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 3fvq_1_B DATA FIRST_RESID 2 DATA SEQUENCE TAALHIGHLS KSFQNTPVLN DISLSLDPGE ILFIIGASGC GKTTLLRCLA DATA SEQUENCE GFEQPDSGEI SLSGKTIFSK NTNLPVRERR LGYLVQEGVL FPHLTVYRNI DATA SEQUENCE AYGLGNGKGR TAQERQRIEA MLELTGISEL AGRYPHELSG GQQQRAALAR DATA SEQUENCE ALAPDPELIL LDEPFSALDE QLRRQIREDM IAALRANGKS AVFVSHDREE DATA SEQUENCE ALQYADRIAV MKQGRILQTA SPHELYRQPA DLDAALFIGE GIVFPAALNA DATA SEQUENCE DGTADCRLGR LPVQSGAPAG TRGTLLIRPE QYSLHPHSAP AASIHAVVLK DATA SEQUENCE TTPKARHTEI SLRAGQTVLT LNLPSAPTLS DGISAVLHLD GPALFFPGNT 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.713 174.700 0.022 0.000 1.109 2 T CA 0.000 62.115 62.100 0.025 0.000 1.349 2 T CB 0.000 nan 68.868 nan 0.000 0.612 3 A N 0.378 123.209 122.820 0.018 0.000 2.327 3 A HA 0.851 5.167 4.320 -0.007 0.000 0.283 3 A C 0.849 178.446 177.584 0.021 0.000 1.127 3 A CA 0.385 52.432 52.037 0.017 0.000 0.810 3 A CB -0.196 18.810 19.000 0.010 0.000 1.066 3 A HN 2.162 nan 8.150 nan 0.000 0.492 4 A N 0.966 123.800 122.820 0.024 0.000 2.322 4 A HA 0.645 4.961 4.320 -0.007 0.000 0.269 4 A C -0.465 177.140 177.584 0.035 0.000 1.094 4 A CA -0.235 51.821 52.037 0.031 0.000 0.807 4 A CB 0.406 19.424 19.000 0.030 0.000 1.047 4 A HN 1.613 nan 8.150 nan 0.000 0.487 5 L N 0.835 122.086 121.223 0.047 0.000 2.455 5 L HA 0.658 4.994 4.340 -0.007 0.000 0.264 5 L C -1.014 175.919 176.870 0.105 0.000 0.968 5 L CA -0.313 54.557 54.840 0.051 0.000 0.827 5 L CB 2.263 44.331 42.059 0.014 0.000 1.317 5 L HN 0.954 nan 8.230 nan 0.000 0.407 6 H N 4.116 123.184 119.070 -0.004 0.000 2.667 6 H HA 0.723 5.275 4.556 -0.007 0.000 0.353 6 H C -1.754 173.572 175.328 -0.004 0.000 1.072 6 H CA -0.516 55.529 56.048 -0.005 0.000 1.214 6 H CB 1.515 31.278 29.762 0.001 0.000 1.600 6 H HN 0.584 nan 8.280 nan 0.000 0.527 7 I N 4.435 124.679 120.570 -0.543 0.000 2.436 7 I HA 0.483 4.649 4.170 -0.007 0.000 0.289 7 I C -0.023 175.728 176.117 -0.612 0.000 1.010 7 I CA -0.698 60.331 61.300 -0.452 0.000 1.098 7 I CB 2.190 40.056 38.000 -0.225 0.000 1.266 7 I HN 0.835 nan 8.210 nan 0.000 0.434 8 G N 3.867 112.379 108.800 -0.480 0.000 2.626 8 G HA2 0.412 4.368 3.960 -0.007 0.000 0.304 8 G HA3 0.412 4.368 3.960 -0.007 0.000 0.304 8 G C -0.214 174.642 174.900 -0.073 0.000 1.385 8 G CA -0.261 44.664 45.100 -0.292 0.000 0.957 8 G HN 0.821 nan 8.290 nan 0.000 0.504 9 H N -0.428 118.618 119.070 -0.040 