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 2vqa_1_C DATA FIRST_RESID 39 DATA SEQUENCE WRSLSNVVWG KDLPAFTYAF SKTPLVLYDG GTTKQVGTYN FPVSKGMAGV DATA SEQUENCE YMSLEPGAIR ELHWHANAAE WAYVMEGRTR ITLTSPEGKV EIADVDKGGL DATA SEQUENCE WYFPRGWGHS IEGIGPDTAK FLLVFNDGTF SEGATFSVTD WLSHTPIAWV DATA SEQUENCE EENLGWTAAQ VAQLPKKQVY ISSYGPASGP LASATPQGQT AKIEVPHTHN DATA SEQUENCE LLGQQPLVSL GGNELRLASA KEFPGSFNMT GALIHLEPGA MRQLHWHPNA DATA SEQUENCE DEWQYVLDGE MDLTVFASEG KASVSRLQQG DVGYVPKGYG HAIRNSSQKP DATA SEQUENCE LDIVVVFNDG DYQSIDLSTW LASNPSSVLG NTFQISPELT KKLPVQDTIF DATA SEQUENCE SLPT 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 39 W HA 0.000 nan 4.660 nan 0.000 0.303 39 W C 0.000 176.758 176.519 0.398 0.000 1.175 39 W CA 0.000 57.456 57.345 0.186 0.000 1.226 39 W CB 0.000 29.461 29.460 0.002 0.000 1.126 40 R N 1.425 122.177 120.500 0.421 0.000 2.594 40 R HA 0.515 4.855 4.340 -0.000 0.000 0.272 40 R C 0.709 177.208 176.300 0.330 0.000 1.074 40 R CA -0.019 56.268 56.100 0.312 0.000 1.105 40 R CB 1.284 31.685 30.300 0.167 0.000 1.008 40 R HN 0.277 nan 8.270 nan 0.000 0.472 41 S N 1.076 116.888 115.700 0.188 0.000 2.677 41 S HA 0.324 4.794 4.470 -0.000 0.000 0.304 41 S C 1.089 175.706 174.600 0.029 0.000 1.108 41 S CA -1.047 57.220 58.200 0.112 0.000 0.944 41 S CB 1.235 64.396 63.200 -0.066 0.000 1.127 41 S HN 0.585 nan 8.310 nan 0.000 0.511 42 L N 1.164 122.398 121.223 0.018 0.000 2.141 42 L HA -0.054 4.286 4.340 -0.000 0.000 0.209 42 L C 2.500 179.354 176.870 -0.027 0.000 1.094 42 L CA 1.508 56.349 54.840 0.001 0.000 0.763 42 L CB -0.434 41.628 42.059 0.004 0.000 0.908 42 L HN 0.952 nan 8.230 nan 0.000 0.437 43 S N -2.276 113.388 115.700 -0.061 0.000 2.556 43 S HA 0.012 4.482 4.470 -0.000 0.000 0.216 43 S C 0.889 175.426 174.600 -0.105 0.000 0.970 43 S CA 0.089 58.243 58.200 -0.076 0.000 0.912 43 S CB -0.205 62.942 63.200 -0.088 0.000 0.790 43 S HN 0.475 nan 8.310 nan 0.000 0.504 44 N N 0.446 119.072 118.700 -0.123 0.000 2.708 44 N HA -0.159 4.580 4.740 -0.000 0.000 0.249 44 N C -0.222 175.144 175.510 -0.241 0.000 1.097 44 N CA 0.705 53.666 53.050 -0.148 0.000 0.710 44 N CB -1.833 36.606 38.487 -0.080 0.000 1.032 44 N HN 0.520 nan 8.380 nan 0.000 0.551 45 V N 0.244 119.941 119.914 -0.361 0.000 2.788 45 V HA 0.073 4.193 4.120 -0.000 0.000 0.307 45 V C 0.600 176.386 176.094 -0.514 0.000 1.069 45 V CA -0.141 61.921 62.300 -0.396 0.000 1.173 45 V CB 0.836 32.388 31.823 -0.453 0.000 0.925 45 V HN 0.073 nan 8.190 nan 0.000 0.492 46 V N 8.135 127.882 119.914 -0.278 0.000 2.397 46 V HA 0.108 4.228 4.120 -0.000 0.000 0.262 46 V C 0.060 176.090 176.094 -0.107 0.000 1.047 46 V CA -0.343 61.850 62.300 -0.178 0.000 1.003 46 V CB -0.394 31.400 31.823 -0.047 0.000 1.037 46 V HN 0.926 nan 8.190 nan 0.000 0.480 47 W N 4.449 125.795 121.300 0.077 0.000 2.385 47 W HA 0.414 5.074 4.660 -0.000 0.000 0.336 47 W C 1.459 178.022 176.519 0.074 0.000 1.351 47 W CA 0.975 58.364 57.345 0.074 0.000 1.295 47 W CB 0.146 29.651 29.460 0.076 0.000 1.239 47 W HN 0.945 nan 8.180 nan 0.000 0.565 48 G N 1.678 110.687 108.800 0.348 0.000 2.268 48 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.240 48 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.240 48 G C 0.627 175.611 174.900 0.140 0.000 1.010 48 G CA 0.080 45.317 45.100 0.228 0.000 0.618 48 G HN 0.480 nan 8.290 nan 0.000 0.516 49 K N 1.332 121.800 120.400 0.114 0.000 2.491 49 K HA 0.242 4.562 4.320 -0.000 0.000 0.279 49 K C 0.505 177.137 176.600 0.053 0.000 1.026 49 K CA 0.879 57.203 56.287 0.062 0.000 1.070 49 K CB -0.017 32.503 32.500 0.033 0.000 0.887 49 K HN 0.237 nan 8.250 nan 0.000 0.481 50 D N 1.580 122.000 120.400 0.034 0.000 3.041 50 D HA -0.201 4.439 4.640 -0.000 0.000 0.220 50 D C -0.793 175.522 176.300 0.026 0.000 1.157 50 D CA 1.090 55.103 54.000 0.022 0.000 0.876 50 D CB -0.912 39.898 40.800 0.017 0.000 1.107 50 D HN 0.409 nan 8.370 nan 0.000 0.422 51 L N -0.007 121.231 121.223 0.025 0.000 2.371 51 L HA 0.562 4.901 4.340 -0.000 0.000 0.262 51 L C -1.838 174.952 176.870 -0.134 0.000 1.006 51 L CA -1.655 53.180 54.840 -0.008 0.000 0.818 51 L CB 2.081 44.207 42.059 0.111 0.000 1.354 51 L HN -0.251 nan 8.230 nan 0.000 0.415 52 P HA 0.262 nan 4.420 nan 0.000 0.276 52 P C -0.817 176.174 177.300 -0.516 0.000 1.252 52 P CA -0.510 62.391 63.100 -0.330 0.000 0.802 52 P CB 0.821 32.315 31.700 -0.344 0.000 1.035 53 A N 0.804 123.478 122.820 -0.244 0.000 2.511 53 A HA 0.152 4.472 4.320 -0.000 0.000 0.242 53 A C 0.141 177.627 177.584 -0.164 0.000 1.069 53 A CA 0.015 51.989 52.037 -0.104 0.000 0.763 53 A CB -0.804 18.270 19.000 0.125 0.000 1.001 53 A HN 0.451 nan 8.150 nan 0.000 0.498 54 F N 0.788 120.878 119.950 0.233 0.000 2.664 54 F HA 0.204 4.731 4.527 -0.000 0.000 0.303 54 F C 1.340 177.353 175.800 0.355 0.000 1.092 54 F CA 0.856 59.009 58.000 0.254 0.000 1.305 54 F CB 0.198 39.282 39.000 0.140 0.000 1.054 54 F HN 0.646 nan 8.300 nan 0.000 0.565 55 T N -3.435 111.373 114.554 0.423 0.000 2.868 55 T HA 0.550 4.900 4.350 -0.000 0.000 0.306 55 T C -1.653 172.940 174.700 -0.179 0.000 1.224 55 T CA -0.782 61.385 62.100 0.112 0.000 1.012 55 T CB 2.406 71.294 68.868 0.033 0.000 1.221 55 T HN -0.016 nan 8.240 nan 0.000 0.499 56 Y N 0.875 120.805 120.300 -0.616 0.000 2.457 56 Y HA 0.606 5.156 4.550 -0.000 0.000 0.343 56 Y C -0.138 175.578 175.900 -0.308 0.000 0.994 56 Y CA -0.930 56.780 58.100 -0.649 0.000 1.031 56 Y CB 1.959 39.642 38.460 -1.295 0.000 1.246 56 Y HN 1.088 nan 8.280 nan 0.000 0.449 57 A N 6.355 128.795 122.820 -0.633 0.000 3.051 57 A HA 0.075 4.395 4.320 -0.000 0.000 0.257 57 A C 0.765 178.275 177.584 -0.125 0.000 1.785 57 A CA -0.110 51.728 52.037 -0.332 0.000 1.420 57 A CB -1.338 17.471 19.000 -0.318 0.000 1.063 57 A HN 0.847 nan 8.150 nan 0.000 0.630 58 F N 2.119 122.031 119.950 -0.065 0.000 2.161 58 F HA -0.204 4.323 4.527 -0.000 0.000 0.300 58 F C 2.578 178.386 175.800 0.012 0.000 1.089 58 F CA 1.899 59.973 58.000 0.122 0.000 1.282 58 F CB -0.510 38.571 39.000 0.135 0.000 1.010 58 F HN 0.536 nan 8.300 nan 0.000 0.485 59 S N -0.872 114.799 115.700 -0.048 0.000 2.469 59 S HA -0.177 4.293 4.470 -0.000 0.000 0.238 59 S C 1.748 176.267 174.600 -0.136 0.000 0.998 59 S CA 1.055 59.157 58.200 -0.165 0.000 0.957 59 S CB -0.536 62.582 63.200 -0.136 0.000 0.764 59 S HN 0.460 nan 8.310 nan 0.000 0.514 60 K N 0.884 121.229 120.400 -0.090 0.000 2.374 60 K HA 0.192 4.512 4.320 -0.000 0.000 0.196 60 K C -0.149 176.430 176.600 -0.036 0.000 1.023 60 K CA 0.071 56.313 56.287 -0.075 0.000 1.103 60 K CB 0.341 32.789 32.500 -0.086 0.000 0.848 60 K HN 0.243 nan 8.250 nan 0.000 0.528 61 T N 4.297 118.857 114.554 0.009 0.000 2.834 61 T HA 0.108 4.458 4.350 -0.000 0.000 0.298 61 T C -2.344 172.357 174.700 0.003 0.000 0.966 61 T CA -1.269 60.887 62.100 0.094 0.000 1.141 61 T CB 0.699 69.754 68.868 0.311 0.000 0.905 61 T HN 0.050 nan 8.240 nan 0.000 0.535 62 P HA 0.142 nan 4.420 nan 0.000 0.269 62 P C -0.125 177.184 177.300 0.014 0.000 1.209 62 P CA -0.342 62.760 63.100 0.003 0.000 0.776 62 P CB 0.619 32.327 31.700 0.012 0.000 0.876 63 L N 1.493 122.717 121.223 0.002 0.000 2.436 63 L HA 0.234 4.573 4.340 -0.000 0.000 0.265 63 L C 0.381 177.275 176.870 0.040 0.000 1.168 63 L CA -0.731 54.134 54.840 0.041 0.000 0.815 63 L CB 0.512 42.599 42.059 0.046 0.000 1.109 63 L HN 0.118 nan 8.230 nan 0.000 0.462 64 V N 3.477 123.434 119.914 0.071 0.000 2.435 64 V HA 0.370 4.490 4.120 -0.000 0.000 0.290 64 V C 0.100 176.174 176.094 -0.033 0.000 1.030 64 V CA -0.563 61.731 62.300 -0.011 0.000 0.881 64 V CB 1.575 33.402 31.823 0.006 0.000 0.983 64 V HN 0.449 nan 8.190 nan 0.000 0.445 65 L N 5.195 126.306 121.223 -0.187 0.000 2.295 65 L HA 0.603 4.943 4.340 -0.000 0.000 0.285 65 L C -0.895 175.762 176.870 -0.355 0.000 1.035 65 L CA -0.397 54.366 54.840 -0.128 0.000 0.806 65 L CB 1.024 43.042 42.059 -0.068 0.000 1.214 65 L HN 0.542 nan 8.230 nan 0.000 0.426 66 Y N -0.282 120.078 120.300 0.100 0.000 2.659 66 Y HA 0.194 4.744 4.550 -0.000 0.000 0.333 66 Y C 0.171 176.133 175.900 0.104 0.000 1.064 66 Y CA -0.953 57.217 58.100 0.117 0.000 1.141 66 Y CB 1.070 39.644 38.460 0.190 0.000 1.316 66 Y HN 0.477 nan 8.280 nan 0.000 0.509 67 D N 0.580 121.157 120.400 0.294 0.000 2.489 67 D HA 0.308 4.948 4.640 -0.000 0.000 0.237 67 D C 0.779 177.185 176.300 0.177 0.000 1.212 67 D CA 1.374 55.487 54.000 0.188 0.000 1.058 67 D CB -0.637 40.262 40.800 0.165 0.000 1.098 67 D HN 0.771 nan 8.370 nan 0.000 0.509 68 G N 1.567 110.464 108.800 0.162 0.000 2.192 68 G HA2 0.002 3.962 3.960 -0.000 0.000 0.193 68 G HA3 0.002 3.962 3.960 -0.000 0.000 0.193 68 G C 0.466 175.460 174.900 0.156 0.000 0.999 68 G CA -0.223 44.962 45.100 0.141 0.000 0.659 68 G HN 0.919 nan 8.290 nan 0.000 0.503 69 G N -1.326 107.597 108.800 0.206 0.000 2.682 69 G HA2 0.972 4.932 3.960 -0.000 0.000 0.290 69 G HA3 0.972 4.932 3.960 -0.000 0.000 0.290 69 G C -0.612 174.447 174.900 0.266 0.000 1.425 69 G CA 0.691 45.913 45.100 0.204 0.000 0.807 69 G HN 1.613 nan 8.290 nan 0.000 0.482 70 T N -2.910 111.784 114.554 0.233 0.000 2.868 70 T HA 0.803 5.152 4.350 -0.000 0.000 0.306 70 T C -0.843 174.026 174.700 0.282 0.000 1.224 70 T CA -0.657 61.604 62.100 0.268 0.000 1.012 70 T CB 2.177 71.176 68.868 0.217 0.000 1.221 70 T HN 1.248 nan 8.240 nan 0.000 0.499 71 T N 0.496 115.245 114.554 0.326 0.000 2.957 71 T HA 0.650 5.000 4.350 -0.000 0.000 0.336 71 T C -2.172 172.723 174.700 0.325 0.000 1.462 71 T CA -0.838 61.470 62.100 0.347 0.000 1.073 71 T CB 1.275 70.360 68.868 0.362 0.000 1.319 71 T HN 1.198 nan 8.240 nan 0.000 0.485 72 K N 2.208 122.838 120.400 0.384 0.000 2.536 72 K HA 0.763 5.083 4.320 -0.000 0.000 0.269 72 K C -1.536 175.426 176.600 0.603 0.000 0.965 72 K CA -1.095 55.417 56.287 0.374 0.000 0.860 72 K CB 2.083 34.705 32.500 0.203 0.000 1.423 72 K HN 0.713 nan 8.250 nan 0.000 0.438 73 Q N 0.076 120.250 119.800 0.623 0.000 2.416 73 Q HA 0.650 4.990 4.340 -0.000 0.000 0.281 73 Q C -1.749 174.515 176.000 0.439 0.000 1.067 73 Q CA -1.214 54.940 55.803 0.586 0.000 0.809 73 Q CB 2.649 31.648 28.738 0.433 0.000 1.418 73 Q HN 0.375 nan 8.270 nan 0.000 0.411 74 V N 0.921 120.909 119.914 0.122 0.000 2.524 74 V HA 0.869 4.989 4.120 -0.000 0.000 0.297 74 V C -0.829 175.179 176.094 -0.143 0.000 1.035 74 V CA 0.371 62.575 62.300 -0.160 0.000 0.867 74 V CB 1.244 32.667 31.823 -0.668 0.000 1.004 74 V HN 1.000 nan 8.190 nan 0.000 0.426 75 G N 3.012 111.463 108.800 -0.582 0.000 2.975 75 G HA2 0.427 4.387 3.960 -0.000 0.000 0.291 75 G HA3 0.427 4.387 3.960 -0.000 0.000 0.291 75 G C 0.829 175.200 174.900 -0.882 0.000 1.334 75 G CA 0.399 45.007 45.100 -0.820 0.000 0.843 75 G HN 1.030 nan 8.290 nan 0.000 0.548 76 T N -1.553 112.590 114.554 -0.685 0.000 2.822 76 T HA -0.279 4.071 4.350 -0.000 0.000 0.270 76 T C 1.998 176.491 174.700 -0.344 0.000 1.064 76 T CA 2.433 64.266 62.100 -0.444 0.000 1.131 76 T CB -0.774 67.926 68.868 -0.280 0.000 0.858 76 T HN 0.651 nan 8.240 nan 0.000 0.483 77 Y N 3.353 123.621 120.300 -0.053 0.000 2.333 77 Y HA 0.049 4.599 4.550 -0.000 0.000 0.290 77 Y C 1.940 177.832 175.900 -0.013 0.000 1.144 77 Y CA 0.743 58.822 58.100 -0.035 0.000 1.228 77 Y CB -0.876 37.563 38.460 -0.036 0.000 0.985 77 Y HN 0.467 nan 8.280 nan 0.000 0.542 78 N N -1.654 117.068 118.700 0.037 0.000 2.118 78 N HA 0.046 4.786 4.740 -0.000 0.000 0.226 78 N C -0.748 174.782 175.510 0.034 0.000 1.305 78 N CA -0.330 52.774 53.050 0.090 0.000 0.890 78 N CB 0.001 38.579 38.487 0.152 0.000 1.118 78 N HN 0.269 nan 8.380 nan 0.000 0.511 79 F N 1.326 121.094 119.950 -0.304 0.000 2.971 79 F HA 0.533 5.060 4.527 -0.000 0.000 0.373 79 F C -2.416 173.225 175.800 -0.264 0.000 1.288 79 F CA -2.575 55.260 58.000 -0.276 0.000 1.204 79 F CB 1.564 40.278 39.000 -0.478 0.000 1.852 79 F HN -0.250 nan 8.300 nan 0.000 0.624 80 P HA -0.162 nan 4.420 nan 0.000 0.218 80 P C 1.937 178.982 177.300 -0.425 0.000 1.148 80 P CA 1.160 64.109 63.100 -0.253 0.000 0.822 80 P CB 0.442 32.059 31.700 -0.139 0.000 0.784 81 V N -0.784 118.757 119.914 -0.622 0.000 2.809 81 V HA -0.052 4.067 4.120 -0.000 0.000 0.256 81 V C 1.480 176.951 176.094 -1.038 0.000 1.080 81 V CA 1.418 63.319 62.300 -0.664 0.000 1.102 81 V CB -1.047 30.418 31.823 -0.598 0.000 0.705 81 V HN 0.068 nan 8.190 nan 0.000 0.475 82 S N -0.096 114.821 115.700 -1.304 0.000 3.593 82 S HA 0.042 4.512 4.470 -0.000 0.000 0.224 82 S C 1.366 175.456 174.600 -0.850 0.000 1.333 82 S CA -0.003 57.292 58.200 -1.509 0.000 1.164 82 S CB -0.582 62.093 63.200 -0.876 0.000 1.281 82 S HN 0.565 nan 8.310 nan 0.000 0.457 83 K N 1.020 121.014 120.400 -0.675 0.000 2.057 83 K HA 0.013 4.333 4.320 -0.000 0.000 0.207 83 K C 2.134 178.676 176.600 -0.096 0.000 1.049 83 K CA 1.421 57.548 56.287 -0.268 0.000 0.931 83 K CB -0.501 31.905 32.500 -0.156 0.000 0.714 83 K HN 0.490 nan 8.250 nan 0.000 0.440 84 G N -0.940 107.898 108.800 0.063 0.000 2.551 84 G HA2 0.081 4.041 3.960 -0.000 0.000 0.216 84 G HA3 0.081 4.041 3.960 -0.000 0.000 0.216 84 G C 0.310 175.272 174.900 0.105 0.000 1.137 84 G CA 0.172 45.350 45.100 0.130 0.000 0.798 84 G HN 0.127 nan 8.290 nan 0.000 0.536 85 M N -0.649 119.038 119.600 0.144 0.000 2.520 85 M HA 0.600 5.080 4.480 -0.000 0.000 0.283 85 M C -1.353 174.941 176.300 -0.010 0.000 1.237 85 M CA -0.570 54.750 55.300 0.033 0.000 0.885 85 M CB 2.835 35.420 32.600 -0.024 0.000 1.727 85 M HN 0.013 nan 8.290 nan 0.000 0.468 86 A N 0.853 123.632 122.820 -0.068 0.000 2.413 86 A HA 0.990 5.309 4.320 -0.000 0.000 0.307 86 A C -0.576 176.925 177.584 -0.139 0.000 1.087 86 A CA -0.623 51.402 52.037 -0.021 0.000 0.750 86 A CB 1.697 20.764 19.000 0.111 0.000 1.296 86 A HN 0.894 nan 8.150 nan 0.000 0.423 87 G N -0.382 108.389 108.800 -0.047 0.000 2.495 87 G HA2 0.579 4.538 3.960 -0.000 0.000 0.318 87 G HA3 0.579 4.538 3.960 -0.000 0.000 0.318 87 G C -1.448 173.628 174.900 0.294 0.000 1.257 87 G CA -0.430 44.601 45.100 -0.114 0.000 0.962 87 G HN 0.875 nan 8.290 nan 0.000 0.483 88 V N 1.892 122.036 119.914 0.383 0.000 2.540 88 V HA 0.408 4.528 4.120 -0.000 0.000 0.302 88 V C -1.105 175.298 176.094 0.515 0.000 1.035 88 V CA -0.876 61.748 62.300 0.541 0.000 0.873 88 V CB 1.639 33.820 31.823 0.597 0.000 0.992 88 V HN 0.759 nan 8.190 nan 0.000 0.428 89 Y N 5.594 126.177 120.300 0.473 0.000 2.323 89 Y HA 0.787 5.337 4.550 -0.000 0.000 0.331 89 Y C -0.230 175.726 175.900 0.093 0.000 1.092 89 Y CA -0.546 57.694 58.100 0.234 0.000 1.150 89 Y CB 1.519 40.085 38.460 0.176 0.000 1.200 89 Y HN 0.702 nan 8.280 nan 0.000 0.472 90 M N 5.314 124.350 119.600 -0.940 0.000 2.470 90 M HA 0.487 4.967 4.480 -0.000 0.000 0.285 90 M C -1.640 173.880 176.300 -1.301 0.000 1.213 90 M CA -0.439 54.369 55.300 -0.819 0.000 0.901 90 M CB 1.944 34.281 32.600 -0.438 0.000 1.718 90 M HN 0.752 nan 8.290 nan 0.000 0.469 91 S N 4.282 119.611 115.700 -0.618 0.000 2.542 91 S HA 0.841 5.311 4.470 -0.000 0.000 0.293 91 S C -1.358 173.203 174.600 -0.066 0.000 1.089 91 S CA -0.826 57.153 58.200 -0.369 0.000 0.961 91 S CB 1.715 64.858 63.200 -0.095 0.000 1.062 91 S HN 0.763 nan 8.310 nan 0.000 0.483 92 L N 2.552 123.821 121.223 0.077 0.000 2.404 92 L HA 0.487 4.826 4.340 -0.000 0.000 0.272 92 L C -0.044 176.908 176.870 0.137 0.000 0.980 92 L CA -0.763 54.175 54.840 0.163 0.000 0.836 92 L CB 1.735 43.957 42.059 0.272 0.000 1.238 92 L HN 0.692 nan 8.230 nan 0.000 0.408 93 E N 3.156 123.424 120.200 0.114 0.000 2.442 93 E HA 0.095 4.445 4.350 -0.000 0.000 0.260 93 E C -2.282 174.373 176.600 0.091 0.000 1.148 93 E CA -1.521 54.937 56.400 0.096 0.000 0.976 93 E CB 0.064 29.817 29.700 0.089 0.000 0.967 93 E HN 0.244 nan 8.360 nan 0.000 0.454 94 P HA 0.100 nan 4.420 nan 0.000 0.271 94 P C 0.514 177.852 177.300 0.062 0.000 1.226 94 P CA 0.654 63.794 63.100 0.066 0.000 0.765 94 P CB 0.492 32.224 31.700 0.052 0.000 0.835 95 G N 1.976 110.813 108.800 0.062 0.000 2.179 95 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.260 95 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.260 95 G C 0.378 175.322 174.900 0.073 0.000 0.977 95 G CA 0.013 45.148 45.100 0.059 0.000 0.641 95 G HN 0.846 nan 8.290 nan 0.000 0.533 96 A N -0.363 122.508 122.820 0.084 0.000 2.316 96 A HA 0.819 5.139 4.320 -0.000 0.000 0.284 96 A C 0.012 177.649 177.584 0.089 0.000 1.115 96 A CA 0.086 52.180 52.037 0.096 0.000 0.812 96 A CB 0.915 19.981 19.000 0.110 0.000 1.064 96 A HN 1.297 nan 8.150 nan 0.000 0.489 97 I N 0.859 121.475 120.570 0.078 0.000 2.569 97 I HA 0.473 4.643 4.170 -0.000 0.000 0.290 97 I C -0.310 175.822 176.117 0.025 0.000 1.088 97 I CA -0.973 60.361 61.300 0.057 0.000 1.047 97 I CB 1.721 39.747 38.000 0.044 0.000 1.237 97 I HN 0.751 nan 8.210 nan 0.000 0.421 98 R N 6.622 127.142 120.500 0.033 0.000 2.288 98 R HA 0.142 4.481 4.340 -0.000 0.000 0.330 98 R C -0.329 175.978 176.300 0.011 0.000 1.069 98 R CA -0.154 55.926 56.100 -0.032 0.000 0.941 98 R CB 0.292 30.648 30.300 0.092 0.000 0.998 98 R HN 0.656 nan 8.270 nan 0.000 0.452 99 E N 3.907 124.081 120.200 -0.044 0.000 2.418 99 E HA -0.024 4.326 4.350 -0.000 0.000 0.261 99 E C -0.552 176.105 176.600 0.096 0.000 1.070 99 E CA -0.489 55.923 56.400 0.020 0.000 0.931 99 E CB 0.507 30.210 29.700 0.005 0.000 0.954 99 E HN 0.506 nan 8.360 nan 0.000 0.439 100 L N 3.959 125.207 121.223 0.042 0.000 2.700 100 L HA -0.048 4.292 4.340 -0.000 0.000 0.276 100 L C 0.541 177.462 176.870 0.085 0.000 1.200 100 L CA 0.795 55.635 54.840 0.000 0.000 0.951 100 L CB -0.782 41.286 42.059 0.016 0.000 1.226 100 L HN 0.647 nan 8.230 nan 0.000 0.489 101 H N 2.247 121.243 119.070 -0.123 0.000 2.960 101 H HA 0.532 5.088 4.556 -0.000 0.000 0.323 101 H C -1.534 173.682 175.328 -0.187 0.000 1.326 101 H CA -1.128 54.872 56.048 -0.080 0.000 1.124 101 H CB 1.290 30.995 29.762 -0.095 0.000 1.853 101 H HN 0.577 nan 8.280 nan 0.000 0.536 102 W N 0.472 121.687 121.300 -0.141 0.000 3.075 102 W HA 0.600 5.260 4.660 -0.000 0.000 0.334 102 W C -2.073 174.474 176.519 0.048 0.000 1.243 102 W CA -1.133 56.042 57.345 -0.284 0.000 1.170 102 W CB 0.868 30.200 29.460 -0.213 0.000 1.452 102 W HN 0.895 nan 8.180 nan 0.000 0.572 103 H N 0.238 119.599 119.070 0.486 0.000 3.239 103 H HA 0.652 5.208 4.556 -0.000 0.000 0.320 103 H C 0.180 175.723 175.328 0.358 0.000 1.074 103 H CA -0.600 55.687 56.048 0.398 0.000 1.553 103 H CB 0.815 30.908 29.762 0.553 0.000 1.752 103 H HN 0.758 nan 8.280 nan 0.000 0.513 104 A N 2.746 125.782 122.820 0.361 0.000 2.066 104 A HA -0.186 4.133 4.320 -0.000 0.000 0.218 104 A C 1.831 179.562 177.584 0.245 0.000 1.157 104 A CA 1.197 53.394 52.037 0.266 0.000 0.670 104 A CB -0.343 18.749 19.000 0.152 0.000 0.804 104 A HN 0.871 nan 8.150 nan 0.000 0.453 105 N N -0.057 118.808 118.700 0.276 0.000 2.461 105 N HA 0.250 4.989 4.740 -0.000 0.000 0.188 105 N C 0.166 175.813 175.510 0.228 0.000 1.134 105 N CA 0.975 54.162 53.050 0.229 0.000 0.878 105 N CB 0.072 38.695 38.487 0.226 0.000 0.972 105 N HN 0.388 nan 8.380 nan 0.000 0.456 106 A N -0.240 122.742 122.820 0.270 0.000 2.566 106 A HA 0.715 5.034 4.320 -0.000 0.000 0.297 106 A C -1.112 176.603 177.584 0.218 0.000 1.059 106 A CA -0.587 51.557 52.037 0.179 0.000 0.691 106 A CB 1.233 20.245 19.000 0.020 0.000 1.282 106 A HN 0.307 nan 8.150 nan 0.000 0.401 107 A N 0.802 123.675 122.820 0.090 0.000 2.316 107 A HA 0.675 4.995 4.320 -0.000 0.000 0.284 107 A C -0.001 177.510 177.584 -0.120 0.000 1.115 107 A CA -0.190 51.812 52.037 -0.058 0.000 0.812 107 A CB 0.466 19.378 19.000 -0.147 0.000 1.064 107 A HN 0.838 nan 8.150 nan 0.000 0.489 108 E N 1.346 121.395 120.200 -0.252 0.000 2.145 108 E HA 0.378 4.727 4.350 -0.000 0.000 0.262 108 E C -1.683 174.654 176.600 -0.438 0.000 0.883 108 E CA -0.342 55.799 56.400 -0.431 0.000 0.748 108 E CB 0.843 30.514 29.700 -0.048 0.000 1.140 108 E HN 0.654 nan 8.360 nan 0.000 0.417 109 W N 4.533 125.460 121.300 -0.622 0.000 2.587 109 W HA 0.662 5.321 4.660 -0.000 0.000 0.324 109 W C -1.424 174.732 176.519 -0.606 0.000 1.040 109 W CA -0.429 56.656 57.345 -0.433 0.000 1.222 109 W CB 1.450 30.766 29.460 -0.239 0.000 1.381 109 W HN 0.568 nan 8.180 nan 0.000 0.483 110 A N 5.048 127.110 122.820 -1.262 0.000 2.401 110 A HA 0.655 4.975 4.320 -0.000 0.000 0.310 110 A C -2.533 174.265 177.584 -1.310 0.000 1.075 110 A CA -0.596 50.638 52.037 -1.338 0.000 0.746 110 A CB 1.332 18.901 19.000 -2.386 0.000 1.277 110 A HN 0.719 nan 8.150 nan 0.000 0.425 111 Y N 1.861 121.672 120.300 -0.814 0.000 2.338 111 Y HA 0.528 5.078 4.550 -0.000 0.000 0.333 111 Y C -0.895 174.813 175.900 -0.319 0.000 0.968 111 Y CA -0.725 57.065 58.100 -0.518 0.000 1.123 111 Y CB 1.796 40.166 38.460 -0.150 0.000 1.165 111 Y HN 0.469 nan 8.280 nan 0.000 0.452 112 V N 8.715 128.139 119.914 -0.816 0.000 2.408 112 V HA 0.055 4.174 4.120 -0.000 0.000 0.267 112 V C 0.856 176.639 176.094 -0.518 0.000 1.047 112 V CA 0.325 62.343 62.300 -0.470 0.000 0.937 112 V CB 0.961 32.594 31.823 -0.316 0.000 0.999 112 V HN 1.056 nan 8.190 nan 0.000 0.472 113 M N 2.764 122.277 119.600 -0.145 0.000 2.334 113 M HA 0.170 4.649 4.480 -0.000 0.000 0.266 113 M C 0.502 176.824 176.300 0.038 0.000 1.082 113 M CA 1.133 56.447 55.300 0.023 0.000 1.141 113 M CB 0.367 33.068 32.600 0.167 0.000 1.380 113 M HN 0.605 nan 8.290 nan 0.000 0.440 114 E N -1.314 118.909 120.200 0.038 0.000 2.363 114 E HA 0.525 4.875 4.350 -0.000 0.000 0.281 114 E C -0.338 176.299 176.600 0.062 0.000 0.953 114 E CA 0.481 56.916 56.400 0.058 0.000 0.778 114 E CB 1.734 31.488 29.700 0.090 0.000 1.220 114 E HN 0.299 nan 8.360 nan 0.000 0.431 115 G N 2.486 111.316 108.800 0.049 0.000 2.584 115 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.229 115 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.229 115 G C -0.951 173.977 174.900 0.046 0.000 1.320 115 G CA -0.157 44.977 45.100 0.057 0.000 0.891 115 G HN 0.549 nan 8.290 nan 0.000 0.573 116 R N -0.224 120.312 120.500 0.060 0.000 2.651 116 R HA 0.685 5.025 4.340 -0.000 0.000 0.278 116 R C -0.276 176.058 176.300 0.057 0.000 1.010 116 R CA -0.201 55.924 56.100 0.042 0.000 0.896 116 R CB 2.248 32.563 30.300 0.025 0.000 1.211 116 R HN 1.051 nan 8.270 nan 0.000 0.456 117 T N -1.123 113.454 114.554 0.039 0.000 2.916 117 T HA 0.616 4.966 4.350 -0.000 0.000 0.292 117 T C -0.574 174.108 174.700 -0.029 0.000 1.064 117 T CA -1.084 61.023 62.100 0.012 0.000 1.011 117 T CB 2.375 71.236 68.868 -0.011 0.000 1.152 117 T HN 0.556 nan 8.240 nan 0.000 0.510 118 R N 1.010 121.467 120.500 -0.071 0.000 2.532 118 R HA 0.624 4.964 4.340 -0.000 0.000 0.297 118 R C -1.159 175.040 176.300 -0.169 0.000 0.984 118 R CA -0.975 55.070 56.100 -0.091 0.000 0.884 118 R CB 0.862 31.132 30.300 -0.049 0.000 1.182 118 R HN 0.803 nan 8.270 nan 0.000 0.442 119 I N 0.515 120.958 120.570 -0.211 0.000 2.607 119 I HA 0.650 4.820 4.170 -0.000 0.000 0.305 119 I C -0.221 175.792 176.117 -0.174 0.000 0.995 119 I CA -0.413 60.722 61.300 -0.275 0.000 1.148 119 I CB 2.193 39.964 38.000 -0.383 0.000 1.323 119 I HN 0.628 nan 8.210 nan 0.000 0.461 120 T N 3.137 117.567 114.554 -0.207 0.000 2.908 120 T HA 0.825 5.175 4.350 -0.000 0.000 0.290 120 T C -0.998 173.531 174.700 -0.286 0.000 1.034 120 T CA -0.733 61.259 62.100 -0.180 0.000 1.010 120 T CB 1.659 70.443 68.868 -0.139 0.000 1.068 120 T HN 0.945 nan 8.240 nan 0.000 0.481 121 L N 1.177 122.266 121.223 -0.223 0.000 2.543 121 L HA 0.676 5.016 4.340 -0.000 0.000 0.265 121 L C -1.154 175.622 176.870 -0.157 0.000 0.945 121 L CA -0.109 54.575 54.840 -0.261 0.000 0.869 121 L CB 2.303 44.212 42.059 -0.249 0.000 1.294 121 L HN 0.958 nan 8.230 nan 0.000 0.405 122 T N 2.854 117.305 114.554 -0.172 0.000 2.815 122 T HA 0.598 4.948 4.350 -0.000 0.000 0.289 122 T C -0.224 174.218 174.700 -0.428 0.000 1.000 122 T CA -0.317 61.638 62.100 -0.242 0.000 0.958 122 T CB 1.236 69.976 68.868 -0.213 0.000 0.944 122 T HN 0.782 nan 8.240 nan 0.000 0.442 123 S N 3.243 118.546 115.700 -0.662 0.000 2.672 123 S HA 0.433 4.903 4.470 -0.000 0.000 0.276 123 S C -1.831 172.254 174.600 -0.858 0.000 1.207 123 S CA -1.416 55.986 58.200 -1.329 0.000 1.002 123 S CB 0.973 63.297 63.200 -1.460 0.000 0.998 123 S HN 0.268 nan 8.310 nan 0.000 0.542 124 P HA -0.074 nan 4.420 nan 0.000 0.220 124 P C 0.235 177.343 177.300 -0.319 0.000 1.144 124 P CA 1.142 63.973 63.100 -0.447 0.000 0.800 124 P CB -0.133 31.382 31.700 -0.308 0.000 0.772 125 E N -1.003 118.995 120.200 -0.337 0.000 2.368 125 E HA 0.273 4.623 4.350 -0.000 0.000 0.188 125 E C 1.002 177.477 176.600 -0.208 0.000 1.061 125 E CA 0.156 56.423 56.400 -0.220 0.000 0.933 125 E CB -0.631 28.966 29.700 -0.171 0.000 1.091 125 E HN 0.097 nan 8.360 nan 0.000 0.458 126 G N 2.122 110.774 108.800 -0.246 0.000 2.225 126 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.267 126 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.267 126 G C 0.053 174.847 174.900 -0.177 0.000 1.024 126 G CA 0.596 45.577 45.100 -0.198 0.000 0.784 126 G HN 0.219 