.000 0.571 165 E N 5.860 126.057 120.200 -0.005 0.000 2.242 165 E HA 0.373 4.723 4.350 0.001 0.000 0.275 165 E C -0.734 175.861 176.600 -0.008 0.000 1.002 165 E CA -0.745 55.651 56.400 -0.006 0.000 0.841 165 E CB 1.183 30.881 29.700 -0.004 0.000 1.109 165 E HN 0.441 nan 8.360 nan 0.000 0.394 166 M N 1.630 121.225 119.600 -0.009 0.000 2.269 166 M HA 0.076 4.557 4.480 0.001 0.000 0.350 166 M C 1.049 177.345 176.300 -0.007 0.000 1.429 166 M CA 0.940 56.235 55.300 -0.010 0.000 1.063 166 M CB 0.014 32.608 32.600 -0.010 0.000 1.841 166 M HN 1.003 nan 8.290 nan 0.000 0.455 167 G N 1.717 110.513 108.800 -0.007 0.000 2.176 167 G HA2 -0.245 3.716 3.960 0.001 0.000 0.253 167 G HA3 -0.245 3.716 3.960 0.001 0.000 0.253 167 G C 0.188 175.087 174.900 -0.002 0.000 0.979 167 G CA 0.351 45.448 45.100 -0.004 0.000 0.641 167 G HN 0.852 nan 8.290 nan 0.000 0.530 168 S N -0.009 115.690 115.700 -0.001 0.000 2.632 168 S HA 0.708 5.178 4.470 0.001 0.000 0.267 168 S C 0.525 175.128 174.600 0.005 0.000 1.276 168 S CA 0.563 58.765 58.200 0.002 0.000 0.998 168 S CB 1.669 64.870 63.200 0.003 0.000 0.953 168 S HN 1.750 nan 8.310 nan 0.000 0.547 169 S N 0.252 115.958 115.700 0.010 0.000 2.525 169 S HA 0.680 5.151 4.470 0.001 0.000 0.278 169 S C -0.539 174.072 174.600 0.018 0.000 1.234 169 S CA -0.758 57.450 58.200 0.014 0.000 1.058 169 S CB 0.756 63.967 63.200 0.017 0.000 0.983 169 S HN 0.751 nan 8.310 nan 0.000 0.495 170 V N 2.716 122.641 119.914 0.019 0.000 2.709 170 V HA 0.515 4.635 4.120 0.001 0.000 0.308 170 V C -0.565 175.547 176.094 0.030 0.000 1.062 170 V CA -0.794 61.519 62.300 0.023 0.000 0.901 170 V CB 1.977 33.810 31.823 0.016 0.000 1.003 170 V HN 0.854 nan 8.190 nan 0.000 0.425 171 V N 4.587 124.522 119.914 0.036 0.000 2.459 171 V HA 0.521 4.642 4.120 0.001 0.000 0.295 171 V C -0.344 175.776 176.094 0.044 0.000 1.029 171 V CA -0.559 61.767 62.300 0.042 0.000 0.874 171 V CB 2.024 33.876 31.823 0.047 0.000 0.985 171 V HN 0.622 nan 8.190 nan 0.000 0.438 172 V N 6.409 126.351 119.914 0.047 0.000 2.357 172 V HA 0.464 4.584 4.120 0.001 0.000 0.284 172 V C -0.095 176.029 176.094 0.050 0.000 1.018 172 V CA -0.389 61.940 62.300 0.049 0.000 0.841 172 V CB 1.568 33.421 31.823 0.051 0.000 0.991 172 V HN 0.665 nan 8.190 nan 0.000 0.437 173 I N 4.838 125.437 120.570 0.048 0.000 2.301 173 I HA 0.652 4.823 4.170 0.001 0.000 0.292 173 I C 0.822 176.962 176.117 0.038 0.000 1.046 173 I CA 0.116 61.443 61.300 0.045 0.000 1.282 173 I CB 0.982 39.008 38.000 0.044 0.000 1.409 173 I HN 0.876 nan 8.210 nan 0.000 0.484 174 G N 6.776 115.599 108.800 0.038 0.000 3.355 174 G HA2 -0.110 3.850 3.960 0.001 0.000 0.686 174 G HA3 -0.110 3.850 3.960 0.001 0.000 0.686 174 G C -0.466 174.460 174.900 0.043 0.000 1.097 174 G CA -0.606 44.514 45.100 0.032 0.000 0.881 174 G HN 0.883 nan 8.290 nan 0.000 0.550 175 I N 0.861 121.460 120.570 0.048 0.000 3.283 175 I HA 0.567 4.737 4.170 0.001 0.000 0.342 175 I C 0.937 177.089 176.117 0.058 0.000 1.510 175 I CA -0.230 61.107 61.300 0.062 0.000 1.006 175 I CB 0.279 38.325 38.000 0.078 0.000 1.596 175 I HN 0.696 nan 8.210 nan 0.000 0.509 176 G N 0.889 109.713 108.800 0.039 0.000 2.570 176 G HA2 0.418 4.378 3.960 0.001 0.000 0.276 176 G HA3 0.418 4.378 3.960 0.001 0.000 0.276 176 G C 1.035 175.955 174.900 0.033 0.000 1.346 176 G CA 0.121 45.240 45.100 0.031 0.000 1.034 176 G HN 0.396 nan 8.290 nan 0.000 0.512 177 A N -1.296 121.537 122.820 0.022 0.000 1.903 177 A HA -0.101 4.219 4.320 0.001 0.000 0.219 177 A C 2.582 180.163 177.584 -0.005 0.000 1.191 177 A CA 2.411 54.456 52.037 0.013 0.000 0.638 177 A CB -0.909 18.093 19.000 0.003 0.000 0.823 177 A HN 0.569 nan 8.150 nan 0.000 0.451 178 V N -0.295 119.620 119.914 0.002 0.000 2.343 178 V HA -0.180 3.940 4.120 0.001 0.000 0.247 178 V C 2.785 178.894 176.094 0.025 0.000 1.051 178 V CA 2.047 64.352 62.300 0.008 0.000 1.036 178 V CB -1.381 30.451 31.823 0.016 0.000 0.654 178 V HN 0.652 nan 8.190 nan 0.000 0.451 179 G N -0.523 108.296 108.800 0.031 0.000 2.408 179 G HA2 -0.162 3.799 3.960 0.001 0.000 0.217 179 G HA3 -0.162 3.799 3.960 0.001 0.000 0.217 179 G C 1.577 176.505 174.900 0.046 0.000 1.150 179 G CA 0.676 45.803 45.100 0.044 0.000 0.776 179 G HN 0.464 nan 8.290 nan 0.000 0.542 180 L N 0.022 121.266 121.223 0.036 0.000 2.046 180 L HA -0.054 4.287 4.340 0.001 0.000 0.208 180 L C 3.012 179.813 176.870 -0.115 0.000 1.077 180 L CA 0.751 55.605 54.840 0.023 0.000 0.747 180 L CB -0.312 41.788 42.059 0.068 0.000 0.896 180 L HN 0.138 nan 8.230 nan 0.000 0.432 181 M N -0.460 119.078 119.600 -0.103 0.000 2.296 181 M HA -0.061 4.420 4.480 0.001 0.000 0.265 181 M C 2.348 178.754 176.300 0.178 0.000 1.064 181 M CA 1.495 56.793 55.300 -0.003 0.000 1.109 181 M CB -1.525 31.053 32.600 -0.037 0.000 1.396 181 M HN 0.312 nan 8.290 nan 0.000 0.430 182 G N 0.364 109.227 108.800 0.105 0.000 2.418 182 G HA2 -0.166 3.795 3.960 0.001 0.000 0.217 182 G HA3 -0.166 3.795 3.960 0.001 0.000 0.217 182 G C 1.677 176.609 174.900 0.054 0.000 1.158 182 G CA 0.456 45.612 45.100 0.095 0.000 0.771 182 G HN 0.413 nan 8.290 nan 0.000 0.545 183 I N 1.168 121.771 120.570 0.055 0.000 2.202 183 I HA -0.141 4.030 4.170 0.001 0.000 0.242 183 I C 3.288 179.431 176.117 0.043 0.000 1.091 183 I CA 0.956 62.292 61.300 0.059 0.000 1.368 183 I CB -0.169 37.895 38.000 0.107 0.000 1.058 183 I HN 0.248 nan 8.210 nan 0.000 0.410 184 A N 0.783 123.633 122.820 0.050 0.000 1.902 184 A HA -0.138 4.183 4.320 0.001 0.000 0.217 184 A C 2.419 179.917 177.584 -0.144 0.000 1.181 184 A CA 1.903 53.971 52.037 0.051 0.000 0.623 184 A CB -1.463 17.596 19.000 0.098 0.000 0.818 184 A HN 0.465 nan 8.150 nan 0.000 0.443 185 G N -0.559 108.077 108.800 -0.275 0.000 2.422 185 G HA2 -0.005 3.956 3.960 0.001 0.000 0.218 185 G HA3 -0.005 3.956 3.960 0.001 0.000 0.218 185 G C 1.717 176.425 174.900 -0.320 0.000 1.146 185 G CA 1.461 46.149 45.100 -0.686 0.000 0.769 185 G HN 0.807 nan 8.290 nan 0.000 0.547 186 A N 0.591 123.324 122.820 -0.144 0.000 1.930 186 A HA 0.027 4.347 4.320 0.001 0.000 0.217 186 A C 2.202 179.739 177.584 -0.079 0.000 1.175 186 A CA 2.065 54.052 52.037 -0.083 0.000 0.627 186 A CB -0.377 18.605 19.000 -0.029 0.000 0.815 186 A HN 0.413 nan 8.150 nan 0.000 0.443 187 K N -0.158 120.199 120.400 -0.071 0.000 2.057 187 K HA -0.008 4.313 4.320 0.001 0.000 0.206 187 K C 1.682 178.237 176.600 -0.075 0.000 1.050 187 K CA 1.205 57.462 56.287 -0.050 0.000 0.935 187 K CB -0.299 32.188 32.500 -0.021 0.000 0.715 187 K HN 0.457 nan 8.250 nan 0.000 0.439 188 L N 0.770 121.915 121.223 -0.131 0.000 