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_A 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 SLPTQP 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 0.000 176.706 176.519 0.311 0.000 1.175 39 W CA 0.000 57.411 57.345 0.110 0.000 1.226 39 W CB 0.000 29.418 29.460 -0.070 0.000 1.126 40 R N 1.719 122.450 120.500 0.384 0.000 2.643 40 R HA 0.355 4.695 4.340 -0.000 0.000 0.270 40 R C 0.693 177.200 176.300 0.345 0.000 1.061 40 R CA 0.435 56.722 56.100 0.312 0.000 1.107 40 R CB 1.178 31.580 30.300 0.169 0.000 0.999 40 R HN 0.358 nan 8.270 nan 0.000 0.460 41 S N 1.254 117.100 115.700 0.243 0.000 2.570 41 S HA 0.265 4.734 4.470 -0.000 0.000 0.286 41 S C 0.967 175.597 174.600 0.050 0.000 1.099 41 S CA -1.003 57.297 58.200 0.167 0.000 0.913 41 S CB 1.343 64.589 63.200 0.077 0.000 1.085 41 S HN 0.599 nan 8.310 nan 0.000 0.480 42 L N 1.739 122.984 121.223 0.036 0.000 2.351 42 L HA -0.105 4.235 4.340 -0.000 0.000 0.220 42 L C 2.375 179.233 176.870 -0.019 0.000 1.127 42 L CA 1.513 56.359 54.840 0.009 0.000 0.786 42 L CB -0.625 41.438 42.059 0.006 0.000 0.914 42 L HN 0.948 nan 8.230 nan 0.000 0.443 43 S N -2.894 112.774 115.700 -0.053 0.000 2.512 43 S HA 0.068 4.538 4.470 -0.000 0.000 0.216 43 S C 0.826 175.365 174.600 -0.102 0.000 1.006 43 S CA -0.275 57.880 58.200 -0.074 0.000 0.915 43 S CB 0.166 63.314 63.200 -0.087 0.000 0.824 43 S HN 0.429 nan 8.310 nan 0.000 0.497 44 N N 1.010 119.635 118.700 -0.125 0.000 2.754 44 N HA -0.125 4.615 4.740 -0.000 0.000 0.248 44 N C -0.174 175.190 175.510 -0.244 0.000 1.093 44 N CA 0.801 53.763 53.050 -0.147 0.000 0.699 44 N CB -2.111 36.332 38.487 -0.073 0.000 1.016 44 N HN 0.556 nan 8.380 nan 0.000 0.552 45 V N 0.346 120.025 119.914 -0.392 0.000 2.763 45 V HA 0.069 4.189 4.120 -0.000 0.000 0.306 45 V C 0.767 176.543 176.094 -0.529 0.000 1.059 45 V CA -0.294 61.754 62.300 -0.420 0.000 1.138 45 V CB 1.133 32.678 31.823 -0.464 0.000 0.940 45 V HN 0.071 nan 8.190 nan 0.000 0.489 46 V N 8.443 128.192 119.914 -0.275 0.000 2.397 46 V HA 0.105 4.225 4.120 -0.000 0.000 0.262 46 V C 0.075 176.108 176.094 -0.102 0.000 1.047 46 V CA -0.305 61.896 62.300 -0.165 0.000 1.003 46 V CB -0.505 31.294 31.823 -0.041 0.000 1.037 46 V HN 0.934 nan 8.190 nan 0.000 0.480 47 W N 4.110 125.448 121.300 0.065 0.000 2.314 47 W HA 0.403 5.063 4.660 -0.000 0.000 0.339 47 W C 1.541 178.094 176.519 0.057 0.000 1.293 47 W CA 1.168 58.547 57.345 0.057 0.000 1.288 47 W CB 0.106 29.590 29.460 0.039 0.000 1.186 47 W HN 0.910 nan 8.180 nan 0.000 0.566 48 G N 1.327 110.327 108.800 0.333 0.000 2.396 48 G HA2 -0.422 3.537 3.960 -0.000 0.000 0.242 48 G HA3 -0.422 3.537 3.960 -0.000 0.000 0.242 48 G C 0.713 175.686 174.900 0.121 0.000 1.069 48 G CA 0.470 45.691 45.100 0.202 0.000 0.633 48 G HN 0.543 nan 8.290 nan 0.000 0.517 49 K N 1.531 121.991 120.400 0.099 0.000 2.511 49 K HA 0.223 4.543 4.320 -0.000 0.000 0.280 49 K C 0.582 177.206 176.600 0.041 0.000 1.008 49 K CA 0.878 57.197 56.287 0.052 0.000 1.050 49 K CB -0.006 32.511 32.500 0.027 0.000 0.889 49 K HN 0.303 nan 8.250 nan 0.000 0.484 50 D N 1.640 122.055 120.400 0.025 0.000 2.911 50 D HA -0.216 4.424 4.640 -0.000 0.000 0.227 50 D C -0.818 175.495 176.300 0.022 0.000 1.164 50 D CA 1.140 55.150 54.000 0.016 0.000 0.782 50 D CB -0.846 39.960 40.800 0.010 0.000 1.094 50 D HN 0.401 nan 8.370 nan 0.000 0.425 51 L N 0.182 121.415 121.223 0.016 0.000 2.431 51 L HA 0.424 4.764 4.340 -0.000 0.000 0.266 51 L C -1.846 174.942 176.870 -0.136 0.000 0.978 51 L CA -1.689 53.146 54.840 -0.008 0.000 0.822 51 L CB 2.310 44.424 42.059 0.092 0.000 1.310 51 L HN -0.271 nan 8.230 nan 0.000 0.409 52 P HA 0.084 nan 4.420 nan 0.000 0.269 52 P C -0.528 176.444 177.300 -0.547 0.000 1.217 52 P CA -0.399 62.516 63.100 -0.309 0.000 0.783 52 P CB 0.574 32.092 31.700 -0.304 0.000 0.898 53 A N 1.050 123.701 122.820 -0.282 0.000 2.498 53 A HA 0.190 4.510 4.320 -0.000 0.000 0.239 53 A C 0.210 177.660 177.584 -0.223 0.000 1.068 53 A CA 0.055 51.992 52.037 -0.167 0.000 0.766 53 A CB -0.658 18.404 19.000 0.104 0.000 1.003 53 A HN 0.460 nan 8.150 nan 0.000 0.497 54 F N 0.294 120.401 119.950 0.261 0.000 2.682 54 F HA 0.186 4.713 4.527 -0.000 0.000 0.308 54 F C 1.406 177.445 175.800 0.398 0.000 1.093 54 F CA 0.740 58.912 58.000 0.287 0.000 1.244 54 F CB 0.235 39.331 39.000 0.160 0.000 1.052 54 F HN 0.626 nan 8.300 nan 0.000 0.573 55 T N -3.017 111.780 114.554 0.405 0.000 2.906 55 T HA 0.587 4.936 4.350 -0.000 0.000 0.295 55 T C -1.591 173.036 174.700 -0.121 0.000 1.061 55 T CA -0.712 61.470 62.100 0.136 0.000 1.000 55 T CB 2.487 71.389 68.868 0.056 0.000 1.103 55 T HN -0.009 nan 8.240 nan 0.000 0.486 56 Y N 1.117 121.103 120.300 -0.523 0.000 2.406 56 Y HA 0.603 5.153 4.550 -0.000 0.000 0.340 56 Y C -0.001 175.741 175.900 -0.264 0.000 0.975 56 Y CA -1.047 56.705 58.100 -0.580 0.000 1.056 56 Y CB 1.933 39.724 38.460 -1.116 0.000 1.210 56 Y HN 1.044 nan 8.280 nan 0.000 0.448 57 A N 6.361 128.769 122.820 -0.687 0.000 3.051 57 A HA 0.060 4.380 4.320 -0.000 0.000 0.257 57 A C 0.869 178.295 177.584 -0.263 0.000 1.785 57 A CA -0.085 51.708 52.037 -0.406 0.000 1.420 57 A CB -1.435 17.347 19.000 -0.363 0.000 1.063 57 A HN 0.847 nan 8.150 nan 0.000 0.630 58 F N 2.005 121.853 119.950 -0.171 0.000 2.161 58 F HA -0.210 4.317 4.527 -0.000 0.000 0.300 58 F C 2.556 178.341 175.800 -0.024 0.000 1.089 58 F CA 1.920 59.963 58.000 0.073 0.000 1.282 58 F CB -0.415 38.685 39.000 0.165 0.000 1.010 58 F HN 0.523 nan 8.300 nan 0.000 0.485 59 S N -0.911 114.731 115.700 -0.097 0.000 2.500 59 S HA -0.177 4.293 4.470 -0.000 0.000 0.239 59 S C 1.644 176.130 174.600 -0.190 0.000 0.989 59 S CA 1.094 59.174 58.200 -0.199 0.000 0.951 59 S CB -0.581 62.527 63.200 -0.153 0.000 0.759 59 S HN 0.525 nan 8.310 nan 0.000 0.523 60 K N 0.795 121.100 120.400 -0.158 0.000 2.358 60 K HA 0.164 4.483 4.320 -0.000 0.000 0.200 60 K C -0.323 176.214 176.600 -0.105 0.000 1.030 60 K CA 0.001 56.209 56.287 -0.133 0.000 1.097 60 K CB 0.590 33.014 32.500 -0.127 0.000 0.862 60 K HN 0.276 nan 8.250 nan 0.000 0.534 61 T N 4.528 119.027 114.554 -0.091 0.000 2.834 61 T HA 0.097 4.447 4.350 -0.000 0.000 0.298 61 T C -2.294 172.360 174.700 -0.076 0.000 0.966 61 T CA -1.191 60.906 62.100 -0.005 0.000 1.141 61 T CB 0.620 69.585 68.868 0.162 0.000 0.905 61 T HN 0.061 nan 8.240 nan 0.000 0.535 62 P HA 0.127 nan 4.420 nan 0.000 0.268 62 P C -0.124 177.159 177.300 -0.027 0.000 1.204 62 P CA -0.292 62.786 63.100 -0.037 0.000 0.768 62 P CB 0.557 32.250 31.700 -0.013 0.000 0.842 63 L N 2.361 123.560 121.223 -0.039 0.000 2.439 63 L HA 0.182 4.522 4.340 -0.000 0.000 0.269 63 L C 0.600 177.486 176.870 0.026 0.000 1.179 63 L CA -0.547 54.298 54.840 0.008 0.000 0.828 63 L CB 0.373 42.440 42.059 0.014 0.000 1.106 63 L HN 0.135 nan 8.230 nan 0.000 0.467 64 V N 4.080 124.035 119.914 0.069 0.000 2.394 64 V HA 0.326 4.446 4.120 -0.000 0.000 0.282 64 V C 0.256 176.340 176.094 -0.017 0.000 1.031 64 V CA -0.500 61.800 62.300 0.001 0.000 0.881 64 V CB 1.612 33.453 31.823 0.030 0.000 0.982 64 V HN 0.448 nan 8.190 nan 0.000 0.451 65 L N 5.553 126.681 121.223 -0.157 0.000 2.307 65 L HA 0.559 4.899 4.340 -0.000 0.000 0.282 65 L C -0.820 175.844 176.870 -0.342 0.000 1.051 65 L CA -0.346 54.427 54.840 -0.112 0.000 0.804 65 L CB 0.932 42.953 42.059 -0.065 0.000 1.197 65 L HN 0.549 nan 8.230 nan 0.000 0.431 66 Y N -0.307 120.054 120.300 0.100 0.000 2.662 66 Y HA 0.189 4.738 4.550 -0.000 0.000 0.335 66 Y C 0.130 176.095 175.900 0.108 0.000 1.066 66 Y CA -0.962 57.209 58.100 0.119 0.000 1.116 66 Y CB 1.024 39.603 38.460 0.199 0.000 1.308 66 Y HN 0.465 nan 8.280 nan 0.000 0.502 67 D N 0.664 121.245 120.400 0.302 0.000 2.455 67 D HA 0.297 4.937 4.640 -0.000 0.000 0.234 67 D C 0.737 177.145 176.300 0.180 0.000 1.224 67 D CA 1.208 55.324 54.000 0.193 0.000 0.999 67 D CB -0.575 40.329 40.800 0.175 0.000 1.072 67 D HN 0.783 nan 8.370 nan 0.000 0.514 68 G N 2.126 111.022 108.800 0.159 0.000 2.131 68 G HA2 0.029 3.989 3.960 -0.000 0.000 0.223 68 G HA3 0.029 3.989 3.960 -0.000 0.000 0.223 68 G C 0.404 175.402 174.900 0.163 0.000 0.990 68 G CA -0.245 44.940 45.100 0.141 0.000 0.671 68 G HN 0.970 nan 8.290 nan 0.000 0.521 69 G N -1.393 107.532 108.800 0.208 0.000 2.673 69 G HA2 0.952 4.912 3.960 -0.000 0.000 0.292 69 G HA3 0.952 4.912 3.960 -0.000 0.000 0.292 69 G C -0.579 174.492 174.900 0.284 0.000 1.450 69 G CA 0.703 45.937 45.100 0.223 0.000 0.837 69 G HN 1.685 nan 8.290 nan 0.000 0.505 70 T N -2.241 112.464 114.554 0.251 0.000 2.906 70 T HA 0.851 5.200 4.350 -0.000 0.000 0.295 70 T C -0.631 174.255 174.700 0.311 0.000 1.075 70 T CA -0.659 61.615 62.100 0.290 0.000 1.005 70 T CB 2.379 71.395 68.868 0.245 0.000 1.136 70 T HN 1.370 nan 8.240 nan 0.000 0.498 71 T N 0.459 115.224 114.554 0.352 0.000 2.957 71 T HA 0.631 4.981 4.350 -0.000 0.000 0.336 71 T C -2.073 172.829 174.700 0.336 0.000 1.462 71 T CA -0.839 61.481 62.100 0.367 0.000 1.073 71 T CB 1.208 70.295 68.868 0.366 0.000 1.319 71 T HN 1.178 nan 8.240 nan 0.000 0.485 72 K N 2.449 123.085 120.400 0.393 0.000 2.533 72 K HA 0.791 5.111 4.320 -0.000 0.000 0.272 72 K C -1.381 175.581 176.600 0.603 0.000 0.985 72 K CA -1.129 55.381 56.287 0.370 0.000 0.876 72 K CB 2.064 34.667 32.500 0.173 0.000 1.452 72 K HN 0.743 nan 8.250 nan 0.000 0.439 73 Q N -0.155 120.011 119.800 0.610 0.000 2.456 73 Q HA 0.655 4.995 4.340 -0.000 0.000 0.284 73 Q C -1.737 174.542 176.000 0.465 0.000 1.061 73 Q CA -1.225 54.918 55.803 0.567 0.000 0.799 73 Q CB 2.603 31.592 28.738 0.418 0.000 1.445 73 Q HN 0.385 nan 8.270 nan 0.000 0.411 74 V N 0.717 120.731 119.914 0.167 0.000 2.524 74 V HA 0.853 4.973 4.120 -0.000 0.000 0.297 74 V C -0.911 175.108 176.094 -0.124 0.000 1.035 74 V CA 0.478 62.719 62.300 -0.098 0.000 0.867 74 V CB 1.159 32.654 31.823 -0.546 0.000 1.004 74 V HN 1.017 nan 8.190 nan 0.000 0.426 75 G N 3.099 111.561 108.800 -0.564 0.000 2.870 75 G HA2 0.425 4.385 3.960 -0.000 0.000 0.299 75 G HA3 0.425 4.385 3.960 -0.000 0.000 0.299 75 G C 0.764 175.099 174.900 -0.941 0.000 1.324 75 G CA 0.409 45.048 45.100 -0.767 0.000 0.808 75 G HN 0.999 nan 8.290 nan 0.000 0.535 76 T N -1.332 112.795 114.554 -0.712 0.000 2.849 76 T HA -0.243 4.107 4.350 -0.000 0.000 0.270 76 T C 1.970 176.464 174.700 -0.343 0.000 1.066 76 T CA 2.276 64.109 62.100 -0.445 0.000 1.130 76 T CB -0.715 67.993 68.868 -0.268 0.000 0.864 76 T HN 0.636 nan 8.240 nan 0.000 0.481 77 Y N 3.150 123.424 120.300 -0.043 0.000 2.403 77 Y HA 0.066 4.616 4.550 -0.000 0.000 0.291 77 Y C 1.923 177.819 175.900 -0.007 0.000 1.143 77 Y CA 0.677 58.761 58.100 -0.027 0.000 1.257 77 Y CB -0.801 37.642 38.460 -0.029 0.000 0.984 77 Y HN 0.427 nan 8.280 nan 0.000 0.550 78 N N -1.907 116.804 118.700 0.019 0.000 2.067 78 N HA 0.021 4.760 4.740 -0.000 0.000 0.227 78 N C -0.674 174.831 175.510 -0.009 0.000 1.348 78 N CA -0.230 52.863 53.050 0.072 0.000 0.879 78 N CB -0.119 38.458 38.487 0.150 0.000 1.109 78 N HN 0.246 nan 8.380 nan 0.000 0.501 79 F N 2.180 121.920 119.950 -0.350 0.000 2.769 79 F HA 0.566 5.093 4.527 -0.000 0.000 0.358 79 F C -2.212 173.421 175.800 -0.278 0.000 1.285 79 F CA -2.824 54.978 58.000 -0.329 0.000 1.199 79 F CB 1.503 40.200 39.000 -0.505 0.000 1.558 79 F HN -0.265 nan 8.300 nan 0.000 0.583 80 P HA -0.195 nan 4.420 nan 0.000 0.216 80 P C 2.060 179.134 177.300 -0.376 0.000 1.150 80 P CA 1.225 64.198 63.100 -0.212 0.000 0.843 80 P CB 0.454 32.091 31.700 -0.106 0.000 0.787 81 V N -0.447 119.138 119.914 -0.548 0.000 2.515 81 V HA -0.123 3.996 4.120 -0.000 0.000 0.250 81 V C 1.444 177.015 176.094 -0.870 0.000 1.058 81 V CA 1.773 63.736 62.300 -0.561 0.000 1.064 81 V CB -1.019 30.530 31.823 -0.457 0.000 0.675 81 V HN 0.118 nan 8.190 nan 0.000 0.461 82 S N -0.120 114.767 115.700 -1.355 0.000 4.117 82 S HA 0.046 4.516 4.470 -0.000 0.000 0.191 82 S C 1.248 175.324 174.600 -0.874 0.000 1.308 82 S CA 0.007 57.172 58.200 -1.726 0.000 0.906 82 S CB -0.578 61.916 63.200 -1.177 0.000 1.565 82 S HN 0.636 nan 8.310 nan 0.000 0.439 83 K N 1.447 121.493 120.400 -0.590 0.000 2.116 83 K HA 0.058 4.378 4.320 -0.000 0.000 0.203 83 K C 2.117 178.668 176.600 -0.082 0.000 1.052 83 K CA 0.961 57.110 56.287 -0.230 0.000 0.952 83 K CB -0.153 32.272 32.500 -0.125 0.000 0.729 83 K HN 0.559 nan 8.250 nan 0.000 0.446 84 G N 0.072 108.902 108.800 0.050 0.000 2.777 84 G HA2 0.113 4.072 3.960 -0.000 0.000 0.211 84 G HA3 0.113 4.072 3.960 -0.000 