0.000 2.692 9 H HA -0.175 4.377 4.556 -0.007 0.000 0.316 9 H C 0.028 175.341 175.328 -0.025 0.000 1.176 9 H CA 0.554 56.591 56.048 -0.018 0.000 1.142 9 H CB -0.888 28.877 29.762 0.005 0.000 1.475 9 H HN 0.406 nan 8.280 nan 0.000 0.423 10 L N 0.888 122.114 121.223 0.005 0.000 2.305 10 L HA 0.382 4.718 4.340 -0.007 0.000 0.281 10 L C 0.251 177.101 176.870 -0.034 0.000 1.085 10 L CA 0.371 55.197 54.840 -0.023 0.000 0.813 10 L CB 1.407 43.412 42.059 -0.089 0.000 1.157 10 L HN 0.208 nan 8.230 nan 0.000 0.436 11 S N 3.161 118.836 115.700 -0.041 0.000 2.570 11 S HA 0.815 5.281 4.470 -0.007 0.000 0.286 11 S C -1.397 173.138 174.600 -0.107 0.000 1.099 11 S CA -0.778 57.388 58.200 -0.056 0.000 0.913 11 S CB 1.967 65.153 63.200 -0.023 0.000 1.085 11 S HN 0.489 nan 8.310 nan 0.000 0.480 12 K N 0.854 121.173 120.400 -0.134 0.000 2.561 12 K HA 0.620 4.936 4.320 -0.007 0.000 0.254 12 K C -1.619 174.832 176.600 -0.248 0.000 0.942 12 K CA -0.105 56.046 56.287 -0.227 0.000 0.818 12 K CB 1.686 34.014 32.500 -0.286 0.000 1.306 12 K HN 0.509 nan 8.250 nan 0.000 0.435 13 S N 3.063 118.581 115.700 -0.303 0.000 2.542 13 S HA 0.660 5.126 4.470 -0.007 0.000 0.293 13 S C -1.435 172.924 174.600 -0.401 0.000 1.089 13 S CA -0.558 57.497 58.200 -0.241 0.000 0.961 13 S CB 0.481 63.619 63.200 -0.104 0.000 1.062 13 S HN 0.415 nan 8.310 nan 0.000 0.483 14 F N 2.655 122.602 119.950 -0.005 0.000 2.402 14 F HA 0.368 4.891 4.527 -0.007 0.000 0.355 14 F C 0.853 176.653 175.800 0.000 0.000 1.123 14 F CA -0.414 57.584 58.000 -0.002 0.000 1.021 14 F CB 1.144 40.142 39.000 -0.003 0.000 1.160 14 F HN 0.720 nan 8.300 nan 0.000 0.451 15 Q N 0.491 120.376 119.800 0.142 0.000 2.015 15 Q HA -0.400 3.936 4.340 -0.007 0.000 0.393 15 Q C 0.716 176.752 176.000 0.060 0.000 0.701 15 Q CA 1.662 57.517 55.803 0.087 0.000 0.921 15 Q CB -1.016 27.776 28.738 0.089 0.000 2.909 15 Q HN 0.577 nan 8.270 nan 0.000 0.814 16 N N 0.262 118.997 118.700 0.059 0.000 2.383 16 N HA 0.062 4.797 4.740 -0.007 0.000 0.192 16 N C -0.902 174.637 175.510 0.049 0.000 1.141 16 N CA 0.635 53.709 53.050 0.042 0.000 0.851 16 N CB 0.373 38.879 38.487 0.033 0.000 0.976 16 N HN 0.406 nan 8.380 nan 0.000 0.465 17 T N 3.735 118.338 114.554 0.082 0.000 2.910 17 T HA 0.292 4.638 4.350 -0.007 0.000 0.323 17 T C -2.670 172.087 174.700 0.095 0.000 1.091 17 T CA -1.323 60.839 62.100 0.103 0.000 0.960 17 T CB 1.770 70.736 68.868 