2.456 188 L HA -0.072 4.268 4.340 0.001 0.000 0.224 188 L C 1.838 178.635 176.870 -0.121 0.000 1.148 188 L CA 0.467 55.224 54.840 -0.139 0.000 0.825 188 L CB -0.149 41.769 42.059 -0.235 0.000 0.937 188 L HN 0.101 nan 8.230 nan 0.000 0.450 189 R N 0.188 120.617 120.500 -0.118 0.000 2.334 189 R HA 0.188 4.528 4.340 0.001 0.000 0.220 189 R C 1.121 177.392 176.300 -0.049 0.000 0.917 189 R CA 0.626 56.679 56.100 -0.078 0.000 1.073 189 R CB 0.080 30.334 30.300 -0.077 0.000 1.056 189 R HN 0.344 nan 8.270 nan 0.000 0.506 190 G N 0.706 109.479 108.800 -0.046 0.000 2.132 190 G HA2 -0.285 3.676 3.960 0.001 0.000 0.228 190 G HA3 -0.285 3.676 3.960 0.001 0.000 0.228 190 G C 0.299 175.185 174.900 -0.023 0.000 1.000 190 G CA 0.144 45.226 45.100 -0.029 0.000 0.693 190 G HN 0.533 nan 8.290 nan 0.000 0.515 191 A N -0.263 122.542 122.820 -0.025 0.000 2.483 191 A HA 0.678 4.999 4.320 0.001 0.000 0.238 191 A C 1.606 179.184 177.584 -0.009 0.000 1.070 191 A CA 1.366 53.395 52.037 -0.014 0.000 0.770 191 A CB 0.327 19.320 19.000 -0.012 0.000 1.008 191 A HN 1.564 nan 8.150 nan 0.000 0.497 192 G N 0.817 109.615 108.800 -0.004 0.000 2.535 192 G HA2 0.138 4.099 3.960 0.001 0.000 0.210 192 G HA3 0.138 4.099 3.960 0.001 0.000 0.210 192 G C 0.739 175.640 174.900 0.003 0.000 1.593 192 G CA 0.065 45.164 45.100 -0.001 0.000 0.948 192 G HN 0.871 nan 8.290 nan 0.000 0.476 193 R N 0.214 120.718 120.500 0.007 0.000 2.401 193 R HA 0.373 4.713 4.340 0.001 0.000 0.299 193 R C -0.840 175.470 176.300 0.015 0.000 1.064 193 R CA 0.009 56.116 56.100 0.012 0.000 1.000 193 R CB 0.025 30.333 30.300 0.014 0.000 0.973 193 R HN 0.230 nan 8.270 nan 0.000 0.438 194 I N 6.481 127.063 120.570 0.020 0.000 2.389 194 I HA 0.293 4.463 4.170 0.001 0.000 0.288 194 I C -0.392 175.746 176.117 0.034 0.000 0.999 194 I CA -0.583 60.733 61.300 0.027 0.000 1.129 194 I CB 1.854 39.871 38.000 0.028 0.000 1.288 194 I HN 0.517 nan 8.210 nan 0.000 0.444 195 I N 5.676 126.268 120.570 0.037 0.000 2.354 195 I HA 0.409 4.579 4.170 0.001 0.000 0.286 195 I C 0.604 176.750 176.117 0.049 0.000 1.007 195 I CA -0.330 60.995 61.300 0.042 0.000 1.167 195 I CB 1.558 39.582 38.000 0.040 0.000 1.320 195 I HN 0.606 nan 8.210 nan 0.000 0.458 196 G N 5.387 114.220 108.800 0.054 0.000 2.367 196 G HA2 0.571 4.531 3.960 0.001 0.000 0.314 196 G HA3 0.571 4.531 3.960 0.001 0.000 0.314 196 G C -0.743 174.193 174.900 0.060 0.000 1.130 196 G CA -0.317 44.819 45.100 0.061 0.000 0.864 196 G HN 0.328 nan 8.290 nan 0.000 0.486 197 V N 1.571 121.521 119.914 0.061 0.000 2.350 197 V HA 0.874 4.995 4.120 0.001 0.000 0.285 197 V C 0.603 176.738 176.094 0.068 0.000 1.014 197 V CA 0.354 62.692 62.300 0.064 0.000 0.831 197 V CB 0.629 32.488 31.823 0.059 0.000 1.000 197 V HN 1.313 nan 8.190 nan 0.000 0.433 198 G N 2.955 111.803 108.800 0.080 0.000 2.349 198 G HA2 0.492 4.453 3.960 0.001 0.000 0.294 198 G HA3 0.492 4.453 3.960 0.001 0.000 0.294 198 G C -0.021 174.937 174.900 0.096 0.000 1.380 198 G CA 0.269 45.422 45.100 0.088 0.000 0.811 198 G HN 0.756 nan 8.290 nan 0.000 0.519 199 S N -1.419 114.343 115.700 0.102 0.000 2.691 199 S HA 0.249 4.720 4.470 0.001 0.000 0.258 199 S C 0.734 175.370 174.600 0.060 0.000 1.078 199 S CA -0.204 58.048 58.200 0.087 0.000 1.000 199 S CB 0.290 63.573 63.200 0.139 0.000 0.942 199 S HN 0.554 nan 8.310 nan 0.000 0.521 200 R N 2.913 123.449 120.500 0.061 0.000 2.473 200 R HA 0.198 4.539 4.340 0.001 0.000 0.315 200 R C -1.920 174.403 176.300 0.039 0.000 0.972 200 R CA -1.143 54.984 56.100 0.045 0.000 1.047 200 R CB 0.079 30.404 30.300 0.042 0.000 0.932 200 R HN 0.225 nan 8.270 nan 0.000 0.411 201 P HA -0.250 nan 4.420 nan 0.000 0.216 201 P C 1.077 178.391 177.300 0.023 0.000 1.154 201 P CA 1.245 64.358 63.100 0.022 0.000 0.865 201 P CB 0.098 31.806 31.700 0.013 0.000 0.789 202 I N -1.350 119.234 120.570 0.023 0.000 2.315 202 I HA -0.250 3.920 4.170 0.001 0.000 0.248 202 I C 1.719 177.857 176.117 0.035 0.000 1.117 202 I CA 1.441 62.752 61.300 0.019 0.000 1.404 202 I CB -0.225 37.787 38.000 0.019 0.000 1.071 202 I HN -0.010 nan 8.210 nan 0.000 0.419 203 C N -0.474 118.856 119.300 0.049 0.000 2.440 203 C HA -0.086 4.375 4.460 0.001 0.000 0.278 203 C C 2.733 177.771 174.990 0.080 0.000 1.295 203 C CA 0.448 59.508 59.018 0.071 0.000 1.738 203 C CB -0.795 26.985 27.740 0.066 0.000 1.987 203 C HN 0.408 nan 8.230 nan 0.000 0.492 204 V N 1.155 121.106 119.914 0.062 0.000 2.343 204 V HA -0.193 3.927 4.120 0.001 0.000 0.247 204 V C 2.595 178.727 176.094 0.064 0.000 1.051 204 V CA 1.912 64.249 62.300 0.061 0.000 1.036 204 V CB -0.572 31.277 31.823 0.043 0.000 0.654 204 V HN 0.511 nan 8.190 nan 0.000 0.451 205 E N 0.200 120.429 120.200 0.048 0.000 2.072 205 E HA -0.134 4.216 4.350 0.001 0.000 0.191 205 E C 2.358 178.999 176.600 0.067 0.000 0.985 205 E CA 1.440 57.865 56.400 0.042 0.000 0.801 205 E CB -0.554 29.151 29.700 0.008 0.000 0.750 205 E HN 0.567 nan 8.360 nan 0.000 0.452 206 A N 1.493 124.356 122.820 0.071 0.000 1.933 206 A HA -0.086 4.235 4.320 0.001 0.000 0.218 206 A C 2.414 180.150 177.584 0.253 0.000 1.175 206 A CA 1.972 54.079 52.037 0.118 0.000 0.628 206 A CB -0.523 18.574 19.000 0.162 0.000 0.814 206 A HN 0.260 nan 8.150 nan 0.000 0.444 207 A N -0.010 122.939 122.820 0.215 0.000 1.902 207 A HA -0.173 4.148 4.320 0.001 0.000 0.217 207 A C 2.105 179.799 177.584 0.183 0.000 1.181 207 A CA 1.815 53.984 52.037 0.221 0.000 0.623 207 A CB -0.440 18.646 19.000 0.145 0.000 0.818 207 A HN 0.553 nan 8.150 nan 0.000 0.443 208 K N -1.518 118.961 120.400 0.132 0.000 2.063 208 K HA -0.147 4.174 4.320 0.001 0.000 0.208 208 K C 1.800 178.452 176.600 0.087 0.000 1.048 208 K CA 1.622 57.965 56.287 0.094 0.000 0.928 208 K CB -0.391 32.154 32.500 0.075 0.000 0.713 208 K HN 0.507 nan 8.250 nan 0.000 0.442 209 F N 0.633 120.540 119.950 -0.071 0.000 2.126 209 F HA -0.227 4.301 4.527 0.001 0.000 0.299 209 F C 1.545 177.235 175.800 -0.184 0.000 1.096 209 F CA 1.455 59.342 58.000 -0.190 0.000 1.255 209 F CB -0.139 38.645 39.000 -0.360 0.000 0.997 209 F HN -0.006 nan 8.300 nan 0.000 0.479 210 Y N 0.158 120.510 120.300 0.087 0.000 2.529 210 Y HA 0.287 4.837 4.550 0.001 0.000 0.290 210 Y C 1.834 177.713 175.900 -0.034 0.000 1.177 210 Y CA 0.368 58.469 58.100 0.001 0.000 1.305 210 Y CB 0.008 38.553 38.460 0.142 0.000 1.047 210 Y HN 0.241 nan 8.280 nan 0.000 0.522 211 G N -1.131 107.714 108.800 0.075 0.000 2.227 211 G HA2 -0.062 3.898 3.960 0.001 0.000 0.168 211 G HA3 -0.062 3.898 3.960 0.001 0.000 0.168 211 G C 0.214 175.141 174.900 0.046 0.000 1.006 211 G CA -0.431 