nan 8.290 nan 0.000 0.507 127 K N -1.021 119.251 120.400 -0.213 0.000 2.098 127 K HA 0.746 5.066 4.320 -0.000 0.000 0.258 127 K C -0.245 176.254 176.600 -0.168 0.000 0.973 127 K CA -0.708 55.482 56.287 -0.161 0.000 0.898 127 K CB 2.526 34.943 32.500 -0.139 0.000 1.057 127 K HN 0.200 nan 8.250 nan 0.000 0.447 128 V N 1.445 121.295 119.914 -0.106 0.000 2.789 128 V HA 0.326 4.445 4.120 -0.000 0.000 0.311 128 V C -1.513 174.557 176.094 -0.041 0.000 1.073 128 V CA -0.534 61.710 62.300 -0.092 0.000 0.921 128 V CB 1.902 33.672 31.823 -0.089 0.000 1.009 128 V HN 0.860 nan 8.190 nan 0.000 0.426 129 E N 5.364 125.549 120.200 -0.024 0.000 2.176 129 E HA 0.582 4.932 4.350 -0.000 0.000 0.267 129 E C -1.484 175.112 176.600 -0.007 0.000 0.893 129 E CA -0.642 55.771 56.400 0.022 0.000 0.761 129 E CB 1.661 31.420 29.700 0.098 0.000 1.133 129 E HN 0.691 nan 8.360 nan 0.000 0.409 130 I N 3.828 124.395 120.570 -0.005 0.000 2.382 130 I HA 0.614 4.783 4.170 -0.000 0.000 0.286 130 I C -0.467 175.647 176.117 -0.004 0.000 1.002 130 I CA -0.456 60.831 61.300 -0.021 0.000 1.135 130 I CB 1.627 39.610 38.000 -0.028 0.000 1.288 130 I HN 0.574 nan 8.210 nan 0.000 0.448 131 A N 4.353 127.167 122.820 -0.010 0.000 2.587 131 A HA 0.687 5.007 4.320 -0.000 0.000 0.293 131 A C -1.649 175.928 177.584 -0.011 0.000 1.087 131 A CA -0.719 51.321 52.037 0.005 0.000 0.692 131 A CB 1.550 20.576 19.000 0.043 0.000 1.291 131 A HN 0.528 nan 8.150 nan 0.000 0.407 132 D N 0.379 120.776 120.400 -0.004 0.000 2.210 132 D HA 0.523 5.163 4.640 -0.000 0.000 0.249 132 D C -0.693 175.610 176.300 0.005 0.000 1.078 132 D CA 0.287 54.283 54.000 -0.007 0.000 0.875 132 D CB 1.652 42.447 40.800 -0.008 0.000 1.175 132 D HN 0.226 nan 8.370 nan 0.000 0.440 133 V N 3.504 123.430 119.914 0.019 0.000 2.447 133 V HA 0.288 4.408 4.120 -0.000 0.000 0.292 133 V C -0.303 175.789 176.094 -0.003 0.000 1.021 133 V CA -0.900 61.419 62.300 0.031 0.000 0.850 133 V CB 1.587 33.514 31.823 0.173 0.000 1.005 133 V HN 0.419 nan 8.190 nan 0.000 0.426 134 D N 2.489 122.861 120.400 -0.048 0.000 2.487 134 D HA 0.253 4.893 4.640 -0.000 0.000 0.262 134 D C 0.130 176.358 176.300 -0.119 0.000 1.130 134 D CA -0.852 53.114 54.000 -0.056 0.000 1.038 134 D CB 1.231 42.006 40.800 -0.041 0.000 1.142 134 D HN 0.434 nan 8.370 nan 0.000 0.575 135 K N -0.073 120.266 120.400 -0.101 0.000 2.476 135 K HA 0.002 4.322 4.320 -0.000 0.000 0.273 135 K C 0.840 177.321 176.600 -0.199 0.000 1.056 135 K CA 1.177 57.375 56.287 -0.149 0.000 1.150 135 K CB -0.406 32.059 32.500 -0.059 0.000 0.838 135 K HN 0.691 nan 8.250 nan 0.000 0.486 136 G N 2.273 110.829 108.800 -0.406 0.000 2.176 136 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.253 136 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.253 136 G C 0.264 175.013 174.900 -0.251 0.000 0.979 136 G CA -0.139 44.795 45.100 -0.278 0.000 0.641 136 G HN 0.965 nan 8.290 nan 0.000 0.530 137 G N -0.484 108.101 108.800 -0.359 0.000 2.412 137 G HA2 0.710 4.670 3.960 -0.000 0.000 0.318 137 G HA3 0.710 4.670 3.960 -0.000 0.000 0.318 137 G C -0.058 174.618 174.900 -0.374 0.000 1.146 137 G CA -0.802 44.133 45.100 -0.276 0.000 0.882 137 G HN 0.586 nan 8.290 nan 0.000 0.501 138 L N -0.107 120.918 121.223 -0.330 0.000 2.334 138 L HA 0.733 5.073 4.340 -0.000 0.000 0.270 138 L C -0.567 176.130 176.870 -0.288 0.000 1.018 138 L CA -1.009 53.531 54.840 -0.499 0.000 0.811 138 L CB 2.017 43.816 42.059 -0.433 0.000 1.271 138 L HN 0.812 nan 8.230 nan 0.000 0.443 139 W N 0.940 121.980 121.300 -0.434 0.000 3.033 139 W HA 0.623 5.283 4.660 -0.000 0.000 0.336 139 W C -1.922 174.404 176.519 -0.322 0.000 1.173 139 W CA -1.398 55.780 57.345 -0.279 0.000 1.185 139 W CB 0.505 29.712 29.460 -0.422 0.000 1.425 139 W HN 0.305 nan 8.180 nan 0.000 0.536 140 Y N 3.261 123.641 120.300 0.133 0.000 2.338 140 Y HA 0.628 5.178 4.550 -0.000 0.000 0.333 140 Y C -1.785 174.246 175.900 0.218 0.000 0.968 140 Y CA -2.031 56.060 58.100 -0.015 0.000 1.123 140 Y CB 0.949 39.323 38.460 -0.144 0.000 1.165 140 Y HN 0.334 nan 8.280 nan 0.000 0.452 141 F N 7.762 127.441 119.950 -0.452 0.000 2.347 141 F HA 0.472 4.998 4.527 -0.000 0.000 0.366 141 F C -2.275 173.070 175.800 -0.758 0.000 1.107 141 F CA -3.657 54.066 58.000 -0.462 0.000 1.058 141 F CB 0.815 39.550 39.000 -0.442 0.000 1.236 141 F HN 0.404 nan 8.300 nan 0.000 0.456 142 P HA -0.000 nan 4.420 nan 0.000 0.266 142 P C 0.043 177.090 177.300 -0.422 0.000 1.193 142 P CA -0.057 62.589 63.100 -0.756 0.000 0.770 142 P CB 0.505 31.237 31.700 -1.614 0.000 0.836 143 R N 2.355 122.781 120.500 -0.123 0.000 2.504 143 R HA 0.067 4.407 4.340 -0.000 0.000 0.302 143 R C 1.595 178.014 176.300 0.198 0.000 0.893 143 R CA 1.765 57.928 56.100 0.105 0.000 1.138 143 R CB -1.089 29.300 30.300 0.148 0.000 0.880 143 R HN 0.898 nan 8.270 nan 0.000 0.415 144 G N 2.222 111.194 108.800 0.288 0.000 2.184 144 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.264 144 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.264 144 G C -0.480 174.621 174.900 0.334 0.000 0.975 144 G CA 0.037 45.325 45.100 0.312 0.000 0.642 144 G HN 0.535 nan 8.290 nan 0.000 0.536 145 W N 1.148 122.457 121.300 0.015 0.000 2.218 145 W HA 0.617 5.277 4.660 -0.000 0.000 0.326 145 W C 0.992 177.476 176.519 -0.058 0.000 1.276 145 W CA -0.566 56.740 57.345 -0.065 0.000 1.210 145 W CB 0.297 29.712 29.460 -0.074 0.000 1.143 145 W HN 0.457 nan 8.180 nan 0.000 0.563 146 G N 2.937 111.751 108.800 0.024 0.000 2.467 146 G HA2 0.542 4.501 3.960 -0.000 0.000 0.257 146 G HA3 0.542 4.501 3.960 -0.000 0.000 0.257 146 G C -0.578 174.181 174.900 -0.235 0.000 1.227 146 G CA -0.283 44.732 45.100 -0.142 0.000 0.835 146 G HN 0.668 nan 8.290 nan 0.000 0.556 147 H N -1.682 117.138 119.070 -0.416 0.000 2.981 147 H HA 0.734 5.290 4.556 -0.000 0.000 0.327 147 H C -0.925 174.141 175.328 -0.436 0.000 1.342 147 H CA -0.515 55.164 56.048 -0.615 0.000 1.123 147 H CB 1.287 30.333 29.762 -1.194 0.000 1.851 147 H HN 0.888 nan 8.280 nan 0.000 0.531 148 S N 0.468 116.028 115.700 -0.235 0.000 2.570 148 S HA 0.717 5.187 4.470 -0.000 0.000 0.270 148 S C -1.309 173.222 174.600 -0.116 0.000 1.149 148 S CA -0.890 57.243 58.200 -0.111 0.000 0.837 148 S CB 1.799 64.944 63.200 -0.093 0.000 1.124 148 S HN 0.594 nan 8.310 nan 0.000 0.465 149 I N 1.121 121.660 120.570 -0.052 0.000 2.534 149 I HA 0.539 4.709 4.170 -0.000 0.000 0.288 149 I C -0.585 175.508 176.117 -0.039 0.000 1.077 149 I CA -0.348 60.866 61.300 -0.143 0.000 1.051 149 I CB 2.093 39.998 38.000 -0.158 0.000 1.234 149 I HN 0.861 nan 8.210 nan 0.000 0.425 150 E N 4.072 124.239 120.200 -0.055 0.000 2.238 150 E HA 0.636 4.986 4.350 -0.000 0.000 0.267 150 E C -0.431 176.193 176.600 0.041 0.000 0.887 150 E CA -0.836 55.573 56.400 0.015 0.000 0.769 150 E CB 2.082 31.785 29.700 0.006 0.000 1.187 150 E HN 0.760 nan 8.360 nan 0.000 0.416 151 G N 5.225 114.081 108.800 0.093 0.000 2.351 151 G HA2 0.380 4.340 3.960 -0.000 0.000 0.287 151 G HA3 0.380 4.340 3.960 -0.000 0.000 0.287 151 G C 0.344 175.285 174.900 0.070 0.000 1.159 151 G CA -0.486 44.678 45.100 0.108 0.000 0.929 151 G HN 0.563 nan 8.290 nan 0.000 0.435 152 I N 0.979 121.581 120.570 0.054 0.000 3.210 152 I HA 0.840 5.010 4.170 -0.000 0.000 0.316 152 I C 0.802 176.946 176.117 0.044 0.000 1.067 152 I CA -1.011 60.313 61.300 0.040 0.000 1.047 152 I CB 1.339 39.353 38.000 0.024 0.000 1.352 152 I HN 0.455 nan 8.210 nan 0.000 0.565 153 G N 1.057 109.878 108.800 0.035 0.000 2.588 153 G HA2 0.482 4.442 3.960 -0.000 0.000 0.278 153 G HA3 0.482 4.442 3.960 -0.000 0.000 0.278 153 G C -2.114 172.806 174.900 0.033 0.000 1.307 153 G CA -0.912 44.209 45.100 0.035 0.000 1.016 153 G HN 0.690 nan 8.290 nan 0.000 0.503 154 P HA 0.280 nan 4.420 nan 0.000 0.272 154 P C -0.596 176.727 177.300 0.039 0.000 1.408 154 P CA 0.015 63.135 63.100 0.033 0.000 0.996 154 P CB 0.887 32.603 31.700 0.027 0.000 1.481 155 D N -0.742 119.685 120.400 0.046 0.000 2.650 155 D HA 0.266 4.906 4.640 -0.000 0.000 0.255 155 D C -0.108 176.232 176.300 0.066 0.000 1.135 155 D CA -0.166 53.865 54.000 0.053 0.000 1.099 155 D CB 0.852 41.683 40.800 0.051 0.000 1.273 155 D HN -0.266 nan 8.370 nan 0.000 0.628 156 T N 0.526 115.123 114.554 0.072 0.000 2.780 156 T HA 0.528 4.878 4.350 -0.000 0.000 0.294 156 T C -0.054 174.704 174.700 0.097 0.000 0.949 156 T CA -0.467 61.684 62.100 0.084 0.000 1.074 156 T CB 0.861 69.778 68.868 0.082 0.000 0.910 156 T HN 0.353 nan 8.240 nan 0.000 0.501 157 A N 4.526 127.422 122.820 0.126 0.000 2.328 157 A HA 0.558 4.878 4.320 -0.000 0.000 0.284 157 A C 0.093 177.757 177.584 0.134 0.000 1.160 157 A CA -0.606 51.538 52.037 0.178 0.000 0.818 157 A CB 0.356 19.517 19.000 0.268 0.000 1.087 157 A HN 0.789 nan 8.150 nan 0.000 0.504 158 K N 2.005 122.466 120.400 0.102 0.000 2.397 158 K HA 0.656 4.976 4.320 -0.000 0.000 0.253 158 K C -1.404 175.178 176.600 -0.030 0.000 0.932 158 K CA -0.248 55.975 56.287 -0.108 0.000 0.795 158 K CB 1.962 34.486 32.500 0.040 0.000 1.159 158 K HN 0.681 nan 8.250 nan 0.000 0.424 159 F N -0.426 119.392 119.950 -0.220 0.000 2.662 159 F HA 0.597 5.124 4.527 -0.000 0.000 0.312 159 F C -1.334 174.344 175.800 -0.203 0.000 1.113 159 F CA -1.514 56.362 58.000 -0.206 0.000 0.951 159 F CB 1.018 39.884 39.000 -0.223 0.000 1.344 159 F HN 0.160 nan 8.300 nan 0.000 0.462 160 L N 2.811 124.065 121.223 0.052 0.000 2.322 160 L HA 0.606 4.946 4.340 -0.000 0.000 0.281 160 L C -0.939 175.924 176.870 -0.010 0.000 1.014 160 L CA -0.819 54.049 54.840 0.046 0.000 0.815 160 L CB 1.835 43.925 42.059 0.051 0.000 1.247 160 L HN 0.557 nan 8.230 nan 0.000 0.421 161 L N 4.175 125.404 121.223 0.010 0.000 2.313 161 L HA 0.598 4.938 4.340 -0.000 0.000 0.283 161 L C -0.610 175.998 176.870 -0.436 0.000 1.013 161 L CA -0.798 53.903 54.840 -0.232 0.000 0.816 161 L CB 1.910 43.940 42.059 -0.048 0.000 1.236 161 L HN 0.267 nan 8.230 nan 0.000 0.419 162 V N 3.249 122.812 119.914 -0.585 0.000 2.459 162 V HA 0.493 4.613 4.120 -0.000 0.000 0.295 162 V C -0.552 175.069 176.094 -0.789 0.000 1.029 162 V CA -0.424 61.471 62.300 -0.676 0.000 0.874 162 V CB 1.705 33.149 31.823 -0.631 0.000 0.985 162 V HN 0.380 nan 8.190 nan 0.000 0.438 163 F N 2.753 122.478 119.950 -0.375 0.000 2.520 163 F HA 0.418 4.945 4.527 -0.000 0.000 0.322 163 F C 0.662 176.315 175.800 -0.246 0.000 1.103 163 F CA -1.042 56.743 58.000 -0.358 0.000 0.926 163 F CB 1.625 40.278 39.000 -0.579 0.000 1.154 163 F HN 0.610 nan 8.300 nan 0.000 0.453 164 N N 1.205 119.898 118.700 -0.012 0.000 3.243 164 N HA 0.130 4.870 4.740 -0.000 0.000 0.310 164 N C -1.300 174.229 175.510 0.033 0.000 1.313 164 N CA 0.016 53.056 53.050 -0.016 0.000 1.204 164 N CB -0.111 38.355 38.487 -0.036 0.000 1.483 164 N HN 0.540 nan 8.380 nan 0.000 0.553 165 D N -1.313 119.121 120.400 0.056 0.000 2.484 165 D HA 0.211 4.851 4.640 -0.000 0.000 0.206 165 D C 0.774 177.119 176.300 0.075 0.000 1.322 165 D CA -0.549 53.495 54.000 0.074 0.000 0.913 165 D CB 0.613 41.482 40.800 0.115 0.000 1.559 165 D HN 0.144 nan 8.370 nan 0.000 0.565 166 G N 1.770 110.578 108.800 0.012 0.000 2.559 166 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.216 166 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.216 166 G C 1.128 175.979 174.900 -0.081 0.000 1.126 166 G CA 1.322 46.384 45.100 -0.063 0.000 0.778 166 G HN 0.545 nan 8.290 nan 0.000 0.543 167 T N -2.501 112.065 114.554 0.020 0.000 3.122 167 T HA 0.308 4.658 4.350 -0.000 0.000 0.250 167 T C 0.541 175.358 174.700 0.196 0.000 1.067 167 T CA -0.809 61.340 62.100 0.082 0.000 0.966 167 T CB -0.297 68.612 68.868 0.068 0.000 1.002 167 T HN 0.050 nan 8.240 nan 0.000 0.542 168 F N 2.809 122.774 119.950 0.025 0.000 2.518 168 F HA 0.509 5.036 4.527 -0.000 0.000 0.359 168 F C 0.241 176.034 175.800 -0.011 0.000 1.118 168 F CA -0.256 57.692 58.000 -0.086 0.000 1.287 168 F CB 0.844 39.650 39.000 -0.324 0.000 1.132 168 F HN 0.125 nan 8.300 nan 0.000 0.587 169 S N 3.977 118.968 115.700 -1.181 0.000 2.547 169 S HA 0.233 4.703 4.470 -0.000 0.000 0.281 169 S C 0.330 174.331 174.600 -0.998 0.000 1.118 169 S CA -0.656 57.075 58.200 -0.783 0.000 0.947 169 S CB 1.587 64.469 63.200 -0.529 0.000 1.053 169 S HN 0.823 nan 8.310 nan 0.000 0.482 170 E N 3.208 123.150 120.200 -0.429 0.000 2.338 170 E HA 0.091 4.440 4.350 -0.000 0.000 0.197 170 E C 1.691 178.180 176.600 -0.186 0.000 1.007 170 E CA 1.337 57.644 56.400 -0.155 0.000 0.849 170 E CB -0.348 29.461 29.700 0.181 0.000 0.774 