0.162 0.000 1.024 17 T HN 0.134 nan 8.240 nan 0.000 0.509 18 P HA 0.184 nan 4.420 nan 0.000 0.275 18 P C 0.612 177.935 177.300 0.039 0.000 1.227 18 P CA -0.275 62.835 63.100 0.017 0.000 0.781 18 P CB 1.496 33.202 31.700 0.009 0.000 0.906 19 V N 0.604 120.525 119.914 0.012 0.000 3.151 19 V HA 0.320 4.436 4.120 -0.007 0.000 0.235 19 V C 0.278 176.374 176.094 0.003 0.000 1.501 19 V CA 0.206 62.533 62.300 0.044 0.000 1.211 19 V CB -0.150 31.759 31.823 0.143 0.000 1.049 19 V HN 0.188 nan 8.190 nan 0.000 0.455 20 L N 2.978 124.177 121.223 -0.039 0.000 2.333 20 L HA 0.667 5.003 4.340 -0.007 0.000 0.280 20 L C -1.060 175.785 176.870 -0.042 0.000 1.004 20 L CA -0.282 54.530 54.840 -0.047 0.000 0.820 20 L CB 1.820 43.834 42.059 -0.074 0.000 1.247 20 L HN 0.231 nan 8.230 nan 0.000 0.416 21 N N 3.113 121.796 118.700 -0.028 0.000 2.626 21 N HA 0.120 4.856 4.740 -0.007 0.000 0.249 21 N C -0.691 174.816 175.510 -0.004 0.000 1.021 21 N CA -0.363 52.678 53.050 -0.014 0.000 0.886 21 N CB 1.307 39.789 38.487 -0.008 0.000 1.149 21 N HN 0.589 nan 8.380 nan 0.000 0.517 22 D N 1.206 121.611 120.400 0.008 0.000 2.699 22 D HA -0.172 4.464 4.640 -0.007 0.000 0.239 22 D C -0.459 175.840 176.300 -0.002 0.000 1.136 22 D CA 0.453 54.480 54.000 0.045 0.000 0.668 22 D CB -0.850 39.996 40.800 0.076 0.000 1.060 22 D HN 0.433 nan 8.370 nan 0.000 0.429 23 I N 0.907 121.453 120.570 -0.039 0.000 2.441 23 I HA 0.159 4.325 4.170 -0.007 0.000 0.287 23 I C 0.726 176.766 176.117 -0.128 0.000 1.049 23 I CA 0.119 61.374 61.300 -0.075 0.000 1.381 23 I CB 1.310 39.263 38.000 -0.077 0.000 1.409 23 I HN 0.044 nan 8.210 nan 0.000 0.523 24 S N 6.799 122.411 115.700 -0.146 0.000 2.521 24 S HA 0.776 5.242 4.470 -0.007 0.000 0.295 24 S C -0.914 173.623 174.600 -0.105 0.000 1.098 24 S CA -0.516 57.575 58.200 -0.183 0.000 0.999 24 S CB 2.371 65.420 63.200 -0.251 0.000 1.034 24 S HN 0.427 nan 8.310 nan 0.000 0.483 25 L N 2.093 123.260 121.223 -0.094 0.000 2.592 25 L HA 0.655 4.990 4.340 -0.007 0.000 0.258 25 L C -1.151 175.720 176.870 0.001 0.000 0.926 25 L CA 0.122 54.940 54.840 -0.037 0.000 0.885 25 L CB 1.954 43.984 42.059 -0.047 0.000 1.380 25 L HN 0.637 nan 8.230 nan 0.000 0.415 26 S N 3.282 119.012 115.700 0.050 0.000 2.600 26 S HA 0.894 5.359 4.470 -0.007 0.000 0.300 26 S C -1.526 173.107 174.600 0.055 0.000 1.087 26 S CA -0.499 57.753 58.200 0.087 0.000 0.965 26 S CB 1.946 65.211 63.200 