44.689 45.100 0.034 0.000 0.684 211 G HN 0.493 nan 8.290 nan 0.000 0.489 212 A N 0.911 123.775 122.820 0.072 0.000 2.520 212 A HA 0.586 4.907 4.320 0.001 0.000 0.245 212 A C 1.614 179.222 177.584 0.040 0.000 1.072 212 A CA 1.585 53.658 52.037 0.060 0.000 0.761 212 A CB 0.251 19.296 19.000 0.076 0.000 1.004 212 A HN 1.364 nan 8.150 nan 0.000 0.499 213 T N -0.694 113.879 114.554 0.031 0.000 3.057 213 T HA 0.228 4.579 4.350 0.001 0.000 0.254 213 T C -0.082 174.633 174.700 0.026 0.000 1.094 213 T CA 0.972 63.086 62.100 0.023 0.000 1.088 213 T CB -0.281 68.598 68.868 0.017 0.000 0.934 213 T HN 0.640 nan 8.240 nan 0.000 0.497 214 D N 0.194 120.613 120.400 0.032 0.000 2.859 214 D HA 0.549 5.190 4.640 0.001 0.000 0.223 214 D C -1.331 174.992 176.300 0.039 0.000 1.218 214 D CA -0.628 53.391 54.000 0.031 0.000 0.850 214 D CB 1.784 42.601 40.800 0.029 0.000 1.656 214 D HN 0.024 nan 8.370 nan 0.000 0.484 215 I N 2.159 122.751 120.570 0.036 0.000 2.447 215 I HA 0.336 4.507 4.170 0.001 0.000 0.287 215 I C -0.778 175.361 176.117 0.036 0.000 1.023 215 I CA -0.467 60.858 61.300 0.042 0.000 1.083 215 I CB 1.237 39.262 38.000 0.042 0.000 1.245 215 I HN 0.338 nan 8.210 nan 0.000 0.434 216 L N 5.956 127.205 121.223 0.043 0.000 2.325 216 L HA 0.510 4.851 4.340 0.001 0.000 0.278 216 L C 0.026 176.926 176.870 0.050 0.000 1.023 216 L CA -0.510 54.355 54.840 0.042 0.000 0.811 216 L CB 1.849 43.938 42.059 0.050 0.000 1.249 216 L HN 0.535 nan 8.230 nan 0.000 0.431 217 N N 1.231 119.947 118.700 0.028 0.000 2.296 217 N HA 0.107 4.848 4.740 0.001 0.000 0.294 217 N C 0.368 175.867 175.510 -0.018 0.000 1.033 217 N CA -0.542 52.515 53.050 0.012 0.000 0.839 217 N CB 1.592 40.042 38.487 -0.063 0.000 1.395 217 N HN 0.558 nan 8.380 nan 0.000 0.479 218 Y N 2.910 123.201 120.300 -0.016 0.000 2.315 218 Y HA -0.004 4.546 4.550 0.001 0.000 0.288 218 Y C 1.304 177.193 175.900 -0.018 0.000 1.154 218 Y CA 1.148 59.228 58.100 -0.032 0.000 1.229 218 Y CB -0.130 38.297 38.460 -0.054 0.000 0.980 218 Y HN 0.425 nan 8.280 nan 0.000 0.540 219 K N 0.487 120.366 120.400 -0.868 0.000 2.442 219 K HA -0.089 4.232 4.320 0.001 0.000 0.198 219 K C 0.565 177.028 176.600 -0.228 0.000 1.044 219 K CA 1.008 56.941 56.287 -0.591 0.000 0.948 219 K CB -0.176 31.977 32.500 -0.578 0.000 0.762 219 K HN 0.399 nan 8.250 nan 0.000 0.472 220 N N 0.425 119.035 118.700 -0.149 0.000 2.276 220 N HA 0.098 4.838 4.740 0.001 0.000 0.212 220 N C 0.091 175.595 175.510 -0.009 0.000 1.127 220 N CA 0.471 53.484 53.050 -0.061 0.000 0.834 220 N CB 1.310 39.771 38.487 -0.044 0.000 1.014 220 N HN 0.266 nan 8.380 nan 0.000 0.491 221 G N -0.275 108.531 108.800 0.010 0.000 2.381 221 G HA2 -0.163 3.798 3.960 0.001 0.000 0.672 221 G HA3 -0.163 3.798 3.960 0.001 0.000 0.672 221 G C -1.220 173.746 174.900 0.109 0.000 1.324 221 G CA -0.942 44.197 45.100 0.065 0.000 0.975 221 G HN 0.291 nan 8.290 nan 0.000 0.593 222 H N 1.053 120.156 119.070 0.055 0.000 2.964 222 H HA 0.131 4.687 4.556 0.001 0.000 0.328 222 H C 1.905 177.268 175.328 0.059 0.000 1.030 222 H CA 0.290 56.376 56.048 0.063 0.000 1.445 222 H CB 0.420 30.210 29.762 0.047 0.000 1.449 222 H HN 0.376 nan 8.280 nan 0.000 0.581 223 I N 5.679 126.305 120.570 0.094 0.000 2.151 223 I HA -0.312 3.859 4.170 0.001 0.000 0.243 223 I C 2.695 178.941 176.117 0.214 0.000 1.080 223 I CA 0.775 62.155 61.300 0.134 0.000 1.339 223 I CB -1.244 36.792 38.000 0.060 0.000 1.039 223 I HN 0.416 nan 8.210 nan 0.000 0.409 224 V N 1.367 121.505 119.914 0.374 0.000 2.252 224 V HA -0.306 3.814 4.120 0.001 0.000 0.249 224 V C 2.307 178.468 176.094 0.111 0.000 1.056 224 V CA 2.192 64.607 62.300 0.192 0.000 1.022 224 V CB -0.812 31.070 31.823 0.099 0.000 0.641 224 V HN 0.326 nan 8.190 nan 0.000 0.445 225 D N -0.328 120.139 120.400 0.112 0.000 2.116 225 D HA -0.220 4.421 4.640 0.001 0.000 0.193 225 D C 2.340 178.680 176.300 0.067 0.000 0.998 225 D CA 1.525 55.564 54.000 0.065 0.000 0.836 225 D CB -0.321 40.523 40.800 0.073 0.000 0.951 225 D HN 0.560 nan 8.370 nan 0.000 0.449 226 Q N 0.069 119.922 119.800 0.088 0.000 2.084 226 Q HA -0.087 4.253 4.340 0.001 0.000 0.202 226 Q C 2.451 178.484 176.000 0.055 0.000 0.978 226 Q CA 0.835 56.677 55.803 0.065 0.000 0.844 226 Q CB 0.025 28.802 28.738 0.065 0.000 0.898 226 Q HN 0.174 nan 8.270 nan 0.000 0.426 227 V N 0.767 120.720 119.914 0.065 0.000 2.343 227 V HA -0.269 3.851 4.120 0.001 0.000 0.247 227 V C 2.252 178.372 176.094 0.042 0.000 1.051 227 V CA 1.364 63.696 62.300 0.053 0.000 1.036 227 V CB -0.435 31.425 31.823 0.060 0.000 0.654 227 V HN 0.420 nan 8.190 nan 0.000 0.451 228 M N -0.203 119.422 119.600 0.041 0.000 2.149 228 M HA -0.185 4.296 4.480 0.001 0.000 0.261 228 M C 2.147 178.462 176.300 0.025 0.000 1.064 228 M CA 1.693 57.010 55.300 0.029 0.000 1.102 228 M CB -1.216 31.397 32.600 0.023 0.000 1.369 228 M HN 0.335 nan 8.290 nan 0.000 0.408 229 K N 0.475 120.891 120.400 0.028 0.000 2.025 229 K HA -0.082 4.239 4.320 0.001 0.000 0.207 229 K C 2.005 178.618 176.600 0.022 0.000 1.049 229 K CA 0.958 57.259 56.287 0.023 0.000 0.933 229 K CB -0.061 32.454 32.500 0.025 0.000 0.714 229 K HN 0.271 nan 8.250 nan 0.000 0.438 230 L N 0.634 121.872 121.223 0.025 0.000 2.191 230 L HA -0.126 4.214 4.340 0.001 0.000 0.212 230 L C 1.898 178.780 176.870 0.020 0.000 1.103 230 L CA 1.672 56.525 54.840 0.023 0.000 0.769 230 L CB -0.433 41.642 42.059 0.026 0.000 0.908 230 L HN 0.409 nan 8.230 nan 0.000 0.438 231 T N -4.825 109.741 114.554 0.021 0.000 3.174 231 T HA 0.056 4.407 4.350 0.001 0.000 0.269 231 T C 0.783 175.492 174.700 0.016 0.000 1.017 231 T CA -0.349 61.762 62.100 0.019 0.000 0.899 231 T CB -0.417 68.464 68.868 0.022 0.000 1.077 231 T HN 0.385 nan 8.240 nan 0.000 0.552 232 N N 1.281 119.990 118.700 0.015 0.000 2.699 232 N HA -0.270 4.471 4.740 0.001 0.000 0.256 232 N C 1.118 176.635 175.510 0.012 0.000 0.993 232 N CA 0.675 53.732 53.050 0.013 0.000 0.759 232 N CB -1.372 37.121 38.487 0.010 0.000 0.906 232 N HN 1.037 nan 8.380 nan 0.000 0.541 233 G N -0.321 108.488 108.800 0.014 0.000 2.205 233 G HA2 -0.343 3.618 3.960 0.001 0.000 0.261 233 G HA3 -0.343 3.618 3.960 0.001 0.000 0.261 233 G C 0.802 175.711 174.900 0.014 0.000 0.980 233 G CA 0.914 46.022 45.100 0.013 0.000 0.632 233 G HN 0.600 nan 8.290 nan 0.000 0.533 234 K N 0.404 120.813 120.400 0.015 0.000 2.314 234 K HA 0.452 4.773 4.320 0.001 0.000 0.198 234 K C 1.698 178.310 176.600 0.020 0.000 1.045 234 K CA 0.727 57.023 56.287 0.016 0.000 0.988 234 K CB 0.092 32.600 32.500 0.013 0.000 0.783 234 K HN 1.516 nan 8.250 nan 0.000 0.484 