0.000 0.211 84 G C 0.361 175.304 174.900 0.071 0.000 1.149 84 G CA 0.013 45.166 45.100 0.088 0.000 0.785 84 G HN 0.040 nan 8.290 nan 0.000 0.536 85 M N -0.374 119.274 119.600 0.081 0.000 2.470 85 M HA 0.603 5.083 4.480 -0.000 0.000 0.285 85 M C -1.419 174.849 176.300 -0.054 0.000 1.213 85 M CA -0.587 54.713 55.300 0.001 0.000 0.901 85 M CB 2.880 35.465 32.600 -0.024 0.000 1.718 85 M HN -0.009 nan 8.290 nan 0.000 0.469 86 A N 0.971 123.738 122.820 -0.089 0.000 2.401 86 A HA 0.959 5.279 4.320 -0.000 0.000 0.310 86 A C -0.521 176.980 177.584 -0.139 0.000 1.075 86 A CA -0.624 51.394 52.037 -0.033 0.000 0.746 86 A CB 1.626 20.689 19.000 0.104 0.000 1.277 86 A HN 0.901 nan 8.150 nan 0.000 0.425 87 G N -0.249 108.513 108.800 -0.062 0.000 2.416 87 G HA2 0.577 4.537 3.960 -0.000 0.000 0.329 87 G HA3 0.577 4.537 3.960 -0.000 0.000 0.329 87 G C -1.362 173.682 174.900 0.240 0.000 1.173 87 G CA -0.473 44.552 45.100 -0.125 0.000 0.929 87 G HN 0.909 nan 8.290 nan 0.000 0.475 88 V N 1.995 122.109 119.914 0.335 0.000 2.577 88 V HA 0.320 4.440 4.120 -0.000 0.000 0.303 88 V C -1.140 175.242 176.094 0.481 0.000 1.042 88 V CA -0.864 61.733 62.300 0.494 0.000 0.872 88 V CB 1.515 33.678 31.823 0.566 0.000 0.998 88 V HN 0.769 nan 8.190 nan 0.000 0.423 89 Y N 6.078 126.674 120.300 0.493 0.000 2.308 89 Y HA 0.753 5.302 4.550 -0.000 0.000 0.329 89 Y C -0.137 175.824 175.900 0.103 0.000 1.111 89 Y CA -0.300 57.965 58.100 0.276 0.000 1.179 89 Y CB 1.325 39.960 38.460 0.292 0.000 1.201 89 Y HN 0.709 nan 8.280 nan 0.000 0.483 90 M N 5.744 124.896 119.600 -0.747 0.000 2.470 90 M HA 0.485 4.965 4.480 -0.000 0.000 0.285 90 M C -1.699 173.881 176.300 -1.201 0.000 1.213 90 M CA -0.442 54.444 55.300 -0.689 0.000 0.901 90 M CB 1.945 34.297 32.600 -0.414 0.000 1.718 90 M HN 0.714 nan 8.290 nan 0.000 0.469 91 S N 4.706 120.089 115.700 -0.528 0.000 2.536 91 S HA 0.847 5.317 4.470 -0.000 0.000 0.287 91 S C -1.585 173.022 174.600 0.010 0.000 1.101 91 S CA -0.758 57.267 58.200 -0.291 0.000 0.950 91 S CB 1.713 64.887 63.200 -0.045 0.000 1.056 91 S HN 0.797 nan 8.310 nan 0.000 0.481 92 L N 2.431 123.744 121.223 0.150 0.000 2.401 92 L HA 0.597 4.937 4.340 -0.000 0.000 0.266 92 L C 0.051 177.018 176.870 0.160 0.000 0.991 92 L CA -0.718 54.241 54.840 0.198 0.000 0.818 92 L CB 2.184 44.415 42.059 0.287 0.000 1.321 92 L HN 0.778 nan 8.230 nan 0.000 0.413 93 E N 2.185 122.464 120.200 0.132 0.000 2.330 93 E HA 0.372 4.722 4.350 -0.000 0.000 0.256 93 E C -2.465 174.192 176.600 0.096 0.000 1.146 93 E CA -2.002 54.462 56.400 0.107 0.000 0.945 93 E CB 0.431 30.188 29.700 0.095 0.000 1.182 93 E HN 0.269 nan 8.360 nan 0.000 0.480 94 P HA 0.048 nan 4.420 nan 0.000 0.266 94 P C 0.385 177.721 177.300 0.060 0.000 1.215 94 P CA 0.794 63.932 63.100 0.063 0.000 0.763 94 P CB 0.259 31.990 31.700 0.051 0.000 0.806 95 G N 2.307 111.142 108.800 0.059 0.000 2.176 95 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.253 95 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.253 95 G C 0.290 175.233 174.900 0.071 0.000 0.979 95 G CA -0.047 45.087 45.100 0.056 0.000 0.641 95 G HN 0.842 nan 8.290 nan 0.000 0.530 96 A N -0.015 122.855 122.820 0.083 0.000 2.301 96 A HA 0.800 5.120 4.320 -0.000 0.000 0.298 96 A C -0.016 177.621 177.584 0.088 0.000 1.185 96 A CA -0.245 51.849 52.037 0.096 0.000 0.830 96 A CB 0.829 19.897 19.000 0.113 0.000 1.112 96 A HN 1.129 nan 8.150 nan 0.000 0.508 97 I N 1.747 122.362 120.570 0.074 0.000 2.493 97 I HA 0.535 4.705 4.170 -0.000 0.000 0.298 97 I C 0.118 176.246 176.117 0.019 0.000 0.998 97 I CA -1.102 60.229 61.300 0.051 0.000 1.137 97 I CB 1.488 39.513 38.000 0.040 0.000 1.310 97 I HN 0.759 nan 8.210 nan 0.000 0.445 98 R N 6.834 127.342 120.500 0.014 0.000 2.220 98 R HA 0.170 4.510 4.340 -0.000 0.000 0.340 98 R C -0.266 176.016 176.300 -0.031 0.000 1.076 98 R CA -0.338 55.713 56.100 -0.082 0.000 0.920 98 R CB 0.275 30.577 30.300 0.004 0.000 1.062 98 R HN 0.673 nan 8.270 nan 0.000 0.469 99 E N 3.592 123.745 120.200 -0.078 0.000 2.485 99 E HA -0.120 4.230 4.350 -0.000 0.000 0.266 99 E C -0.606 176.040 176.600 0.075 0.000 1.090 99 E CA -0.288 56.111 56.400 -0.001 0.000 0.987 99 E CB 0.459 30.154 29.700 -0.009 0.000 0.974 99 E HN 0.532 nan 8.360 nan 0.000 0.455 100 L N 3.579 124.834 121.223 0.053 0.000 2.660 100 L HA -0.004 4.336 4.340 -0.000 0.000 0.272 100 L C 0.524 177.466 176.870 0.120 0.000 1.194 100 L CA 0.550 55.411 54.840 0.035 0.000 0.945 100 L CB -0.734 41.350 42.059 0.041 0.000 1.212 100 L HN 0.618 nan 8.230 nan 0.000 0.490 101 H N 2.512 121.507 119.070 -0.126 0.000 2.990 101 H HA 0.538 5.094 4.556 -0.000 0.000 0.343 101 H C -1.489 173.761 175.328 -0.130 0.000 1.270 101 H CA -1.112 54.883 56.048 -0.087 0.000 1.118 101 H CB 1.405 31.095 29.762 -0.121 0.000 1.861 101 H HN 0.588 nan 8.280 nan 0.000 0.544 102 W N 0.573 121.773 121.300 -0.165 0.000 3.062 102 W HA 0.606 5.265 4.660 -0.001 0.000 0.336 102 W C -2.041 174.483 176.519 0.009 0.000 1.224 102 W CA -1.155 56.020 57.345 -0.283 0.000 1.159 102 W CB 0.906 30.249 29.460 -0.195 0.000 1.454 102 W HN 0.909 nan 8.180 nan 0.000 0.569 103 H N -0.134 119.197 119.070 0.436 0.000 3.224 103 H HA 0.650 5.206 4.556 -0.000 0.000 0.331 103 H C 0.042 175.580 175.328 0.351 0.000 1.002 103 H CA -0.613 55.649 56.048 0.357 0.000 1.473 103 H CB 0.865 30.944 29.762 0.529 0.000 1.830 103 H HN 0.759 nan 8.280 nan 0.000 0.485 104 A N 2.761 125.792 122.820 0.353 0.000 2.067 104 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 104 A C 1.763 179.501 177.584 0.257 0.000 1.156 104 A CA 0.993 53.193 52.037 0.273 0.000 0.683 104 A CB -0.326 18.770 19.000 0.159 0.000 0.808 104 A HN 0.864 nan 8.150 nan 0.000 0.455 105 N N 0.189 119.056 118.700 0.279 0.000 2.521 105 N HA 0.227 4.967 4.740 -0.000 0.000 0.188 105 N C 0.155 175.813 175.510 0.246 0.000 1.146 105 N CA 1.019 54.208 53.050 0.233 0.000 0.893 105 N CB -0.001 38.616 38.487 0.216 0.000 0.975 105 N HN 0.404 nan 8.380 nan 0.000 0.451 106 A N -0.380 122.623 122.820 0.305 0.000 2.566 106 A HA 0.700 5.019 4.320 -0.000 0.000 0.297 106 A C -1.114 176.622 177.584 0.254 0.000 1.059 106 A CA -0.564 51.616 52.037 0.238 0.000 0.691 106 A CB 1.100 20.204 19.000 0.174 0.000 1.282 106 A HN 0.315 nan 8.150 nan 0.000 0.401 107 A N 0.890 123.767 122.820 0.096 0.000 2.316 107 A HA 0.695 5.014 4.320 -0.000 0.000 0.284 107 A C 0.011 177.494 177.584 -0.168 0.000 1.115 107 A CA -0.179 51.810 52.037 -0.080 0.000 0.812 107 A CB 0.516 19.409 19.000 -0.179 0.000 1.064 107 A HN 0.844 nan 8.150 nan 0.000 0.489 108 E N 1.275 121.278 120.200 -0.327 0.000 2.145 108 E HA 0.363 4.713 4.350 -0.000 0.000 0.262 108 E C -1.700 174.615 176.600 -0.476 0.000 0.883 108 E CA -0.356 55.739 56.400 -0.509 0.000 0.748 108 E CB 0.876 30.498 29.700 -0.131 0.000 1.140 108 E HN 0.660 nan 8.360 nan 0.000 0.417 109 W N 4.256 125.189 121.300 -0.612 0.000 2.520 109 W HA 0.662 5.322 4.660 -0.000 0.000 0.323 109 W C -1.337 174.808 176.519 -0.624 0.000 1.062 109 W CA -0.406 56.691 57.345 -0.415 0.000 1.215 109 W CB 1.538 30.861 29.460 -0.228 0.000 1.340 109 W HN 0.555 nan 8.180 nan 0.000 0.516 110 A N 5.074 127.166 122.820 -1.213 0.000 2.422 110 A HA 0.580 4.900 4.320 -0.000 0.000 0.302 110 A C -2.535 174.302 177.584 -1.246 0.000 1.041 110 A CA -0.569 50.669 52.037 -1.332 0.000 0.708 110 A CB 1.136 18.629 19.000 -2.513 0.000 1.257 110 A HN 0.675 nan 8.150 nan 0.000 0.414 111 Y N 2.395 122.227 120.300 -0.780 0.000 2.331 111 Y HA 0.521 5.070 4.550 -0.000 0.000 0.334 111 Y C -0.710 175.007 175.900 -0.305 0.000 0.960 111 Y CA -0.712 57.092 58.100 -0.494 0.000 1.130 111 Y CB 1.729 40.112 38.460 -0.128 0.000 1.164 111 Y HN 0.465 nan 8.280 nan 0.000 0.458 112 V N 8.817 128.228 119.914 -0.839 0.000 2.405 112 V HA 0.022 4.142 4.120 -0.000 0.000 0.264 112 V C 0.901 176.666 176.094 -0.548 0.000 1.048 112 V CA 0.347 62.359 62.300 -0.480 0.000 0.966 112 V CB 0.750 32.383 31.823 -0.318 0.000 1.015 112 V HN 1.041 nan 8.190 nan 0.000 0.477 113 M N 2.284 121.789 119.600 -0.158 0.000 2.287 113 M HA 0.149 4.629 4.480 -0.000 0.000 0.266 113 M C 0.379 176.704 176.300 0.042 0.000 1.079 113 M CA 1.357 56.675 55.300 0.029 0.000 1.146 113 M CB 0.268 32.979 32.600 0.185 0.000 1.374 113 M HN 0.548 nan 8.290 nan 0.000 0.435 114 E N -0.562 119.665 120.200 0.045 0.000 2.390 114 E HA 0.540 4.890 4.350 -0.000 0.000 0.277 114 E C -0.156 176.481 176.600 0.061 0.000 0.939 114 E CA 0.120 56.556 56.400 0.059 0.000 0.769 114 E CB 1.811 31.566 29.700 0.092 0.000 1.251 114 E HN 0.288 nan 8.360 nan 0.000 0.450 115 G N 1.856 110.685 108.800 0.048 0.000 2.525 115 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 115 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 115 G C -0.686 174.237 174.900 0.037 0.000 1.238 115 G CA -0.214 44.918 45.100 0.054 0.000 0.926 115 G HN 0.452 nan 8.290 nan 0.000 0.574 116 R N 0.191 120.720 120.500 0.049 0.000 2.533 116 R HA 0.632 4.972 4.340 -0.000 0.000 0.288 116 R C -0.009 176.309 176.300 0.031 0.000 1.039 116 R CA 0.021 56.138 56.100 0.027 0.000 0.909 116 R CB 2.092 32.403 30.300 0.017 0.000 1.195 116 R HN 1.021 nan 8.270 nan 0.000 0.438 117 T N -0.895 113.664 114.554 0.008 0.000 2.942 117 T HA 0.601 4.951 4.350 -0.000 0.000 0.289 117 T C -0.388 174.276 174.700 -0.060 0.000 1.044 117 T CA -1.030 61.050 62.100 -0.033 0.000 1.023 117 T CB 2.095 70.901 68.868 -0.102 0.000 1.123 117 T HN 0.482 nan 8.240 nan 0.000 0.512 118 R N 0.956 121.399 120.500 -0.095 0.000 2.513 118 R HA 0.615 4.955 4.340 -0.000 0.000 0.301 118 R C -1.040 175.151 176.300 -0.181 0.000 0.968 118 R CA -1.003 55.034 56.100 -0.105 0.000 0.872 118 R CB 0.808 31.074 30.300 -0.058 0.000 1.177 118 R HN 0.800 nan 8.270 nan 0.000 0.444 119 I N 0.547 120.990 120.570 -0.212 0.000 2.525 119 I HA 0.610 4.779 4.170 -0.000 0.000 0.301 119 I C -0.241 175.785 176.117 -0.151 0.000 0.992 119 I CA -0.414 60.732 61.300 -0.257 0.000 1.162 119 I CB 2.192 39.981 38.000 -0.351 0.000 1.332 119 I HN 0.611 nan 8.210 nan 0.000 0.458 120 T N 3.611 118.060 114.554 -0.176 0.000 2.863 120 T HA 0.789 5.139 4.350 -0.000 0.000 0.285 120 T C -0.976 173.579 174.700 -0.241 0.000 1.009 120 T CA -0.683 61.327 62.100 -0.149 0.000 0.989 120 T CB 1.552 70.353 68.868 -0.112 0.000 1.004 120 T HN 0.827 nan 8.240 nan 0.000 0.455 121 L N 2.104 123.221 121.223 -0.175 0.000 2.438 121 L HA 0.698 5.038 4.340 -0.000 0.000 0.270 121 L C -0.894 175.917 176.870 -0.099 0.000 0.972 121 L CA -0.085 54.639 54.840 -0.193 0.000 0.831 121 L CB 2.401 44.392 42.059 -0.113 0.000 1.273 121 L HN 0.968 nan 8.230 nan 0.000 0.405 122 T N 2.712 117.194 114.554 -0.119 0.000 2.809 122 T HA 0.553 4.902 4.350 -0.000 0.000 0.284 122 T C -0.243 174.217 174.700 -0.400 0.000 0.992 122 T CA -0.453 61.526 62.100 -0.202 0.000 0.957 122 T CB 1.299 70.054 68.868 -0.188 0.000 0.942 122 T HN 0.735 nan 8.240 nan 0.000 0.439 123 S N 3.135 118.450 115.700 -0.642 0.000 2.652 123 S HA 0.401 4.870 4.470 -0.000 0.000 0.270 123 S C -1.857 172.214 174.600 -0.883 0.000 1.243 123 S CA -1.374 56.011 58.200 -1.357 0.000 0.999 123 S CB 0.866 63.193 63.200 -1.456 0.000 0.973 123 S HN 0.289 nan 8.310 nan 0.000 0.544 124 P HA -0.038 nan 4.420 nan 0.000 0.224 124 P C 0.341 177.441 177.300 -0.333 0.000 1.142 124 P CA 1.091 63.900 63.100 -0.484 0.000 0.778 124 P CB -0.046 31.443 31.700 -0.352 0.000 0.764 125 E N -1.243 118.745 120.200 -0.354 0.000 2.394 125 E HA 0.234 4.583 4.350 -0.000 0.000 0.191 125 E C 0.998 177.476 176.600 -0.204 0.000 1.044 125 E CA 0.002 56.266 56.400 -0.226 0.000 0.939 125 E CB -0.525 29.066 29.700 -0.182 0.000 1.089 125 E HN 0.101 nan 8.360 nan 0.000 0.456 126 G N 2.194 110.853 108.800 -0.235 0.000 2.187 126 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.261 126 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.261 126 G C 0.137 174.939 174.900 -0.165 0.000 1.000 126 G CA 0.658 45.647 45.100 -0.186 0.000 0.718 126 G HN 0.194 nan 8.290 nan 0.000 0.519 127 K N -0.796 119.486 120.400 -0.198 0.000 2.110 127 K HA 0.719 5.039 4.320 -0.000 0.000 0.263 127 K C -0.343 176.174 176.600 -0.138 0.000 0.975 127 K CA -0.701 55.502 56.287 -0.140 0.000 0.895 127 K CB 2.551 34.986 32.500 -0.109 0.000 1.060 127 K HN 0.115 nan 8.250 nan 0.000 0.448 128 V N 1.514 121.381 119.914 -0.078 0.000 2.876 128 V HA 0.312 4.431 4.120 -0.000 0.000 0.312 128 V C -1.478 174.608 176.094 -0.013 0.000 1.085 128 V CA -0.561 61.702 62.300 -0.061 0.000 0.945 128 V CB 