0.108 0.000 1.089 26 S HN 0.651 nan 8.310 nan 0.000 0.496 27 L N 2.278 123.533 121.223 0.055 0.000 2.409 27 L HA 0.584 4.920 4.340 -0.007 0.000 0.272 27 L C -1.112 175.787 176.870 0.047 0.000 0.980 27 L CA -0.371 54.497 54.840 0.048 0.000 0.826 27 L CB 1.682 43.761 42.059 0.035 0.000 1.268 27 L HN 0.472 nan 8.230 nan 0.000 0.407 28 D N 5.708 126.137 120.400 0.048 0.000 2.339 28 D HA 0.329 4.965 4.640 -0.007 0.000 0.245 28 D C -2.413 173.912 176.300 0.042 0.000 1.115 28 D CA -1.244 52.781 54.000 0.041 0.000 0.917 28 D CB 1.095 41.919 40.800 0.041 0.000 1.192 28 D HN 0.323 nan 8.370 nan 0.000 0.428 29 P HA 0.123 nan 4.420 nan 0.000 0.264 29 P C 0.617 177.942 177.300 0.041 0.000 1.193 29 P CA 0.474 63.594 63.100 0.034 0.000 0.763 29 P CB 0.604 32.320 31.700 0.027 0.000 0.810 30 G N 1.738 110.567 108.800 0.047 0.000 2.205 30 G HA2 -0.293 3.663 3.960 -0.007 0.000 0.261 30 G HA3 -0.293 3.663 3.960 -0.007 0.000 0.261 30 G C 0.223 175.169 174.900 0.076 0.000 0.980 30 G CA 0.070 45.205 45.100 0.058 0.000 0.632 30 G HN 0.625 nan 8.290 nan 0.000 0.533 31 E N 0.618 120.863 120.200 0.076 0.000 2.373 31 E HA 0.418 4.764 4.350 -0.007 0.000 0.267 31 E C 0.267 176.947 176.600 0.132 0.000 1.032 31 E CA -0.654 55.804 56.400 0.096 0.000 0.889 31 E CB 0.229 29.979 29.700 0.084 0.000 0.984 31 E HN 0.144 nan 8.360 nan 0.000 0.425 32 I N 6.066 126.744 120.570 0.179 0.000 2.306 32 I HA 0.185 4.351 4.170 -0.007 0.000 0.288 32 I C -0.332 175.959 176.117 0.290 0.000 1.036 32 I CA -0.629 60.829 61.300 0.264 0.000 1.221 32 I CB 0.319 38.516 38.000 0.327 0.000 1.385 32 I HN 0.478 nan 8.210 nan 0.000 0.472 33 L N 7.272 128.639 121.223 0.241 0.000 2.295 33 L HA 0.605 4.941 4.340 -0.007 0.000 0.285 33 L C -1.269 175.753 176.870 0.254 0.000 1.035 33 L CA 0.087 55.067 54.840 0.234 0.000 0.806 33 L CB 1.164 43.299 42.059 0.128 0.000 1.214 33 L HN 0.178 nan 8.230 nan 0.000 0.426 34 F N 5.391 125.433 119.950 0.153 0.000 2.436 34 F HA 0.555 5.078 4.527 -0.007 0.000 0.340 34 F C 0.036 175.905 175.800 0.116 0.000 1.113 34 F CA -0.373 57.727 58.000 0.166 0.000 1.022 34 F CB 1.452 40.535 39.000 0.139 0.000 1.128 34 F HN 0.278 nan 8.300 nan 0.000 0.466 35 I N 5.785 126.477 120.570 0.204 0.000 2.362 35 I HA 0.494 4.660 4.170 -0.007 0.000 0.289 35 I C -0.457 175.752 176.117 0.153 0.000 0.994 35 I CA -0.665 60.712 61.300 0.128 0.000 1.158 35 I CB 1.280 39.308 38.000 0.046 0.000 1.315 