235 G N 0.945 109.759 108.800 0.024 0.000 2.750 235 G HA2 -0.239 3.721 3.960 0.001 0.000 0.228 235 G HA3 -0.239 3.721 3.960 0.001 0.000 0.228 235 G C -0.346 174.572 174.900 0.029 0.000 1.367 235 G CA -0.402 44.716 45.100 0.031 0.000 0.871 235 G HN 0.310 nan 8.290 nan 0.000 0.560 236 V N -3.323 116.612 119.914 0.034 0.000 3.019 236 V HA 0.787 4.908 4.120 0.001 0.000 0.317 236 V C 0.879 176.993 176.094 0.032 0.000 1.094 236 V CA 0.276 62.595 62.300 0.032 0.000 1.000 236 V CB 1.998 33.842 31.823 0.035 0.000 1.060 236 V HN 0.705 nan 8.190 nan 0.000 0.443 237 D N 0.672 121.088 120.400 0.027 0.000 2.183 237 D HA 0.060 4.701 4.640 0.001 0.000 0.203 237 D C 0.434 176.753 176.300 0.031 0.000 0.969 237 D CA 1.200 55.215 54.000 0.025 0.000 0.842 237 D CB 0.272 41.082 40.800 0.017 0.000 0.957 237 D HN 0.421 nan 8.370 nan 0.000 0.484 238 R N -0.024 120.495 120.500 0.032 0.000 2.698 238 R HA 0.524 4.865 4.340 0.001 0.000 0.275 238 R C -1.056 175.267 176.300 0.038 0.000 1.001 238 R CA -0.713 55.408 56.100 0.034 0.000 0.896 238 R CB 2.465 32.779 30.300 0.023 0.000 1.218 238 R HN -0.229 nan 8.270 nan 0.000 0.462 239 V N 3.475 123.415 119.914 0.044 0.000 2.638 239 V HA 0.555 4.676 4.120 0.001 0.000 0.306 239 V C 0.049 176.169 176.094 0.044 0.000 1.052 239 V CA -0.768 61.559 62.300 0.046 0.000 0.885 239 V CB 2.381 34.236 31.823 0.054 0.000 0.999 239 V HN 0.570 nan 8.190 nan 0.000 0.424 240 I N 4.934 125.529 120.570 0.042 0.000 2.339 240 I HA 0.448 4.619 4.170 0.001 0.000 0.290 240 I C -0.204 175.945 176.117 0.052 0.000 0.994 240 I CA -0.319 61.007 61.300 0.044 0.000 1.191 240 I CB 1.628 39.651 38.000 0.040 0.000 1.343 240 I HN 0.475 nan 8.210 nan 0.000 0.458 241 M N 5.972 125.609 119.600 0.061 0.000 2.063 241 M HA 0.392 4.872 4.480 0.001 0.000 0.348 241 M C 0.516 176.852 176.300 0.061 0.000 1.180 241 M CA -0.018 55.324 55.300 0.070 0.000 1.059 241 M CB 1.428 34.089 32.600 0.102 0.000 1.544 241 M HN 0.748 nan 8.290 nan 0.000 0.447 242 A N 2.752 125.597 122.820 0.042 0.000 2.508 242 A HA 0.710 5.031 4.320 0.001 0.000 0.250 242 A C 0.590 178.177 177.584 0.006 0.000 1.208 242 A CA 0.175 52.230 52.037 0.030 0.000 0.960 242 A CB 0.530 19.553 19.000 0.039 0.000 1.099 242 A HN 0.867 nan 8.150 nan 0.000 0.542 243 G N -2.566 106.230 108.800 -0.006 0.000 2.356 243 G HA2 0.629 4.590 3.960 0.001 0.000 0.294 243 G HA3 0.629 4.590 3.960 0.001 0.000 0.294 243 G C 0.010 174.894 174.900 -0.026 0.000 1.423 243 G CA 0.259 45.343 45.100 -0.026 0.000 0.806 243 G HN 1.936 nan 8.290 nan 0.000 0.527 244 G N -1.704 107.073 108.800 -0.038 0.000 2.710 244 G HA2 0.495 4.455 3.960 0.001 0.000 0.668 244 G HA3 0.495 4.455 3.960 0.001 0.000 0.668 244 G C 0.589 175.469 174.900 -0.033 0.000 1.320 244 G CA 0.336 45.413 45.100 -0.038 0.000 0.860 244 G HN 2.116 nan 8.290 nan 0.000 0.538 245 G N -1.243 107.545 108.800 -0.020 0.000 2.588 245 G HA2 0.592 4.552 3.960 0.001 0.000 0.278 245 G HA3 0.592 4.552 3.960 0.001 0.000 0.278 245 G C 1.558 176.512 174.900 0.091 0.000 1.307 245 G CA 1.017 46.125 45.100 0.013 0.000 1.016 245 G HN 2.187 nan 8.290 nan 0.000 0.503 246 S N -0.767 115.005 115.700 0.120 0.000 2.547 246 S HA -0.107 4.364 4.470 0.001 0.000 0.235 246 S C 1.727 176.340 174.600 0.021 0.000 0.980 246 S CA 1.497 59.752 58.200 0.092 0.000 0.941 246 S CB -0.187 63.007 63.200 -0.011 0.000 0.763 246 S HN 0.715 nan 8.310 nan 0.000 0.532 247 E N 2.213 122.423 120.200 0.017 0.000 2.418 247 E HA -0.131 4.220 4.350 0.001 0.000 0.197 247 E C 1.722 178.336 176.600 0.023 0.000 1.026 247 E CA 1.335 57.741 56.400 0.009 0.000 0.862 247 E CB -1.440 28.262 29.700 0.002 0.000 0.799 247 E HN 0.788 nan 8.360 nan 0.000 0.518 248 T N -0.276 114.300 114.554 0.036 0.000 2.833 248 T HA -0.164 4.187 4.350 0.001 0.000 0.269 248 T C 1.935 176.662 174.700 0.045 0.000 1.054 248 T CA 1.091 63.219 62.100 0.046 0.000 1.135 248 T CB -0.431 68.475 68.868 0.064 0.000 0.869 248 T HN 0.143 nan 8.240 nan 0.000 0.466 249 L N 1.695 122.933 121.223 0.025 0.000 2.012 249 L HA -0.001 4.340 4.340 0.001 0.000 0.210 249 L C 2.782 179.642 176.870 -0.016 0.000 1.073 249 L CA 2.211 57.041 54.840 -0.016 0.000 0.748 249 L CB -1.314 40.694 42.059 -0.084 0.000 0.891 249 L HN 0.397 nan 8.230 nan 0.000 0.431 250 S N -1.344 114.351 115.700 -0.008 0.000 2.368 250 S HA -0.242 4.229 4.470 0.001 0.000 0.225 250 S C 1.940 176.570 174.600 0.051 0.000 1.030 250 S CA 1.533 59.739 58.200 0.009 0.000 0.999 250 S CB -0.233 62.977 63.200 0.017 0.000 0.844 250 S HN 0.687 nan 8.310 nan 0.000 0.459 251 Q N 0.482 120.329 119.800 0.077 0.000 2.096 251 Q HA -0.059 4.281 4.340 0.001 0.000 0.204 251 Q C 2.561 178.613 176.000 0.086 0.000 0.982 251 Q CA 1.613 57.486 55.803 0.116 0.000 0.850 251 Q CB -0.442 28.366 28.738 0.117 0.000 0.901 251 Q HN 0.699 nan 8.270 nan 0.000 0.422 252 A N 0.371 123.230 122.820 0.065 0.000 1.877 252 A HA -0.146 4.175 4.320 0.001 0.000 0.216 252 A C 2.367 179.993 177.584 0.071 0.000 1.186 252 A CA 1.412 53.486 52.037 0.063 0.000 0.620 252 A CB -0.793 18.239 19.000 0.053 0.000 0.822 252 A HN 0.215 nan 8.150 nan 0.000 0.443 253 V N 0.353 120.306 119.914 0.064 0.000 2.287 253 V HA -0.302 3.819 4.120 0.001 0.000 0.248 253 V C 2.413 178.571 176.094 0.106 0.000 1.053 253 V CA 2.434 64.796 62.300 0.102 0.000 1.027 253 V CB -0.710 31.162 31.823 0.081 0.000 0.646 253 V HN 0.558 nan 8.190 nan 0.000 0.447 254 K N 0.129 120.577 120.400 0.080 0.000 2.211 254 K HA -0.102 4.219 4.320 0.001 0.000 0.203 254 K C 2.054 178.690 176.600 0.061 0.000 1.050 254 K CA 1.760 58.086 56.287 0.065 0.000 0.945 254 K CB -0.185 32.340 32.500 0.042 0.000 0.732 254 K HN 0.656 nan 8.250 nan 0.000 0.451 255 M N -0.259 119.383 119.600 0.069 0.000 2.501 255 M HA 0.080 4.560 4.480 0.001 0.000 0.261 255 M C 0.573 176.908 176.300 0.060 0.000 1.129 255 M CA 0.140 55.478 55.300 0.063 0.000 1.126 255 M CB 0.006 32.647 32.600 0.069 0.000 1.359 255 M HN -0.244 nan 8.290 nan 0.000 0.471 256 V N 0.853 120.808 119.914 0.069 0.000 2.732 256 V HA 0.354 4.474 4.120 0.001 0.000 0.297 256 V C 0.075 176.206 176.094 0.062 0.000 1.060 256 V CA -1.174 61.166 62.300 0.067 0.000 1.038 256 V CB 0.360 32.231 31.823 0.081 0.000 1.003 256 V HN 0.265 nan 8.190 nan 0.000 0.481 257 K N 2.927 123.357 120.400 0.050 0.000 2.319 257 K HA 0.281 4.602 4.320 0.001 0.000 0.265 257 K C -2.454 174.174 176.600 0.047 0.000 1.000 257 K CA -1.268 55.044 56.287 0.041 0.000 0.943 257 K CB -0.096 32.421 32.500 0.029 0.000 0.950 257 K HN 0.507 nan 8.250 nan 0.000 0.485 258 P HA -0.113 nan 4.420 nan 0.000 0.262 258 P C 0.594 177.918 177.300 