2.024 33.807 31.823 -0.066 0.000 1.017 128 V HN 0.863 nan 8.190 nan 0.000 0.428 129 E N 4.798 124.999 120.200 0.003 0.000 2.210 129 E HA 0.592 4.942 4.350 -0.000 0.000 0.266 129 E C -1.593 175.013 176.600 0.010 0.000 0.883 129 E CA -0.629 55.794 56.400 0.038 0.000 0.761 129 E CB 1.810 31.574 29.700 0.108 0.000 1.156 129 E HN 0.662 nan 8.360 nan 0.000 0.412 130 I N 3.724 124.300 120.570 0.009 0.000 2.411 130 I HA 0.597 4.767 4.170 -0.000 0.000 0.284 130 I C -0.596 175.522 176.117 0.002 0.000 1.012 130 I CA -0.465 60.829 61.300 -0.011 0.000 1.119 130 I CB 1.559 39.548 38.000 -0.018 0.000 1.261 130 I HN 0.545 nan 8.210 nan 0.000 0.448 131 A N 4.382 127.199 122.820 -0.005 0.000 2.587 131 A HA 0.707 5.026 4.320 -0.000 0.000 0.293 131 A C -1.596 175.978 177.584 -0.016 0.000 1.087 131 A CA -0.704 51.337 52.037 0.006 0.000 0.692 131 A CB 1.650 20.675 19.000 0.042 0.000 1.291 131 A HN 0.506 nan 8.150 nan 0.000 0.407 132 D N 0.352 120.746 120.400 -0.010 0.000 2.210 132 D HA 0.538 5.178 4.640 -0.000 0.000 0.249 132 D C -0.679 175.617 176.300 -0.007 0.000 1.062 132 D CA 0.269 54.259 54.000 -0.017 0.000 0.891 132 D CB 1.676 42.467 40.800 -0.014 0.000 1.186 132 D HN 0.242 nan 8.370 nan 0.000 0.432 133 V N 2.887 122.802 119.914 0.001 0.000 2.525 133 V HA 0.320 4.440 4.120 -0.000 0.000 0.299 133 V C -0.364 175.719 176.094 -0.018 0.000 1.034 133 V CA -0.912 61.395 62.300 0.013 0.000 0.863 133 V CB 1.959 33.867 31.823 0.141 0.000 0.999 133 V HN 0.393 nan 8.190 nan 0.000 0.423 134 D N 1.989 122.353 120.400 -0.061 0.000 2.569 134 D HA 0.306 4.945 4.640 -0.000 0.000 0.266 134 D C 0.045 176.268 176.300 -0.130 0.000 1.164 134 D CA -0.853 53.106 54.000 -0.068 0.000 1.071 134 D CB 1.043 41.812 40.800 -0.051 0.000 1.183 134 D HN 0.521 nan 8.370 nan 0.000 0.613 135 K N -0.031 120.306 120.400 -0.106 0.000 2.473 135 K HA 0.136 4.456 4.320 -0.000 0.000 0.277 135 K C 0.802 177.291 176.600 -0.184 0.000 1.052 135 K CA 1.066 57.264 56.287 -0.148 0.000 1.114 135 K CB -0.378 32.089 32.500 -0.054 0.000 0.869 135 K HN 0.623 nan 8.250 nan 0.000 0.481 136 G N 2.345 110.925 108.800 -0.366 0.000 2.175 136 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 136 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 136 G C 0.269 175.034 174.900 -0.224 0.000 0.982 136 G CA -0.194 44.781 45.100 -0.209 0.000 0.641 136 G HN 0.973 nan 8.290 nan 0.000 0.527 137 G N -0.319 108.274 108.800 -0.345 0.000 2.412 137 G HA2 0.707 4.667 3.960 -0.000 0.000 0.318 137 G HA3 0.707 4.667 3.960 -0.000 0.000 0.318 137 G C -0.063 174.609 174.900 -0.380 0.000 1.146 137 G CA -0.758 44.172 45.100 -0.284 0.000 0.882 137 G HN 0.612 nan 8.290 nan 0.000 0.501 138 L N -0.012 121.000 121.223 -0.351 0.000 2.322 138 L HA 0.737 5.077 4.340 -0.000 0.000 0.269 138 L C -0.560 176.121 176.870 -0.315 0.000 1.012 138 L CA -1.026 53.496 54.840 -0.530 0.000 0.815 138 L CB 2.017 43.763 42.059 -0.521 0.000 1.295 138 L HN 0.812 nan 8.230 nan 0.000 0.438 139 W N 1.052 122.076 121.300 -0.459 0.000 3.031 139 W HA 0.635 5.295 4.660 -0.000 0.000 0.337 139 W C -1.943 174.362 176.519 -0.356 0.000 1.187 139 W CA -1.431 55.727 57.345 -0.311 0.000 1.166 139 W CB 0.553 29.744 29.460 -0.448 0.000 1.437 139 W HN 0.324 nan 8.180 nan 0.000 0.551 140 Y N 3.327 123.673 120.300 0.077 0.000 2.329 140 Y HA 0.603 5.153 4.550 -0.000 0.000 0.328 140 Y C -1.795 174.215 175.900 0.183 0.000 0.992 140 Y CA -1.880 56.188 58.100 -0.052 0.000 1.151 140 Y CB 0.914 39.275 38.460 -0.164 0.000 1.150 140 Y HN 0.338 nan 8.280 nan 0.000 0.450 141 F N 7.868 127.552 119.950 -0.443 0.000 2.332 141 F HA 0.468 4.995 4.527 -0.000 0.000 0.368 141 F C -2.272 173.038 175.800 -0.816 0.000 1.110 141 F CA -3.652 54.045 58.000 -0.505 0.000 1.087 141 F CB 0.754 39.427 39.000 -0.545 0.000 1.235 141 F HN 0.395 nan 8.300 nan 0.000 0.470 142 P HA 0.042 nan 4.420 nan 0.000 0.266 142 P C 0.004 177.048 177.300 -0.428 0.000 1.195 142 P CA -0.199 62.447 63.100 -0.756 0.000 0.768 142 P CB 0.484 31.368 31.700 -1.360 0.000 0.838 143 R N 2.350 122.786 120.500 -0.106 0.000 2.669 143 R HA -0.015 4.325 4.340 -0.000 0.000 0.283 143 R C 1.521 177.971 176.300 0.250 0.000 0.851 143 R CA 1.590 57.768 56.100 0.129 0.000 1.126 143 R CB -1.141 29.262 30.300 0.172 0.000 0.883 143 R HN 0.933 nan 8.270 nan 0.000 0.418 144 G N 2.241 111.225 108.800 0.307 0.000 2.189 144 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.267 144 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.267 144 G C -0.493 174.606 174.900 0.333 0.000 0.975 144 G CA 0.090 45.383 45.100 0.322 0.000 0.644 144 G HN 0.571 nan 8.290 nan 0.000 0.537 145 W N 1.138 122.443 121.300 0.009 0.000 2.238 145 W HA 0.610 5.270 4.660 -0.000 0.000 0.321 145 W C 0.996 177.497 176.519 -0.030 0.000 1.293 145 W CA -0.587 56.722 57.345 -0.061 0.000 1.204 145 W CB 0.409 29.819 29.460 -0.083 0.000 1.167 145 W HN 0.467 nan 8.180 nan 0.000 0.553 146 G N 3.822 112.651 108.800 0.049 0.000 2.406 146 G HA2 0.460 4.420 3.960 -0.000 0.000 0.251 146 G HA3 0.460 4.420 3.960 -0.000 0.000 0.251 146 G C -0.475 174.347 174.900 -0.130 0.000 1.271 146 G CA -0.193 44.873 45.100 -0.057 0.000 0.859 146 G HN 0.657 nan 8.290 nan 0.000 0.540 147 H N -1.126 117.700 119.070 -0.407 0.000 2.990 147 H HA 0.753 5.308 4.556 -0.000 0.000 0.336 147 H C -0.779 174.305 175.328 -0.406 0.000 1.306 147 H CA -0.531 55.156 56.048 -0.601 0.000 1.118 147 H CB 1.300 30.300 29.762 -1.270 0.000 1.856 147 H HN 0.792 nan 8.280 nan 0.000 0.538 148 S N 0.462 116.023 115.700 -0.233 0.000 2.618 148 S HA 0.765 5.235 4.470 -0.000 0.000 0.277 148 S C -1.101 173.448 174.600 -0.085 0.000 1.138 148 S CA -0.893 57.249 58.200 -0.095 0.000 0.844 148 S CB 1.879 65.033 63.200 -0.077 0.000 1.127 148 S HN 0.593 nan 8.310 nan 0.000 0.474 149 I N 0.899 121.452 120.570 -0.028 0.000 2.548 149 I HA 0.495 4.664 4.170 -0.000 0.000 0.287 149 I C -0.651 175.442 176.117 -0.040 0.000 1.103 149 I CA -0.320 60.905 61.300 -0.125 0.000 1.049 149 I CB 2.044 39.966 38.000 -0.131 0.000 1.232 149 I HN 0.834 nan 8.210 nan 0.000 0.429 150 E N 4.176 124.339 120.200 -0.062 0.000 2.212 150 E HA 0.653 5.002 4.350 -0.000 0.000 0.268 150 E C -0.440 176.170 176.600 0.017 0.000 0.902 150 E CA -0.814 55.587 56.400 0.002 0.000 0.779 150 E CB 2.162 31.863 29.700 0.001 0.000 1.172 150 E HN 0.759 nan 8.360 nan 0.000 0.409 151 G N 4.525 113.368 108.800 0.071 0.000 2.339 151 G HA2 0.437 4.397 3.960 -0.000 0.000 0.287 151 G HA3 0.437 4.397 3.960 -0.000 0.000 0.287 151 G C 0.059 174.994 174.900 0.059 0.000 1.163 151 G CA -0.543 44.610 45.100 0.089 0.000 0.872 151 G HN 0.551 nan 8.290 nan 0.000 0.464 152 I N 1.256 121.854 120.570 0.045 0.000 2.460 152 I HA 0.773 4.943 4.170 -0.000 0.000 0.298 152 I C 0.810 176.950 176.117 0.039 0.000 0.989 152 I CA -1.082 60.238 61.300 0.034 0.000 1.173 152 I CB 1.696 39.707 38.000 0.018 0.000 1.338 152 I HN 0.512 nan 8.210 nan 0.000 0.456 153 G N 4.369 113.190 108.800 0.035 0.000 2.661 153 G HA2 0.256 4.215 3.960 -0.000 0.000 0.272 153 G HA3 0.256 4.215 3.960 -0.000 0.000 0.272 153 G C -1.606 173.314 174.900 0.032 0.000 1.296 153 G CA -0.664 44.458 45.100 0.036 0.000 0.998 153 G HN 0.697 nan 8.290 nan 0.000 0.553 154 P HA 0.121 nan 4.420 nan 0.000 0.239 154 P C -0.120 177.205 177.300 0.041 0.000 1.188 154 P CA 0.522 63.642 63.100 0.033 0.000 0.794 154 P CB 0.266 31.983 31.700 0.028 0.000 0.937 155 D N -1.069 119.359 120.400 0.047 0.000 2.567 155 D HA 0.286 4.925 4.640 -0.000 0.000 0.275 155 D C -0.354 175.988 176.300 0.070 0.000 1.195 155 D CA -0.599 53.434 54.000 0.056 0.000 1.087 155 D CB -0.447 40.386 40.800 0.054 0.000 1.165 155 D HN -0.341 nan 8.370 nan 0.000 0.609 156 T N -0.079 114.524 114.554 0.080 0.000 2.771 156 T HA 0.544 4.894 4.350 -0.000 0.000 0.291 156 T C -0.112 174.657 174.700 0.115 0.000 0.954 156 T CA -0.638 61.521 62.100 0.099 0.000 1.045 156 T CB 0.818 69.745 68.868 0.099 0.000 0.917 156 T HN 0.511 nan 8.240 nan 0.000 0.484 157 A N 4.652 127.563 122.820 0.151 0.000 2.409 157 A HA 0.502 4.822 4.320 -0.000 0.000 0.262 157 A C 0.172 177.879 177.584 0.205 0.000 1.113 157 A CA -0.409 51.756 52.037 0.214 0.000 0.790 157 A CB 0.258 19.429 19.000 0.286 0.000 1.046 157 A HN 0.773 nan 8.150 nan 0.000 0.496 158 K N 2.315 122.810 120.400 0.158 0.000 2.471 158 K HA 0.632 4.952 4.320 -0.000 0.000 0.252 158 K C -1.458 175.130 176.600 -0.020 0.000 0.938 158 K CA -0.220 56.015 56.287 -0.087 0.000 0.796 158 K CB 1.895 34.400 32.500 0.007 0.000 1.161 158 K HN 0.664 nan 8.250 nan 0.000 0.425 159 F N -0.493 119.309 119.950 -0.247 0.000 2.645 159 F HA 0.581 5.108 4.527 -0.000 0.000 0.310 159 F C -1.336 174.333 175.800 -0.218 0.000 1.102 159 F CA -1.596 56.272 58.000 -0.220 0.000 0.952 159 F CB 0.738 39.611 39.000 -0.212 0.000 1.326 159 F HN 0.076 nan 8.300 nan 0.000 0.456 160 L N 2.640 123.870 121.223 0.011 0.000 2.322 160 L HA 0.635 4.975 4.340 -0.000 0.000 0.279 160 L C -0.652 176.193 176.870 -0.042 0.000 1.036 160 L CA -0.672 54.172 54.840 0.008 0.000 0.807 160 L CB 1.652 43.732 42.059 0.035 0.000 1.226 160 L HN 0.616 nan 8.230 nan 0.000 0.433 161 L N 3.810 125.015 121.223 -0.030 0.000 2.372 161 L HA 0.611 4.951 4.340 -0.000 0.000 0.274 161 L C -0.895 175.712 176.870 -0.439 0.000 0.988 161 L CA -0.669 54.025 54.840 -0.244 0.000 0.833 161 L CB 1.848 43.895 42.059 -0.019 0.000 1.236 161 L HN 0.192 nan 8.230 nan 0.000 0.410 162 V N 3.062 122.621 119.914 -0.592 0.000 2.435 162 V HA 0.500 4.619 4.120 -0.000 0.000 0.290 162 V C -0.508 175.136 176.094 -0.749 0.000 1.030 162 V CA -0.395 61.499 62.300 -0.676 0.000 0.881 162 V CB 1.668 33.092 31.823 -0.665 0.000 0.983 162 V HN 0.367 nan 8.190 nan 0.000 0.445 163 F N 2.635 122.347 119.950 -0.398 0.000 2.520 163 F HA 0.413 4.940 4.527 -0.000 0.000 0.322 163 F C 0.695 176.349 175.800 -0.242 0.000 1.103 163 F CA -0.990 56.790 58.000 -0.367 0.000 0.926 163 F CB 1.721 40.362 39.000 -0.598 0.000 1.154 163 F HN 0.612 nan 8.300 nan 0.000 0.453 164 N N 0.824 119.518 118.700 -0.010 0.000 2.878 164 N HA 0.106 4.845 4.740 -0.000 0.000 0.282 164 N C -1.305 174.231 175.510 0.043 0.000 1.284 164 N CA -0.032 53.013 53.050 -0.009 0.000 1.053 164 N CB -0.133 38.335 38.487 -0.031 0.000 1.382 164 N HN 0.528 nan 8.380 nan 0.000 0.529 165 D N -1.602 118.840 120.400 0.071 0.000 2.591 165 D HA 0.281 4.921 4.640 -0.000 0.000 0.222 165 D C 1.045 177.393 176.300 0.080 0.000 1.360 165 D CA -0.632 53.420 54.000 0.086 0.000 0.967 165 D CB 0.863 41.744 40.800 0.135 0.000 1.456 165 D HN 0.091 nan 8.370 nan 0.000 0.588 166 G N 2.146 110.954 108.800 0.014 0.000 2.499 166 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.221 166 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.221 166 G C 1.122 175.987 174.900 -0.059 0.000 1.109 166 G CA 1.536 46.599 45.100 -0.062 0.000 0.749 166 G HN 0.591 nan 8.290 nan 0.000 0.568 167 T N -2.821 111.756 114.554 0.038 0.000 3.105 167 T HA 0.350 4.700 4.350 -0.000 0.000 0.253 167 T C 0.531 175.351 174.700 0.200 0.000 1.047 167 T CA -0.832 61.326 62.100 0.097 0.000 0.944 167 T CB -0.263 68.651 68.868 0.078 0.000 1.016 167 T HN 0.074 nan 8.240 nan 0.000 0.544 168 F N 3.177 123.142 119.950 0.025 0.000 2.529 168 F HA 0.469 4.996 4.527 -0.000 0.000 0.365 168 F C 0.298 176.076 175.800 -0.035 0.000 1.102 168 F CA -0.095 57.850 58.000 -0.092 0.000 1.271 168 F CB 0.698 39.510 39.000 -0.313 0.000 1.120 168 F HN 0.175 nan 8.300 nan 0.000 0.579 169 S N 4.217 119.281 115.700 -1.060 0.000 2.571 169 S HA 0.221 4.691 4.470 -0.000 0.000 0.284 169 S C 0.242 174.303 174.600 -0.898 0.000 1.128 169 S CA -0.724 57.051 58.200 -0.708 0.000 0.970 169 S CB 1.516 64.418 63.200 -0.496 0.000 1.039 169 S HN 0.808 nan 8.310 nan 0.000 0.485 170 E N 3.245 123.216 120.200 -0.381 0.000 2.510 170 E HA 0.080 4.430 4.350 -0.000 0.000 0.202 170 E C 1.397 177.901 176.600 -0.160 0.000 1.072 170 E CA 1.242 57.566 56.400 -0.126 0.000 0.883 170 E CB -0.376 29.443 29.700 0.198 0.000 0.818 170 E HN 0.790 nan 8.360 nan 0.000 0.548 171 G N -1.182 107.443 108.800 -0.292 0.000 3.233 171 G HA2 0.277 4.236 3.960 -0.000 0.000 0.234 171 G HA3 0.277 4.236 3.960 -0.000 0.000 0.234 171 G C 0.637 175.360 174.900 -0.296 0.000 1.137 171 G CA 0.246 45.182 45.100 -0.274 0.000 0.763 171 G HN 0.219 nan 8.290 nan 0.000 0.549 172 A N 0.752 123.355 122.820 -0.361 0.000 2.643 172 A HA 0.543 4.863 4.320 -0.000 0.000 0.295 172 A C 0.879 178.275 177.584 -0.314 0.000 1.065 172 A CA 0.226 52.047 52.037 -0.360 0.000 