35 I HN 0.472 nan 8.210 nan 0.000 0.451 36 I N 2.658 123.290 120.570 0.104 0.000 2.934 36 I HA 1.064 5.230 4.170 -0.007 0.000 0.306 36 I C -0.287 175.682 176.117 -0.247 0.000 1.110 36 I CA -0.550 60.811 61.300 0.103 0.000 1.019 36 I CB 2.536 40.724 38.000 0.314 0.000 1.227 36 I HN 0.649 nan 8.210 nan 0.000 0.434 37 G N 1.837 110.373 108.800 -0.440 0.000 2.328 37 G HA2 0.536 4.492 3.960 -0.007 0.000 0.299 37 G HA3 0.536 4.492 3.960 -0.007 0.000 0.299 37 G C -1.293 173.450 174.900 -0.262 0.000 1.435 37 G CA -0.378 44.178 45.100 -0.905 0.000 0.865 37 G HN 1.136 nan 8.290 nan 0.000 0.601 38 A N 0.277 123.017 122.820 -0.133 0.000 2.466 38 A HA 0.615 4.931 4.320 -0.007 0.000 0.238 38 A C 1.281 178.918 177.584 0.088 0.000 1.074 38 A CA 1.052 53.210 52.037 0.202 0.000 0.774 38 A CB 0.220 19.309 19.000 0.149 0.000 1.015 38 A HN 2.206 nan 8.150 nan 0.000 0.498 39 S N 0.720 116.470 115.700 0.082 0.000 2.626 39 S HA 0.341 4.807 4.470 -0.007 0.000 0.303 39 S C 1.504 176.115 174.600 0.018 0.000 1.256 39 S CA 1.408 59.623 58.200 0.026 0.000 1.069 39 S CB -0.556 62.644 63.200 0.001 0.000 0.807 39 S HN 2.497 nan 8.310 nan 0.000 0.500 40 G N 2.707 111.513 108.800 0.010 0.000 2.176 40 G HA2 -0.331 3.625 3.960 -0.007 0.000 0.253 40 G HA3 -0.331 3.625 3.960 -0.007 0.000 0.253 40 G C 1.139 176.046 174.900 0.011 0.000 0.979 40 G CA 0.561 45.666 45.100 0.009 0.000 0.641 40 G HN 1.699 nan 8.290 nan 0.000 0.530 41 C N -0.258 119.042 119.300 0.001 0.000 2.472 41 C HA 0.550 5.006 4.460 -0.007 0.000 0.278 41 C C 2.271 177.256 174.990 -0.009 0.000 1.447 41 C CA 1.076 60.085 59.018 -0.015 0.000 1.773 41 C CB -0.844 26.864 27.740 -0.053 0.000 1.793 41 C HN 2.382 nan 8.230 nan 0.000 0.544 42 G N 0.393 109.196 108.800 0.006 0.000 2.164 42 G HA2 -0.167 3.789 3.960 -0.007 0.000 0.154 42 G HA3 -0.167 3.789 3.960 -0.007 0.000 0.154 42 G C 0.744 175.646 174.900 0.004 0.000 1.014 42 G CA 0.229 45.339 45.100 0.015 0.000 0.683 42 G HN 0.543 nan 8.290 nan 0.000 0.500 43 K N -0.026 120.375 120.400 0.002 0.000 2.002 43 K HA -0.048 4.268 4.320 -0.007 0.000 0.209 43 K C 2.486 179.086 176.600 -0.000 0.000 1.048 43 K CA 1.901 58.187 56.287 -0.002 0.000 0.930 43 K CB -0.415 32.094 32.500 0.016 0.000 0.714 43 K HN 0.246 nan 8.250 nan 0.000 0.438 44 T N 0.960 115.528 114.554 0.023 0.000 2.788 44 T HA -0.116 4.230 4.350 -0.007 0.000 0.268 44 T C 1.955 176.676 174.700 0.035 0.000 1.044 