0.041 0.000 1.182 258 P CA 1.077 64.199 63.100 0.037 0.000 0.761 258 P CB 0.398 32.112 31.700 0.024 0.000 0.795 259 G N 1.760 110.601 108.800 0.068 0.000 2.199 259 G HA2 -0.175 3.786 3.960 0.001 0.000 0.254 259 G HA3 -0.175 3.786 3.960 0.001 0.000 0.254 259 G C 0.665 175.595 174.900 0.050 0.000 0.982 259 G CA -0.097 45.033 45.100 0.050 0.000 0.632 259 G HN 0.883 nan 8.290 nan 0.000 0.529 260 G N -0.636 108.200 108.800 0.060 0.000 2.588 260 G HA2 0.610 4.570 3.960 0.001 0.000 0.278 260 G HA3 0.610 4.570 3.960 0.001 0.000 0.278 260 G C -0.151 174.796 174.900 0.078 0.000 1.307 260 G CA -0.241 44.895 45.100 0.060 0.000 1.016 260 G HN 0.790 nan 8.290 nan 0.000 0.503 261 I N -0.534 120.077 120.570 0.070 0.000 2.686 261 I HA 0.355 4.526 4.170 0.001 0.000 0.295 261 I C -0.813 175.345 176.117 0.068 0.000 1.114 261 I CA -0.542 60.803 61.300 0.074 0.000 1.038 261 I CB 2.547 40.578 38.000 0.053 0.000 1.238 261 I HN 0.187 nan 8.210 nan 0.000 0.420 262 I N 3.817 124.432 120.570 0.075 0.000 2.389 262 I HA 0.274 4.445 4.170 0.001 0.000 0.288 262 I C -0.147 175.998 176.117 0.047 0.000 0.999 262 I CA -0.335 61.001 61.300 0.061 0.000 1.129 262 I CB 1.922 39.959 38.000 0.063 0.000 1.288 262 I HN 0.442 nan 8.210 nan 0.000 0.444 263 S N 5.505 121.228 115.700 0.038 0.000 2.498 263 S HA 0.340 4.810 4.470 0.001 0.000 0.324 263 S C -0.564 174.063 174.600 0.045 0.000 1.071 263 S CA -0.633 57.583 58.200 0.026 0.000 1.113 263 S CB 0.423 63.626 63.200 0.004 0.000 0.976 263 S HN 0.639 nan 8.310 nan 0.000 0.462 264 N N 4.150 122.886 118.700 0.058 0.000 2.434 264 N HA 0.410 5.151 4.740 0.001 0.000 0.272 264 N C 0.723 176.295 175.510 0.104 0.000 1.040 264 N CA -0.478 52.632 53.050 0.100 0.000 0.956 264 N CB 0.626 39.196 38.487 0.138 0.000 1.108 264 N HN 0.726 nan 8.380 nan 0.000 0.481 265 I N -0.926 119.706 120.570 0.102 0.000 4.154 265 I HA 0.392 4.562 4.170 0.001 0.000 0.334 265 I C 0.183 176.352 176.117 0.087 0.000 1.371 265 I CA -0.575 60.786 61.300 0.102 0.000 1.110 265 I CB -0.234 37.823 38.000 0.095 0.000 1.085 265 I HN 0.306 nan 8.210 nan 0.000 0.398 266 N N 2.155 120.899 118.700 0.074 0.000 2.513 266 N HA -0.036 4.704 4.740 0.001 0.000 0.268 266 N C -0.874 174.639 175.510 0.005 0.000 1.180 266 N CA -0.015 53.018 53.050 -0.029 0.000 0.948 266 N CB 0.377 38.744 38.487 -0.201 0.000 1.083 266 N HN 0.237 nan 8.380 nan 0.000 0.455 267 Y N 4.732 124.955 120.300 -0.127 0.000 2.477 267 Y HA 0.214 4.765 4.550 0.001 0.000 0.349 267 Y C -0.395 175.406 175.900 -0.165 0.000 0.977 267 Y CA -0.900 57.176 58.100 -0.040 0.000 1.214 267 Y CB -0.382 38.117 38.460 0.065 0.000 1.124 267 Y HN 0.533 nan 8.280 nan 0.000 0.521 268 H N 5.239 124.409 119.070 0.167 0.000 2.969 268 H HA 0.202 4.759 4.556 0.001 0.000 0.269 268 H C 0.932 176.116 175.328 -0.241 0.000 1.223 268 H CA 0.411 56.407 56.048 -0.086 0.000 1.400 268 H CB 0.628 30.389 29.762 -0.002 0.000 1.500 268 H HN 0.984 nan 8.280 nan 0.000 0.486 269 G N 2.120 110.543 108.800 -0.629 0.000 3.141 269 G HA2 -0.013 3.947 3.960 0.001 0.000 0.218 269 G HA3 -0.013 3.947 3.960 0.001 0.000 0.218 269 G C 0.469 175.189 174.900 -0.300 0.000 1.170 269 G CA 0.021 44.724 45.100 -0.662 0.000 0.769 269 G HN 0.487 nan 8.290 nan 0.000 0.546 270 S N -1.275 114.312 115.700 -0.189 0.000 2.541 270 S HA 0.732 5.203 4.470 0.001 0.000 0.271 270 S C -0.292 174.283 174.600 -0.043 0.000 1.133 270 S CA 0.642 58.782 58.200 -0.101 0.000 0.876 270 S CB 1.464 64.595 63.200 -0.115 0.000 1.105 270 S HN 1.691 nan 8.310 nan 0.000 0.470 271 G N 2.924 111.706 108.800 -0.030 0.000 2.555 271 G HA2 0.015 3.975 3.960 0.001 0.000 0.686 271 G HA3 0.015 3.975 3.960 0.001 0.000 0.686 271 G C -0.566 174.322 174.900 -0.020 0.000 1.275 271 G CA 0.064 45.149 45.100 -0.024 0.000 0.871 271 G HN 0.617 nan 8.290 nan 0.000 0.603 272 D N 0.127 120.512 120.400 -0.024 0.000 2.324 272 D HA 0.488 5.129 4.640 0.001 0.000 0.212 272 D C 1.285 177.564 176.300 -0.035 0.000 0.984 272 D CA 1.772 55.757 54.000 -0.024 0.000 0.885 272 D CB 0.717 41.503 40.800 -0.022 0.000 0.996 272 D HN 1.302 nan 8.370 nan 0.000 0.505 273 A N -0.052 122.739 122.820 -0.048 0.000 2.589 273 A HA 0.563 4.884 4.320 0.001 0.000 0.296 273 A C -1.612 175.918 177.584 -0.091 0.000 1.062 273 A CA -0.631 51.365 52.037 -0.068 0.000 0.686 273 A CB 0.789 19.752 19.000 -0.062 0.000 1.282 273 A HN 0.001 nan 8.150 nan 0.000 0.404 274 L N 1.168 122.313 121.223 -0.130 0.000 2.334 274 L HA 0.617 4.958 4.340 0.001 0.000 0.277 274 L C -0.676 176.108 176.870 -0.143 0.000 1.075 274 L CA -0.186 54.557 54.840 -0.161 0.000 0.804 274 L CB 1.046 42.958 42.059 -0.245 0.000 1.174 274 L HN 0.579 nan 8.230 nan 0.000 0.438 275 L N 4.076 125.223 121.223 -0.126 0.000 2.296 275 L HA 0.506 4.847 4.340 0.001 0.000 0.286 275 L C -0.337 176.441 176.870 -0.152 0.000 1.023 275 L CA -0.047 54.721 54.840 -0.119 0.000 0.812 275 L CB 1.074 43.088 42.059 -0.075 0.000 1.223 275 L HN 0.364 nan 8.230 nan 0.000 0.421 276 I N 4.648 125.098 120.570 -0.201 0.000 2.304 276 I HA 0.312 4.483 4.170 0.001 0.000 0.291 276 I C -1.907 174.131 176.117 -0.131 0.000 1.018 276 I CA -1.803 59.336 61.300 -0.269 0.000 1.260 276 I CB 1.220 38.894 38.000 -0.543 0.000 1.390 276 I HN 0.411 nan 8.210 nan 0.000 0.475 277 P HA 0.146 nan 4.420 nan 0.000 0.271 277 P C 0.445 177.794 177.300 0.081 0.000 1.226 277 P CA -0.264 62.843 63.100 0.011 0.000 0.765 277 P CB 0.896 32.613 31.700 0.028 0.000 0.835 278 R N 2.722 123.269 120.500 0.079 0.000 2.070 278 R HA -0.108 4.233 4.340 0.001 0.000 0.232 278 R C 1.612 177.998 176.300 0.143 0.000 1.138 278 R CA 1.698 57.876 56.100 0.130 0.000 0.936 278 R CB -0.697 29.652 30.300 0.081 0.000 0.839 278 R HN 0.220 nan 8.270 nan 0.000 0.429 279 V N 1.215 121.181 119.914 0.087 0.000 2.287 279 V HA -0.223 3.898 4.120 0.001 0.000 0.248 279 V C 1.862 178.006 176.094 0.083 0.000 1.053 279 V CA 2.136 64.475 62.300 0.066 0.000 1.027 279 V CB -0.488 31.358 31.823 0.039 0.000 0.646 279 V HN 0.387 nan 8.190 nan 0.000 0.447 280 E N -1.679 118.582 120.200 0.102 0.000 2.347 280 E HA -0.156 4.195 4.350 0.001 0.000 0.196 280 E C 1.402 178.116 176.600 0.190 0.000 1.008 280 E CA 0.415 56.881 56.400 0.110 0.000 0.852 280 E CB -0.159 29.596 29.700 0.091 0.000 0.783 280 E HN 0.761 nan 8.360 nan 0.000 0.505 281 W N 0.802 122.098 121.300 -0.007 0.000 3.391 281 W HA 0.290 4.951 4.660 0.001 0.000 0.372 281 W C 0.857 177.366 176.519 -0.017 0.000 1.171 281 W CA 0.348 57.687 57.345 -0.010 0.000 1.862 281 W CB -0.196 29.255 29.460 -0.015 0.000 1.048 281 W HN 0.108 nan 8.180 nan 0.000 0.726 282 G N 1.002 109.799 