170 E HN 0.814 nan 8.360 nan 0.000 0.506 171 G N -0.680 107.941 108.800 -0.298 0.000 2.744 171 G HA2 0.028 3.988 3.960 -0.000 0.000 0.211 171 G HA3 0.028 3.988 3.960 -0.000 0.000 0.211 171 G C 0.878 175.589 174.900 -0.314 0.000 1.143 171 G CA 0.401 45.325 45.100 -0.293 0.000 0.788 171 G HN 0.267 nan 8.290 nan 0.000 0.534 172 A N 0.683 123.268 122.820 -0.392 0.000 2.701 172 A HA 0.538 4.858 4.320 -0.000 0.000 0.297 172 A C 0.981 178.354 177.584 -0.351 0.000 1.197 172 A CA 0.246 52.044 52.037 -0.399 0.000 0.963 172 A CB -0.327 18.438 19.000 -0.392 0.000 1.175 172 A HN 0.296 nan 8.150 nan 0.000 0.531 173 T N -2.857 111.544 114.554 -0.255 0.000 2.918 173 T HA 0.641 4.991 4.350 -0.000 0.000 0.283 173 T C -0.366 174.142 174.700 -0.320 0.000 1.001 173 T CA -0.432 61.630 62.100 -0.063 0.000 1.041 173 T CB 0.526 69.439 68.868 0.075 0.000 1.028 173 T HN 0.129 nan 8.240 nan 0.000 0.511 174 F N 1.887 121.516 119.950 -0.535 0.000 2.404 174 F HA 0.380 4.907 4.527 -0.000 0.000 0.359 174 F C 1.281 176.683 175.800 -0.663 0.000 1.134 174 F CA -0.616 56.810 58.000 -0.958 0.000 1.160 174 F CB 0.838 38.520 39.000 -2.197 0.000 1.186 174 F HN 0.643 nan 8.300 nan 0.000 0.526 175 S N 3.297 118.853 115.700 -0.240 0.000 2.489 175 S HA 0.149 4.619 4.470 -0.000 0.000 0.277 175 S C 0.946 175.639 174.600 0.155 0.000 1.230 175 S CA -0.709 57.486 58.200 -0.009 0.000 1.053 175 S CB 1.421 64.614 63.200 -0.011 0.000 0.955 175 S HN 0.577 nan 8.310 nan 0.000 0.488 176 V N 5.262 125.344 119.914 0.281 0.000 2.490 176 V HA -0.116 4.003 4.120 -0.000 0.000 0.250 176 V C 2.484 178.747 176.094 0.283 0.000 1.061 176 V CA 2.848 65.398 62.300 0.417 0.000 1.064 176 V CB -1.116 30.905 31.823 0.329 0.000 0.670 176 V HN 1.109 nan 8.190 nan 0.000 0.461 177 T N -2.780 111.880 114.554 0.177 0.000 2.821 177 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 177 T C 1.742 176.541 174.700 0.165 0.000 1.046 177 T CA 1.549 63.728 62.100 0.132 0.000 1.139 177 T CB -0.554 68.368 68.868 0.090 0.000 0.871 177 T HN 0.521 nan 8.240 nan 0.000 0.454 178 D N 0.022 120.512 120.400 0.150 0.000 2.097 178 D HA -0.102 4.538 4.640 -0.000 0.000 0.197 178 D C 1.637 178.091 176.300 0.257 0.000 0.984 178 D CA 0.843 54.913 54.000 0.116 0.000 0.826 178 D CB -0.509 40.252 40.800 -0.066 0.000 0.973 178 D HN 0.439 nan 8.370 nan 0.000 0.460 179 W N 1.447 122.786 121.300 0.065 0.000 2.311 179 W HA -0.168 4.491 4.660 -0.000 0.000 0.326 179 W C 2.154 178.757 176.519 0.140 0.000 1.239 179 W CA 1.319 58.743 57.345 0.131 0.000 1.258 179 W CB -1.066 28.525 29.460 0.219 0.000 1.165 179 W HN 0.055 nan 8.180 nan 0.000 0.466 180 L N 1.025 122.350 121.223 0.169 0.000 2.131 180 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 180 L C 2.559 179.457 176.870 0.046 0.000 1.092 180 L CA 1.786 56.604 54.840 -0.037 0.000 0.759 180 L CB -1.324 40.679 42.059 -0.093 0.000 0.903 180 L HN 0.089 nan 8.230 nan 0.000 0.435 181 S N -2.062 113.721 115.700 0.139 0.000 2.515 181 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 181 S C 1.056 175.661 174.600 0.007 0.000 0.987 181 S CA 0.485 58.740 58.200 0.092 0.000 0.936 181 S CB -0.381 62.903 63.200 0.140 0.000 0.766 181 S HN 0.488 nan 8.310 nan 0.000 0.528 182 H N 0.925 120.038 119.070 0.071 0.000 2.467 182 H HA 0.464 5.020 4.556 -0.000 0.000 0.275 182 H C -0.513 174.857 175.328 0.070 0.000 1.131 182 H CA -0.125 55.963 56.048 0.066 0.000 0.989 182 H CB 0.420 30.233 29.762 0.086 0.000 1.696 182 H HN 0.254 nan 8.280 nan 0.000 0.574 183 T N 1.038 115.637 114.554 0.074 0.000 2.893 183 T HA 0.341 4.690 4.350 -0.000 0.000 0.291 183 T C -2.577 172.046 174.700 -0.128 0.000 1.028 183 T CA -1.731 60.357 62.100 -0.020 0.000 0.995 183 T CB 2.070 70.920 68.868 -0.031 0.000 1.051 183 T HN -0.063 nan 8.240 nan 0.000 0.470 184 P HA 0.179 nan 4.420 nan 0.000 0.267 184 P C 1.173 178.410 177.300 -0.106 0.000 1.209 184 P CA -0.352 62.561 63.100 -0.311 0.000 0.763 184 P CB 0.286 31.529 31.700 -0.761 0.000 0.816 185 I N 2.697 123.239 120.570 -0.047 0.000 2.113 185 I HA -0.362 3.808 4.170 -0.000 0.000 0.242 185 I C 2.103 178.272 176.117 0.088 0.000 1.057 185 I CA 2.452 63.764 61.300 0.019 0.000 1.314 185 I CB -1.857 36.154 38.000 0.019 0.000 1.022 185 I HN 0.393 nan 8.210 nan 0.000 0.408 186 A N 0.256 123.157 122.820 0.134 0.000 1.927 186 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 186 A C 2.000 179.762 177.584 0.296 0.000 1.185 186 A CA 2.103 54.269 52.037 0.215 0.000 0.639 186 A CB -1.046 18.117 19.000 0.270 0.000 0.820 186 A HN 0.535 nan 8.150 nan 0.000 0.451 187 W N -0.392 120.890 121.300 -0.029 0.000 2.409 187 W HA -0.010 4.650 4.660 -0.000 0.000 0.299 187 W C 2.338 178.803 176.519 -0.090 0.000 1.203 187 W CA 0.829 58.145 57.345 -0.048 0.000 1.298 187 W CB -1.356 28.082 29.460 -0.038 0.000 1.127 187 W HN 0.136 nan 8.180 nan 0.000 0.528 188 V N 0.570 120.561 119.914 0.129 0.000 2.343 188 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 188 V C 2.026 178.086 176.094 -0.056 0.000 1.051 188 V CA 2.133 64.412 62.300 -0.035 0.000 1.036 188 V CB -1.012 30.772 31.823 -0.066 0.000 0.654 188 V HN 0.159 nan 8.190 nan 0.000 0.451 189 E N 0.110 120.330 120.200 0.033 0.000 2.065 189 E HA -0.330 4.020 4.350 -0.000 0.000 0.201 189 E C 2.283 178.893 176.600 0.016 0.000 1.016 189 E CA 1.913 58.351 56.400 0.064 0.000 0.818 189 E CB -0.205 29.552 29.700 0.096 0.000 0.749 189 E HN 0.714 nan 8.360 nan 0.000 0.453 190 E N 0.654 120.857 120.200 0.005 0.000 2.051 190 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 190 E C 1.938 178.491 176.600 -0.078 0.000 0.991 190 E CA 1.360 57.739 56.400 -0.036 0.000 0.799 190 E CB -0.044 29.615 29.700 -0.068 0.000 0.748 190 E HN 0.160 nan 8.360 nan 0.000 0.449 191 N N -0.558 118.079 118.700 -0.106 0.000 2.120 191 N HA -0.108 4.632 4.740 -0.000 0.000 0.188 191 N C 1.708 177.094 175.510 -0.207 0.000 1.024 191 N CA 0.916 53.875 53.050 -0.153 0.000 0.852 191 N CB 0.091 38.472 38.487 -0.176 0.000 1.003 191 N HN 0.139 nan 8.380 nan 0.000 0.424 192 L N -0.640 120.404 121.223 -0.297 0.000 2.509 192 L HA 0.216 4.555 4.340 -0.000 0.000 0.222 192 L C 0.844 177.575 176.870 -0.232 0.000 1.123 192 L CA 0.224 54.776 54.840 -0.481 0.000 0.856 192 L CB -0.420 40.969 42.059 -1.117 0.000 0.985 192 L HN 0.244 nan 8.230 nan 0.000 0.456 193 G N 0.219 108.984 108.800 -0.059 0.000 2.367 193 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.295 193 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.295 193 G C -0.737 174.363 174.900 0.335 0.000 1.019 193 G CA -0.150 45.007 45.100 0.095 0.000 1.224 193 G HN 0.207 nan 8.290 nan 0.000 0.510 194 W N -0.615 120.673 121.300 -0.019 0.000 2.975 194 W HA 0.751 5.411 4.660 -0.000 0.000 0.342 194 W C 0.903 177.417 176.519 -0.010 0.000 1.168 194 W CA -0.520 56.816 57.345 -0.016 0.000 1.141 194 W CB 0.964 30.413 29.460 -0.019 0.000 1.445 194 W HN 0.608 nan 8.180 nan 0.000 0.560 195 T N -1.336 113.317 114.554 0.166 0.000 2.824 195 T HA 0.542 4.892 4.350 -0.000 0.000 0.277 195 T C 1.044 175.804 174.700 0.100 0.000 0.975 195 T CA 0.135 62.286 62.100 0.086 0.000 0.966 195 T CB 1.238 70.113 68.868 0.011 0.000 1.054 195 T HN 0.490 nan 8.240 nan 0.000 0.533 196 A N 0.815 123.674 122.820 0.066 0.000 1.908 196 A HA 0.157 4.477 4.320 -0.000 0.000 0.218 196 A C 2.638 180.251 177.584 0.048 0.000 1.181 196 A CA 1.897 53.971 52.037 0.062 0.000 0.627 196 A CB -1.589 17.435 19.000 0.041 0.000 0.818 196 A HN 1.260 nan 8.150 nan 0.000 0.445 197 A N -0.886 121.944 122.820 0.016 0.000 1.972 197 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 197 A C 2.119 179.683 177.584 -0.032 0.000 1.169 197 A CA 1.622 53.653 52.037 -0.010 0.000 0.635 197 A CB -0.462 18.520 19.000 -0.029 0.000 0.810 197 A HN 0.685 nan 8.150 nan 0.000 0.446 198 Q N -0.571 119.195 119.800 -0.058 0.000 2.020 198 Q HA -0.087 4.253 4.340 -0.000 0.000 0.198 198 Q C 2.156 178.205 176.000 0.081 0.000 0.974 198 Q CA 1.569 57.267 55.803 -0.175 0.000 0.829 198 Q CB -0.347 28.105 28.738 -0.478 0.000 0.894 198 Q HN 0.473 nan 8.270 nan 0.000 0.433 199 V N 1.470 121.556 119.914 0.287 0.000 2.392 199 V HA -0.302 3.818 4.120 -0.000 0.000 0.249 199 V C 2.336 178.526 176.094 0.159 0.000 1.059 199 V CA 1.709 64.200 62.300 0.317 0.000 1.051 199 V CB -1.165 30.791 31.823 0.221 0.000 0.658 199 V HN 0.406 nan 8.190 nan 0.000 0.455 200 A N -0.641 122.233 122.820 0.090 0.000 2.042 200 A HA -0.337 3.983 4.320 -0.000 0.000 0.222 200 A C 2.114 179.724 177.584 0.044 0.000 1.167 200 A CA 2.197 54.264 52.037 0.049 0.000 0.649 200 A CB -0.486 18.529 19.000 0.026 0.000 0.809 200 A HN 0.705 nan 8.150 nan 0.000 0.457 201 Q N -0.889 118.940 119.800 0.050 0.000 2.425 201 Q HA 0.288 4.628 4.340 -0.000 0.000 0.204 201 Q C 0.016 176.043 176.000 0.045 0.000 0.933 201 Q CA -0.313 55.508 55.803 0.029 0.000 0.939 201 Q CB 0.037 28.771 28.738 -0.006 0.000 1.044 201 Q HN 0.627 nan 8.270 nan 0.000 0.513 202 L N 1.859 123.136 121.223 0.089 0.000 2.464 202 L HA 0.163 4.503 4.340 -0.000 0.000 0.264 202 L C -1.960 174.934 176.870 0.039 0.000 1.199 202 L CA -1.945 52.941 54.840 0.076 0.000 0.818 202 L CB -0.160 41.958 42.059 0.098 0.000 1.102 202 L HN -0.089 nan 8.230 nan 0.000 0.473 203 P HA 0.063 nan 4.420 nan 0.000 0.269 203 P C -0.467 176.862 177.300 0.049 0.000 1.209 203 P CA -0.106 63.014 63.100 0.033 0.000 0.776 203 P CB 0.536 32.259 31.700 0.037 0.000 0.876 204 K N 1.040 121.468 120.400 0.046 0.000 2.444 204 K HA 0.048 4.368 4.320 -0.000 0.000 0.193 204 K C 0.624 177.265 176.600 0.068 0.000 1.024 204 K CA 0.485 56.795 56.287 0.039 0.000 1.077 204 K CB 0.012 32.527 32.500 0.024 0.000 0.833 204 K HN 0.489 nan 8.250 nan 0.000 0.517 205 K N -1.369 119.094 120.400 0.104 0.000 2.672 205 K HA 0.091 4.411 4.320 -0.000 0.000 0.295 205 K C -1.450 175.221 176.600 0.119 0.000 1.042 205 K CA -1.052 55.325 56.287 0.149 0.000 0.869 205 K CB 0.519 33.086 32.500 0.111 0.000 1.541 205 K HN -0.172 nan 8.250 nan 0.000 0.396 206 Q N 1.290 121.144 119.800 0.090 0.000 2.247 206 Q HA 0.045 4.385 4.340 -0.000 0.000 0.288 206 Q C 0.146 176.205 176.000 0.099 0.000 1.079 206 Q CA -0.133 55.711 55.803 0.069 0.000 0.932 206 Q CB 0.947 29.694 28.738 0.014 0.000 1.133 206 Q HN 0.530 nan 8.270 nan 0.000 0.377 207 V N 5.066 125.040 119.914 0.101 0.000 2.407 207 V HA -0.185 3.934 4.120 -0.000 0.000 0.245 207 V C 1.048 177.234 176.094 0.154 0.000 1.041 207 V CA 1.928 64.295 62.300 0.111 0.000 1.040 207 V CB -1.082 30.785 31.823 0.074 0.000 0.671 207 V HN 1.078 nan 8.190 nan 0.000 0.455 208 Y N -0.751 119.517 120.300 -0.054 0.000 2.750 208 Y HA -0.367 4.182 4.550 -0.000 0.000 0.477 208 Y C 0.495 176.297 175.900 -0.163 0.000 1.138 208 Y CA 1.721 59.727 58.100 -0.158 0.000 2.829 208 Y CB -0.761 37.530 38.460 -0.283 0.000 1.073 208 Y HN 0.168 nan 8.280 nan 0.000 0.590 209 I N 0.573 121.072 120.570 -0.119 0.000 2.647 209 I HA 0.488 4.658 4.170 -0.000 0.000 0.295 209 I C -0.615 175.545 176.117 0.072 0.000 1.078 209 I CA -0.350 60.896 61.300 -0.091 0.000 1.048 209 I CB 1.963 39.922 38.000 -0.068 0.000 1.239 209 I HN 0.242 nan 8.210 nan 0.000 0.421 210 S N 2.515 118.262 115.700 0.079 0.000 2.541 210 S HA 0.473 4.943 4.470 -0.000 0.000 0.280 210 S C -0.432 174.250 174.600 0.137 0.000 1.112 210 S CA -0.286 57.990 58.200 0.127 0.000 0.925 210 S CB 1.803 65.073 63.200 0.116 0.000 1.067 210 S HN 0.540 nan 8.310 nan 0.000 0.479 211 S N 3.031 118.826 115.700 0.159 0.000 2.711 211 S HA 0.196 4.666 4.470 -0.000 0.000 0.247 211 S C 0.268 174.952 174.600 0.140 0.000 1.079 211 S CA -0.450 57.829 58.200 0.132 0.000 1.050 211 S CB -0.211 63.053 63.200 0.107 0.000 0.885 211 S HN 0.758 nan 8.310 nan 0.000 0.498 212 Y N 2.516 122.848 120.300 0.054 0.000 2.263 212 Y HA 0.322 4.871 4.550 -0.000 0.000 0.292 212 Y C 1.096 177.020 175.900 0.040 0.000 1.130 212 Y CA 1.552 59.680 58.100 0.048 0.000 1.179 212 Y CB -0.024 38.465 38.460 0.050 0.000 0.998 212 Y HN 0.414 nan 8.280 nan 0.000 0.532 213 G N 0.414 109.366 108.800 0.254 0.000 2.592 213 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.684 213 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.684 213 G C -2.608 172.428 174.900 0.227 0.000 1.291 213 G CA -0.729 44.459 45.100 0.147 0.000 0.891 213 G HN 0.311 nan 8.290 nan 0.000 0.544 214 P HA 0.585 nan 4.420 nan 0.000 0.274 214 P C 0.552 177.888 177.300 0.060 0.000 1.237 214 P CA 0.412 63.552 63.100 0.066 0.000 0.793 214 P CB 0.581 32.311 31.700 0.050 0.000 0.977 215 A N 1.683 124.528 