0.986 172 A CB -0.346 18.445 19.000 -0.348 0.000 1.212 172 A HN 0.316 nan 8.150 nan 0.000 0.516 173 T N -2.767 111.654 114.554 -0.222 0.000 2.874 173 T HA 0.666 5.015 4.350 -0.000 0.000 0.281 173 T C -0.369 174.181 174.700 -0.250 0.000 0.994 173 T CA -0.394 61.701 62.100 -0.009 0.000 1.015 173 T CB 0.549 69.551 68.868 0.224 0.000 1.028 173 T HN 0.121 nan 8.240 nan 0.000 0.523 174 F N 1.772 121.412 119.950 -0.516 0.000 2.404 174 F HA 0.425 4.952 4.527 -0.000 0.000 0.358 174 F C 1.155 176.537 175.800 -0.697 0.000 1.120 174 F CA -0.586 56.825 58.000 -0.981 0.000 1.144 174 F CB 1.265 38.892 39.000 -2.289 0.000 1.133 174 F HN 0.708 nan 8.300 nan 0.000 0.495 175 S N 3.563 119.103 115.700 -0.267 0.000 2.462 175 S HA 0.239 4.709 4.470 -0.000 0.000 0.294 175 S C 0.710 175.410 174.600 0.166 0.000 1.144 175 S CA -0.757 57.434 58.200 -0.015 0.000 1.088 175 S CB 1.697 64.889 63.200 -0.013 0.000 1.009 175 S HN 0.566 nan 8.310 nan 0.000 0.484 176 V N 4.807 124.902 119.914 0.301 0.000 2.407 176 V HA -0.126 3.993 4.120 -0.000 0.000 0.248 176 V C 2.563 178.833 176.094 0.293 0.000 1.055 176 V CA 2.914 65.475 62.300 0.435 0.000 1.049 176 V CB -1.172 30.856 31.823 0.342 0.000 0.662 176 V HN 1.113 nan 8.190 nan 0.000 0.455 177 T N -2.657 112.005 114.554 0.181 0.000 2.821 177 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 177 T C 1.691 176.496 174.700 0.175 0.000 1.046 177 T CA 1.627 63.809 62.100 0.136 0.000 1.139 177 T CB -0.547 68.376 68.868 0.091 0.000 0.871 177 T HN 0.515 nan 8.240 nan 0.000 0.454 178 D N 0.037 120.535 120.400 0.163 0.000 2.084 178 D HA -0.096 4.544 4.640 -0.000 0.000 0.194 178 D C 1.632 178.113 176.300 0.301 0.000 0.990 178 D CA 0.876 54.963 54.000 0.144 0.000 0.826 178 D CB -0.475 40.286 40.800 -0.066 0.000 0.971 178 D HN 0.404 nan 8.370 nan 0.000 0.453 179 W N 1.438 122.790 121.300 0.087 0.000 2.298 179 W HA -0.197 4.462 4.660 -0.000 0.000 0.328 179 W C 2.097 178.707 176.519 0.152 0.000 1.259 179 W CA 1.356 58.794 57.345 0.155 0.000 1.251 179 W CB -1.076 28.535 29.460 0.251 0.000 1.161 179 W HN 0.072 nan 8.180 nan 0.000 0.466 180 L N 1.002 122.350 121.223 0.208 0.000 2.265 180 L HA -0.186 4.154 4.340 -0.000 0.000 0.215 180 L C 2.466 179.367 176.870 0.050 0.000 1.117 180 L CA 1.638 56.468 54.840 -0.017 0.000 0.782 180 L CB -1.141 40.868 42.059 -0.083 0.000 0.914 180 L HN 0.106 nan 8.230 nan 0.000 0.441 181 S N -2.453 113.337 115.700 0.149 0.000 2.558 181 S HA -0.053 4.417 4.470 -0.000 0.000 0.217 181 S C 0.865 175.420 174.600 -0.075 0.000 0.975 181 S CA 0.027 58.265 58.200 0.064 0.000 0.912 181 S CB -0.270 62.986 63.200 0.094 0.000 0.776 181 S HN 0.470 nan 8.310 nan 0.000 0.526 182 H N 0.950 120.059 119.070 0.065 0.000 2.505 182 H HA 0.477 5.033 4.556 -0.000 0.000 0.260 182 H C -0.673 174.686 175.328 0.051 0.000 1.168 182 H CA -0.191 55.890 56.048 0.054 0.000 0.945 182 H CB 0.487 30.290 29.762 0.069 0.000 1.800 182 H HN 0.225 nan 8.280 nan 0.000 0.586 183 T N 1.290 115.875 114.554 0.052 0.000 2.893 183 T HA 0.315 4.665 4.350 -0.000 0.000 0.293 183 T C -2.576 172.034 174.700 -0.150 0.000 1.027 183 T CA -1.633 60.440 62.100 -0.044 0.000 0.988 183 T CB 2.067 70.917 68.868 -0.030 0.000 1.043 183 T HN -0.055 nan 8.240 nan 0.000 0.461 184 P HA 0.180 nan 4.420 nan 0.000 0.262 184 P C 0.774 178.003 177.300 -0.117 0.000 1.182 184 P CA 0.049 62.947 63.100 -0.338 0.000 0.761 184 P CB 0.408 31.609 31.700 -0.831 0.000 0.795 185 I N 2.534 123.074 120.570 -0.049 0.000 2.163 185 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 185 I C 2.233 178.403 176.117 0.089 0.000 1.085 185 I CA 1.910 63.220 61.300 0.017 0.000 1.347 185 I CB -0.592 37.417 38.000 0.016 0.000 1.044 185 I HN 0.416 nan 8.210 nan 0.000 0.408 186 A N 0.451 123.352 122.820 0.135 0.000 1.903 186 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 186 A C 1.931 179.680 177.584 0.275 0.000 1.191 186 A CA 1.995 54.153 52.037 0.202 0.000 0.638 186 A CB -1.138 18.010 19.000 0.247 0.000 0.823 186 A HN 0.550 nan 8.150 nan 0.000 0.451 187 W N -0.322 120.963 121.300 -0.026 0.000 2.363 187 W HA -0.049 4.610 4.660 -0.001 0.000 0.296 187 W C 2.331 178.800 176.519 -0.084 0.000 1.212 187 W CA 0.972 58.290 57.345 -0.044 0.000 1.260 187 W CB -1.324 28.114 29.460 -0.036 0.000 1.131 187 W HN 0.146 nan 8.180 nan 0.000 0.530 188 V N 0.611 120.607 119.914 0.136 0.000 2.358 188 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 188 V C 2.016 178.082 176.094 -0.048 0.000 1.047 188 V CA 2.112 64.395 62.300 -0.028 0.000 1.035 188 V CB -0.934 30.851 31.823 -0.063 0.000 0.658 188 V HN 0.198 nan 8.190 nan 0.000 0.452 189 E N 0.237 120.461 120.200 0.040 0.000 2.058 189 E HA -0.305 4.044 4.350 -0.000 0.000 0.194 189 E C 2.236 178.852 176.600 0.028 0.000 0.997 189 E CA 1.626 58.070 56.400 0.073 0.000 0.801 189 E CB -0.190 29.573 29.700 0.105 0.000 0.746 189 E HN 0.710 nan 8.360 nan 0.000 0.450 190 E N 1.032 121.240 120.200 0.012 0.000 2.077 190 E HA -0.209 4.140 4.350 -0.000 0.000 0.193 190 E C 1.948 178.506 176.600 -0.070 0.000 0.989 190 E CA 1.130 57.512 56.400 -0.029 0.000 0.800 190 E CB -0.042 29.621 29.700 -0.063 0.000 0.746 190 E HN 0.175 nan 8.360 nan 0.000 0.452 191 N N -0.548 118.094 118.700 -0.096 0.000 2.166 191 N HA -0.108 4.632 4.740 -0.000 0.000 0.186 191 N C 1.692 177.080 175.510 -0.204 0.000 1.019 191 N CA 0.723 53.685 53.050 -0.147 0.000 0.856 191 N CB 0.124 38.510 38.487 -0.170 0.000 0.993 191 N HN 0.144 nan 8.380 nan 0.000 0.426 192 L N -0.931 120.123 121.223 -0.282 0.000 2.477 192 L HA 0.246 4.586 4.340 -0.000 0.000 0.220 192 L C 0.926 177.674 176.870 -0.203 0.000 1.106 192 L CA 0.206 54.769 54.840 -0.461 0.000 0.851 192 L CB -0.033 41.370 42.059 -1.094 0.000 0.994 192 L HN 0.215 nan 8.230 nan 0.000 0.462 193 G N -0.044 108.738 108.800 -0.030 0.000 2.314 193 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.292 193 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.292 193 G C -0.693 174.429 174.900 0.369 0.000 1.059 193 G CA -0.235 44.940 45.100 0.124 0.000 0.982 193 G HN 0.180 nan 8.290 nan 0.000 0.505 194 W N -0.211 121.078 121.300 -0.018 0.000 2.781 194 W HA 0.726 5.385 4.660 -0.000 0.000 0.345 194 W C 1.009 177.522 176.519 -0.009 0.000 1.085 194 W CA -0.615 56.722 57.345 -0.015 0.000 1.198 194 W CB 1.044 30.494 29.460 -0.017 0.000 1.423 194 W HN 0.559 nan 8.180 nan 0.000 0.532 195 T N -0.947 113.687 114.554 0.133 0.000 2.788 195 T HA 0.444 4.794 4.350 -0.000 0.000 0.287 195 T C 1.119 175.872 174.700 0.089 0.000 1.007 195 T CA 0.214 62.354 62.100 0.067 0.000 1.005 195 T CB 1.122 69.985 68.868 -0.008 0.000 1.012 195 T HN 0.500 nan 8.240 nan 0.000 0.530 196 A N 0.996 123.852 122.820 0.060 0.000 1.933 196 A HA 0.200 4.520 4.320 -0.000 0.000 0.218 196 A C 2.668 180.276 177.584 0.041 0.000 1.175 196 A CA 1.747 53.819 52.037 0.059 0.000 0.628 196 A CB -1.547 17.477 19.000 0.040 0.000 0.814 196 A HN 1.270 nan 8.150 nan 0.000 0.444 197 A N -0.597 122.227 122.820 0.008 0.000 1.972 197 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 197 A C 2.125 179.685 177.584 -0.040 0.000 1.169 197 A CA 1.623 53.650 52.037 -0.018 0.000 0.635 197 A CB -0.458 18.518 19.000 -0.038 0.000 0.810 197 A HN 0.695 nan 8.150 nan 0.000 0.446 198 Q N -0.650 119.108 119.800 -0.071 0.000 1.969 198 Q HA -0.080 4.260 4.340 -0.000 0.000 0.198 198 Q C 2.095 178.148 176.000 0.089 0.000 0.978 198 Q CA 1.451 57.145 55.803 -0.181 0.000 0.830 198 Q CB -0.516 27.902 28.738 -0.532 0.000 0.896 198 Q HN 0.387 nan 8.270 nan 0.000 0.431 199 V N 1.675 121.781 119.914 0.320 0.000 2.439 199 V HA -0.320 3.800 4.120 -0.000 0.000 0.253 199 V C 2.225 178.416 176.094 0.162 0.000 1.074 199 V CA 1.834 64.332 62.300 0.331 0.000 1.076 199 V CB -0.969 30.994 31.823 0.232 0.000 0.664 199 V HN 0.436 nan 8.190 nan 0.000 0.461 200 A N -1.066 121.811 122.820 0.094 0.000 2.121 200 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 200 A C 2.027 179.636 177.584 0.042 0.000 1.154 200 A CA 1.380 53.447 52.037 0.050 0.000 0.679 200 A CB -0.342 18.674 19.000 0.027 0.000 0.795 200 A HN 0.688 nan 8.150 nan 0.000 0.458 201 Q N -0.554 119.278 119.800 0.053 0.000 2.360 201 Q HA 0.283 4.623 4.340 -0.000 0.000 0.202 201 Q C -0.177 175.851 176.000 0.046 0.000 0.915 201 Q CA -0.254 55.569 55.803 0.033 0.000 0.943 201 Q CB 0.071 28.813 28.738 0.006 0.000 1.064 201 Q HN 0.596 nan 8.270 nan 0.000 0.511 202 L N 1.695 122.969 121.223 0.084 0.000 2.453 202 L HA 0.221 4.561 4.340 -0.000 0.000 0.261 202 L C -1.892 174.995 176.870 0.028 0.000 1.179 202 L CA -2.055 52.824 54.840 0.066 0.000 0.813 202 L CB -0.219 41.890 42.059 0.084 0.000 1.110 202 L HN -0.102 nan 8.230 nan 0.000 0.466 203 P HA 0.015 nan 4.420 nan 0.000 0.267 203 P C -0.392 176.928 177.300 0.033 0.000 1.201 203 P CA 0.080 63.192 63.100 0.020 0.000 0.775 203 P CB 0.456 32.174 31.700 0.029 0.000 0.854 204 K N 0.854 121.272 120.400 0.032 0.000 2.358 204 K HA 0.092 4.412 4.320 -0.000 0.000 0.197 204 K C 0.555 177.188 176.600 0.054 0.000 1.025 204 K CA 0.254 56.552 56.287 0.019 0.000 1.104 204 K CB 0.119 32.622 32.500 0.004 0.000 0.855 204 K HN 0.492 nan 8.250 nan 0.000 0.531 205 K N -0.978 119.482 120.400 0.101 0.000 2.680 205 K HA 0.114 4.434 4.320 -0.000 0.000 0.295 205 K C -1.399 175.276 176.600 0.125 0.000 1.052 205 K CA -1.043 55.343 56.287 0.166 0.000 0.863 205 K CB 0.631 33.208 32.500 0.128 0.000 1.549 205 K HN -0.167 nan 8.250 nan 0.000 0.391 206 Q N 0.904 120.761 119.800 0.095 0.000 2.286 206 Q HA 0.032 4.372 4.340 -0.000 0.000 0.290 206 Q C -0.070 175.987 176.000 0.095 0.000 1.049 206 Q CA -0.038 55.805 55.803 0.067 0.000 0.923 206 Q CB 0.983 29.729 28.738 0.013 0.000 1.183 206 Q HN 0.521 nan 8.270 nan 0.000 0.383 207 V N 4.747 124.719 119.914 0.097 0.000 2.685 207 V HA -0.102 4.017 4.120 -0.000 0.000 0.244 207 V C 0.854 177.043 176.094 0.158 0.000 1.054 207 V CA 1.469 63.834 62.300 0.108 0.000 1.076 207 V CB -0.906 30.959 31.823 0.070 0.000 0.725 207 V HN 1.066 nan 8.190 nan 0.000 0.467 208 Y N -0.255 120.014 120.300 -0.053 0.000 2.765 208 Y HA -0.369 4.180 4.550 -0.000 0.000 0.475 208 Y C 0.414 176.224 175.900 -0.150 0.000 1.140 208 Y CA 1.750 59.758 58.100 -0.153 0.000 2.801 208 Y CB -0.807 37.499 38.460 -0.257 0.000 1.100 208 Y HN 0.162 nan 8.280 nan 0.000 0.598 209 I N 0.998 121.518 120.570 -0.084 0.000 2.498 209 I HA 0.465 4.634 4.170 -0.000 0.000 0.290 209 I C -0.603 175.566 176.117 0.086 0.000 1.032 209 I CA -0.311 60.951 61.300 -0.064 0.000 1.073 209 I CB 1.863 39.846 38.000 -0.028 0.000 1.251 209 I HN 0.271 nan 8.210 nan 0.000 0.426 210 S N 3.014 118.761 115.700 0.079 0.000 2.521 210 S HA 0.485 4.955 4.470 -0.000 0.000 0.295 210 S C -0.206 174.476 174.600 0.136 0.000 1.098 210 S CA -0.309 57.966 58.200 0.125 0.000 0.999 210 S CB 1.665 64.933 63.200 0.114 0.000 1.034 210 S HN 0.552 nan 8.310 nan 0.000 0.483 211 S N 3.257 119.052 115.700 0.159 0.000 2.741 211 S HA 0.173 4.643 4.470 -0.000 0.000 0.247 211 S C 0.379 175.062 174.600 0.138 0.000 1.050 211 S CA -0.439 57.839 58.200 0.130 0.000 1.025 211 S CB -0.201 63.064 63.200 0.108 0.000 0.897 211 S HN 0.779 nan 8.310 nan 0.000 0.508 212 Y N 2.785 123.119 120.300 0.055 0.000 2.242 212 Y HA 0.268 4.818 4.550 -0.000 0.000 0.291 212 Y C 1.092 177.017 175.900 0.041 0.000 1.137 212 Y CA 1.663 59.793 58.100 0.049 0.000 1.181 212 Y CB -0.073 38.417 38.460 0.051 0.000 0.989 212 Y HN 0.397 nan 8.280 nan 0.000 0.527 213 G N 0.215 109.135 108.800 0.199 0.000 2.603 213 G HA2 -0.070 3.889 3.960 -0.000 0.000 0.686 213 G HA3 -0.070 3.889 3.960 -0.000 0.000 0.686 213 G C -2.715 172.287 174.900 0.170 0.000 1.286 213 G CA -0.722 44.436 45.100 0.097 0.000 0.871 213 G HN 0.311 nan 8.290 nan 0.000 0.568 214 P HA 0.648 nan 4.420 nan 0.000 0.279 214 P C 0.289 177.619 177.300 0.049 0.000 1.252 214 P CA 0.290 63.419 63.100 0.049 0.000 0.811 214 P CB 1.086 32.810 31.700 0.039 0.000 1.035 215 A N 1.840 124.681 122.820 0.035 0.000 2.483 215 A HA 0.275 4.594 4.320 -0.000 0.000 0.238 215 A C 0.611 178.212 177.584 0.028 0.000 1.070 215 A CA 0.011 52.068 52.037 0.034 0.000 0.770 215 A CB -0.562 18.455 19.000 0.028 0.000 1.008 215 A HN 0.545 nan 8.150 nan 0.000 0.497 216 S N 0.605 116.320 115.700 0.025 0.000 2.576 216 S HA 0.471 4.941 4.470 -0.000 0.000 0.276 216 S C 1.074 175.683 174.600 0.014 0.000 1.339 216 S CA -0.061 58.150 58.200 0.018 0.000 1.039 216 S CB 1.189 64.395 63.200 0.011 0.000 0.902 216 S HN 1.108 nan 8.310 nan 0.000 0.516 