108.800 -0.005 0.000 2.321 282 G HA2 -0.365 3.596 3.960 0.001 0.000 0.287 282 G HA3 -0.365 3.596 3.960 0.001 0.000 0.287 282 G C 0.825 175.666 174.900 -0.098 0.000 1.018 282 G CA 0.119 45.165 45.100 -0.090 0.000 0.855 282 G HN 0.598 nan 8.290 nan 0.000 0.507 283 C N -2.458 116.849 119.300 0.012 0.000 4.184 283 C HA -0.003 4.458 4.460 0.001 0.000 0.295 283 C C 2.309 177.284 174.990 -0.026 0.000 1.477 283 C CA 1.665 60.707 59.018 0.040 0.000 2.037 283 C CB -1.782 25.964 27.740 0.010 0.000 1.282 283 C HN 2.723 nan 8.230 nan 0.000 0.783 284 G N -1.965 106.711 108.800 -0.207 0.000 2.163 284 G HA2 -0.230 3.730 3.960 0.001 0.000 0.213 284 G HA3 -0.230 3.730 3.960 0.001 0.000 0.213 284 G C 0.136 174.607 174.900 -0.715 0.000 0.991 284 G CA 0.351 45.110 45.100 -0.569 0.000 0.653 284 G HN 0.633 nan 8.290 nan 0.000 0.518 285 M N -0.061 119.184 119.600 -0.592 0.000 2.410 285 M HA 0.423 4.904 4.480 0.001 0.000 0.376 285 M C 1.764 177.797 176.300 -0.446 0.000 1.051 285 M CA 0.640 55.654 55.300 -0.476 0.000 0.949 285 M CB 1.105 33.545 32.600 -0.266 0.000 1.577 285 M HN 0.372 nan 8.290 nan 0.000 0.560 286 A N -1.022 121.492 122.820 -0.510 0.000 2.238 286 A HA 0.054 4.374 4.320 0.001 0.000 0.208 286 A C 0.301 177.799 177.584 -0.142 0.000 1.177 286 A CA 0.468 52.340 52.037 -0.275 0.000 0.804 286 A CB -0.841 18.018 19.000 -0.234 0.000 0.823 286 A HN 0.723 nan 8.150 nan 0.000 0.482 287 H N -0.926 117.986 119.070 -0.263 0.000 2.741 287 H HA -0.150 4.407 4.556 0.001 0.000 0.305 287 H C -0.263 175.023 175.328 -0.071 0.000 1.169 287 H CA 1.262 57.222 56.048 -0.146 0.000 1.144 287 H CB -1.555 28.155 29.762 -0.087 0.000 1.397 287 H HN 0.540 nan 8.280 nan 0.000 0.409 288 K N 1.410 121.797 120.400 -0.022 0.000 2.244 288 K HA 0.186 4.507 4.320 0.001 0.000 0.263 288 K C 0.005 176.804 176.600 0.331 0.000 1.103 288 K CA -0.251 56.141 56.287 0.174 0.000 0.966 288 K CB 0.936 33.597 32.500 0.269 0.000 1.429 288 K HN 0.127 nan 8.250 nan 0.000 0.434 289 T N 3.317 117.999 114.554 0.213 0.000 2.901 289 T HA 0.200 4.551 4.350 0.001 0.000 0.301 289 T C 0.478 175.285 174.700 0.180 0.000 1.012 289 T CA 0.039 62.260 62.100 0.203 0.000 1.135 289 T CB 0.400 69.346 68.868 0.130 0.000 0.936 289 T HN 0.326 nan 8.240 nan 0.000 0.539 290 I N 3.905 124.571 120.570 0.160 0.000 2.355 290 I HA 0.372 4.543 4.170 0.001 0.000 0.288 290 I C 0.314 176.460 176.117 0.048 0.000 0.999 290 I CA -0.694 60.650 61.300 0.073 0.000 1.163 290 I CB 1.123 39.120 38.000 -0.005 0.000 1.316 290 I HN 0.388 nan 8.210 nan 0.000 0.454 291 K N 4.119 124.542 120.400 0.040 0.000 2.221 291 K HA 0.864 5.185 4.320 0.001 0.000 0.243 291 K C -0.214 176.405 176.600 0.032 0.000 0.968 291 K CA -0.935 55.372 56.287 0.033 0.000 0.846 291 K CB 2.421 34.937 32.500 0.026 0.000 1.141 291 K HN 0.761 nan 8.250 nan 0.000 0.434 292 G N 0.088 108.914 108.800 0.044 0.000 2.552 292 G HA2 0.525 4.486 3.960 0.001 0.000 0.288 292 G HA3 0.525 4.486 3.960 0.001 0.000 0.288 292 G C -1.199 173.769 174.900 0.113 0.000 1.358 292 G CA -0.607 44.537 45.100 0.072 0.000 1.305 292 G HN 0.660 nan 8.290 nan 0.000 0.602 293 G N 0.936 109.833 108.800 0.161 0.000 2.701 293 G HA2 0.637 4.598 3.960 0.001 0.000 0.300 293 G HA3 0.637 4.598 3.960 0.001 0.000 0.300 293 G C -0.700 174.343 174.900 0.238 0.000 1.410 293 G CA -0.834 44.422 45.100 0.260 0.000 1.014 293 G HN 0.957 nan 8.290 nan 0.000 0.509 294 L N 2.796 124.095 121.223 0.127 0.000 2.514 294 L HA 0.310 4.651 4.340 0.001 0.000 0.280 294 L C 1.436 178.228 176.870 -0.129 0.000 1.223 294 L CA -0.693 54.128 54.840 -0.032 0.000 0.864 294 L CB 0.043 42.034 42.059 -0.114 0.000 1.118 294 L HN 0.792 nan 8.230 nan 0.000 0.494 295 C N 4.179 123.378 119.300 -0.168 0.000 2.665 295 C HA 0.325 4.785 4.460 0.001 0.000 0.416 295 C C -1.962 172.841 174.990 -0.313 0.000 1.305 295 C CA -1.439 57.422 59.018 -0.263 0.000 1.903 295 C CB -0.736 26.917 27.740 -0.144 0.000 2.704 295 C HN 0.744 nan 8.230 nan 0.000 0.629 296 P HA 0.461 nan 4.420 nan 0.000 0.269 296 P C 0.491 177.857 177.300 0.109 0.000 1.215 296 P CA 0.796 63.874 63.100 -0.037 0.000 0.780 296 P CB 0.583 32.286 31.700 0.005 0.000 0.898 297 G N -0.173 108.811 108.800 0.308 0.000 3.247 297 G HA2 0.675 4.636 3.960 0.001 0.000 0.226 297 G HA3 0.675 4.636 3.960 0.001 0.000 0.226 297 G C -0.214 174.707 174.900 0.034 0.000 1.220 297 G CA -0.481 44.680 45.100 0.102 0.000 0.875 297 G HN 0.793 nan 8.290 nan 0.000 0.606 298 G N -1.095 107.753 108.800 0.080 0.000 2.860 298 G HA2 -0.148 3.812 3.960 0.001 0.000 0.553 298 G HA3 -0.148 3.812 3.960 0.001 0.000 0.553 298 G C 0.859 175.802 174.900 0.071 0.000 1.439 298 G CA 0.760 45.962 45.100 0.171 0.000 0.879 298 G HN 0.936 nan 8.290 nan 0.000 0.545 299 R N -0.195 120.312 120.500 0.012 0.000 2.073 299 R HA -0.044 4.297 4.340 0.001 0.000 0.234 299 R C 2.766 179.068 176.300 0.004 0.000 1.134 299 R CA 2.230 58.327 56.100 -0.005 0.000 0.952 299 R CB -0.396 29.887 30.300 -0.029 0.000 0.850 299 R HN 0.716 nan 8.270 nan 0.000 0.433 300 L N 1.302 122.507 121.223 -0.030 0.000 2.013 300 L HA -0.192 4.149 4.340 0.001 0.000 0.212 300 L C 2.500 179.396 176.870 0.043 0.000 1.073 300 L CA 1.999 56.840 54.840 0.001 0.000 0.753 300 L CB -0.724 41.327 42.059 -0.015 0.000 0.890 300 L HN 0.153 nan 8.230 nan 0.000 0.432 301 R N -0.812 119.722 120.500 0.056 0.000 2.083 301 R HA -0.165 4.175 4.340 0.001 0.000 0.237 301 R C 2.096 178.435 176.300 0.064 0.000 1.137 301 R CA 2.062 58.207 56.100 0.075 0.000 0.951 301 R CB -0.537 29.812 30.300 0.082 0.000 0.851 301 R HN 0.318 nan 8.270 nan 0.000 0.434 302 M N 0.539 120.171 119.600 0.053 0.000 2.080 302 M HA -0.133 4.348 4.480 0.001 0.000 0.260 302 M C 1.982 178.319 176.300 0.060 0.000 1.068 302 M CA 1.781 57.112 55.300 0.051 0.000 1.109 302 M CB -1.032 31.597 32.600 0.048 0.000 1.342 302 M HN 0.257 nan 8.290 nan 0.000 0.405 303 E N -0.584 119.653 120.200 0.062 0.000 2.110 303 E HA -0.191 4.160 4.350 0.001 0.000 0.193 303 E C 2.227 178.874 176.600 0.079 0.000 0.988 303 E CA 0.973 57.413 56.400 0.065 0.000 0.804 303 E CB -0.053 29.681 29.700 0.057 0.000 0.745 303 E HN 0.348 nan 8.360 nan 0.000 0.458 304 R N 0.486 121.037 120.500 0.086 0.000 2.066 304 R HA -0.047 4.294 4.340 0.001 0.000 0.232 304 R C 2.308 178.691 176.300 0.137 0.000 1.131 304 R CA 0.895 57.063 56.100 0.113 0.000 0.955 304 R CB -0.214 30.155 30.300 0.115 0.000 0.851 304 R HN 0.132 nan 8.270 nan 0.000 0.432 305 L N -0.084 121.207 121.223 0.114 0.000 2.083 305 L HA -0.176 4.165 4.340 0.001 0.000 0.209 305 L C 2.214 179.148 176.870 0.106 0.000 1.083 305 L CA 1.236 56.135 