122.820 0.042 0.000 2.475 215 A HA 0.229 4.549 4.320 -0.000 0.000 0.239 215 A C 0.613 178.216 177.584 0.032 0.000 1.087 215 A CA 0.155 52.215 52.037 0.038 0.000 0.779 215 A CB -0.554 18.465 19.000 0.031 0.000 1.036 215 A HN 0.537 nan 8.150 nan 0.000 0.506 216 S N -0.632 115.085 115.700 0.027 0.000 2.585 216 S HA 0.562 5.031 4.470 -0.000 0.000 0.277 216 S C 0.816 175.425 174.600 0.015 0.000 1.241 216 S CA -0.030 58.182 58.200 0.020 0.000 1.041 216 S CB 1.341 64.549 63.200 0.013 0.000 0.987 216 S HN 1.137 nan 8.310 nan 0.000 0.512 217 G N 1.883 110.690 108.800 0.012 0.000 2.588 217 G HA2 0.477 4.437 3.960 -0.000 0.000 0.281 217 G HA3 0.477 4.437 3.960 -0.000 0.000 0.281 217 G C -2.664 172.240 174.900 0.007 0.000 1.236 217 G CA -1.280 43.826 45.100 0.010 0.000 0.969 217 G HN 0.443 nan 8.290 nan 0.000 0.504 218 P HA -0.016 nan 4.420 nan 0.000 0.267 218 P C 1.062 178.363 177.300 0.002 0.000 1.195 218 P CA -0.516 62.586 63.100 0.004 0.000 0.773 218 P CB 0.571 32.273 31.700 0.003 0.000 0.837 219 L N 3.235 124.458 121.223 -0.000 0.000 2.079 219 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 219 L C 2.025 178.894 176.870 -0.002 0.000 1.081 219 L CA 2.410 57.249 54.840 -0.002 0.000 0.752 219 L CB -1.469 40.588 42.059 -0.003 0.000 0.896 219 L HN 0.451 nan 8.230 nan 0.000 0.433 220 A N -1.967 120.852 122.820 -0.001 0.000 2.121 220 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 220 A C 2.272 179.856 177.584 -0.001 0.000 1.154 220 A CA 1.572 53.608 52.037 -0.001 0.000 0.679 220 A CB -0.553 18.447 19.000 0.000 0.000 0.795 220 A HN 0.528 nan 8.150 nan 0.000 0.458 221 S N -0.594 115.106 115.700 -0.000 0.000 2.517 221 S HA 0.317 4.786 4.470 -0.000 0.000 0.214 221 S C 1.144 175.744 174.600 -0.001 0.000 0.991 221 S CA 0.278 58.478 58.200 0.000 0.000 0.906 221 S CB 0.066 63.267 63.200 0.002 0.000 0.789 221 S HN 0.663 nan 8.310 nan 0.000 0.513 222 A N 3.402 126.220 122.820 -0.003 0.000 3.030 222 A HA 0.354 4.674 4.320 -0.000 0.000 0.273 222 A C 0.762 178.341 177.584 -0.010 0.000 1.841 222 A CA -0.302 51.731 52.037 -0.006 0.000 1.479 222 A CB -0.992 18.002 19.000 -0.010 0.000 1.048 222 A HN 0.344 nan 8.150 nan 0.000 0.612 223 T N -0.133 114.416 114.554 -0.008 0.000 2.867 223 T HA 0.612 4.962 4.350 -0.000 0.000 0.282 223 T C -2.506 172.186 174.700 -0.014 0.000 1.000 223 T CA -1.924 60.170 62.100 -0.010 0.000 1.042 223 T CB 0.920 69.783 68.868 -0.007 0.000 0.973 223 T HN 0.260 nan 8.240 nan 0.000 0.465 224 P HA 0.127 nan 4.420 nan 0.000 0.266 224 P C 0.925 178.214 177.300 -0.018 0.000 1.193 224 P CA -0.211 62.874 63.100 -0.025 0.000 0.770 224 P CB 0.496 32.176 31.700 -0.034 0.000 0.836 225 Q N 0.517 120.307 119.800 -0.016 0.000 2.170 225 Q HA -0.027 4.313 4.340 -0.000 0.000 0.203 225 Q C 1.017 177.010 176.000 -0.011 0.000 0.976 225 Q CA 1.239 57.037 55.803 -0.008 0.000 0.858 225 Q CB -0.100 28.638 28.738 0.000 0.000 0.907 225 Q HN 0.655 nan 8.270 nan 0.000 0.433 226 G N -0.237 108.550 108.800 -0.021 0.000 2.432 226 G HA2 0.213 4.172 3.960 -0.000 0.000 0.331 226 G HA3 0.213 4.172 3.960 -0.000 0.000 0.331 226 G C -0.793 174.089 174.900 -0.029 0.000 1.170 226 G CA -0.607 44.478 45.100 -0.025 0.000 0.943 226 G HN -0.069 nan 8.290 nan 0.000 0.483 227 Q N 0.732 120.516 119.800 -0.027 0.000 2.388 227 Q HA 0.045 4.385 4.340 -0.000 0.000 0.302 227 Q C -0.229 175.748 176.000 -0.038 0.000 1.149 227 Q CA 0.934 56.720 55.803 -0.029 0.000 1.014 227 Q CB 0.061 28.783 28.738 -0.026 0.000 1.072 227 Q HN 0.414 nan 8.270 nan 0.000 0.395 228 T N 1.592 116.123 114.554 -0.039 0.000 2.928 228 T HA 0.530 4.880 4.350 -0.000 0.000 0.296 228 T C -0.368 174.305 174.700 -0.045 0.000 1.000 228 T CA -0.617 61.453 62.100 -0.050 0.000 0.989 228 T CB 1.544 70.377 68.868 -0.058 0.000 1.005 228 T HN 0.571 nan 8.240 nan 0.000 0.442 229 A N 3.699 126.489 122.820 -0.050 0.000 2.483 229 A HA 0.432 4.752 4.320 -0.000 0.000 0.238 229 A C 0.328 177.888 177.584 -0.041 0.000 1.070 229 A CA -0.093 51.919 52.037 -0.041 0.000 0.770 229 A CB 0.185 19.159 19.000 -0.044 0.000 1.008 229 A HN 0.754 nan 8.150 nan 0.000 0.497 230 K N 1.477 121.864 120.400 -0.022 0.000 2.118 230 K HA 0.443 4.763 4.320 -0.000 0.000 0.267 230 K C -0.670 175.933 176.600 0.006 0.000 0.991 230 K CA -0.332 55.950 56.287 -0.009 0.000 0.916 230 K CB 1.396 33.900 32.500 0.006 0.000 1.041 230 K HN 0.610 nan 8.250 nan 0.000 0.455 231 I N 2.496 123.079 120.570 0.021 0.000 2.556 231 I HA -0.078 4.092 4.170 -0.000 0.000 0.284 231 I C 1.356 177.542 176.117 0.115 0.000 1.114 231 I CA 0.505 61.846 61.300 0.068 0.000 1.418 231 I CB 0.509 38.568 38.000 0.099 0.000 1.394 231 I HN 0.701 nan 8.210 nan 0.000 0.552 232 E N 3.904 124.181 120.200 0.128 0.000 2.290 232 E HA 0.065 4.415 4.350 -0.000 0.000 0.197 232 E C 0.003 176.701 176.600 0.163 0.000 0.948 232 E CA 0.257 56.730 56.400 0.121 0.000 0.895 232 E CB 0.600 30.350 29.700 0.083 0.000 0.865 232 E HN 0.394 nan 8.360 nan 0.000 0.486 233 V N 4.660 124.704 119.914 0.216 0.000 2.479 233 V HA 0.052 4.172 4.120 -0.000 0.000 0.281 233 V C -2.247 174.032 176.094 0.307 0.000 1.031 233 V CA -1.208 61.226 62.300 0.225 0.000 1.038 233 V CB 0.162 32.117 31.823 0.221 0.000 0.981 233 V HN 0.047 nan 8.190 nan 0.000 0.478 234 P HA 0.088 nan 4.420 nan 0.000 0.264 234 P C -0.198 177.303 177.300 0.335 0.000 1.193 234 P CA 0.265 63.532 63.100 0.279 0.000 0.763 234 P CB 0.286 32.111 31.700 0.208 0.000 0.810 235 H N -0.941 118.361 119.070 0.386 0.000 2.592 235 H HA 0.170 4.726 4.556 -0.000 0.000 0.279 235 H C 0.757 176.418 175.328 0.554 0.000 1.089 235 H CA 0.199 56.557 56.048 0.517 0.000 1.150 235 H CB 0.172 30.204 29.762 0.450 0.000 1.575 235 H HN 0.363 nan 8.280 nan 0.000 0.547 236 T N -2.909 111.881 114.554 0.393 0.000 2.926 236 T HA 0.566 4.916 4.350 -0.000 0.000 0.289 236 T C -0.911 173.636 174.700 -0.254 0.000 1.054 236 T CA -0.843 61.342 62.100 0.141 0.000 1.015 236 T CB 2.851 71.792 68.868 0.121 0.000 1.167 236 T HN 0.300 nan 8.240 nan 0.000 0.526 237 H N -0.070 118.646 119.070 -0.590 0.000 3.068 237 H HA 0.515 5.071 4.556 -0.000 0.000 0.342 237 H C -1.639 173.445 175.328 -0.407 0.000 1.284 237 H CA -0.540 55.076 56.048 -0.721 0.000 1.181 237 H CB 1.662 30.504 29.762 -1.533 0.000 1.898 237 H HN 0.699 nan 8.280 nan 0.000 0.540 238 N N 3.769 122.016 118.700 -0.755 0.000 2.457 238 N HA 0.128 4.868 4.740 -0.000 0.000 0.250 238 N C -0.281 175.084 175.510 -0.242 0.000 0.982 238 N CA -0.418 52.391 53.050 -0.401 0.000 0.941 238 N CB 1.065 39.353 38.487 -0.331 0.000 1.120 238 N HN 0.575 nan 8.380 nan 0.000 0.505 239 L N 4.868 126.092 121.223 0.003 0.000 2.185 239 L HA 0.315 4.655 4.340 -0.000 0.000 0.198 239 L C 1.607 178.556 176.870 0.131 0.000 1.079 239 L CA 1.038 55.975 54.840 0.162 0.000 0.780 239 L CB -1.055 41.174 42.059 0.284 0.000 0.955 239 L HN 0.579 nan 8.230 nan 0.000 0.462 240 L N 0.426 121.746 121.223 0.161 0.000 2.189 240 L HA -0.037 4.303 4.340 -0.000 0.000 0.214 240 L C 1.988 178.893 176.870 0.057 0.000 1.097 240 L CA 1.987 56.910 54.840 0.138 0.000 0.764 240 L CB -1.171 40.980 42.059 0.152 0.000 0.900 240 L HN 0.386 nan 8.230 nan 0.000 0.436 241 G N -1.572 107.236 108.800 0.012 0.000 2.985 241 G HA2 -0.010 3.949 3.960 -0.000 0.000 0.209 241 G HA3 -0.010 3.949 3.960 -0.000 0.000 0.209 241 G C 0.626 175.516 174.900 -0.016 0.000 1.165 241 G CA -0.310 44.779 45.100 -0.018 0.000 0.776 241 G HN 0.443 nan 8.290 nan 0.000 0.541 242 Q N 0.338 120.144 119.800 0.008 0.000 2.417 242 Q HA 0.211 4.551 4.340 -0.000 0.000 0.241 242 Q C -0.111 175.902 176.000 0.022 0.000 1.008 242 Q CA -0.415 55.401 55.803 0.022 0.000 0.901 242 Q CB 0.659 29.436 28.738 0.065 0.000 1.259 242 Q HN 0.103 nan 8.270 nan 0.000 0.489 243 Q N 1.708 121.519 119.800 0.019 0.000 2.337 243 Q HA 0.164 4.503 4.340 -0.000 0.000 0.270 243 Q C -2.201 173.815 176.000 0.028 0.000 1.002 243 Q CA -1.685 54.129 55.803 0.018 0.000 0.888 243 Q CB -0.171 28.576 28.738 0.015 0.000 1.222 243 Q HN 0.303 nan 8.270 nan 0.000 0.400 244 P HA -0.115 nan 4.420 nan 0.000 0.258 244 P C 0.684 178.010 177.300 0.042 0.000 1.172 244 P CA 0.065 63.189 63.100 0.040 0.000 0.762 244 P CB 0.363 32.085 31.700 0.036 0.000 0.764 245 L N 5.541 126.789 121.223 0.042 0.000 2.083 245 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 245 L C 0.395 177.293 176.870 0.047 0.000 1.083 245 L CA 1.907 56.765 54.840 0.030 0.000 0.752 245 L CB 0.222 42.282 42.059 0.001 0.000 0.899 245 L HN 0.143 nan 8.230 nan 0.000 0.433 246 V N -0.705 119.261 119.914 0.086 0.000 2.851 246 V HA 0.578 4.698 4.120 -0.000 0.000 0.307 246 V C -1.022 175.185 176.094 0.188 0.000 1.129 246 V CA -0.025 62.352 62.300 0.129 0.000 0.932 246 V CB 1.995 33.900 31.823 0.137 0.000 1.024 246 V HN 0.331 nan 8.190 nan 0.000 0.426 247 S N 4.730 120.514 115.700 0.140 0.000 2.543 247 S HA 0.868 5.338 4.470 -0.000 0.000 0.271 247 S C -1.572 173.061 174.600 0.054 0.000 1.148 247 S CA -0.686 57.560 58.200 0.078 0.000 0.914 247 S CB 1.969 65.179 63.200 0.016 0.000 1.096 247 S HN 0.886 nan 8.310 nan 0.000 0.471 248 L N 2.731 123.949 121.223 -0.009 0.000 2.476 248 L HA 0.757 5.097 4.340 -0.000 0.000 0.269 248 L C 0.617 177.451 176.870 -0.060 0.000 0.965 248 L CA 1.090 55.936 54.840 0.011 0.000 0.845 248 L CB 1.395 43.519 42.059 0.109 0.000 1.259 248 L HN 1.504 nan 8.230 nan 0.000 0.403 249 G N 3.281 112.063 108.800 -0.030 0.000 2.390 249 G HA2 0.034 3.994 3.960 -0.000 0.000 0.299 249 G HA3 0.034 3.994 3.960 -0.000 0.000 0.299 249 G C 1.031 175.900 174.900 -0.053 0.000 1.002 249 G CA 0.975 46.055 45.100 -0.032 0.000 0.979 249 G HN 2.080 nan 8.290 nan 0.000 0.513 250 G N -1.460 107.303 108.800 -0.061 0.000 2.234 250 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.235 250 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.235 250 G C 0.264 175.131 174.900 -0.055 0.000 0.997 250 G CA 0.319 45.395 45.100 -0.041 0.000 0.623 250 G HN 0.988 nan 8.290 nan 0.000 0.514 251 N N 1.844 120.403 118.700 -0.235 0.000 2.499 251 N HA 0.476 5.216 4.740 -0.000 0.000 0.281 251 N C -0.288 174.865 175.510 -0.595 0.000 1.098 251 N CA 0.389 53.107 53.050 -0.553 0.000 0.979 251 N CB 0.960 38.796 38.487 -1.085 0.000 1.121 251 N HN 0.634 nan 8.380 nan 0.000 0.466 252 E N 0.941 120.919 120.200 -0.370 0.000 2.356 252 E HA 0.431 4.780 4.350 -0.000 0.000 0.275 252 E C -1.207 175.527 176.600 0.223 0.000 0.904 252 E CA -0.849 55.536 56.400 -0.025 0.000 0.757 252 E CB 2.610 32.316 29.700 0.009 0.000 1.232 252 E HN 0.213 nan 8.360 nan 0.000 0.442 253 L N 1.390 122.784 121.223 0.285 0.000 2.381 253 L HA 0.491 4.831 4.340 -0.000 0.000 0.274 253 L C -1.333 175.602 176.870 0.108 0.000 0.988 253 L CA -0.276 54.705 54.840 0.234 0.000 0.824 253 L CB 1.522 43.712 42.059 0.218 0.000 1.263 253 L HN 0.456 nan 8.230 nan 0.000 0.410 254 R N 4.488 125.035 120.500 0.077 0.000 2.437 254 R HA 0.705 5.044 4.340 -0.000 0.000 0.310 254 R C -1.582 174.730 176.300 0.020 0.000 0.955 254 R CA -0.831 55.301 56.100 0.053 0.000 0.851 254 R CB 1.920 32.264 30.300 0.074 0.000 1.161 254 R HN 0.571 nan 8.270 nan 0.000 0.446 255 L N 2.065 123.279 121.223 -0.014 0.000 2.362 255 L HA 0.638 4.978 4.340 -0.000 0.000 0.275 255 L C -1.061 175.806 176.870 -0.005 0.000 0.998 255 L CA -0.180 54.614 54.840 -0.077 0.000 0.820 255 L CB 2.030 43.946 42.059 -0.239 0.000 1.270 255 L HN 0.777 nan 8.230 nan 0.000 0.415 256 A N 3.464 126.305 122.820 0.036 0.000 2.664 256 A HA 0.666 4.986 4.320 -0.000 0.000 0.338 256 A C -0.240 177.378 177.584 0.056 0.000 1.280 256 A CA -0.066 52.013 52.037 0.069 0.000 0.809 256 A CB 0.311 19.417 19.000 0.177 0.000 1.114 256 A HN 0.738 nan 8.150 nan 0.000 0.479 257 S N 0.966 116.660 115.700 -0.010 0.000 2.745 257 S HA 0.682 5.152 4.470 -0.000 0.000 0.292 257 S C 1.373 175.945 174.600 -0.047 0.000 1.127 257 S CA 0.071 58.253 58.200 -0.030 0.000 1.007 257 S CB 1.191 64.377 63.200 -0.024 0.000 1.165 257 S HN 1.532 nan 8.310 nan 0.000 0.544 258 A N 0.398 123.169 122.820 -0.082 0.000 2.139 258 A HA -0.078 4.242 4.320 -0.000 0.000 0.221 258 A C 2.014 179.576 177.584 -0.037 0.000 1.159 258 A CA 1.549 53.531 52.037 -0.091 0.000 0.662 258 A CB -0.892 18.061 19.000 -0.078 0.000 0.796 258 A HN 0.849 nan 8.150 nan 0.000 0.463 259 K N -0.236 120.154 120.400 -0.018 0.000 2.062 259 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 259 K C 1.784 178.393 176.600 0.016 0.000 1.051 259 K CA 1.391 57.679 56.287 0.002 0.000 0.941 259 K CB -0.025 32.478 32.500 0.005 0.000 