217 G N 1.620 110.427 108.800 0.012 0.000 2.494 217 G HA2 0.469 4.429 3.960 -0.000 0.000 0.270 217 G HA3 0.469 4.429 3.960 -0.000 0.000 0.270 217 G C -2.627 172.277 174.900 0.007 0.000 1.423 217 G CA -1.145 43.960 45.100 0.010 0.000 1.055 217 G HN 0.468 nan 8.290 nan 0.000 0.536 218 P HA 0.083 nan 4.420 nan 0.000 0.268 218 P C 0.995 178.296 177.300 0.002 0.000 1.208 218 P CA -0.673 62.429 63.100 0.004 0.000 0.777 218 P CB 0.688 32.390 31.700 0.004 0.000 0.875 219 L N 3.531 124.754 121.223 0.000 0.000 1.997 219 L HA -0.259 4.081 4.340 -0.000 0.000 0.216 219 L C 2.169 179.039 176.870 0.000 0.000 1.074 219 L CA 2.587 57.427 54.840 -0.001 0.000 0.763 219 L CB -1.787 40.271 42.059 -0.002 0.000 0.890 219 L HN 0.492 nan 8.230 nan 0.000 0.434 220 A N -1.908 120.913 122.820 0.001 0.000 1.997 220 A HA -0.243 4.076 4.320 -0.000 0.000 0.221 220 A C 2.410 179.995 177.584 0.002 0.000 1.172 220 A CA 2.207 54.245 52.037 0.002 0.000 0.645 220 A CB -0.903 18.099 19.000 0.002 0.000 0.813 220 A HN 0.564 nan 8.150 nan 0.000 0.454 221 S N -1.060 114.642 115.700 0.002 0.000 2.528 221 S HA 0.310 4.779 4.470 -0.000 0.000 0.219 221 S C 1.237 175.838 174.600 0.002 0.000 0.985 221 S CA 0.353 58.555 58.200 0.003 0.000 0.914 221 S CB -0.120 63.082 63.200 0.004 0.000 0.776 221 S HN 0.713 nan 8.310 nan 0.000 0.526 222 A N 3.113 125.933 122.820 0.000 0.000 3.051 222 A HA 0.325 4.645 4.320 -0.000 0.000 0.257 222 A C 0.817 178.398 177.584 -0.005 0.000 1.785 222 A CA -0.355 51.680 52.037 -0.002 0.000 1.420 222 A CB -1.015 17.982 19.000 -0.006 0.000 1.063 222 A HN 0.379 nan 8.150 nan 0.000 0.630 223 T N -0.956 113.597 114.554 -0.003 0.000 2.909 223 T HA 0.566 4.915 4.350 -0.000 0.000 0.289 223 T C -2.457 172.238 174.700 -0.008 0.000 1.005 223 T CA -1.739 60.358 62.100 -0.005 0.000 1.084 223 T CB 0.615 69.481 68.868 -0.003 0.000 0.975 223 T HN 0.232 nan 8.240 nan 0.000 0.509 224 P HA 0.175 nan 4.420 nan 0.000 0.268 224 P C 0.857 178.150 177.300 -0.012 0.000 1.204 224 P CA -0.265 62.825 63.100 -0.017 0.000 0.768 224 P CB 0.469 32.154 31.700 -0.025 0.000 0.842 225 Q N 0.773 120.567 119.800 -0.009 0.000 2.226 225 Q HA -0.025 4.315 4.340 -0.000 0.000 0.204 225 Q C 0.937 176.934 176.000 -0.006 0.000 0.975 225 Q CA 1.115 56.917 55.803 -0.001 0.000 0.866 225 Q CB -0.055 28.687 28.738 0.007 0.000 0.915 225 Q HN 0.638 nan 8.270 nan 0.000 0.440 226 G N -0.158 108.632 108.800 -0.016 0.000 2.482 226 G HA2 0.227 4.187 3.960 -0.000 0.000 0.317 226 G HA3 0.227 4.187 3.960 -0.000 0.000 0.317 226 G C -0.863 174.022 174.900 -0.024 0.000 1.241 226 G CA -0.644 44.444 45.100 -0.020 0.000 0.967 226 G HN -0.104 nan 8.290 nan 0.000 0.482 227 Q N 0.792 120.579 119.800 -0.022 0.000 2.751 227 Q HA 0.026 4.366 4.340 -0.000 0.000 0.338 227 Q C -0.209 175.771 176.000 -0.032 0.000 1.085 227 Q CA 1.035 56.824 55.803 -0.024 0.000 1.123 227 Q CB 0.126 28.851 28.738 -0.022 0.000 0.975 227 Q HN 0.445 nan 8.270 nan 0.000 0.399 228 T N 1.433 115.968 114.554 -0.032 0.000 2.991 228 T HA 0.499 4.848 4.350 -0.000 0.000 0.303 228 T C -0.579 174.099 174.700 -0.037 0.000 1.015 228 T CA -0.611 61.464 62.100 -0.042 0.000 1.007 228 T CB 1.521 70.359 68.868 -0.050 0.000 1.034 228 T HN 0.567 nan 8.240 nan 0.000 0.446 229 A N 3.850 126.645 122.820 -0.041 0.000 2.511 229 A HA 0.431 4.751 4.320 -0.000 0.000 0.242 229 A C 0.487 178.054 177.584 -0.028 0.000 1.069 229 A CA -0.114 51.904 52.037 -0.032 0.000 0.763 229 A CB 0.157 19.135 19.000 -0.036 0.000 1.001 229 A HN 0.595 nan 8.150 nan 0.000 0.498 230 K N 2.347 122.741 120.400 -0.010 0.000 2.298 230 K HA 0.221 4.541 4.320 -0.000 0.000 0.280 230 K C -0.079 176.532 176.600 0.018 0.000 1.032 230 K CA 0.043 56.333 56.287 0.004 0.000 0.958 230 K CB 0.861 33.372 32.500 0.017 0.000 0.978 230 K HN 0.639 nan 8.250 nan 0.000 0.472 231 I N 2.866 123.454 120.570 0.031 0.000 2.683 231 I HA -0.121 4.049 4.170 -0.000 0.000 0.286 231 I C 1.588 177.774 176.117 0.116 0.000 1.175 231 I CA 0.641 61.986 61.300 0.074 0.000 1.429 231 I CB 0.406 38.464 38.000 0.096 0.000 1.371 231 I HN 0.625 nan 8.210 nan 0.000 0.569 232 E N 4.009 124.286 120.200 0.128 0.000 2.244 232 E HA 0.067 4.417 4.350 -0.000 0.000 0.196 232 E C 0.014 176.712 176.600 0.163 0.000 0.939 232 E CA 0.189 56.663 56.400 0.122 0.000 0.884 232 E CB 0.651 30.402 29.700 0.085 0.000 0.850 232 E HN 0.386 nan 8.360 nan 0.000 0.481 233 V N 4.576 124.619 119.914 0.214 0.000 2.446 233 V HA 0.051 4.171 4.120 -0.000 0.000 0.276 233 V C -2.253 174.039 176.094 0.330 0.000 1.030 233 V CA -1.163 61.276 62.300 0.231 0.000 1.033 233 V CB 0.282 32.242 31.823 0.228 0.000 0.993 233 V HN 0.065 nan 8.190 nan 0.000 0.477 234 P HA 0.078 nan 4.420 nan 0.000 0.264 234 P C -0.160 177.363 177.300 0.372 0.000 1.193 234 P CA 0.318 63.597 63.100 0.299 0.000 0.763 234 P CB 0.334 32.170 31.700 0.228 0.000 0.810 235 H N -1.019 118.277 119.070 0.377 0.000 2.672 235 H HA 0.157 4.713 4.556 -0.000 0.000 0.277 235 H C 0.697 176.360 175.328 0.558 0.000 1.074 235 H CA 0.279 56.617 56.048 0.482 0.000 1.173 235 H CB 0.348 30.341 29.762 0.385 0.000 1.558 235 H HN 0.367 nan 8.280 nan 0.000 0.539 236 T N -2.682 112.118 114.554 0.409 0.000 2.926 236 T HA 0.563 4.912 4.350 -0.000 0.000 0.289 236 T C -0.918 173.648 174.700 -0.223 0.000 1.054 236 T CA -0.849 61.339 62.100 0.147 0.000 1.015 236 T CB 2.794 71.733 68.868 0.118 0.000 1.167 236 T HN 0.311 nan 8.240 nan 0.000 0.526 237 H N -0.039 118.699 119.070 -0.553 0.000 3.094 237 H HA 0.434 4.990 4.556 -0.000 0.000 0.335 237 H C -1.749 173.329 175.328 -0.416 0.000 1.254 237 H CA -0.541 55.091 56.048 -0.694 0.000 1.240 237 H CB 1.411 30.245 29.762 -1.547 0.000 1.936 237 H HN 0.659 nan 8.280 nan 0.000 0.536 238 N N 4.364 122.466 118.700 -0.997 0.000 2.527 238 N HA 0.090 4.830 4.740 -0.000 0.000 0.236 238 N C -0.074 175.148 175.510 -0.479 0.000 0.999 238 N CA -0.334 52.375 53.050 -0.569 0.000 0.935 238 N CB 0.903 39.151 38.487 -0.399 0.000 1.132 238 N HN 0.602 nan 8.380 nan 0.000 0.511 239 L N 5.137 126.281 121.223 -0.132 0.000 2.121 239 L HA 0.204 4.544 4.340 -0.000 0.000 0.200 239 L C 1.749 178.668 176.870 0.082 0.000 1.077 239 L CA 1.163 56.055 54.840 0.087 0.000 0.766 239 L CB -1.068 41.137 42.059 0.244 0.000 0.931 239 L HN 0.542 nan 8.230 nan 0.000 0.452 240 L N 0.505 121.797 121.223 0.116 0.000 2.043 240 L HA -0.070 4.269 4.340 -0.000 0.000 0.212 240 L C 1.984 178.876 176.870 0.037 0.000 1.075 240 L CA 2.179 57.085 54.840 0.110 0.000 0.752 240 L CB -1.350 40.788 42.059 0.131 0.000 0.891 240 L HN 0.378 nan 8.230 nan 0.000 0.432 241 G N -0.991 107.801 108.800 -0.013 0.000 3.210 241 G HA2 0.024 3.984 3.960 -0.000 0.000 0.220 241 G HA3 0.024 3.984 3.960 -0.000 0.000 0.220 241 G C 0.495 175.376 174.900 -0.031 0.000 1.200 241 G CA -0.334 44.748 45.100 -0.030 0.000 0.834 241 G HN 0.455 nan 8.290 nan 0.000 0.524 242 Q N 0.154 119.948 119.800 -0.011 0.000 2.368 242 Q HA 0.211 4.551 4.340 -0.000 0.000 0.237 242 Q C -0.025 175.982 176.000 0.013 0.000 0.987 242 Q CA -0.446 55.361 55.803 0.007 0.000 0.896 242 Q CB 0.711 29.476 28.738 0.046 0.000 1.241 242 Q HN 0.151 nan 8.270 nan 0.000 0.485 243 Q N 1.540 121.348 119.800 0.013 0.000 2.352 243 Q HA 0.210 4.550 4.340 -0.000 0.000 0.260 243 Q C -2.191 173.823 176.000 0.022 0.000 0.976 243 Q CA -1.753 54.058 55.803 0.013 0.000 0.881 243 Q CB -0.234 28.511 28.738 0.011 0.000 1.235 243 Q HN 0.328 nan 8.270 nan 0.000 0.419 244 P HA -0.079 nan 4.420 nan 0.000 0.264 244 P C 0.602 177.923 177.300 0.036 0.000 1.183 244 P CA -0.080 63.043 63.100 0.038 0.000 0.763 244 P CB 0.471 32.196 31.700 0.042 0.000 0.807 245 L N 4.704 125.947 121.223 0.033 0.000 2.156 245 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 245 L C 0.242 177.130 176.870 0.030 0.000 1.095 245 L CA 1.699 56.548 54.840 0.015 0.000 0.770 245 L CB 0.252 42.298 42.059 -0.021 0.000 0.914 245 L HN 0.121 nan 8.230 nan 0.000 0.439 246 V N -1.270 118.687 119.914 0.072 0.000 2.851 246 V HA 0.514 4.633 4.120 -0.000 0.000 0.307 246 V C -0.724 175.487 176.094 0.195 0.000 1.129 246 V CA -0.595 61.774 62.300 0.115 0.000 0.932 246 V CB 1.767 33.648 31.823 0.096 0.000 1.024 246 V HN 0.018 nan 8.190 nan 0.000 0.426 247 S N 3.587 119.385 115.700 0.162 0.000 2.677 247 S HA 0.813 5.283 4.470 -0.000 0.000 0.283 247 S C -1.660 173.009 174.600 0.115 0.000 1.159 247 S CA -0.333 57.938 58.200 0.117 0.000 1.001 247 S CB 1.295 64.528 63.200 0.053 0.000 1.032 247 S HN 0.633 nan 8.310 nan 0.000 0.487 248 L N 4.179 125.459 121.223 0.096 0.000 2.491 248 L HA 0.654 4.994 4.340 -0.000 0.000 0.267 248 L C 0.541 177.417 176.870 0.011 0.000 0.971 248 L CA 0.577 55.469 54.840 0.086 0.000 0.857 248 L CB 1.107 43.279 42.059 0.188 0.000 1.226 248 L HN 0.880 nan 8.230 nan 0.000 0.408 249 G N 3.452 112.258 108.800 0.010 0.000 2.424 249 G HA2 0.073 4.033 3.960 -0.000 0.000 0.294 249 G HA3 0.073 4.033 3.960 -0.000 0.000 0.294 249 G C 1.072 175.955 174.900 -0.028 0.000 0.939 249 G CA 1.082 46.178 45.100 -0.006 0.000 1.143 249 G HN 2.016 nan 8.290 nan 0.000 0.507 250 G N -0.844 107.935 108.800 -0.034 0.000 2.258 250 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.233 250 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.233 250 G C 0.379 175.256 174.900 -0.038 0.000 1.006 250 G CA 0.268 45.353 45.100 -0.026 0.000 0.620 250 G HN 0.999 nan 8.290 nan 0.000 0.511 251 N N 2.117 120.704 118.700 -0.188 0.000 2.497 251 N HA 0.419 5.159 4.740 -0.000 0.000 0.271 251 N C -0.336 174.905 175.510 -0.448 0.000 1.142 251 N CA 0.591 53.327 53.050 -0.524 0.000 0.965 251 N CB 0.826 38.662 38.487 -1.085 0.000 1.077 251 N HN 0.623 nan 8.380 nan 0.000 0.462 252 E N 1.239 121.263 120.200 -0.294 0.000 2.308 252 E HA 0.392 4.742 4.350 -0.000 0.000 0.275 252 E C -1.142 175.605 176.600 0.246 0.000 0.890 252 E CA -0.777 55.654 56.400 0.050 0.000 0.754 252 E CB 2.665 32.374 29.700 0.015 0.000 1.207 252 E HN 0.253 nan 8.360 nan 0.000 0.426 253 L N 2.219 123.616 121.223 0.290 0.000 2.406 253 L HA 0.467 4.806 4.340 -0.000 0.000 0.272 253 L C -1.311 175.618 176.870 0.098 0.000 0.980 253 L CA -0.252 54.720 54.840 0.220 0.000 0.831 253 L CB 1.270 43.442 42.059 0.189 0.000 1.253 253 L HN 0.428 nan 8.230 nan 0.000 0.406 254 R N 4.562 125.108 120.500 0.076 0.000 2.393 254 R HA 0.742 5.081 4.340 -0.000 0.000 0.310 254 R C -1.514 174.801 176.300 0.026 0.000 0.968 254 R CA -0.861 55.269 56.100 0.051 0.000 0.867 254 R CB 1.954 32.296 30.300 0.070 0.000 1.124 254 R HN 0.526 nan 8.270 nan 0.000 0.450 255 L N 1.720 122.939 121.223 -0.006 0.000 2.385 255 L HA 0.652 4.992 4.340 -0.000 0.000 0.273 255 L C -1.276 175.602 176.870 0.012 0.000 0.990 255 L CA -0.332 54.471 54.840 -0.062 0.000 0.821 255 L CB 2.091 44.006 42.059 -0.240 0.000 1.279 255 L HN 0.784 nan 8.230 nan 0.000 0.412 256 A N 3.539 126.403 122.820 0.073 0.000 2.431 256 A HA 0.725 5.044 4.320 -0.000 0.000 0.318 256 A C -0.258 177.381 177.584 0.092 0.000 1.330 256 A CA 0.036 52.141 52.037 0.113 0.000 0.804 256 A CB 0.409 19.554 19.000 0.242 0.000 1.135 256 A HN 0.828 nan 8.150 nan 0.000 0.483 257 S N 1.307 117.017 115.700 0.017 0.000 2.748 257 S HA 0.717 5.186 4.470 -0.000 0.000 0.299 257 S C 1.393 175.972 174.600 -0.035 0.000 1.119 257 S CA 0.044 58.239 58.200 -0.009 0.000 0.997 257 S CB 1.079 64.269 63.200 -0.016 0.000 1.223 257 S HN 1.537 nan 8.310 nan 0.000 0.541 258 A N 0.567 123.343 122.820 -0.073 0.000 2.024 258 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 258 A C 2.059 179.614 177.584 -0.048 0.000 1.164 258 A CA 1.809 53.790 52.037 -0.093 0.000 0.643 258 A CB -1.009 17.945 19.000 -0.077 0.000 0.806 258 A HN 0.840 nan 8.150 nan 0.000 0.451 259 K N -0.245 120.138 120.400 -0.028 0.000 2.097 259 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 259 K C 1.669 178.266 176.600 -0.005 0.000 1.049 259 K CA 1.538 57.818 56.287 -0.012 0.000 0.933 259 K CB 0.041 32.537 32.500 -0.007 0.000 0.717 259 K HN 0.718 nan 8.250 nan 0.000 0.442 260 E N -0.939 119.253 120.200 -0.015 0.000 2.473 260 E HA -0.018 4.332 4.350 -0.000 0.000 0.204 260 E C -0.228 176.309 176.600 -0.105 0.000 0.994 260 E CA 0.056 56.439 56.400 -0.027 0.000 0.945 260 E CB 0.445 30.147 29.700 0.003 0.000 0.990 260 E HN 0.101 nan 8.360 nan 0.000 0.493 261 F N 3.386 123.149 119.950 -0.311 0.000 2.794 261 F HA 0.379 4.906 4.527 -0.000 0.000 0.353 261 F C -2.307 173.356 175.800 -0.229 0.000 1.371 261 F CA -3.234 54.541 58.000 -0.376 0.000 1.173 261 F CB 1.455 40.143 39.000 -0.520 0.000 1.693 261 F HN -0.274 nan 8.300 nan 0.000 0.606 262 P HA -0.061 nan 4.420 nan 0.000 0.221 262 P C 1.591 178.717 177.300 -0.291 0.000 1.145 262 P CA 1.448 64.466 63.100 -0.136 0.000 0.795 262 P CB 0.174 31.849 31.700 -0.041 0.000 0.775 263 G N -0.069 108.431 108.800 -0.500 0.000 2.421 263 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 263 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 263 G C 1.104 175.410 174.900 -0.990 0.000 1.143 263 G CA 0.251 44.919 45.100 -0.720 0.000 0.784 263 G HN 0.373 nan 8.290 nan 0.000 0.541 264 S N 1.033 115.808 115.700 -1.540 0.000 4.183 264 S HA 0.212 4.681 4.470 -0.000 0.000 0.195 264 S C 1.355 175.307 174.600 -1.080 0.000 1.421 264 S CA -0.545 56.592 58.200 -1.773 0.000 0.920 264 S CB -0.945 61.471 63.200 -1.306 0.000 1.525 264 S HN 0.389 nan 8.310 nan 0.000 0.447 265 F N 2.728 122.176 119.950 -0.837 0.000 2.293 265 F HA 0.093 4.620 4.527 -0.000 0.000 0.300 265 F C 1.249 176.880 175.800 -0.282 0.000 1.086 265 F CA 0.896 58.646 58.000 -0.416 0.000 1.375 265 F CB -0.342 38.505 39.000 -0.256 0.000 1.045 265 F HN 0.548 nan 8.300 nan 0.000 0.516 266 N N -0.004 118.062 118.700 -1.057 0.000 2.299 266 N HA 0.237 4.977 4.740 -0.000 0.000 0.246 266 N C -0.720 174.548 175.510 -0.404 0.000 1.254 266 N CA -0.145 52.537 53.050 -0.614 0.000 0.879 266 N CB -0.034 38.047 38.487 -0.678 0.000 1.214 266 N HN 0.374 nan 8.380 nan 0.000 0.510 267 M N -0.007 119.347 119.600 -0.410 0.000 2.433 267 M HA 0.387 4.867 4.480 -0.000 0.000 0.290 267 M C -1.268 174.877 176.300 -0.259 0.000 1.173 267 M CA -0.252 54.875 55.300 -0.288 0.000 0.905 267 M CB 2.766 35.232 32.600 -0.224 0.000 1.692 267 M HN -0.160 nan 8.290 nan 0.000 0.462 268 T N 0.919 115.341 114.554 -0.221 0.000 2.908 268 T HA 0.847 5.196 4.350 -0.000 0.000 0.290 268 T C -0.383 174.162 174.700 -0.258 0.000 1.034 268 T CA -0.732 61.309 62.100 -0.097 0.000 1.010 268 T CB 2.046 70.948 68.868 0.055 0.000 1.068 268 T HN 0.835 nan 8.240 nan 0.000 0.481 269 G N 0.087 108.819 108.800 -0.113 0.000 2.659 269 G HA2 0.770 4.729 3.960 -0.000 0.000 0.296 269 G HA3 0.770 4.729 3.960 -0.000 0.000 0.296 269 G C -1.716 173.238 174.900 0.090 0.000 1.369 269 G CA -0.708 44.265 45.100 -0.211 0.000 0.937 269 G HN 0.956 nan 8.290 nan 0.000 0.485 270 A N 0.519 123.368 122.820 0.049 0.000 2.572 270 A HA 0.817 5.136 4.320 -0.000 0.000 0.295 270 A C -1.264 176.343 177.584 0.038 0.000 1.072 270 A CA -0.592 51.483 52.037 0.064 0.000 0.691 270 A CB 1.386 20.417 19.000 0.052 0.000 1.291 270 A HN 0.742 nan 8.150 nan 0.000 0.404 271 L N 1.855 123.106 121.223 0.047 0.000 2.313 271 L HA 0.571 4.911 4.340 -0.000 0.000 0.283 271 L C -0.886 176.045 176.870 0.102 0.000 1.013 271 L CA -0.327 54.536 54.840 0.039 0.000 0.816 271 L CB 1.471 43.550 42.059 0.034 0.000 1.236 271 L HN 0.575 nan 8.230 nan 0.000 0.419 272 I N 2.047 122.690 120.570 0.122 0.000 2.404 272 I HA 0.278 4.447 4.170 -0.000 0.000 0.293 272 I C -0.608 175.602 176.117 0.155 0.000 0.992 272 I CA -0.587 60.825 61.300 0.186 0.000 1.149 272 I CB 1.739 39.869 38.000 0.218 0.000 1.315 272 I HN 0.562 nan 8.210 nan 0.000 0.446 273 H N 6.731 125.814 119.070 0.022 0.000 2.511 273 H HA 0.608 5.164 4.556 -0.000 0.000 0.328 273 H C -1.572 173.674 175.328 -0.137 0.000 1.044 273 H CA -0.408 55.618 56.048 -0.037 0.000 1.212 273 H CB 1.155 30.894 29.762 -0.040 0.000 1.428 273 H HN 0.485 nan 8.280 nan 0.000 0.483 274 L N 4.985 125.950 121.223 -0.430 0.000 2.325 274 L HA 0.288 4.628 4.340 -0.000 0.000 0.281 274 L C -0.201 176.465 176.870 -0.340 0.000 1.004 274 L CA -0.992 53.658 54.840 -0.317 0.000 0.823 274 L CB 1.467 43.443 42.059 -0.139 0.000 1.236 274 L HN 0.664 nan 8.230 nan 0.000 0.415 275 E N 3.894 123.962 120.200 -0.220 0.000 2.408 275 E HA 0.158 4.508 4.350 -0.000 0.000 0.259 275 E C -2.256 174.292 176.600 -0.087 0.000 1.110 275 E CA -1.870 54.458 56.400 -0.120 0.000 0.929 275 E CB 0.203 29.868 29.700 -0.058 0.000 0.971 275 E HN 0.242 nan 8.360 nan 0.000 0.438 276 P HA 0.014 nan 4.420 nan 0.000 0.264 276 P C 0.672 177.960 177.300 -0.019 0.000 1.193 276 P CA 1.151 64.231 63.100 -0.034 0.000 0.763 276 P CB 0.383 32.070 31.700 -0.022 0.000 0.810 277 G N 1.719 110.515 108.800 -0.007 0.000 2.241 277 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.244 277 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.244 277 G C 0.440 175.352 174.900 0.019 0.000 0.998 277 G CA 0.060 45.165 45.100 0.008 0.000 0.621 277 G HN 0.851 nan 8.290 nan 0.000 0.519 278 A N 0.377 123.202 122.820 0.009 0.000 2.271 278 A HA 0.948 5.268 4.320 -0.000 0.000 0.288 278 A C 0.305 177.930 177.584 0.069 0.000 1.094 278 A CA 0.549 52.604 52.037 0.029 0.000 0.828 278 A CB 0.459 19.446 19.000 -0.021 0.000 1.091 278 A HN 1.599 nan 8.150 nan 0.000 0.493 279 M N -0.221 119.458 119.600 0.132 0.000 2.575 279 M HA 0.583 5.063 4.480 -0.000 0.000 0.284 279 M C -0.533 175.947 176.300 0.301 0.000 1.253 279 M CA -0.771 54.631 55.300 0.170 0.000 0.861 279 M CB 1.732 34.401 32.600 0.115 0.000 1.733 279 M HN 0.476 nan 8.290 nan 0.000 0.462 280 R N 2.189 122.856 120.500 0.278 0.000 2.347 280 R HA 0.267 4.607 4.340 -0.000 0.000 0.304 280 R C -0.395 175.962 176.300 0.094 0.000 1.072 280 R CA 0.034 56.233 56.100 0.166 0.000 0.980 280 R CB 0.912 31.310 30.300 0.162 0.000 0.986 280 R HN 0.813 nan 8.270 nan 0.000 0.448 281 Q N 1.905 121.715 119.800 0.018 0.000 2.584 281 Q HA 0.028 4.367 4.340 -0.000 0.000 0.235 281 Q C 0.078 176.133 176.000 0.092 0.000 1.079 281 Q CA 0.009 55.835 55.803 0.040 0.000 0.977 281 Q CB 0.488 29.223 28.738 -0.005 0.000 1.293 281 Q HN 0.421 nan 8.270 nan 0.000 0.553 282 L N 2.961 124.219 121.223 0.059 0.000 2.499 282 L HA 0.032 4.372 4.340 -0.000 0.000 0.273 282 L C 0.365 177.276 176.870 0.068 0.000 1.195 282 L CA 0.395 55.253 54.840 0.030 0.000 0.882 282 L CB -0.265 41.828 42.059 0.057 0.000 1.133 282 L HN 0.659 nan 8.230 nan 0.000 0.483 283 H N 1.574 120.546 119.070 -0.163 0.000 2.948 283 H HA 0.444 5.000 4.556 -0.000 0.000 0.315 283 H C -1.761 173.503 175.328 -0.106 0.000 1.360 283 H CA -1.189 54.723 56.048 -0.227 0.000 1.125 283 H CB 1.081 30.590 29.762 -0.422 0.000 1.844 283 H HN 0.629 nan 8.280 nan 0.000 0.529 284 W N 0.434 121.618 121.300 -0.192 0.000 3.031 284 W HA 0.594 5.253 4.660 -0.000 0.000 0.337 284 W C -1.742 174.639 176.519 -0.230 0.000 1.187 284 W CA -1.018 56.243 57.345 -0.140 0.000 1.166 284 W CB 1.062 30.504 29.460 -0.031 0.000 1.437 284 W HN 0.507 nan 8.180 nan 0.000 0.551 285 H N 1.797 121.032 119.070 0.274 0.000 2.541 285 H HA 0.219 4.775 4.556 -0.000 0.000 0.316 285 H C -1.902 173.504 175.328 0.130 0.000 1.043 285 H CA -1.790 54.266 56.048 0.014 0.000 1.232 285 H CB 1.714 31.479 29.762 0.004 0.000 1.406 285 H HN 0.149 nan 8.280 nan 0.000 0.469 286 P HA -0.146 nan 4.420 nan 0.000 0.218 286 P C 1.044 178.398 177.300 0.091 0.000 1.149 286 P CA 1.272 64.481 63.100 0.181 0.000 0.817 286 P CB 0.437 32.174 31.700 0.062 0.000 0.785 287 N N -1.831 116.886 118.700 0.028 0.000 2.170 287 N HA 0.302 5.041 4.740 -0.000 0.000 0.222 287 N C -0.211 175.291 175.510 -0.014 0.000 1.218 287 N CA -0.282 52.764 53.050 -0.008 0.000 0.889 287 N CB 0.665 39.122 38.487 -0.051 0.000 1.083 287 N HN -0.059 nan 8.380 nan 0.000 0.520 288 A N -0.212 122.614 122.820 0.009 0.000 2.594 288 A HA 0.526 4.846 4.320 -0.000 0.000 0.295 288 A C -1.525 176.068 177.584 0.015 0.000 1.071 288 A CA -0.750 51.292 52.037 0.009 0.000 0.685 288 A CB 1.312 20.314 19.000 0.002 0.000 1.285 288 A HN 0.097 nan 8.150 nan 0.000 0.405 289 D N 0.701 121.070 120.400 -0.051 0.000 2.329 289 D HA 0.367 5.007 4.640 -0.000 0.000 0.246 289 D C -0.394 175.765 176.300 -0.235 0.000 1.111 289 D CA 0.256 54.122 54.000 -0.224 0.000 0.941 289 D CB 1.520 42.154 40.800 -0.278 0.000 1.169 289 D HN 0.613 nan 8.370 nan 0.000 0.441 290 E N 0.659 120.589 120.200 -0.450 0.000 2.218 290 E HA 0.285 4.634 4.350 -0.000 0.000 0.263 290 E C -1.662 174.706 176.600 -0.387 0.000 0.879 290 E CA -0.844 55.258 56.400 -0.497 0.000 0.762 290 E CB 1.304 30.803 29.700 -0.335 0.000 1.166 290 E HN 0.426 nan 8.360 nan 0.000 0.415 291 W N 4.515 125.559 121.300 -0.428 0.000 2.520 291 W HA 0.338 4.998 4.660 -0.000 0.000 0.323 291 W C -0.993 175.440 176.519 -0.144 0.000 1.062 291 W CA -0.278 56.985 57.345 -0.138 0.000 1.215 291 W CB 1.277 30.721 29.460 -0.027 0.000 1.340 291 W HN 0.483 nan 8.180 nan 0.000 0.516 292 Q N 4.944 124.459 119.800 -0.475 0.000 2.394 292 Q HA 0.429 4.769 4.340 -0.000 0.000 0.273 292 Q C -1.925 173.714 176.000 -0.601 0.000 1.089 292 Q CA -1.182 54.394 55.803 -0.378 0.000 0.812 292 Q CB 3.351 31.969 28.738 -0.200 0.000 1.353 292 Q HN 0.609 nan 8.270 nan 0.000 0.438 293 Y N 0.198 120.279 120.300 -0.365 0.000 2.433 293 Y HA 0.405 4.955 4.550 -0.000 0.000 0.337 293 Y C -1.392 174.485 175.900 -0.039 0.000 1.026 293 Y CA -1.064 56.906 58.100 -0.218 0.000 1.037 293 Y CB 1.465 39.903 38.460 -0.036 0.000 1.245 293 Y HN 0.451 nan 8.280 nan 0.000 0.443 294 V N 8.380 128.153 119.914 -0.234 0.000 2.372 294 V HA 0.043 4.163 4.120 -0.000 0.000 0.261 294 V C 0.923 177.035 176.094 0.030 0.000 1.055 294 V CA 0.234 62.478 62.300 -0.093 0.000 0.930 294 V CB 0.462 32.188 31.823 -0.161 0.000 1.031 294 V HN 0.929 nan 8.190 nan 0.000 0.479 295 L N 3.609 124.963 121.223 0.218 0.000 2.109 295 L HA 0.062 4.402 4.340 -0.000 0.000 0.207 295 L C 0.463 177.441 176.870 0.181 0.000 1.086 295 L CA 1.140 56.161 54.840 0.302 0.000 0.760 295 L CB -0.205 42.017 42.059 0.271 0.000 0.910 295 L HN 0.904 nan 8.230 nan 0.000 0.437 296 D N -3.511 116.949 120.400 0.100 0.000 2.694 296 D HA 0.542 5.182 4.640 -0.000 0.000 0.260 296 D C -0.202 176.110 176.300 0.020 0.000 1.250 296 D CA -0.078 53.957 54.000 0.059 0.000 0.763 296 D CB 0.871 41.716 40.800 0.076 0.000 1.311 296 D HN 0.127 nan 8.370 nan 0.000 0.420 297 G N -0.296 108.507 108.800 0.004 0.000 2.660 297 G HA2 0.063 4.023 3.960 -0.000 0.000 0.215 297 G HA3 0.063 4.023 3.960 -0.000 0.000 0.215 297 G C -1.214 173.674 174.900 -0.020 0.000 1.345 297 G CA -0.552 44.540 45.100 -0.014 0.000 0.877 297 G HN 0.746 nan 8.290 nan 0.000 0.549 298 E N -0.411 119.777 120.200 -0.020 0.000 2.248 298 E HA 0.552 4.902 4.350 -0.000 0.000 0.267 298 E C -0.142 176.454 176.600 -0.006 0.000 0.877 298 E CA -0.692 55.699 56.400 -0.015 0.000 0.759 298 E CB 1.987 31.685 29.700 -0.004 0.000 1.182 298 E HN 0.599 nan 8.360 nan 0.000 0.418 299 M N 2.824 122.421 119.600 -0.006 0.000 2.321 299 M HA 0.317 4.797 4.480 -0.000 0.000 0.315 299 M C -1.664 174.646 176.300 0.016 0.000 1.052 299 M CA -0.673 54.629 55.300 0.004 0.000 0.936 299 M CB 1.407 34.002 32.600 -0.008 0.000 1.639 299 M HN 0.319 nan 8.290 nan 0.000 0.433 300 D N 4.881 125.301 120.400 0.034 0.000 2.198 300 D HA 0.512 5.152 4.640 -0.000 0.000 0.245 300 D C -1.090 175.189 176.300 -0.036 0.000 1.079 300 D CA -0.112 53.899 54.000 0.018 0.000 0.854 300 D CB 1.943 42.801 40.800 0.097 0.000 1.148 300 D HN 0.539 nan 8.370 nan 0.000 0.456 301 L N 1.386 122.552 121.223 -0.094 0.000 2.386 301 L HA 0.647 4.987 4.340 -0.000 0.000 0.271 301 L C -0.672 176.100 176.870 -0.164 0.000 0.993 301 L CA -0.135 54.661 54.840 -0.075 0.000 0.819 301 L CB 2.402 44.450 42.059 -0.019 0.000 1.294 301 L HN 0.252 nan 8.230 nan 0.000 0.414 302 T N 3.539 118.018 114.554 -0.125 0.000 2.893 302 T HA 0.841 5.190 4.350 -0.000 0.000 0.291 302 T C -1.618 173.066 174.700 -0.027 0.000 1.028 302 T CA -0.381 61.629 62.100 -0.151 0.000 0.995 302 T CB 1.304 70.053 68.868 -0.197 0.000 1.051 302 T HN 0.497 nan 8.240 nan 0.000 0.470 303 V N 4.606 124.524 119.914 0.007 0.000 2.777 303 V HA 0.541 4.660 4.120 -0.000 0.000 0.306 303 V C -1.318 174.836 176.094 0.099 0.000 1.112 303 V CA -0.993 61.283 62.300 -0.041 0.000 0.917 303 V CB 1.763 33.303 31.823 -0.471 0.000 1.018 303 V HN 0.872 nan 8.190 nan 0.000 0.426 304 F N 5.019 124.928 119.950 -0.069 0.000 2.375 304 F HA 0.852 5.379 4.527 -0.000 0.000 0.361 304 F C 0.392 175.992 175.800 -0.334 0.000 1.117 304 F CA -0.523 57.419 58.000 -0.096 0.000 1.037 304 F CB 0.901 39.880 39.000 -0.036 0.000 1.192 304 F HN 0.673 nan 8.300 nan 0.000 0.452 305 A N 3.790 126.104 122.820 -0.844 0.000 2.275 305 A HA 0.672 4.992 4.320 -0.000 0.000 0.282 305 A C 0.316 177.077 177.584 -1.373 0.000 1.275 305 A CA 0.110 51.366 52.037 -1.301 0.000 0.842 305 A CB -0.172 18.408 19.000 -0.700 0.000 1.280 305 A HN 0.852 nan 8.150 nan 0.000 0.508 306 S N -1.246 113.888 115.700 -0.943 0.000 