54.840 0.098 0.000 0.752 305 L CB -0.463 41.603 42.059 0.012 0.000 0.899 305 L HN 0.218 nan 8.230 nan 0.000 0.433 306 I N 0.032 120.660 120.570 0.096 0.000 2.208 306 I HA -0.317 3.853 4.170 0.001 0.000 0.245 306 I C 2.088 178.294 176.117 0.148 0.000 1.097 306 I CA 1.346 62.709 61.300 0.104 0.000 1.363 306 I CB -0.318 37.728 38.000 0.076 0.000 1.051 306 I HN 0.244 nan 8.210 nan 0.000 0.413 307 D N 0.670 121.166 120.400 0.160 0.000 2.123 307 D HA -0.151 4.490 4.640 0.001 0.000 0.196 307 D C 2.303 178.817 176.300 0.356 0.000 0.992 307 D CA 1.187 55.345 54.000 0.263 0.000 0.833 307 D CB -0.223 40.754 40.800 0.296 0.000 0.954 307 D HN 0.251 nan 8.370 nan 0.000 0.455 308 L N -0.110 121.280 121.223 0.278 0.000 2.046 308 L HA -0.156 4.185 4.340 0.001 0.000 0.208 308 L C 2.421 179.436 176.870 0.242 0.000 1.077 308 L CA 0.652 55.659 54.840 0.278 0.000 0.747 308 L CB -0.387 41.850 42.059 0.296 0.000 0.896 308 L HN 0.000 nan 8.230 nan 0.000 0.432 309 V N -0.669 119.362 119.914 0.195 0.000 2.307 309 V HA -0.297 3.824 4.120 0.001 0.000 0.245 309 V C 2.218 178.386 176.094 0.124 0.000 1.045 309 V CA 1.791 64.180 62.300 0.150 0.000 1.024 309 V CB -0.600 31.293 31.823 0.117 0.000 0.651 309 V HN 0.302 nan 8.190 nan 0.000 0.449 310 F N 0.200 120.130 119.950 -0.033 0.000 2.134 310 F HA -0.208 4.320 4.527 0.001 0.000 0.299 310 F C 1.951 177.608 175.800 -0.238 0.000 1.097 310 F CA 1.696 59.581 58.000 -0.192 0.000 1.264 310 F CB -0.197 38.584 39.000 -0.365 0.000 1.001 310 F HN 0.202 nan 8.300 nan 0.000 0.479 311 Y N 0.911 121.341 120.300 0.217 0.000 2.462 311 Y HA 0.188 4.739 4.550 0.001 0.000 0.293 311 Y C 0.674 176.605 175.900 0.052 0.000 1.195 311 Y CA -0.250 57.921 58.100 0.117 0.000 1.276 311 Y CB -0.785 37.784 38.460 0.181 0.000 1.082 311 Y HN 0.029 nan 8.280 nan 0.000 0.514 312 K N -0.635 119.844 120.400 0.132 0.000 3.192 312 K HA -0.232 4.088 4.320 0.001 0.000 0.278 312 K C 0.733 177.410 176.600 0.129 0.000 1.164 312 K CA 0.165 56.511 56.287 0.099 0.000 0.816 312 K CB -0.823 31.708 32.500 0.052 0.000 1.256 312 K HN 0.221 nan 8.250 nan 0.000 0.497 313 R N 0.129 120.731 120.500 0.170 0.000 2.153 313 R HA 0.096 4.436 4.340 0.001 0.000 0.218 313 R C 1.143 177.544 176.300 0.167 0.000 1.072 313 R CA 0.814 57.006 56.100 0.154 0.000 0.990 313 R CB 0.092 30.495 30.300 0.172 0.000 0.889 313 R HN 0.264 nan 8.270 nan 0.000 0.452 314 V N 0.819 120.861 119.914 0.213 0.000 2.971 314 V HA 0.344 4.465 4.120 0.001 0.000 0.309 314 V C -1.878 174.376 176.094 0.266 0.000 1.130 314 V CA -1.002 61.461 62.300 0.272 0.000 0.964 314 V CB 2.683 34.724 31.823 0.363 0.000 1.029 314 V HN 0.025 nan 8.190 nan 0.000 0.427 315 D N 6.334 126.958 120.400 0.372 0.000 2.462 315 D HA 0.533 5.174 4.640 0.001 0.000 0.249 315 D C -1.971 174.590 176.300 0.435 0.000 1.117 315 D CA -2.048 52.157 54.000 0.343 0.000 0.900 315 D CB 2.098 43.108 40.800 0.350 0.000 1.039 315 D HN 0.394 nan 8.370 nan 0.000 0.516 316 P HA -0.039 nan 4.420 nan 0.000 0.242 316 P C 1.174 178.584 177.300 0.183 0.000 1.197 316 P CA 0.356 63.589 63.100 0.221 0.000 0.765 316 P CB 0.071 31.815 31.700 0.074 0.000 0.936 317 S N -0.123 115.661 115.700 0.141 0.000 2.442 317 S HA -0.096 4.374 4.470 0.001 0.000 0.236 317 S C 1.667 176.279 174.600 0.021 0.000 1.007 317 S CA 0.736 58.969 58.200 0.056 0.000 0.965 317 S CB -0.741 62.471 63.200 0.019 0.000 0.773 317 S HN -0.008 nan 8.310 nan 0.000 0.504 318 K N 1.446 121.868 120.400 0.037 0.000 2.504 318 K HA 0.274 4.594 4.320 0.001 0.000 0.195 318 K C 1.614 178.252 176.600 0.064 0.000 1.036 318 K CA 0.269 56.494 56.287 -0.103 0.000 0.984 318 K CB -0.686 31.513 32.500 -0.502 0.000 0.788 318 K HN 0.478 nan 8.250 nan 0.000 0.488 319 L N 0.470 121.792 121.223 0.164 0.000 2.395 319 L HA -0.012 4.329 4.340 0.001 0.000 0.218 319 L C 0.454 177.360 176.870 0.059 0.000 1.130 319 L CA 0.246 55.162 54.840 0.126 0.000 0.826 319 L CB 0.019 42.134 42.059 0.094 0.000 0.941 319 L HN -0.229 nan 8.230 nan 0.000 0.451 320 V N 0.459 120.390 119.914 0.028 0.000 2.334 320 V HA 0.060 4.180 4.120 0.001 0.000 0.267 320 V C 1.247 177.329 176.094 -0.020 0.000 1.040 320 V CA 0.235 62.539 62.300 0.007 0.000 0.866 320 V CB 0.887 32.704 31.823 -0.010 0.000 1.019 320 V HN 0.337 nan 8.190 nan 0.000 0.468 321 T N 0.527 115.099 114.554 0.030 0.000 3.037 321 T HA 0.143 4.493 4.350 0.001 0.000 0.252 321 T C 0.430 175.012 174.700 -0.197 0.000 1.073 321 T CA 0.428 62.517 62.100 -0.019 0.000 1.091 321 T CB -0.001 68.940 68.868 0.122 0.000 0.935 321 T HN 0.611 nan 8.240 nan 0.000 0.488 322 H N 0.069 119.021 119.070 -0.195 0.000 2.744 322 H HA 0.672 5.229 4.556 0.001 0.000 0.339 322 H C -1.397 173.627 175.328 -0.505 0.000 1.004 322 H CA -0.802 55.010 56.048 -0.394 0.000 1.257 322 H CB 1.904 31.419 29.762 -0.412 0.000 1.552 322 H HN 0.006 nan 8.280 nan 0.000 0.522 323 V N 5.108 124.734 119.914 -0.479 0.000 2.378 323 V HA 0.347 4.467 4.120 0.001 0.000 0.288 323 V C -0.627 175.181 176.094 -0.477 0.000 1.016 323 V CA -0.583 61.497 62.300 -0.366 0.000 0.840 323 V CB -0.021 31.688 31.823 -0.190 0.000 0.994 323 V HN 0.504 nan 8.190 nan 0.000 0.431 324 F N 3.476 123.420 119.950 -0.010 0.000 2.509 324 F HA 0.743 5.270 4.527 0.001 0.000 0.334 324 F C 0.683 176.453 175.800 -0.049 0.000 1.060 324 F CA -1.005 56.979 58.000 -0.027 0.000 0.997 324 F CB 1.318 40.296 39.000 -0.036 0.000 1.271 324 F HN 0.247 nan 8.300 nan 0.000 0.488 325 R N 0.121 120.720 120.500 0.166 0.000 2.686 325 R HA 0.693 5.034 4.340 0.001 0.000 0.286 325 R C -0.742 175.565 176.300 0.011 0.000 0.969 325 R CA -1.023 55.105 56.100 0.046 0.000 0.898 325 R CB 1.948 32.261 30.300 0.022 0.000 1.183 325 R HN 0.946 nan 8.270 nan 0.000 0.456 326 G N 1.118 109.882 108.800 -0.061 0.000 2.788 326 G HA2 -0.215 3.746 3.960 0.001 0.000 0.686 326 G HA3 -0.215 3.746 3.960 0.001 0.000 0.686 326 G C -0.028 174.819 174.900 -0.089 0.000 1.147 326 G CA -0.843 44.219 45.100 -0.063 0.000 0.755 326 G HN 0.531 nan 8.290 nan 0.000 0.634 327 F N 0.583 120.509 119.950 -0.040 0.000 2.120 327 F HA -0.126 4.402 4.527 0.001 0.000 0.300 327 F C 2.574 178.374 175.800 -0.001 0.000 1.095 327 F CA 2.180 60.175 58.000 -0.008 0.000 1.249 327 F CB -0.020 38.941 39.000 -0.065 0.000 0.995 327 F HN 0.549 nan 8.300 nan 0.000 0.480 328 D N -0.214 120.217 120.400 0.052 0.000 2.149 328 D HA -0.179 4.462 4.640 0.001 0.000 0.198 328 D C 1.792 178.088 176.300 -0.008 0.000 0.990 328 D CA 1.056 55.043 54.000 -0.022 0.000 0.839 328 D CB -0.621 40.115 40.800 -0.106 0.000 0.948 328 D HN 0.224 nan 8.370 nan 0.000 0.460 329 N N 0.558 119.202 118.700 -0.093 0.000 2.519 329 N HA -0.053 4.688 4.740 0.001 0.000 0.186 329 N C 1.873 177.199 175.510 -0.306 0.000 1.062 329 N CA 0.054 52.951 53.050 -0.255 0.000 0.910 329 N CB -0.006 38.336 38.487 -0.242 0.000 0.958 329 N HN 0.342 nan 8.380 nan 0.000 0.445 330 I N 1.138 121.573 120.570 -0.225 0.000 2.151 330 I HA -0.302 3.869 4.170 0.001 0.000 0.243 330 I C 2.447 178.183 176.117 -0.635 0.000 1.080 330 I CA 1.344 62.374 61.300 -0.450 0.000 1.339 330 I CB -0.204 37.525 38.000 -0.452 0.000 1.039 330 I HN 0.227 nan 8.210 nan 0.000 0.409 331 E N 1.313 121.099 120.200 -0.690 0.000 2.110 331 E HA -0.296 4.055 4.350 0.001 0.000 0.193 331 E C 2.234 178.614 176.600 -0.366 0.000 0.988 331 E CA 1.411 57.274 56.400 -0.894 0.000 0.804 331 E CB 0.007 29.353 29.700 -0.590 0.000 0.745 331 E HN 0.324 nan 8.360 nan 0.000 0.458 332 K N -0.020 120.182 120.400 -0.330 0.000 2.057 332 K HA -0.109 4.212 4.320 0.001 0.000 0.206 332 K C 2.046 178.455 176.600 -0.319 0.000 1.050 332 K CA 1.080 57.169 56.287 -0.331 0.000 0.935 332 K CB -0.164 32.030 32.500 -0.509 0.000 0.715 332 K HN 0.164 nan 8.250 nan 0.000 0.439 333 A N 0.758 123.372 122.820 -0.343 0.000 1.902 333 A HA -0.159 4.162 4.320 0.001 0.000 0.217 333 A C 1.991 179.545 177.584 -0.050 0.000 1.181 333 A CA 1.316 53.273 52.037 -0.133 0.000 0.623 333 A CB -0.803 18.163 19.000 -0.055 0.000 0.818 333 A HN 0.507 nan 8.150 nan 0.000 0.443 334 F N 0.302 120.130 119.950 -0.203 0.000 2.051 334 F HA -0.214 4.314 4.527 0.001 0.000 0.296 334 F C 2.272 178.074 175.800 0.004 0.000 1.122 334 F CA 2.174 60.145 58.000 -0.049 0.000 1.201 334 F CB -0.203 38.799 39.000 0.004 0.000 0.978 334 F HN 0.098 nan 8.300 nan 0.000 0.472 335 M N -0.235 119.444 119.600 0.131 0.000 2.267 335 M HA -0.185 4.296 4.480 0.001 0.000 0.263 335 M C 2.187 178.424 176.300 -0.105 0.000 1.063 335 M CA 1.139 56.456 55.300 0.029 0.000 1.090 335 M CB -1.625 31.024 32.600 0.083 0.000 1.392 335 M HN 0.299 nan 8.290 nan 0.000 0.422 336 L N 0.249 121.404 121.223 -0.112 0.000 2.083 336 L HA -0.147 4.194 4.340 0.001 0.000 0.209 336 L C 2.282 179.054 176.870 -0.164 0.000 1.083 336 L CA 1.601 56.364 54.840 -0.129 0.000 0.752 336 L CB -0.531 41.457 42.059 -0.119 0.000 0.899 336 L HN 0.216 nan 8.230 nan 0.000 0.433 337 M N -1.203 118.274 119.600 -0.206 0.000 2.175 337 M HA -0.157 4.323 4.480 0.001 0.000 0.264 337 M C 2.120 178.262 176.300 -0.265 0.000 1.063 337 M CA 1.220 56.380 55.300 -0.233 0.000 1.119 337 M CB -1.100 31.331 32.600 -0.282 0.000 1.377 337 M HN 0.207 nan 8.290 nan 0.000 0.415 338 K N 1.696 121.902 120.400 -0.323 0.000 1.963 338 K HA -0.159 4.161 4.320 0.001 0.000 0.216 338 K C -0.220 176.230 176.600 -0.249 0.000 1.045 338 K CA 1.857 57.944 56.287 -0.333 0.000 0.954 338 K CB -0.613 31.658 32.500 -0.382 0.000 0.732 338 K HN 0.458 nan 8.250 nan 0.000 0.442 339 D N 1.433 121.714 120.400 -0.198 0.000 2.741 339 D HA 0.082 4.723 4.640 0.001 0.000 0.233 339 D C -0.493 175.740 176.300 -0.111 0.000 1.160 339 D CA -0.131 53.783 54.000 -0.143 0.000 1.003 339 D CB 0.139 40.870 40.800 -0.115 0.000 1.064 339 D HN -0.048 nan 8.370 nan 0.000 0.503 340 K N 2.700 123.032 120.400 -0.114 0.000 2.367 340 K HA 0.026 4.347 4.320 0.001 0.000 0.275 340 K C -1.713 174.850 176.600 -0.061 0.000 1.125 340 K CA -1.076 55.154 56.287 -0.094 0.000 1.133 340 K CB 0.418 32.865 32.500 -0.088 0.000 0.875 340 K HN 0.310 nan 8.250 nan 0.000 0.467 341 P HA 0.046 nan 4.420 nan 0.000 0.275 341 P C -0.459 176.842 177.300 0.001 0.000 1.266 341 P CA -0.243 62.846 63.100 -0.018 0.000 0.793 341 P CB 0.735 32.433 31.700 -0.005 0.000 1.074 342 K N -0.138 120.273 120.400 0.019 0.000 2.305 342 K HA -0.049 4.272 4.320 0.001 0.000 0.199 342 K C 1.027 177.652 176.600 0.042 0.000 1.047 342 K CA 1.175 57.477 56.287 0.025 0.000 0.976 342 K CB -0.138 32.375 32.500 0.022 0.000 0.765 342 K HN 0.519 nan 8.250 nan 0.000 0.474 343 D N 0.471 120.913 120.400 0.070 0.000 2.349 343 D HA -0.022 4.618 4.640 0.001 0.000 0.214 343 D C 0.172 176.570 176.300 0.164 0.000 1.063 343 D CA -0.193 53.861 54.000 0.091 0.000 0.847 343 D CB -0.084 40.763 40.800 0.079 0.000 0.933 343 D HN -0.005 nan 8.370 nan 0.000 0.513 344 L N 0.418 121.722 121.223 0.134 0.000 2.289 344 L HA 0.404 4.745 4.340 0.001 0.000 0.285 344 L C 0.291 177.197 176.870 0.059 0.000 1.049 344 L CA -0.428 54.482 54.840 0.117 0.000 0.804 344 L CB 1.189 43.207 42.059 -0.068 0.000 1.195 344 L HN -0.147 nan 8.230 nan 0.000 0.428 345 I N 2.051 122.667 120.570 0.076 0.000 3.904 345 I HA 0.306 4.477 4.170 0.001 0.000 0.235 345 I C -0.100 176.031 176.117 0.024 0.000 1.062 345 I CA -0.213 61.114 61.300 0.046 0.000 1.574 345 I CB 0.173 38.209 38.000 0.061 0.000 1.503 345 I HN 0.475 nan 8.210 nan 0.000 0.463 346 K N 1.720 122.145 120.400 0.041 0.000 2.443 346 K HA 0.450 4.771 4.320 0.001 0.000 0.252 346 K C -2.816 173.807 176.600 0.037 0.000 0.933 346 K CA -2.205 54.096 56.287 0.023 0.000 0.792 346 K CB 2.037 34.551 32.500 0.023 0.000 1.185 346 K HN -0.191 nan 8.250 nan 0.000 0.425 347 P HA 0.356 nan 4.420 nan 0.000 0.296 347 P C -1.164 176.176 177.300 0.067 0.000 1.301 347 P CA -0.727 62.408 63.100 0.059 0.000 0.862 347 P CB 1.575 33.345 31.700 0.117 0.000 1.046 348 V N 3.071 123.012 119.914 0.046 0.000 2.656 348 V HA 0.365 4.486 4.120 0.001 0.000 0.307 348 V C -0.241 175.900 176.094 0.077 0.000 1.051 348 V CA -0.777 61.550 62.300 0.046 0.000 0.893 348 V CB 2.481 34.309 31.823 0.008 0.000 0.999 348 V HN 0.225 nan 8.190 nan 0.000 0.426 349 V N 5.878 125.831 119.914 0.064 0.000 2.357 349 V HA 0.496 4.617 4.120 0.001 0.000 0.284 349 V C -0.119 175.957 176.094 -0.029 0.000 1.018 349 V CA -0.409 61.917 62.300 0.043 0.000 0.841 349 V CB 1.500 33.306 31.823 -0.028 0.000 0.991 349 V HN 0.647 nan 8.190 nan 0.000 0.437 350 I N 5.347 125.899 120.570 -0.029 0.000 2.331 350 I HA 0.286 4.457 4.170 0.001 0.000 0.292 350 I C 0.743 176.799 176.117 -0.102 0.000 0.998 350 I CA -0.151 61.118 61.300 -0.052 0.000 1.267 350 I CB 1.715 39.698 38.000 -0.029 0.000 1.386 350 I HN 0.593 nan 8.210 nan 0.000 0.476 351 L N 5.803 126.940 121.223 -0.142 0.000 2.425 351 L HA 0.408 4.748 4.340 0.001 0.000 0.215 351 L C 0.824 177.633 176.870 -0.102 0.000 1.065 351 L CA 0.276 54.980 54.840 -0.226 0.000 0.842 351 L CB 0.006 41.815 42.059 -0.416 0.000 1.033 351 L HN 0.704 nan 8.230 nan 0.000 0.474 352 A N 0.000 122.790 122.820 -0.051 0.000 2.254 352 A HA 0.000 4.321 4.320 0.001 0.000 0.244 352 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 352 A CB 0.000 19.005 19.000 0.008 0.000 0.831 352 A HN 0.000 nan 8.150 nan 0.000 0.486