0.719 259 K HN 0.703 nan 8.250 nan 0.000 0.440 260 E N -0.344 119.860 120.200 0.006 0.000 2.364 260 E HA -0.060 4.290 4.350 -0.000 0.000 0.196 260 E C 0.112 176.683 176.600 -0.048 0.000 0.990 260 E CA 0.357 56.765 56.400 0.014 0.000 0.886 260 E CB 0.276 29.997 29.700 0.034 0.000 0.866 260 E HN 0.116 nan 8.360 nan 0.000 0.493 261 F N 3.309 123.080 119.950 -0.298 0.000 2.646 261 F HA 0.374 4.901 4.527 -0.000 0.000 0.336 261 F C -2.264 173.418 175.800 -0.196 0.000 1.437 261 F CA -3.438 54.351 58.000 -0.352 0.000 1.142 261 F CB 1.317 39.986 39.000 -0.553 0.000 1.530 261 F HN -0.260 nan 8.300 nan 0.000 0.591 262 P HA -0.098 nan 4.420 nan 0.000 0.219 262 P C 1.706 178.876 177.300 -0.218 0.000 1.146 262 P CA 1.560 64.613 63.100 -0.079 0.000 0.808 262 P CB 0.115 31.814 31.700 -0.000 0.000 0.779 263 G N -0.136 108.463 108.800 -0.335 0.000 2.432 263 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.219 263 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.219 263 G C 1.230 175.613 174.900 -0.860 0.000 1.135 263 G CA 0.357 45.105 45.100 -0.587 0.000 0.767 263 G HN 0.365 nan 8.290 nan 0.000 0.550 264 S N 0.939 115.790 115.700 -1.415 0.000 3.811 264 S HA 0.220 4.690 4.470 -0.000 0.000 0.205 264 S C 1.396 175.380 174.600 -1.025 0.000 1.445 264 S CA -0.511 56.683 58.200 -1.676 0.000 1.097 264 S CB -0.947 61.372 63.200 -1.467 0.000 1.350 264 S HN 0.404 nan 8.310 nan 0.000 0.471 265 F N 1.497 120.992 119.950 -0.758 0.000 2.269 265 F HA 0.063 4.590 4.527 -0.000 0.000 0.301 265 F C 1.703 177.328 175.800 -0.290 0.000 1.082 265 F CA 0.984 58.754 58.000 -0.384 0.000 1.360 265 F CB -0.466 38.395 39.000 -0.232 0.000 1.041 265 F HN 0.382 nan 8.300 nan 0.000 0.512 266 N N -0.088 117.862 118.700 -1.249 0.000 2.415 266 N HA 0.210 4.950 4.740 -0.000 0.000 0.174 266 N C -0.187 175.039 175.510 -0.472 0.000 1.048 266 N CA 0.606 53.078 53.050 -0.963 0.000 0.895 266 N CB 0.214 38.037 38.487 -1.106 0.000 1.036 266 N HN 0.313 nan 8.380 nan 0.000 0.449 267 M N -1.069 118.250 119.600 -0.468 0.000 2.593 267 M HA 0.348 4.828 4.480 -0.000 0.000 0.290 267 M C -1.029 175.101 176.300 -0.283 0.000 1.244 267 M CA -0.576 54.528 55.300 -0.327 0.000 0.857 267 M CB 2.704 35.121 32.600 -0.305 0.000 1.738 267 M HN -0.309 nan 8.290 nan 0.000 0.461 268 T N 0.587 114.998 114.554 -0.239 0.000 2.876 268 T HA 0.767 5.117 4.350 -0.000 0.000 0.289 268 T C -0.534 174.043 174.700 -0.204 0.000 1.014 268 T CA -0.738 61.303 62.100 -0.098 0.000 0.986 268 T CB 1.966 70.857 68.868 0.039 0.000 1.021 268 T HN 0.831 nan 8.240 nan 0.000 0.458 269 G N 0.496 109.265 108.800 -0.052 0.000 2.519 269 G HA2 0.800 4.760 3.960 -0.000 0.000 0.307 269 G HA3 0.800 4.760 3.960 -0.000 0.000 0.307 269 G C -1.556 173.394 174.900 0.084 0.000 1.266 269 G CA -0.780 44.267 45.100 -0.089 0.000 0.970 269 G HN 0.969 nan 8.290 nan 0.000 0.481 270 A N 0.657 123.502 122.820 0.042 0.000 2.549 270 A HA 0.777 5.097 4.320 -0.000 0.000 0.297 270 A C -1.301 176.298 177.584 0.026 0.000 1.061 270 A CA -0.547 51.518 52.037 0.046 0.000 0.690 270 A CB 1.372 20.395 19.000 0.039 0.000 1.287 270 A HN 0.702 nan 8.150 nan 0.000 0.402 271 L N 1.924 123.170 121.223 0.039 0.000 2.322 271 L HA 0.601 4.941 4.340 -0.000 0.000 0.281 271 L C -0.989 175.939 176.870 0.097 0.000 1.014 271 L CA -0.428 54.433 54.840 0.035 0.000 0.815 271 L CB 1.577 43.659 42.059 0.038 0.000 1.247 271 L HN 0.613 nan 8.230 nan 0.000 0.421 272 I N 2.128 122.768 120.570 0.117 0.000 2.436 272 I HA 0.268 4.438 4.170 -0.000 0.000 0.289 272 I C -0.767 175.450 176.117 0.167 0.000 1.010 272 I CA -0.577 60.832 61.300 0.182 0.000 1.098 272 I CB 1.858 39.983 38.000 0.208 0.000 1.266 272 I HN 0.531 nan 8.210 nan 0.000 0.434 273 H N 6.565 125.670 119.070 0.057 0.000 2.511 273 H HA 0.634 5.190 4.556 -0.000 0.000 0.328 273 H C -1.698 173.588 175.328 -0.070 0.000 1.044 273 H CA -0.548 55.500 56.048 0.001 0.000 1.212 273 H CB 1.261 31.012 29.762 -0.018 0.000 1.428 273 H HN 0.380 nan 8.280 nan 0.000 0.483 274 L N 5.179 126.131 121.223 -0.453 0.000 2.343 274 L HA 0.305 4.645 4.340 -0.000 0.000 0.278 274 L C -0.584 176.091 176.870 -0.325 0.000 0.996 274 L CA -0.637 54.036 54.840 -0.278 0.000 0.831 274 L CB 1.354 43.362 42.059 -0.086 0.000 1.232 274 L HN 0.730 nan 8.230 nan 0.000 0.413 275 E N 4.702 124.776 120.200 -0.211 0.000 2.408 275 E HA 0.202 4.551 4.350 -0.000 0.000 0.259 275 E C -2.262 174.296 176.600 -0.070 0.000 1.110 275 E CA -1.907 54.424 56.400 -0.116 0.000 0.929 275 E CB 0.065 29.735 29.700 -0.050 0.000 0.971 275 E HN 0.312 nan 8.360 nan 0.000 0.438 276 P HA -0.086 nan 4.420 nan 0.000 0.259 276 P C 0.731 178.027 177.300 -0.006 0.000 1.163 276 P CA 1.547 64.635 63.100 -0.019 0.000 0.760 276 P CB 0.199 31.893 31.700 -0.010 0.000 0.762 277 G N 1.760 110.564 108.800 0.007 0.000 2.234 277 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.260 277 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.260 277 G C 0.462 175.381 174.900 0.031 0.000 0.987 277 G CA 0.145 45.257 45.100 0.020 0.000 0.625 277 G HN 0.866 nan 8.290 nan 0.000 0.532 278 A N 0.060 122.895 122.820 0.025 0.000 2.252 278 A HA 0.995 5.315 4.320 -0.000 0.000 0.305 278 A C 0.214 177.850 177.584 0.086 0.000 1.097 278 A CA 0.371 52.438 52.037 0.049 0.000 0.849 278 A CB 0.642 19.654 19.000 0.020 0.000 1.142 278 A HN 1.650 nan 8.150 nan 0.000 0.499 279 M N -0.434 119.252 119.600 0.144 0.000 2.520 279 M HA 0.558 5.038 4.480 -0.000 0.000 0.283 279 M C -0.668 175.778 176.300 0.244 0.000 1.237 279 M CA -0.733 54.664 55.300 0.162 0.000 0.885 279 M CB 1.708 34.369 32.600 0.102 0.000 1.727 279 M HN 0.477 nan 8.290 nan 0.000 0.468 280 R N 2.328 122.942 120.500 0.191 0.000 2.489 280 R HA 0.217 4.557 4.340 -0.000 0.000 0.287 280 R C -0.354 175.949 176.300 0.005 0.000 1.053 280 R CA 0.155 56.257 56.100 0.003 0.000 1.036 280 R CB 0.768 31.068 30.300 0.001 0.000 0.966 280 R HN 0.797 nan 8.270 nan 0.000 0.432 281 Q N 1.544 121.306 119.800 -0.064 0.000 2.524 281 Q HA 0.009 4.349 4.340 -0.000 0.000 0.246 281 Q C -0.040 176.002 176.000 0.071 0.000 1.063 281 Q CA -0.356 55.445 55.803 -0.003 0.000 0.945 281 Q CB 0.447 29.163 28.738 -0.037 0.000 1.292 281 Q HN 0.201 nan 8.270 nan 0.000 0.518 282 L N 3.461 124.718 121.223 0.058 0.000 2.578 282 L HA -0.038 4.302 4.340 -0.000 0.000 0.279 282 L C 0.305 177.231 176.870 0.094 0.000 1.227 282 L CA 1.218 56.090 54.840 0.053 0.000 0.900 282 L CB -0.956 41.146 42.059 0.072 0.000 1.144 282 L HN 0.690 nan 8.230 nan 0.000 0.496 283 H N 1.566 120.538 119.070 -0.163 0.000 2.932 283 H HA 0.450 5.005 4.556 -0.000 0.000 0.307 283 H C -1.409 173.847 175.328 -0.120 0.000 1.391 283 H CA -1.121 54.793 56.048 -0.223 0.000 1.130 283 H CB 0.803 30.306 29.762 -0.431 0.000 1.836 283 H HN 0.556 nan 8.280 nan 0.000 0.522 284 W N 0.298 121.417 121.300 -0.303 0.000 3.047 284 W HA 0.623 5.282 4.660 -0.000 0.000 0.341 284 W C -1.726 174.603 176.519 -0.316 0.000 1.225 284 W CA -1.022 56.164 57.345 -0.266 0.000 1.150 284 W CB 1.061 30.468 29.460 -0.089 0.000 1.470 284 W HN 0.507 nan 8.180 nan 0.000 0.578 285 H N 1.386 120.608 119.070 0.255 0.000 2.595 285 H HA 0.232 4.788 4.556 -0.000 0.000 0.313 285 H C -1.933 173.477 175.328 0.137 0.000 1.023 285 H CA -1.845 54.218 56.048 0.026 0.000 1.218 285 H CB 1.688 31.487 29.762 0.063 0.000 1.403 285 H HN 0.120 nan 8.280 nan 0.000 0.477 286 P HA -0.150 nan 4.420 nan 0.000 0.218 286 P C 1.020 178.379 177.300 0.098 0.000 1.148 286 P CA 1.279 64.486 63.100 0.179 0.000 0.822 286 P CB 0.440 32.170 31.700 0.050 0.000 0.784 287 N N -1.835 116.887 118.700 0.036 0.000 2.177 287 N HA 0.329 5.068 4.740 -0.000 0.000 0.218 287 N C -0.203 175.308 175.510 0.002 0.000 1.182 287 N CA -0.356 52.696 53.050 0.004 0.000 0.882 287 N CB 0.532 38.995 38.487 -0.040 0.000 1.052 287 N HN -0.053 nan 8.380 nan 0.000 0.519 288 A N -0.270 122.567 122.820 0.030 0.000 2.604 288 A HA 0.508 4.828 4.320 -0.000 0.000 0.295 288 A C -1.655 175.939 177.584 0.017 0.000 1.067 288 A CA -0.804 51.246 52.037 0.022 0.000 0.683 288 A CB 1.218 20.234 19.000 0.027 0.000 1.281 288 A HN 0.117 nan 8.150 nan 0.000 0.407 289 D N 0.807 121.171 120.400 -0.060 0.000 2.312 289 D HA 0.373 5.012 4.640 -0.000 0.000 0.248 289 D C -0.420 175.694 176.300 -0.310 0.000 1.086 289 D CA 0.162 54.012 54.000 -0.250 0.000 0.948 289 D CB 1.681 42.304 40.800 -0.294 0.000 1.162 289 D HN 0.615 nan 8.370 nan 0.000 0.446 290 E N 0.649 120.528 120.200 -0.535 0.000 2.176 290 E HA 0.305 4.655 4.350 -0.000 0.000 0.267 290 E C -1.642 174.655 176.600 -0.505 0.000 0.893 290 E CA -0.856 55.201 56.400 -0.571 0.000 0.761 290 E CB 1.386 30.840 29.700 -0.411 0.000 1.133 290 E HN 0.425 nan 8.360 nan 0.000 0.409 291 W N 4.303 125.282 121.300 -0.536 0.000 2.573 291 W HA 0.342 5.002 4.660 -0.000 0.000 0.326 291 W C -1.092 175.304 176.519 -0.205 0.000 1.049 291 W CA -0.292 56.906 57.345 -0.246 0.000 1.220 291 W CB 1.361 30.747 29.460 -0.123 0.000 1.373 291 W HN 0.472 nan 8.180 nan 0.000 0.507 292 Q N 5.112 124.545 119.800 -0.611 0.000 2.372 292 Q HA 0.368 4.708 4.340 -0.000 0.000 0.273 292 Q C -1.907 173.698 176.000 -0.658 0.000 1.078 292 Q CA -1.110 54.430 55.803 -0.438 0.000 0.806 292 Q CB 3.349 31.930 28.738 -0.263 0.000 1.332 292 Q HN 0.597 nan 8.270 nan 0.000 0.435 293 Y N 0.571 120.646 120.300 -0.376 0.000 2.442 293 Y HA 0.461 5.011 4.550 -0.000 0.000 0.344 293 Y C -1.165 174.711 175.900 -0.040 0.000 0.976 293 Y CA -1.050 56.933 58.100 -0.195 0.000 1.040 293 Y CB 1.512 40.024 38.460 0.085 0.000 1.228 293 Y HN 0.434 nan 8.280 nan 0.000 0.451 294 V N 8.369 128.150 119.914 -0.221 0.000 2.339 294 V HA 0.051 4.171 4.120 -0.000 0.000 0.261 294 V C 0.994 177.143 176.094 0.091 0.000 1.058 294 V CA 0.126 62.387 62.300 -0.065 0.000 0.897 294 V CB 0.283 32.025 31.823 -0.136 0.000 1.052 294 V HN 0.945 nan 8.190 nan 0.000 0.480 295 L N 3.294 124.677 121.223 0.268 0.000 2.042 295 L HA -0.049 4.291 4.340 -0.000 0.000 0.210 295 L C 0.678 177.663 176.870 0.192 0.000 1.076 295 L CA 1.614 56.640 54.840 0.311 0.000 0.749 295 L CB -0.203 42.011 42.059 0.258 0.000 0.893 295 L HN 0.931 nan 8.230 nan 0.000 0.432 296 D N -3.734 116.737 120.400 0.117 0.000 2.648 296 D HA 0.528 5.168 4.640 -0.000 0.000 0.244 296 D C -0.189 176.135 176.300 0.039 0.000 1.244 296 D CA -0.034 54.012 54.000 0.077 0.000 0.772 296 D CB 1.210 42.066 40.800 0.093 0.000 1.379 296 D HN 0.163 nan 8.370 nan 0.000 0.428 297 G N -0.082 108.731 108.800 0.022 0.000 2.615 297 G HA2 0.037 3.997 3.960 -0.000 0.000 0.218 297 G HA3 0.037 3.997 3.960 -0.000 0.000 0.218 297 G C -1.137 173.759 174.900 -0.006 0.000 1.339 297 G CA -0.433 44.669 45.100 0.004 0.000 0.884 297 G HN 0.768 nan 8.290 nan 0.000 0.559 298 E N -0.354 119.842 120.200 -0.008 0.000 2.234 298 E HA 0.547 4.897 4.350 -0.000 0.000 0.266 298 E C -0.391 176.210 176.600 0.002 0.000 0.877 298 E CA -0.646 55.752 56.400 -0.004 0.000 0.758 298 E CB 1.862 31.566 29.700 0.006 0.000 1.170 298 E HN 0.563 nan 8.360 nan 0.000 0.415 299 M N 2.897 122.496 119.600 -0.002 0.000 2.311 299 M HA 0.303 4.783 4.480 -0.000 0.000 0.325 299 M C -1.563 174.744 176.300 0.012 0.000 1.061 299 M CA -0.658 54.644 55.300 0.003 0.000 0.957 299 M CB 1.343 33.935 32.600 -0.013 0.000 1.646 299 M HN 0.301 nan 8.290 nan 0.000 0.434 300 D N 4.682 125.096 120.400 0.025 0.000 2.198 300 D HA 0.476 5.115 4.640 -0.000 0.000 0.245 300 D C -1.210 175.044 176.300 -0.077 0.000 1.079 300 D CA -0.125 53.869 54.000 -0.009 0.000 0.854 300 D CB 1.941 42.787 40.800 0.077 0.000 1.148 300 D HN 0.458 nan 8.370 nan 0.000 0.456 301 L N 1.703 122.835 121.223 -0.151 0.000 2.385 301 L HA 0.551 4.891 4.340 -0.000 0.000 0.273 301 L C -0.708 176.024 176.870 -0.230 0.000 0.990 301 L CA -0.179 54.584 54.840 -0.129 0.000 0.821 301 L CB 2.325 44.345 42.059 -0.067 0.000 1.279 301 L HN 0.231 nan 8.230 nan 0.000 0.412 302 T N 4.149 118.595 114.554 -0.180 0.000 2.841 302 T HA 0.802 5.152 4.350 -0.000 0.000 0.283 302 T C -1.531 173.119 174.700 -0.084 0.000 1.000 302 T CA -0.367 61.607 62.100 -0.210 0.000 0.977 302 T CB 1.065 69.778 68.868 -0.258 0.000 0.979 302 T HN 0.444 nan 8.240 nan 0.000 0.446 303 V N 5.815 125.675 119.914 -0.090 0.000 2.686 303 V HA 0.642 4.762 4.120 -0.000 0.000 0.306 303 V C -1.000 175.089 176.094 -0.009 0.000 1.065 303 V CA -1.011 61.195 62.300 -0.156 0.000 0.894 303 V CB 1.577 32.998 31.823 -0.671 0.000 1.004 303 V HN 0.877 nan 8.190 nan 0.000 0.424 304 F N 4.140 124.024 119.950 -0.109 0.000 2.493 304 F HA 0.812 