2.481 306 S HA 0.407 4.877 4.470 -0.000 0.000 0.267 306 S C -0.083 174.262 174.600 -0.425 0.000 1.174 306 S CA 0.196 57.928 58.200 -0.780 0.000 1.027 306 S CB -0.366 62.578 63.200 -0.427 0.000 1.117 306 S HN 0.761 nan 8.310 nan 0.000 0.495 307 E N 0.007 120.097 120.200 -0.183 0.000 2.360 307 E HA -0.156 4.193 4.350 -0.000 0.000 0.238 307 E C 0.650 177.235 176.600 -0.026 0.000 1.186 307 E CA 0.293 56.646 56.400 -0.079 0.000 0.719 307 E CB -2.499 27.145 29.700 -0.094 0.000 1.236 307 E HN 1.371 nan 8.360 nan 0.000 0.386 308 G N 0.491 109.331 108.800 0.067 0.000 2.283 308 G HA2 -0.380 3.579 3.960 -0.000 0.000 0.280 308 G HA3 -0.380 3.579 3.960 -0.000 0.000 0.280 308 G C -0.020 174.911 174.900 0.050 0.000 1.029 308 G CA 1.206 46.362 45.100 0.093 0.000 0.840 308 G HN 0.322 nan 8.290 nan 0.000 0.505 309 K N -0.341 120.077 120.400 0.030 0.000 2.259 309 K HA 0.838 5.158 4.320 -0.000 0.000 0.252 309 K C 0.017 176.688 176.600 0.118 0.000 0.936 309 K CA -0.049 56.257 56.287 0.033 0.000 0.810 309 K CB 2.300 34.793 32.500 -0.011 0.000 1.143 309 K HN 0.838 nan 8.250 nan 0.000 0.427 310 A N 1.229 124.168 122.820 0.199 0.000 2.608 310 A HA 0.678 4.998 4.320 -0.000 0.000 0.292 310 A C -1.325 176.565 177.584 0.511 0.000 1.066 310 A CA -0.724 51.527 52.037 0.356 0.000 0.676 310 A CB 1.654 20.918 19.000 0.441 0.000 1.277 310 A HN 0.519 nan 8.150 nan 0.000 0.413 311 S N -1.096 114.907 115.700 0.505 0.000 2.667 311 S HA 0.887 5.356 4.470 -0.000 0.000 0.292 311 S C -1.171 173.433 174.600 0.007 0.000 1.126 311 S CA -0.444 58.003 58.200 0.412 0.000 0.881 311 S CB 1.855 65.309 63.200 0.423 0.000 1.132 311 S HN 2.009 nan 8.310 nan 0.000 0.492 312 V N 1.476 121.170 119.914 -0.367 0.000 3.000 312 V HA 0.894 5.014 4.120 -0.000 0.000 0.300 312 V C -1.604 174.067 176.094 -0.705 0.000 1.251 312 V CA 0.172 61.970 62.300 -0.836 0.000 0.972 312 V CB 1.693 32.434 31.823 -1.803 0.000 1.065 312 V HN 1.375 nan 8.190 nan 0.000 0.431 313 S N 5.580 120.946 115.700 -0.557 0.000 2.645 313 S HA 0.635 5.105 4.470 -0.000 0.000 0.268 313 S C -1.480 173.055 174.600 -0.107 0.000 1.110 313 S CA -1.172 56.867 58.200 -0.270 0.000 0.823 313 S CB 1.541 64.684 63.200 -0.095 0.000 1.091 313 S HN 0.958 nan 8.310 nan 0.000 0.466 314 R N -0.069 120.441 120.500 0.018 0.000 2.604 314 R HA 0.767 5.107 4.340 -0.000 0.000 0.287 314 R C -1.415 174.884 176.300 -0.002 0.000 0.970 314 R CA -0.845 55.281 56.100 0.043 0.000 0.946 314 R CB 1.037 31.401 30.300 0.106 0.000 1.127 314 R HN 0.510 nan 8.270 nan 0.000 0.473 315 L N 2.265 123.477 121.223 -0.018 0.000 2.362 315 L HA 0.305 4.645 4.340 -0.000 0.000 0.275 315 L C -0.135 176.700 176.870 -0.059 0.000 0.998 315 L CA -0.779 54.029 54.840 -0.054 0.000 0.820 315 L CB 1.670 43.684 42.059 -0.076 0.000 1.270 315 L HN 0.328 nan 8.230 nan 0.000 0.415 316 Q N 1.248 121.003 119.800 -0.076 0.000 2.249 316 Q HA 0.222 4.562 4.340 -0.000 0.000 0.226 316 Q C -0.283 175.653 176.000 -0.107 0.000 0.983 316 Q CA -0.625 55.133 55.803 -0.075 0.000 0.930 316 Q CB 0.763 29.458 28.738 -0.071 0.000 1.193 316 Q HN 0.592 nan 8.270 nan 0.000 0.508 317 Q N -0.201 119.548 119.800 -0.084 0.000 2.269 317 Q HA 0.136 4.475 4.340 -0.000 0.000 0.300 317 Q C 0.405 176.307 176.000 -0.163 0.000 1.070 317 Q CA 1.216 56.963 55.803 -0.094 0.000 0.957 317 Q CB -0.237 28.482 28.738 -0.031 0.000 1.131 317 Q HN 0.850 nan 8.270 nan 0.000 0.377 318 G N 3.292 111.892 108.800 -0.333 0.000 2.176 318 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.253 318 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.253 318 G C -0.329 174.302 174.900 -0.447 0.000 0.979 318 G CA 0.084 44.882 45.100 -0.503 0.000 0.641 318 G HN 0.707 nan 8.290 nan 0.000 0.530 319 D N -0.517 119.671 120.400 -0.353 0.000 2.383 319 D HA 0.621 5.260 4.640 -0.000 0.000 0.248 319 D C 0.343 176.479 176.300 -0.273 0.000 1.170 319 D CA -0.087 53.793 54.000 -0.200 0.000 0.977 319 D CB 1.835 42.540 40.800 -0.158 0.000 1.120 319 D HN 0.127 nan 8.370 nan 0.000 0.481 320 V N -0.090 119.704 119.914 -0.200 0.000 2.680 320 V HA 0.727 4.847 4.120 -0.000 0.000 0.309 320 V C 0.526 176.461 176.094 -0.265 0.000 1.052 320 V CA -0.596 61.495 62.300 -0.349 0.000 0.908 320 V CB 1.993 33.571 31.823 -0.409 0.000 1.001 320 V HN 0.610 nan 8.190 nan 0.000 0.431 321 G N 2.054 110.687 108.800 -0.278 0.000 2.537 321 G HA2 0.671 4.631 3.960 -0.000 0.000 0.308 321 G HA3 0.671 4.631 3.960 -0.000 0.000 0.308 321 G C -2.156 172.782 174.900 0.063 0.000 1.237 321 G CA -0.572 44.515 45.100 -0.022 0.000 0.968 321 G HN 0.629 nan 8.290 nan 0.000 0.481 322 Y N 0.736 121.094 120.300 0.097 0.000 2.330 322 Y HA 0.471 5.021 4.550 -0.000 0.000 0.324 322 Y C -1.151 174.721 175.900 -0.047 0.000 1.093 322 Y CA -0.779 57.330 58.100 0.016 0.000 1.103 322 Y CB 1.915 40.370 38.460 -0.009 0.000 1.183 322 Y HN 0.436 nan 8.280 nan 0.000 0.433 323 V N 8.562 128.159 119.914 -0.529 0.000 2.328 323 V HA 0.420 4.540 4.120 -0.000 0.000 0.278 323 V C -2.283 173.350 176.094 -0.767 0.000 1.021 323 V CA -2.117 59.823 62.300 -0.601 0.000 0.838 323 V CB 1.069 32.463 31.823 -0.714 0.000 0.999 323 V HN 0.634 nan 8.190 nan 0.000 0.447 324 P HA 0.057 nan 4.420 nan 0.000 0.269 324 P C -0.034 176.972 177.300 -0.491 0.000 1.209 324 P CA -0.373 62.322 63.100 -0.674 0.000 0.776 324 P CB 0.492 31.627 31.700 -0.942 0.000 0.876 325 K N 2.142 122.389 120.400 -0.256 0.000 2.513 325 K HA -0.079 4.241 4.320 -0.000 0.000 0.275 325 K C 1.283 177.906 176.600 0.038 0.000 1.025 325 K CA 1.620 57.871 56.287 -0.059 0.000 1.125 325 K CB -0.837 31.648 32.500 -0.025 0.000 0.843 325 K HN 0.839 nan 8.250 nan 0.000 0.486 326 G N 3.367 112.270 108.800 0.171 0.000 2.253 326 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.251 326 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.251 326 G C 0.038 175.062 174.900 0.206 0.000 0.998 326 G CA 0.217 45.431 45.100 0.190 0.000 0.621 326 G HN 0.703 nan 8.290 nan 0.000 0.524 327 Y N 1.509 121.785 120.300 -0.041 0.000 2.497 327 Y HA 0.371 4.921 4.550 -0.000 0.000 0.334 327 Y C 1.610 177.578 175.900 0.113 0.000 1.199 327 Y CA -0.372 57.678 58.100 -0.083 0.000 1.425 327 Y CB 0.821 39.154 38.460 -0.210 0.000 1.291 327 Y HN 0.272 nan 8.280 nan 0.000 0.562 328 G N 3.214 112.183 108.800 0.283 0.000 2.432 328 G HA2 0.377 4.337 3.960 -0.000 0.000 0.257 328 G HA3 0.377 4.337 3.960 -0.000 0.000 0.257 328 G C -0.859 174.236 174.900 0.324 0.000 1.238 328 G CA -0.169 45.153 45.100 0.371 0.000 0.838 328 G HN 0.821 nan 8.290 nan 0.000 0.547 329 H N -0.998 118.035 119.070 -0.063 0.000 2.967 329 H HA 0.776 5.332 4.556 -0.000 0.000 0.318 329 H C -0.978 174.237 175.328 -0.188 0.000 1.375 329 H CA -0.707 55.263 56.048 -0.130 0.000 1.132 329 H CB 1.268 30.937 29.762 -0.155 0.000 1.848 329 H HN 1.241 nan 8.280 nan 0.000 0.524 330 A N 1.176 123.942 122.820 -0.089 0.000 2.599 330 A HA 0.542 4.862 4.320 -0.000 0.000 0.294 330 A C -1.354 176.247 177.584 0.029 0.000 1.055 330 A CA -0.390 51.614 52.037 -0.055 0.000 0.683 330 A CB 1.522 20.511 19.000 -0.018 0.000 1.278 330 A HN 1.024 nan 8.150 nan 0.000 0.412 331 I N -0.490 120.125 120.570 0.076 0.000 2.533 331 I HA 0.860 5.029 4.170 -0.000 0.000 0.290 331 I C -0.833 175.335 176.117 0.086 0.000 1.056 331 I CA -0.624 60.723 61.300 0.078 0.000 1.057 331 I CB 1.966 40.030 38.000 0.107 0.000 1.240 331 I HN 0.840 nan 8.210 nan 0.000 0.423 332 R N 4.308 124.845 120.500 0.062 0.000 2.621 332 R HA 0.384 4.724 4.340 -0.000 0.000 0.292 332 R C -1.088 175.247 176.300 0.058 0.000 0.969 332 R CA -0.665 55.477 56.100 0.070 0.000 0.887 332 R CB 1.517 31.864 30.300 0.079 0.000 1.180 332 R HN 0.798 nan 8.270 nan 0.000 0.450 333 N N 1.804 120.528 118.700 0.039 0.000 2.415 333 N HA 0.089 4.829 4.740 -0.000 0.000 0.246 333 N C -0.762 174.763 175.510 0.024 0.000 1.078 333 N CA 0.131 53.190 53.050 0.015 0.000 0.942 333 N CB 1.419 39.891 38.487 -0.025 0.000 1.140 333 N HN 0.533 nan 8.380 nan 0.000 0.501 334 S N 0.589 116.312 115.700 0.038 0.000 2.556 334 S HA 0.035 4.505 4.470 -0.000 0.000 0.216 334 S C 0.730 175.333 174.600 0.005 0.000 0.970 334 S CA -0.407 57.812 58.200 0.033 0.000 0.912 334 S CB -0.071 63.166 63.200 0.061 0.000 0.790 334 S HN 0.758 nan 8.310 nan 0.000 0.504 335 S N 0.915 116.615 115.700 -0.000 0.000 2.634 335 S HA 0.262 4.732 4.470 -0.000 0.000 0.261 335 S C 0.835 175.426 174.600 -0.015 0.000 1.271 335 S CA -0.450 57.744 58.200 -0.010 0.000 0.985 335 S CB 0.427 63.619 63.200 -0.012 0.000 0.968 335 S HN 0.027 nan 8.310 nan 0.000 0.568 336 Q N 0.124 119.915 119.800 -0.015 0.000 2.451 336 Q HA 0.283 4.623 4.340 -0.000 0.000 0.206 336 Q C -0.080 175.912 176.000 -0.013 0.000 0.947 336 Q CA 0.940 56.735 55.803 -0.014 0.000 0.937 336 Q CB -0.192 28.539 28.738 -0.012 0.000 1.025 336 Q HN 0.609 nan 8.270 nan 0.000 0.511 337 K N 0.128 120.518 120.400 -0.017 0.000 2.295 337 K HA 0.459 4.779 4.320 -0.000 0.000 0.239 337 K C -2.548 174.028 176.600 -0.039 0.000 0.991 337 K CA -2.167 54.110 56.287 -0.017 0.000 0.845 337 K CB 1.364 33.859 32.500 -0.009 0.000 1.197 337 K HN -0.206 nan 8.250 nan 0.000 0.441 338 P HA 0.103 nan 4.420 nan 0.000 0.272 338 P C -1.347 175.868 177.300 -0.141 0.000 1.240 338 P CA -0.459 62.565 63.100 -0.127 0.000 0.791 338 P CB 0.461 32.120 31.700 -0.067 0.000 0.978 339 L N 1.364 122.435 121.223 -0.254 0.000 2.410 339 L HA 0.545 4.885 4.340 -0.000 0.000 0.270 339 L C -1.601 175.175 176.870 -0.158 0.000 0.983 339 L CA -0.088 54.661 54.840 -0.152 0.000 0.822 339 L CB 1.768 43.761 42.059 -0.110 0.000 1.285 339 L HN 0.200 nan 8.230 nan 0.000 0.409 340 D N 6.734 127.118 120.400 -0.027 0.000 2.629 340 D HA 0.518 5.158 4.640 -0.000 0.000 0.250 340 D C -0.842 175.502 176.300 0.072 0.000 1.126 340 D CA -0.023 54.006 54.000 0.048 0.000 0.852 340 D CB 2.672 43.548 40.800 0.125 0.000 1.335 340 D HN 0.678 nan 8.370 nan 0.000 0.518 341 I N -1.008 119.604 120.570 0.072 0.000 2.828 341 I HA 0.634 4.804 4.170 -0.000 0.000 0.302 341 I C -1.437 174.711 176.117 0.052 0.000 1.101 341 I CA -0.936 60.412 61.300 0.080 0.000 1.031 341 I CB 2.446 40.478 38.000 0.055 0.000 1.231 341 I HN 0.106 nan 8.210 nan 0.000 0.427 342 V N 6.633 126.580 119.914 0.056 0.000 2.459 342 V HA 0.695 4.815 4.120 -0.000 0.000 0.295 342 V C -0.413 175.700 176.094 0.031 0.000 1.029 342 V CA -0.232 62.055 62.300 -0.021 0.000 0.874 342 V CB 1.653 33.368 31.823 -0.180 0.000 0.985 342 V HN 0.698 nan 8.190 nan 0.000 0.438 343 V N 4.874 124.759 119.914 -0.047 0.000 2.815 343 V HA 0.909 5.028 4.120 -0.000 0.000 0.314 343 V C -0.735 175.129 176.094 -0.382 0.000 1.064 343 V CA -0.619 61.579 62.300 -0.170 0.000 0.952 343 V CB 1.790 33.469 31.823 -0.241 0.000 1.020 343 V HN 0.672 nan 8.190 nan 0.000 0.439 344 V N 2.957 122.547 119.914 -0.541 0.000 2.760 344 V HA 0.625 4.744 4.120 -0.000 0.000 0.309 344 V C -1.052 174.567 176.094 -0.791 0.000 1.077 344 V CA -0.255 61.617 62.300 -0.714 0.000 0.910 344 V CB 1.802 33.232 31.823 -0.654 0.000 1.008 344 V HN 0.826 nan 8.190 nan 0.000 0.424 345 F N 2.487 122.231 119.950 -0.343 0.000 2.508 345 F HA 0.447 4.974 4.527 -0.000 0.000 0.325 345 F C 0.772 176.414 175.800 -0.264 0.000 1.090 345 F CA -0.986 56.855 58.000 -0.264 0.000 0.945 345 F CB 1.566 40.425 39.000 -0.236 0.000 1.156 345 F HN 0.613 nan 8.300 nan 0.000 0.463 346 N N 1.066 119.747 118.700 -0.031 0.000 2.878 346 N HA 0.075 4.815 4.740 -0.000 0.000 0.282 346 N C -1.191 174.280 175.510 -0.064 0.000 1.284 346 N CA 0.058 53.064 53.050 -0.073 0.000 1.053 346 N CB -0.147 38.309 38.487 -0.050 0.000 1.382 346 N HN 0.577 nan 8.380 nan 0.000 0.529 347 D N -1.503 118.855 120.400 -0.069 0.000 2.803 347 D HA 0.262 4.902 4.640 -0.000 0.000 0.218 347 D C 0.385 176.616 176.300 -0.115 0.000 1.245 347 D CA -0.601 53.344 54.000 -0.091 0.000 0.821 347 D CB 1.534 42.290 40.800 -0.073 0.000 1.626 347 D HN 0.136 nan 8.370 nan 0.000 0.487 348 G N 1.549 110.270 108.800 -0.132 0.000 2.744 348 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.211 348 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.211 348 G C 0.371 175.221 174.900 -0.082 0.000 1.143 348 G CA 0.194 45.213 45.100 -0.135 0.000 0.788 348 G HN 0.367 nan 8.290 nan 0.000 0.534 349 D N -0.671 119.682 120.400 -0.077 0.000 2.461 349 D HA 0.220 4.859 4.640 -0.000 0.000 0.240 349 D C -1.044 175.192 176.300 -0.106 0.000 1.094 349 D CA -1.104 52.856 54.000 -0.066 0.000 0.868 349 D CB 0.387 41.150 40.800 -0.062 0.000 1.062 349 D HN 0.078 nan 8.370 nan 0.000 0.530 