5.339 4.527 -0.000 0.000 0.329 304 F C 0.340 175.968 175.800 -0.286 0.000 1.126 304 F CA -0.243 57.697 58.000 -0.100 0.000 0.937 304 F CB 2.096 41.080 39.000 -0.027 0.000 1.146 304 F HN 0.511 nan 8.300 nan 0.000 0.442 305 A N 4.014 126.168 122.820 -1.110 0.000 2.419 305 A HA 0.583 4.903 4.320 -0.000 0.000 0.233 305 A C 0.546 177.462 177.584 -1.113 0.000 1.217 305 A CA 0.560 51.858 52.037 -1.233 0.000 0.944 305 A CB -0.719 17.891 19.000 -0.650 0.000 1.025 305 A HN 1.993 nan 8.150 nan 0.000 0.524 306 S N -0.439 114.509 115.700 -1.253 0.000 3.921 306 S HA -0.086 4.384 4.470 -0.000 0.000 0.689 306 S C -0.197 174.258 174.600 -0.242 0.000 0.953 306 S CA 0.727 58.532 58.200 -0.659 0.000 1.103 306 S CB -1.718 61.169 63.200 -0.522 0.000 0.507 306 S HN 1.416 nan 8.310 nan 0.000 0.639 307 E N 0.112 120.258 120.200 -0.091 0.000 2.328 307 E HA -0.132 4.218 4.350 -0.000 0.000 0.233 307 E C 0.994 177.593 176.600 -0.000 0.000 1.219 307 E CA 1.443 57.820 56.400 -0.038 0.000 0.717 307 E CB -2.259 27.404 29.700 -0.061 0.000 1.210 307 E HN 2.387 nan 8.360 nan 0.000 0.381 308 G N 0.362 109.206 108.800 0.073 0.000 2.258 308 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.274 308 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.274 308 G C -0.015 174.922 174.900 0.061 0.000 1.021 308 G CA 1.128 46.276 45.100 0.080 0.000 0.798 308 G HN 0.332 nan 8.290 nan 0.000 0.507 309 K N -0.315 120.118 120.400 0.056 0.000 2.270 309 K HA 0.834 5.154 4.320 -0.000 0.000 0.255 309 K C -0.038 176.638 176.600 0.127 0.000 0.936 309 K CA -0.080 56.237 56.287 0.050 0.000 0.809 309 K CB 2.385 34.887 32.500 0.003 0.000 1.131 309 K HN 0.804 nan 8.250 nan 0.000 0.427 310 A N 1.271 124.216 122.820 0.209 0.000 2.612 310 A HA 0.698 5.018 4.320 -0.000 0.000 0.293 310 A C -1.293 176.605 177.584 0.524 0.000 1.075 310 A CA -0.696 51.558 52.037 0.361 0.000 0.680 310 A CB 1.917 21.204 19.000 0.477 0.000 1.279 310 A HN 0.493 nan 8.150 nan 0.000 0.411 311 S N -0.994 114.981 115.700 0.459 0.000 2.595 311 S HA 0.822 5.292 4.470 -0.000 0.000 0.281 311 S C -1.442 173.090 174.600 -0.114 0.000 1.117 311 S CA -0.498 57.910 58.200 0.346 0.000 0.873 311 S CB 1.880 65.325 63.200 0.409 0.000 1.108 311 S HN 1.807 nan 8.310 nan 0.000 0.477 312 V N 2.435 122.078 119.914 -0.450 0.000 2.851 312 V HA 0.896 5.016 4.120 -0.000 0.000 0.307 312 V C -1.400 174.233 176.094 -0.767 0.000 1.129 312 V CA -0.067 61.671 62.300 -0.937 0.000 0.932 312 V CB 1.734 32.406 31.823 -1.919 0.000 1.024 312 V HN 1.167 nan 8.190 nan 0.000 0.426 313 S N 5.992 121.326 115.700 -0.609 0.000 2.615 313 S HA 0.679 5.149 4.470 -0.000 0.000 0.268 313 S C -1.228 173.291 174.600 -0.135 0.000 1.146 313 S CA -1.183 56.844 58.200 -0.289 0.000 0.818 313 S CB 1.815 64.960 63.200 -0.092 0.000 1.111 313 S HN 0.835 nan 8.310 nan 0.000 0.465 314 R N -0.216 120.302 120.500 0.029 0.000 2.486 314 R HA 0.702 5.042 4.340 -0.000 0.000 0.286 314 R C -1.405 174.894 176.300 -0.002 0.000 0.999 314 R CA -0.774 55.359 56.100 0.055 0.000 0.993 314 R CB 0.876 31.249 30.300 0.121 0.000 1.084 314 R HN 0.527 nan 8.270 nan 0.000 0.487 315 L N 2.747 123.958 121.223 -0.018 0.000 2.349 315 L HA 0.260 4.600 4.340 -0.000 0.000 0.278 315 L C -0.127 176.710 176.870 -0.055 0.000 0.996 315 L CA -0.695 54.112 54.840 -0.055 0.000 0.825 315 L CB 1.686 43.697 42.059 -0.080 0.000 1.243 315 L HN 0.340 nan 8.230 nan 0.000 0.412 316 Q N 1.493 121.252 119.800 -0.068 0.000 2.407 316 Q HA 0.179 4.518 4.340 -0.000 0.000 0.214 316 Q C -0.133 175.810 176.000 -0.095 0.000 1.043 316 Q CA -0.471 55.293 55.803 -0.065 0.000 0.983 316 Q CB 0.517 29.218 28.738 -0.062 0.000 1.211 316 Q HN 0.600 nan 8.270 nan 0.000 0.564 317 Q N -0.382 119.373 119.800 -0.074 0.000 2.315 317 Q HA 0.212 4.552 4.340 -0.000 0.000 0.289 317 Q C 0.332 176.239 176.000 -0.156 0.000 1.044 317 Q CA 1.015 56.768 55.803 -0.084 0.000 0.920 317 Q CB -0.074 28.650 28.738 -0.022 0.000 1.214 317 Q HN 0.828 nan 8.270 nan 0.000 0.392 318 G N 3.225 111.835 108.800 -0.315 0.000 2.159 318 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.256 318 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.256 318 G C -0.443 174.184 174.900 -0.456 0.000 0.977 318 G CA 0.161 44.965 45.100 -0.493 0.000 0.652 318 G HN 0.715 nan 8.290 nan 0.000 0.531 319 D N -0.686 119.492 120.400 -0.370 0.000 2.340 319 D HA 0.680 5.320 4.640 -0.000 0.000 0.251 319 D C 0.184 176.301 176.300 -0.306 0.000 1.080 319 D CA -0.247 53.627 54.000 -0.210 0.000 0.971 319 D CB 1.992 42.698 40.800 -0.157 0.000 1.137 319 D HN 0.121 nan 8.370 nan 0.000 0.475 320 V N -0.023 119.749 119.914 -0.237 0.000 2.656 320 V HA 0.728 4.848 4.120 -0.000 0.000 0.307 320 V C 0.420 176.331 176.094 -0.304 0.000 1.051 320 V CA -0.641 61.428 62.300 -0.385 0.000 0.893 320 V CB 2.040 33.605 31.823 -0.430 0.000 0.999 320 V HN 0.614 nan 8.190 nan 0.000 0.426 321 G N 2.172 110.787 108.800 -0.309 0.000 2.498 321 G HA2 0.664 4.623 3.960 -0.000 0.000 0.312 321 G HA3 0.664 4.623 3.960 -0.000 0.000 0.312 321 G C -2.119 172.786 174.900 0.007 0.000 1.230 321 G CA -0.569 44.499 45.100 -0.053 0.000 0.968 321 G HN 0.633 nan 8.290 nan 0.000 0.481 322 Y N 0.919 121.273 120.300 0.090 0.000 2.396 322 Y HA 0.521 5.071 4.550 -0.000 0.000 0.332 322 Y C -1.165 174.719 175.900 -0.027 0.000 1.034 322 Y CA -0.839 57.261 58.100 -0.000 0.000 1.057 322 Y CB 2.219 40.656 38.460 -0.039 0.000 1.220 322 Y HN 0.411 nan 8.280 nan 0.000 0.440 323 V N 8.548 128.156 119.914 -0.509 0.000 2.304 323 V HA 0.357 4.477 4.120 -0.000 0.000 0.278 323 V C -2.292 173.430 176.094 -0.620 0.000 1.018 323 V CA -2.167 59.831 62.300 -0.503 0.000 0.814 323 V CB 1.024 32.450 31.823 -0.663 0.000 1.021 323 V HN 0.693 nan 8.190 nan 0.000 0.440 324 P HA -0.073 nan 4.420 nan 0.000 0.264 324 P C 0.120 177.158 177.300 -0.437 0.000 1.173 324 P CA 0.173 62.956 63.100 -0.530 0.000 0.761 324 P CB 0.445 31.510 31.700 -1.059 0.000 0.794 325 K N 2.698 122.965 120.400 -0.221 0.000 2.543 325 K HA -0.042 4.278 4.320 -0.000 0.000 0.279 325 K C 1.351 177.974 176.600 0.038 0.000 1.001 325 K CA 1.422 57.682 56.287 -0.044 0.000 1.088 325 K CB -0.738 31.757 32.500 -0.007 0.000 0.863 325 K HN 0.807 nan 8.250 nan 0.000 0.488 326 G N 3.364 112.271 108.800 0.178 0.000 2.267 326 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.257 326 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.257 326 G C 0.051 175.069 174.900 0.198 0.000 0.998 326 G CA 0.302 45.524 45.100 0.203 0.000 0.620 326 G HN 0.715 nan 8.290 nan 0.000 0.529 327 Y N 1.517 121.797 120.300 -0.033 0.000 2.511 327 Y HA 0.366 4.916 4.550 -0.000 0.000 0.332 327 Y C 1.610 177.555 175.900 0.075 0.000 1.177 327 Y CA -0.412 57.633 58.100 -0.091 0.000 1.422 327 Y CB 0.817 39.167 38.460 -0.184 0.000 1.271 327 Y HN 0.268 nan 8.280 nan 0.000 0.550 328 G N 3.520 112.453 108.800 0.222 0.000 2.406 328 G HA2 0.342 4.302 3.960 -0.000 0.000 0.251 328 G HA3 0.342 4.302 3.960 -0.000 0.000 0.251 328 G C -0.794 174.263 174.900 0.261 0.000 1.271 328 G CA -0.230 45.051 45.100 0.302 0.000 0.859 328 G HN 0.813 nan 8.290 nan 0.000 0.540 329 H N -0.743 118.270 119.070 -0.095 0.000 2.990 329 H HA 0.808 5.364 4.556 -0.000 0.000 0.336 329 H C -0.871 174.369 175.328 -0.148 0.000 1.306 329 H CA -0.775 55.190 56.048 -0.139 0.000 1.118 329 H CB 1.436 31.097 29.762 -0.169 0.000 1.856 329 H HN 1.090 nan 8.280 nan 0.000 0.538 330 A N 1.189 123.985 122.820 -0.040 0.000 2.605 330 A HA 0.542 4.862 4.320 -0.000 0.000 0.294 330 A C -1.145 176.463 177.584 0.040 0.000 1.062 330 A CA -0.482 51.548 52.037 -0.012 0.000 0.682 330 A CB 1.612 20.613 19.000 0.001 0.000 1.278 330 A HN 0.932 nan 8.150 nan 0.000 0.410 331 I N -0.814 119.802 120.570 0.077 0.000 2.740 331 I HA 0.936 5.106 4.170 -0.000 0.000 0.303 331 I C -0.662 175.495 176.117 0.067 0.000 1.044 331 I CA -0.862 60.475 61.300 0.062 0.000 1.064 331 I CB 2.142 40.195 38.000 0.088 0.000 1.249 331 I HN 0.885 nan 8.210 nan 0.000 0.433 332 R N 3.447 123.976 120.500 0.049 0.000 2.604 332 R HA 0.324 4.664 4.340 -0.000 0.000 0.281 332 R C -1.486 174.847 176.300 0.055 0.000 1.020 332 R CA -0.652 55.485 56.100 0.063 0.000 0.899 332 R CB 1.616 31.955 30.300 0.065 0.000 1.205 332 R HN 0.808 nan 8.270 nan 0.000 0.450 333 N N 1.741 120.468 118.700 0.045 0.000 2.521 333 N HA 0.118 4.858 4.740 -0.000 0.000 0.236 333 N C -1.407 174.124 175.510 0.036 0.000 1.067 333 N CA 0.018 53.083 53.050 0.024 0.000 0.939 333 N CB 1.063 39.542 38.487 -0.014 0.000 1.201 333 N HN 0.471 nan 8.380 nan 0.000 0.511 334 S N 1.585 117.318 115.700 0.054 0.000 2.891 334 S HA 0.346 4.815 4.470 -0.000 0.000 0.186 334 S C -0.322 174.294 174.600 0.027 0.000 1.401 334 S CA -0.681 57.551 58.200 0.053 0.000 1.035 334 S CB -0.350 62.908 63.200 0.097 0.000 1.293 334 S HN 0.700 nan 8.310 nan 0.000 0.493 335 S N 1.000 116.707 115.700 0.012 0.000 2.636 335 S HA 0.385 4.855 4.470 -0.000 0.000 0.268 335 S C -0.272 174.327 174.600 -0.003 0.000 1.159 335 S CA -0.680 57.521 58.200 0.002 0.000 0.815 335 S CB 0.894 64.095 63.200 0.003 0.000 1.130 335 S HN 0.053 nan 8.310 nan 0.000 0.471 336 Q N 0.507 120.305 119.800 -0.004 0.000 2.398 336 Q HA 0.362 4.702 4.340 -0.000 0.000 0.204 336 Q C -0.105 175.894 176.000 -0.001 0.000 0.932 336 Q CA 1.009 56.810 55.803 -0.003 0.000 0.916 336 Q CB -0.271 28.465 28.738 -0.003 0.000 1.024 336 Q HN 0.603 nan 8.270 nan 0.000 0.504 337 K N 0.354 120.752 120.400 -0.003 0.000 2.168 337 K HA 0.428 4.747 4.320 -0.000 0.000 0.239 337 K C -2.464 174.126 176.600 -0.016 0.000 0.999 337 K CA -2.045 54.242 56.287 -0.000 0.000 0.900 337 K CB 0.576 33.080 32.500 0.006 0.000 1.111 337 K HN -0.182 nan 8.250 nan 0.000 0.452 338 P HA 0.088 nan 4.420 nan 0.000 0.273 338 P C -1.361 175.882 177.300 -0.096 0.000 1.250 338 P CA -0.462 62.592 63.100 -0.078 0.000 0.793 338 P CB 0.456 32.162 31.700 0.010 0.000 1.011 339 L N 1.402 122.500 121.223 -0.208 0.000 2.408 339 L HA 0.562 4.902 4.340 -0.000 0.000 0.268 339 L C -1.459 175.331 176.870 -0.134 0.000 0.986 339 L CA -0.016 54.750 54.840 -0.124 0.000 0.820 339 L CB 1.725 43.728 42.059 -0.093 0.000 1.303 339 L HN 0.210 nan 8.230 nan 0.000 0.411 340 D N 6.434 126.834 120.400 0.000 0.000 2.788 340 D HA 0.519 5.158 4.640 -0.000 0.000 0.247 340 D C -1.033 175.319 176.300 0.086 0.000 1.236 340 D CA 0.000 54.046 54.000 0.077 0.000 0.898 340 D CB 2.447 43.340 40.800 0.155 0.000 1.401 340 D HN 0.654 nan 8.370 nan 0.000 0.549 341 I N -0.878 119.740 120.570 0.080 0.000 2.865 341 I HA 0.631 4.801 4.170 -0.000 0.000 0.302 341 I C -1.396 174.750 176.117 0.049 0.000 1.140 341 I CA -0.942 60.407 61.300 0.081 0.000 1.021 341 I CB 2.401 40.433 38.000 0.053 0.000 1.233 341 I HN 0.096 nan 8.210 nan 0.000 0.427 342 V N 6.164 126.107 119.914 0.049 0.000 2.483 342 V HA 0.740 4.860 4.120 -0.000 0.000 0.295 342 V C -0.477 175.630 176.094 0.022 0.000 1.035 342 V CA -0.216 62.070 62.300 -0.023 0.000 0.896 342 V CB 1.673 33.408 31.823 -0.145 0.000 0.986 342 V HN 0.726 nan 8.190 nan 0.000 0.447 343 V N 4.924 124.805 119.914 -0.054 0.000 2.769 343 V HA 0.906 5.025 4.120 -0.000 0.000 0.312 343 V C -0.839 175.018 176.094 -0.396 0.000 1.061 343 V CA -0.559 61.634 62.300 -0.179 0.000 0.931 343 V CB 1.762 33.459 31.823 -0.210 0.000 1.010 343 V HN 0.720 nan 8.190 nan 0.000 0.433 344 V N 3.635 123.215 119.914 -0.556 0.000 2.709 344 V HA 0.642 4.762 4.120 -0.000 0.000 0.308 344 V C -0.918 174.656 176.094 -0.867 0.000 1.062 344 V CA -0.301 61.559 62.300 -0.732 0.000 0.901 344 V CB 1.707 33.112 31.823 -0.696 0.000 1.003 344 V HN 0.832 nan 8.190 nan 0.000 0.425 345 F N 2.353 122.092 119.950 -0.352 0.000 2.508 345 F HA 0.450 4.977 4.527 -0.000 0.000 0.325 345 F C 0.845 176.478 175.800 -0.278 0.000 1.090 345 F CA -0.965 56.869 58.000 -0.277 0.000 0.945 345 F CB 1.566 40.425 39.000 -0.235 0.000 1.156 345 F HN 0.614 nan 8.300 nan 0.000 0.463 346 N N 0.751 119.420 118.700 -0.051 0.000 2.623 346 N HA 0.057 4.797 4.740 -0.000 0.000 0.263 346 N C -1.116 174.352 175.510 -0.069 0.000 1.218 346 N CA 0.058 53.056 53.050 -0.086 0.000 0.949 346 N CB -0.137 38.312 38.487 -0.063 0.000 1.270 346 N HN 0.576 nan 8.380 nan 0.000 0.507 347 D N -1.566 118.795 120.400 -0.065 0.000 2.736 347 D HA 0.318 4.958 4.640 -0.000 0.000 0.223 347 D C 0.248 176.482 176.300 -0.111 0.000 1.231 347 D CA -0.646 53.302 54.000 -0.086 0.000 0.818 347 D CB 1.787 42.549 40.800 -0.063 0.000 1.587 347 D HN 0.122 nan 8.370 nan 0.000 0.463 348 G N 1.198 109.919 108.800 -0.132 0.000 2.920 348 G HA2 0.000 3.960 3.960 -0.000 0.000 0.208 348 G HA3 0.000 3.960 3.960 -0.000 0.000 0.208 348 G C 0.327 175.180 174.900 -0.078 0.000 1.159 348 G CA 0.081 45.099 45.100 -0.137 0.000 0.784 348 G HN 0.346 nan 8.290 nan 0.000 0.535 349 D N -0.279 120.080 120.400 -0.068 0.000 2.464 349 D HA 0.181 4.821 4.640 -0.000 0.000 0.243 349 D C -0.866 175.383 176.300 -0.085 0.000 1.104 349 D CA -1.136 52.830 54.000 -0.056 0.000 0.883 349 D CB 0.120 40.887 40.800 -0.055 0.000 1.050 349 D HN 0.085 nan 8.370 nan 0.000 0.524 350 Y N 2.894 123.067 120.300 -0.212 0.000 2.650 350 Y HA 0.166 4.716 4.550 -0.000 0.000 0.331 350 Y C -0.364 175.387 175.900 -0.249 0.000 1.165 350 Y CA 0.642 58.548 58.100 -0.323 0.000 1.473 350 Y CB 0.302 38.574 38.460 -0.313 0.000 1.224 350 Y HN 0.325 nan 8.280 nan 0.000 0.533 351 Q N 4.541 123.856 119.800 -0.808 0.000 2.292 351 Q HA 0.444 4.784 4.340 -0.000 0.000 0.270 351 Q C -1.338 174.255 176.000 -0.678 0.000 1.024 351 Q CA -0.796 54.639 55.803 -0.615 0.000 0.768 351 Q CB 2.022 30.563 28.738 -0.329 0.000 1.250 351 Q HN 0.666 nan 8.270 nan 0.000 0.447 352 S N 3.644 118.938 115.700 -0.677 0.000 2.547 352 S HA 0.657 5.127 4.470 -0.000 0.000 0.281 352 S C -1.171 173.059 174.600 -0.617 0.000 1.118 352 S CA -0.540 57.285 58.200 -0.625 0.000 0.947 352 S CB 0.783 63.619 63.200 -0.605 0.000 1.053 352 S HN 0.568 nan 8.310 nan 0.000 0.482 353 I N 3.838 123.889 120.570 -0.864 0.000 2.382 353 I HA 0.354 4.524 4.170 -0.000 0.000 0.285 353 I C -0.796 174.906 176.117 -0.692 0.000 1.007 353 I CA -0.783 59.959 61.300 -0.931 0.000 1.142 353 I CB 1.578 38.639 38.000 -1.565 0.000 1.289 353 I HN 0.512 nan 8.210 nan 0.000 0.453 354 D N 5.004 125.197 120.400 -0.345 0.000 2.304 354 D HA 0.105 4.745 4.640 -0.000 0.000 0.250 354 D C 0.960 177.279 176.300 0.032 0.000 1.107 354 D CA -0.351 53.570 54.000 -0.131 0.000 0.885 354 D CB 2.195 42.921 40.800 -0.123 0.000 1.192 354 D HN 0.409 nan 8.370 nan 0.000 0.436 355 L N 3.369 124.683 121.223 0.153 0.000 2.051 355 L HA -0.299 4.041 4.340 -0.000 0.000 0.214 355 L C 2.083 179.086 176.870 0.223 0.000 1.076 355 L CA 2.325 57.348 54.840 0.306 0.000 0.758 355 L CB -0.666 41.539 42.059 0.243 0.000 0.890 355 L HN 0.496 nan 8.230 nan 0.000 0.433 356 S N -1.963 113.801 115.700 0.107 0.000 2.351 356 S HA -0.246 4.223 4.470 -0.000 0.000 0.220 356 S C 1.908 176.557 174.600 0.081 0.000 1.035 356 S CA 1.750 59.990 58.200 0.067 0.000 1.031 356 S CB -1.581 61.632 63.200 0.023 0.000 0.928 356 S HN 0.574 nan 8.310 nan 0.000 0.433 357 T N 0.678 115.269 114.554 0.061 0.000 2.685 357 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 357 T C 1.208 176.006 174.700 0.163 0.000 1.034 357 T CA 1.676 63.813 62.100 0.061 0.000 1.149 357 T CB -0.593 68.270 68.868 -0.007 0.000 0.860 357 T HN 0.637 nan 8.240 nan 0.000 0.449 358 W N 1.812 123.105 121.300 -0.011 0.000 2.378 358 W HA 0.087 4.746 4.660 -0.000 0.000 0.313 358 W C 1.856 178.416 176.519 0.069 0.000 1.197 358 W CA 0.410 57.779 57.345 0.039 0.000 1.304 358 W CB -0.950 28.573 29.460 0.105 0.000 1.148 358 W HN 0.202 nan 8.180 nan 0.000 0.494 359 L N 0.679 121.960 121.223 0.098 0.000 2.083 359 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 359 L C 2.597 179.468 176.870 0.002 0.000 1.083 359 L CA 1.418 56.231 54.840 -0.045 0.000 0.752 359 L CB -1.546 40.504 42.059 -0.015 0.000 0.899 359 L HN 0.006 nan 8.230 nan 0.000 0.433 360 A N 0.342 123.187 122.820 0.041 0.000 2.019 360 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 360 A C 2.463 180.072 177.584 0.040 0.000 1.164 360 A CA 1.814 53.870 52.037 0.031 0.000 0.644 360 A CB -0.549 18.471 19.000 0.033 0.000 0.805 360 A HN 0.532 nan 8.150 nan 0.000 0.449 361 S N -0.551 115.194 115.700 0.074 0.000 2.561 361 S HA 0.053 4.523 4.470 -0.000 0.000 0.225 361 S C 0.547 175.184 174.600 0.062 0.000 0.977 361 S CA -0.197 58.054 58.200 0.085 0.000 0.926 361 S CB -0.286 63.005 63.200 0.153 0.000 0.769 361 S HN 0.506 nan 8.310 nan 0.000 0.533 362 N N 2.758 121.475 118.700 0.027 0.000 2.417 362 N HA 0.456 5.196 4.740 -0.000 0.000 0.300 362 N C -2.976 172.534 175.510 0.000 0.000 1.102 362 N CA -1.436 51.616 53.050 0.003 0.000 0.886 362 N CB 1.646 40.101 38.487 -0.054 0.000 1.203 362 N HN 0.208 nan 8.380 nan 0.000 0.496 363 P HA 0.156 nan 4.420 nan 0.000 0.274 363 P C 0.450 177.749 177.300 -0.001 0.000 1.231 363 P CA -0.151 62.950 63.100 0.002 0.000 0.790 363 P CB 0.865 32.567 31.700 0.003 0.000 0.951 364 S N 1.456 117.156 115.700 0.001 0.000 2.368 364 S HA -0.222 4.248 4.470 -0.000 0.000 0.226 364 S C 2.057 176.659 174.600 0.004 0.000 1.044 364 S CA 2.369 60.571 58.200 0.002 0.000 1.062 364 S CB -1.148 62.053 63.200 0.001 0.000 0.931 364 S HN 0.803 nan 8.310 nan 0.000 0.440 365 S N 1.695 117.395 115.700 -0.000 0.000 2.359 365 S HA -0.142 4.328 4.470 -0.000 0.000 0.223 365 S C 1.918 176.512 174.600 -0.010 0.000 1.039 365 S CA 1.623 59.821 58.200 -0.003 0.000 1.042 365 S CB -1.076 62.121 63.200 -0.005 0.000 0.915 365 S HN 0.278 nan 8.310 nan 0.000 0.439 366 V N 2.434 122.338 119.914 -0.017 0.000 2.282 366 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 366 V C 2.666 178.730 176.094 -0.050 0.000 1.057 366 V CA 2.187 64.463 62.300 -0.038 0.000 1.032 366 V CB -0.987 30.811 31.823 -0.041 0.000 0.645 366 V HN 0.457 nan 8.190 nan 0.000 0.447 367 L N 0.208 121.424 121.223 -0.012 0.000 1.976 367 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 367 L C 2.728 179.677 176.870 0.132 0.000 1.071 367 L CA 2.016 56.899 54.840 0.071 0.000 0.746 367 L CB -1.328 40.790 42.059 0.098 0.000 0.890 367 L HN 0.439 nan 8.230 nan 0.000 0.432 368 G N -0.305 108.541 108.800 0.076 0.000 2.476 368 G HA2 -0.366 3.593 3.960 -0.000 0.000 0.218 368 G HA3 -0.366 3.593 3.960 -0.000 0.000 0.218 368 G C 1.452 176.376 174.900 0.040 0.000 1.164 368 G CA 1.174 46.314 45.100 0.066 0.000 0.768 368 G HN 0.333 nan 8.290 nan 0.000 0.560 369 N N 0.150 118.849 118.700 -0.001 0.000 2.166 369 N HA -0.072 4.668 4.740 -0.000 0.000 0.186 369 N C 2.262 177.729 175.510 -0.072 0.000 1.019 369 N CA 1.717 54.749 53.050 -0.030 0.000 0.856 369 N CB -0.475 37.989 38.487 -0.037 0.000 0.993 369 N HN 0.244 nan 8.380 nan 0.000 0.426 370 T N -0.633 113.840 114.554 -0.134 0.000 2.770 370 T HA 0.002 4.352 4.350 -0.000 0.000 0.263 370 T C 1.245 175.733 174.700 -0.353 0.000 1.039 370 T CA 0.975 62.891 62.100 -0.308 0.000 1.142 370 T CB -0.275 68.275 68.868 -0.530 0.000 0.868 370 T HN 0.179 nan 8.240 nan 0.000 0.435 371 F N 1.325 121.230 119.950 -0.076 0.000 2.743 371 F HA 0.209 4.736 4.527 -0.000 0.000 0.297 371 F C 1.205 176.975 175.800 -0.050 0.000 1.131 371 F CA -0.018 57.941 58.000 -0.067 0.000 1.426 371 F CB -0.484 38.472 39.000 -0.073 0.000 1.116 371 F HN 0.129 nan 8.300 nan 0.000 0.583 372 Q N 0.740 120.594 119.800 0.089 0.000 2.487 372 Q HA -0.215 4.124 4.340 -0.000 0.000 0.279 372 Q C -0.086 175.946 176.000 0.054 0.000 1.228 372 Q CA 0.696 56.526 55.803 0.045 0.000 0.873 372 Q CB -2.635 26.115 28.738 0.019 0.000 1.260 372 Q HN 0.644 nan 8.270 nan 0.000 0.471 373 I N -3.282 117.331 120.570 0.072 0.000 3.205 373 I HA 0.659 4.829 4.170 -0.000 0.000 0.310 373 I C 0.867 176.997 176.117 0.021 0.000 1.089 373 I CA -0.832 60.491 61.300 0.038 0.000 1.023 373 I CB 1.396 39.412 38.000 0.026 0.000 1.269 373 I HN 0.085 nan 8.210 nan 0.000 0.512 374 S N 0.835 116.539 115.700 0.006 0.000 2.593 374 S HA 0.324 4.794 4.470 -0.000 0.000 0.269 374 S C -1.818 172.782 174.600 -0.000 0.000 1.334 374 S CA -0.811 57.390 58.200 0.002 0.000 1.015 374 S CB 0.776 63.974 63.200 -0.003 0.000 0.912 374 S HN 0.574 nan 8.310 nan 0.000 0.541 375 P HA -0.130 nan 4.420 nan 0.000 0.217 375 P C 0.965 178.260 177.300 -0.008 0.000 1.151 375 P CA 1.446 64.545 63.100 -0.002 0.000 0.849 375 P CB 0.001 31.700 31.700 -0.002 0.000 0.787 376 E N -1.190 119.005 120.200 -0.009 0.000 2.072 376 E HA -0.103 4.246 4.350 -0.000 0.000 0.190 376 E C 1.837 178.425 176.600 -0.020 0.000 0.982 376 E CA 0.624 57.016 56.400 -0.013 0.000 0.803 376 E CB -1.178 28.515 29.700 -0.011 0.000 0.755 376 E HN 0.115 nan 8.360 nan 0.000 0.453 377 L N 0.605 121.814 121.223 -0.023 0.000 2.072 377 L HA -0.095 4.245 4.340 -0.000 0.000 0.205 377 L C 1.896 178.736 176.870 -0.049 0.000 1.079 377 L CA 1.770 56.587 54.840 -0.037 0.000 0.752 377 L CB -0.882 41.154 42.059 -0.039 0.000 0.906 377 L HN 0.104 nan 8.230 nan 0.000 0.436 378 T N -0.043 114.491 114.554 -0.033 0.000 2.653 378 T HA -0.230 4.119 4.350 -0.000 0.000 0.268 378 T C 1.785 176.464 174.700 -0.036 0.000 1.035 378 T CA 1.653 63.735 62.100 -0.030 0.000 1.154 378 T CB -0.243 68.624 68.868 -0.002 0.000 0.862 378 T HN 0.229 nan 8.240 nan 0.000 0.441 379 K N 1.193 121.577 120.400 -0.027 0.000 2.362 379 K HA 0.024 4.343 4.320 -0.000 0.000 0.200 379 K C 1.604 178.185 176.600 -0.031 0.000 1.046 379 K CA 0.782 57.055 56.287 -0.024 0.000 0.952 379 K CB -0.072 32.418 32.500 -0.016 0.000 0.753 379 K HN 0.423 nan 8.250 nan 0.000 0.466 380 K N 0.651 121.026 120.400 -0.043 0.000 2.410 380 K HA 0.188 4.508 4.320 -0.000 0.000 0.200 380 K C 0.513 177.073 176.600 -0.067 0.000 1.023 380 K CA -0.136 56.123 56.287 -0.048 0.000 1.149 380 K CB 0.220 32.692 32.500 -0.047 0.000 0.859 380 K HN 0.010 nan 8.250 nan 0.000 0.514 381 L N 1.682 122.857 121.223 -0.079 0.000 2.475 381 L HA 0.200 4.539 4.340 -0.000 0.000 0.253 381 L C -2.012 174.819 176.870 -0.064 0.000 1.198 381 L CA -2.163 52.613 54.840 -0.106 0.000 0.814 381 L CB 0.017 41.997 42.059 -0.132 0.000 1.134 381 L HN -0.133 nan 8.230 nan 0.000 0.478 382 P HA -0.056 nan 4.420 nan 0.000 0.266 382 P C 0.149 177.441 177.300 -0.014 0.000 1.195 382 P CA 0.011 63.095 63.100 -0.027 0.000 0.768 382 P CB 0.484 32.176 31.700 -0.013 0.000 0.838 383 V N -0.330 119.579 119.914 -0.007 0.000 3.528 383 V HA 0.272 4.392 4.120 -0.000 0.000 0.294 383 V C 0.132 176.229 176.094 0.004 0.000 1.404 383 V CA 0.215 62.514 62.300 -0.001 0.000 1.065 383 V CB -1.146 30.676 31.823 -0.003 0.000 0.904 383 V HN 0.690 nan 8.190 nan 0.000 0.435 384 Q N -0.800 119.003 119.800 0.005 0.000 2.776 384 Q HA 0.515 4.854 4.340 -0.000 0.000 0.289 384 Q C -2.117 173.885 176.000 0.003 0.000 0.912 384 Q CA -0.705 55.102 55.803 0.005 0.000 0.789 384 Q CB 1.620 30.361 28.738 0.005 0.000 1.498 384 Q HN 0.146 nan 8.270 nan 0.000 0.408 385 D N 0.937 121.336 120.400 -0.002 0.000 2.481 385 D HA 0.309 4.949 4.640 -0.000 0.000 0.246 385 D C -0.187 176.105 176.300 -0.013 0.000 1.109 385 D CA -0.285 53.707 54.000 -0.014 0.000 0.845 385 D CB 1.947 42.729 40.800 -0.030 0.000 1.160 385 D HN 0.674 nan 8.370 nan 0.000 0.534 386 T N 1.586 116.138 114.554 -0.003 0.000 3.176 386 T HA 0.186 4.536 4.350 -0.000 0.000 0.263 386 T C 1.567 176.275 174.700 0.013 0.000 1.021 386 T CA -0.214 61.901 62.100 0.025 0.000 0.905 386 T CB -0.240 68.662 68.868 0.056 0.000 1.057 386 T HN 0.449 nan 8.240 nan 0.000 0.558 387 I N -1.166 119.350 120.570 -0.090 0.000 4.497 387 I HA -0.281 3.889 4.170 -0.000 0.000 0.059 387 I C 0.290 176.154 176.117 -0.421 0.000 0.607 387 I CA 1.528 62.657 61.300 -0.285 0.000 0.958 387 I CB -2.169 35.617 38.000 -0.358 0.000 0.864 387 I HN 0.398 nan 8.210 nan 0.000 0.166 388 F N 1.809 121.753 119.950 -0.009 0.000 2.403 388 F HA 0.594 5.121 4.527 -0.000 0.000 0.326 388 F C 0.904 176.707 175.800 0.005 0.000 1.081 388 F CA -0.398 57.604 58.000 0.002 0.000 1.041 388 F CB 1.334 40.340 39.000 0.011 0.000 1.234 388 F HN -0.140 nan 8.300 nan 0.000 0.503 389 S N 1.651 117.474 115.700 0.205 0.000 2.502 389 S HA 0.649 5.118 4.470 -0.000 0.000 0.304 389 S C -0.613 174.053 174.600 0.109 0.000 1.097 389 S CA -0.740 57.532 58.200 0.120 0.000 1.045 389 S CB 1.045 64.290 63.200 0.075 0.000 1.019 389 S HN 0.363 nan 8.310 nan 0.000 0.481 390 L N 3.604 124.872 121.223 0.076 0.000 2.421 390 L HA 0.504 4.844 4.340 -0.000 0.000 0.263 390 L C -1.929 174.964 176.870 0.039 0.000 1.122 390 L CA -2.012 52.858 54.840 0.051 0.000 0.804 390 L CB 0.092 42.172 42.059 0.036 0.000 1.150 390 L HN 0.380 nan 8.230 nan 0.000 0.457 391 P HA 0.137 nan 4.420 nan 0.000 0.280 391 P C -0.511 176.801 177.300 0.021 0.000 1.244 391 P CA -0.231 62.885 63.100 0.027 0.000 0.784 391 P CB 1.310 33.022 31.700 0.021 0.000 0.913 392 T N 0.000 114.566 114.554 0.020 0.000 3.816 392 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 392 T CA 0.000 62.109 62.100 0.015 0.000 1.349 392 T CB 0.000 68.877 68.868 0.015 0.000 0.612 392 T HN 0.000 nan 8.240 nan 0.000 0.658