350 Y N 3.187 123.353 120.300 -0.225 0.000 2.496 350 Y HA 0.250 4.800 4.550 -0.000 0.000 0.334 350 Y C -0.455 175.285 175.900 -0.267 0.000 1.080 350 Y CA 0.436 58.328 58.100 -0.347 0.000 1.355 350 Y CB 0.377 38.634 38.460 -0.338 0.000 1.193 350 Y HN 0.314 nan 8.280 nan 0.000 0.523 351 Q N 4.654 123.918 119.800 -0.893 0.000 2.321 351 Q HA 0.450 4.790 4.340 -0.000 0.000 0.270 351 Q C -1.324 174.242 176.000 -0.723 0.000 1.032 351 Q CA -0.853 54.555 55.803 -0.657 0.000 0.784 351 Q CB 2.153 30.683 28.738 -0.347 0.000 1.264 351 Q HN 0.667 nan 8.270 nan 0.000 0.448 352 S N 3.271 118.567 115.700 -0.672 0.000 2.547 352 S HA 0.669 5.138 4.470 -0.000 0.000 0.281 352 S C -1.201 173.044 174.600 -0.592 0.000 1.118 352 S CA -0.530 57.304 58.200 -0.611 0.000 0.947 352 S CB 0.838 63.717 63.200 -0.535 0.000 1.053 352 S HN 0.562 nan 8.310 nan 0.000 0.482 353 I N 3.935 124.011 120.570 -0.823 0.000 2.420 353 I HA 0.331 4.501 4.170 -0.000 0.000 0.282 353 I C -0.813 174.892 176.117 -0.686 0.000 1.019 353 I CA -0.763 60.014 61.300 -0.872 0.000 1.130 353 I CB 1.626 38.739 38.000 -1.477 0.000 1.262 353 I HN 0.528 nan 8.210 nan 0.000 0.454 354 D N 4.490 124.688 120.400 -0.337 0.000 2.304 354 D HA 0.094 4.733 4.640 -0.000 0.000 0.247 354 D C 0.970 177.283 176.300 0.021 0.000 1.089 354 D CA -0.367 53.550 54.000 -0.137 0.000 0.910 354 D CB 2.150 42.882 40.800 -0.113 0.000 1.199 354 D HN 0.361 nan 8.370 nan 0.000 0.426 355 L N 2.746 124.050 121.223 0.136 0.000 2.013 355 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 355 L C 2.143 179.141 176.870 0.213 0.000 1.073 355 L CA 2.175 57.184 54.840 0.281 0.000 0.753 355 L CB -0.785 41.407 42.059 0.222 0.000 0.890 355 L HN 0.495 nan 8.230 nan 0.000 0.432 356 S N -2.290 113.473 115.700 0.104 0.000 2.359 356 S HA -0.238 4.231 4.470 -0.000 0.000 0.224 356 S C 1.913 176.562 174.600 0.080 0.000 1.035 356 S CA 1.777 60.016 58.200 0.066 0.000 1.018 356 S CB -1.489 61.726 63.200 0.025 0.000 0.876 356 S HN 0.560 nan 8.310 nan 0.000 0.448 357 T N 0.796 115.391 114.554 0.068 0.000 2.720 357 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 357 T C 1.225 176.028 174.700 0.171 0.000 1.037 357 T CA 1.516 63.656 62.100 0.067 0.000 1.144 357 T CB -0.486 68.381 68.868 -0.001 0.000 0.864 357 T HN 0.628 nan 8.240 nan 0.000 0.444 358 W N 1.912 123.207 121.300 -0.008 0.000 2.353 358 W HA -0.001 4.659 4.660 -0.000 0.000 0.319 358 W C 1.865 178.427 176.519 0.072 0.000 1.207 358 W CA 0.653 58.026 57.345 0.047 0.000 1.291 358 W CB -1.035 28.497 29.460 0.120 0.000 1.159 358 W HN 0.187 nan 8.180 nan 0.000 0.478 359 L N 0.625 121.895 121.223 0.079 0.000 2.012 359 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 359 L C 2.623 179.493 176.870 0.001 0.000 1.073 359 L CA 1.680 56.489 54.840 -0.052 0.000 0.748 359 L CB -1.679 40.382 42.059 0.002 0.000 0.891 359 L HN 0.045 nan 8.230 nan 0.000 0.431 360 A N 0.365 123.209 122.820 0.040 0.000 1.986 360 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 360 A C 2.447 180.054 177.584 0.037 0.000 1.171 360 A CA 2.099 54.156 52.037 0.032 0.000 0.640 360 A CB -0.629 18.391 19.000 0.033 0.000 0.811 360 A HN 0.573 nan 8.150 nan 0.000 0.451 361 S N -0.682 115.058 115.700 0.066 0.000 2.561 361 S HA 0.049 4.519 4.470 -0.000 0.000 0.225 361 S C 0.584 175.216 174.600 0.054 0.000 0.977 361 S CA -0.184 58.061 58.200 0.075 0.000 0.926 361 S CB -0.299 62.981 63.200 0.133 0.000 0.769 361 S HN 0.528 nan 8.310 nan 0.000 0.533 362 N N 2.871 121.582 118.700 0.018 0.000 2.466 362 N HA 0.448 5.188 4.740 -0.000 0.000 0.294 362 N C -2.942 172.565 175.510 -0.005 0.000 1.129 362 N CA -1.358 51.689 53.050 -0.006 0.000 0.931 362 N CB 1.507 39.953 38.487 -0.069 0.000 1.193 362 N HN 0.238 nan 8.380 nan 0.000 0.500 363 P HA 0.192 nan 4.420 nan 0.000 0.277 363 P C 0.398 177.695 177.300 -0.005 0.000 1.240 363 P CA -0.210 62.889 63.100 -0.002 0.000 0.798 363 P CB 0.939 32.639 31.700 -0.000 0.000 0.979 364 S N 1.500 117.200 115.700 -0.000 0.000 2.378 364 S HA -0.230 4.240 4.470 -0.000 0.000 0.229 364 S C 2.022 176.623 174.600 0.002 0.000 1.052 364 S CA 2.406 60.608 58.200 0.003 0.000 1.084 364 S CB -1.100 62.102 63.200 0.003 0.000 0.950 364 S HN 0.804 nan 8.310 nan 0.000 0.440 365 S N 1.501 117.199 115.700 -0.004 0.000 2.359 365 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 365 S C 1.902 176.491 174.600 -0.018 0.000 1.035 365 S CA 1.491 59.686 58.200 -0.008 0.000 1.018 365 S CB -0.969 62.226 63.200 -0.008 0.000 0.876 365 S HN 0.291 nan 8.310 nan 0.000 0.448 366 V N 2.489 122.386 119.914 -0.028 0.000 2.255 366 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 366 V C 2.663 178.709 176.094 -0.080 0.000 1.051 366 V CA 2.134 64.400 62.300 -0.056 0.000 1.018 366 V CB -0.967 30.820 31.823 -0.059 0.000 0.641 366 V HN 0.470 nan 8.190 nan 0.000 0.445 367 L N 0.319 121.518 121.223 -0.040 0.000 2.017 367 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 367 L C 2.681 179.613 176.870 0.104 0.000 1.073 367 L CA 1.887 56.747 54.840 0.033 0.000 0.745 367 L CB -1.228 40.892 42.059 0.103 0.000 0.894 367 L HN 0.467 nan 8.230 nan 0.000 0.432 368 G N -0.462 108.376 108.800 0.063 0.000 2.422 368 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 368 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 368 G C 1.465 176.382 174.900 0.028 0.000 1.146 368 G CA 0.845 45.982 45.100 0.061 0.000 0.769 368 G HN 0.289 nan 8.290 nan 0.000 0.547 369 N N 0.241 118.931 118.700 -0.018 0.000 2.142 369 N HA -0.067 4.673 4.740 -0.000 0.000 0.186 369 N C 2.310 177.765 175.510 -0.091 0.000 1.023 369 N CA 1.647 54.670 53.050 -0.045 0.000 0.852 369 N CB -0.455 38.001 38.487 -0.052 0.000 0.998 369 N HN 0.211 nan 8.380 nan 0.000 0.424 370 T N -0.266 114.181 114.554 -0.180 0.000 2.701 370 T HA -0.027 4.322 4.350 -0.000 0.000 0.263 370 T C 1.317 175.807 174.700 -0.350 0.000 1.040 370 T CA 1.026 62.914 62.100 -0.353 0.000 1.147 370 T CB -0.327 68.162 68.868 -0.633 0.000 0.865 370 T HN 0.163 nan 8.240 nan 0.000 0.426 371 F N 1.306 121.212 119.950 -0.074 0.000 2.780 371 F HA 0.221 4.748 4.527 -0.000 0.000 0.299 371 F C 1.091 176.863 175.800 -0.047 0.000 1.146 371 F CA -0.161 57.800 58.000 -0.065 0.000 1.428 371 F CB -0.783 38.174 39.000 -0.071 0.000 1.115 371 F HN 0.136 nan 8.300 nan 0.000 0.583 372 Q N 0.959 120.811 119.800 0.087 0.000 2.453 372 Q HA -0.204 4.135 4.340 -0.000 0.000 0.330 372 Q C -0.551 175.483 176.000 0.057 0.000 1.417 372 Q CA 0.583 56.415 55.803 0.048 0.000 0.902 372 Q CB -2.060 26.694 28.738 0.026 0.000 1.154 372 Q HN 0.638 nan 8.270 nan 0.000 0.395 373 I N -3.641 116.967 120.570 0.064 0.000 2.934 373 I HA 0.701 4.870 4.170 -0.000 0.000 0.306 373 I C 0.463 176.594 176.117 0.023 0.000 1.110 373 I CA -1.176 60.148 61.300 0.039 0.000 1.019 373 I CB 2.026 40.046 38.000 0.034 0.000 1.227 373 I HN 0.088 nan 8.210 nan 0.000 0.434 374 S N 1.966 117.671 115.700 0.008 0.000 2.572 374 S HA 0.284 4.754 4.470 -0.000 0.000 0.279 374 S C -1.854 172.748 174.600 0.003 0.000 1.341 374 S CA -0.674 57.528 58.200 0.004 0.000 1.043 374 S CB 0.528 63.727 63.200 -0.002 0.000 0.887 374 S HN 0.618 nan 8.310 nan 0.000 0.516 375 P HA -0.083 nan 4.420 nan 0.000 0.216 375 P C 1.817 179.115 177.300 -0.004 0.000 1.150 375 P CA 2.239 65.339 63.100 0.001 0.000 0.843 375 P CB -0.353 31.347 31.700 0.000 0.000 0.787 376 E N -0.333 119.863 120.200 -0.006 0.000 2.077 376 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 376 E C 1.917 178.508 176.600 -0.016 0.000 0.989 376 E CA 1.533 57.928 56.400 -0.010 0.000 0.800 376 E CB -1.635 28.059 29.700 -0.009 0.000 0.746 376 E HN 0.129 nan 8.360 nan 0.000 0.452 377 L N 1.033 122.245 121.223 -0.019 0.000 2.156 377 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 377 L C 2.597 179.443 176.870 -0.040 0.000 1.095 377 L CA 2.527 57.347 54.840 -0.033 0.000 0.770 377 L CB -0.643 41.393 42.059 -0.037 0.000 0.914 377 L HN 0.393 nan 8.230 nan 0.000 0.439 378 T N -0.005 114.537 114.554 -0.021 0.000 2.720 378 T HA -0.212 4.137 4.350 -0.000 0.000 0.268 378 T C 1.645 176.333 174.700 -0.020 0.000 1.037 378 T CA 1.662 63.755 62.100 -0.012 0.000 1.144 378 T CB -0.229 68.645 68.868 0.011 0.000 0.864 378 T HN 0.389 nan 8.240 nan 0.000 0.444 379 K N 1.115 121.505 120.400 -0.017 0.000 2.504 379 K HA 0.031 4.351 4.320 -0.000 0.000 0.195 379 K C 1.541 178.127 176.600 -0.023 0.000 1.036 379 K CA 0.667 56.944 56.287 -0.015 0.000 0.984 379 K CB -0.010 32.484 32.500 -0.011 0.000 0.788 379 K HN 0.314 nan 8.250 nan 0.000 0.488 380 K N 0.822 121.201 120.400 -0.034 0.000 2.387 380 K HA 0.195 4.514 4.320 -0.000 0.000 0.198 380 K C 0.373 176.939 176.600 -0.057 0.000 1.022 380 K CA -0.178 56.085 56.287 -0.040 0.000 1.128 380 K CB 0.228 32.703 32.500 -0.042 0.000 0.853 380 K HN 0.013 nan 8.250 nan 0.000 0.523 381 L N 1.688 122.872 121.223 -0.065 0.000 2.475 381 L HA 0.174 4.514 4.340 -0.000 0.000 0.253 381 L C -2.003 174.839 176.870 -0.047 0.000 1.198 381 L CA -2.100 52.690 54.840 -0.083 0.000 0.814 381 L CB -0.098 41.907 42.059 -0.091 0.000 1.134 381 L HN -0.126 nan 8.230 nan 0.000 0.478 382 P HA -0.034 nan 4.420 nan 0.000 0.265 382 P C 0.249 177.546 177.300 -0.006 0.000 1.193 382 P CA -0.072 63.018 63.100 -0.017 0.000 0.765 382 P CB 0.601 32.298 31.700 -0.006 0.000 0.823 383 V N -0.097 119.816 119.914 -0.002 0.000 3.605 383 V HA 0.221 4.341 4.120 -0.000 0.000 0.284 383 V C 0.282 176.380 176.094 0.007 0.000 1.386 383 V CA 0.433 62.734 62.300 0.003 0.000 1.053 383 V CB -1.048 30.775 31.823 0.000 0.000 0.857 383 V HN 0.654 nan 8.190 nan 0.000 0.436 384 Q N -0.472 119.332 119.800 0.006 0.000 2.630 384 Q HA 0.597 4.937 4.340 -0.000 0.000 0.295 384 Q C -1.929 174.072 176.000 0.002 0.000 0.944 384 Q CA -0.737 55.069 55.803 0.005 0.000 0.766 384 Q CB 1.863 30.603 28.738 0.004 0.000 1.471 384 Q HN 0.125 nan 8.270 nan 0.000 0.416 385 D N 0.697 121.094 120.400 -0.005 0.000 2.462 385 D HA 0.255 4.895 4.640 -0.000 0.000 0.245 385 D C -0.149 176.136 176.300 -0.025 0.000 1.122 385 D CA -0.430 53.559 54.000 -0.018 0.000 0.864 385 D CB 1.754 42.535 40.800 -0.031 0.000 1.098 385 D HN 0.673 nan 8.370 nan 0.000 0.541 386 T N 1.491 116.036 114.554 -0.015 0.000 3.163 386 T HA 0.154 4.504 4.350 -0.000 0.000 0.252 386 T C 1.638 176.317 174.700 -0.036 0.000 1.056 386 T CA -0.173 61.927 62.100 0.000 0.000 0.947 386 T CB -0.207 68.685 68.868 0.040 0.000 1.016 386 T HN 0.464 nan 8.240 nan 0.000 0.554 387 I N -1.286 119.208 120.570 -0.126 0.000 4.608 387 I HA -0.281 3.889 4.170 -0.000 0.000 0.051 387 I C 0.351 176.228 176.117 -0.401 0.000 0.619 387 I CA 1.484 62.589 61.300 -0.325 0.000 0.844 387 I CB -2.217 35.495 38.000 -0.480 0.000 0.772 387 I HN 0.372 nan 8.210 nan 0.000 0.161 388 F N 1.998 121.950 119.950 0.004 0.000 2.380 388 F HA 0.608 5.135 4.527 -0.000 0.000 0.321 388 F C 0.914 176.723 175.800 0.015 0.000 1.103 388 F CA -0.335 57.674 58.000 0.015 0.000 1.067 388 F CB 1.256 40.268 39.000 0.021 0.000 1.265 388 F HN -0.080 nan 8.300 nan 0.000 0.517 389 S N 1.370 117.209 115.700 0.231 0.000 2.521 389 S HA 0.683 5.153 4.470 -0.000 0.000 0.295 389 S C -0.749 173.917 174.600 0.109 0.000 1.098 389 S CA -0.736 57.541 58.200 0.129 0.000 0.999 389 S CB 1.141 64.392 63.200 0.086 0.000 1.034 389 S HN 0.362 nan 8.310 nan 0.000 0.483 390 L N 3.794 125.062 121.223 0.075 0.000 2.360 390 L HA 0.543 4.883 4.340 -0.000 0.000 0.271 390 L C -1.883 175.009 176.870 0.037 0.000 1.057 390 L CA -2.000 52.870 54.840 0.049 0.000 0.803 390 L CB 0.362 42.444 42.059 0.038 0.000 1.207 390 L HN 0.397 nan 8.230 nan 0.000 0.445 391 P HA 0.097 nan 4.420 nan 0.000 0.274 391 P C -0.483 176.827 177.300 0.017 0.000 1.237 391 P CA -0.446 62.666 63.100 0.021 0.000 0.793 391 P CB 0.469 32.178 31.700 0.014 0.000 0.977 392 T N -0.008 114.554 114.554 0.014 0.000 2.940 392 T HA 0.047 4.397 4.350 -0.000 0.000 0.309 392 T C 0.476 175.181 174.700 0.008 0.000 1.056 392 T CA -0.592 61.514 62.100 0.011 0.000 1.137 392 T CB -0.078 68.795 68.868 0.008 0.000 0.976 392 T HN 0.265 nan 8.240 nan 0.000 0.547 393 Q N 3.005 122.810 119.800 0.008 0.000 2.373 393 Q HA 0.347 4.687 4.340 -0.000 0.000 0.255 393 Q C -1.200 174.802 176.000 0.004 0.000 0.980 393 Q CA -1.476 54.331 55.803 0.007 0.000 0.882 393 Q CB -0.550 28.192 28.738 0.007 0.000 1.249 393 Q HN 0.716 nan 8.270 nan 0.000 0.438 394 P HA 0.000 nan 4.420 nan 0.000 0.216 394 P CA 0.000 63.101 63.100 0.002 0.000 0.800 394 P CB 0.000 31.701 31.700 0.002 0.000 0.726