44 T CA 1.746 63.870 62.100 0.040 0.000 1.139 44 T CB -0.378 68.524 68.868 0.056 0.000 0.867 44 T HN 0.292 nan 8.240 nan 0.000 0.454 45 T N 2.440 117.023 114.554 0.048 0.000 2.720 45 T HA -0.065 4.281 4.350 -0.007 0.000 0.268 45 T C 1.863 176.554 174.700 -0.015 0.000 1.037 45 T CA 0.841 62.980 62.100 0.064 0.000 1.144 45 T CB -0.473 68.460 68.868 0.109 0.000 0.864 45 T HN 0.111 nan 8.240 nan 0.000 0.444 46 L N 0.938 122.135 121.223 -0.044 0.000 1.989 46 L HA -0.038 4.298 4.340 -0.007 0.000 0.211 46 L C 2.061 178.850 176.870 -0.135 0.000 1.071 46 L CA 1.621 56.408 54.840 -0.089 0.000 0.749 46 L CB -0.960 41.053 42.059 -0.078 0.000 0.890 46 L HN 0.126 nan 8.230 nan 0.000 0.431 47 L N -0.423 120.706 121.223 -0.157 0.000 2.079 47 L HA -0.180 4.156 4.340 -0.007 0.000 0.210 47 L C 2.767 179.403 176.870 -0.390 0.000 1.081 47 L CA 1.589 56.241 54.840 -0.312 0.000 0.752 47 L CB -1.085 40.748 42.059 -0.377 0.000 0.896 47 L HN 0.311 nan 8.230 nan 0.000 0.433 48 R N -1.758 118.631 120.500 -0.185 0.000 2.096 48 R HA -0.155 4.181 4.340 -0.007 0.000 0.235 48 R C 2.395 178.678 176.300 -0.027 0.000 1.127 48 R CA 1.537 57.642 56.100 0.008 0.000 0.968 48 R CB -0.417 29.969 30.300 0.143 0.000 0.861 48 R HN 0.384 nan 8.270 nan 0.000 0.440 49 C N 0.170 119.407 119.300 -0.105 0.000 2.446 49 C HA -0.076 4.380 4.460 -0.007 0.000 0.277 49 C C 2.502 177.373 174.990 -0.198 0.000 1.275 49 C CA 0.222 59.135 59.018 -0.176 0.000 1.727 49 C CB -0.808 26.802 27.740 -0.217 0.000 2.010 49 C HN 0.462 nan 8.230 nan 0.000 0.486 50 L N 1.857 122.966 121.223 -0.189 0.000 2.046 50 L HA 0.004 4.340 4.340 -0.007 0.000 0.208 50 L C 2.403 179.176 176.870 -0.160 0.000 1.077 50 L CA 2.420 57.158 54.840 -0.170 0.000 0.747 50 L CB -0.814 41.139 42.059 -0.177 0.000 0.896 50 L HN 0.242 nan 8.230 nan 0.000 0.432 51 A N -1.247 121.457 122.820 -0.193 0.000 2.206 51 A HA 0.344 4.660 4.320 -0.007 0.000 0.211 51 A C 1.765 179.195 177.584 -0.256 0.000 1.158 51 A CA 0.754 52.694 52.037 -0.163 0.000 0.761 51 A CB -0.908 18.058 19.000 -0.056 0.000 0.801 51 A HN 0.918 nan 8.150 nan 0.000 0.473 52 G N -2.187 106.486 108.800 -0.212 0.000 2.143 52 G HA2 -0.301 3.654 3.960 -0.007 0.000 0.249 52 G HA3 -0.301 3.654 3.960 -0.007 0.000 0.249 52 G C 0.493 175.231 174.900 -0.270 0.000 0.981 52 G CA 0.430 45.393 45.100 -0.229 0.000 0.665 52 G HN 0.471 nan 8.290 nan 0.000 0.528 53 F N 0.402 120.360 119.950 0.013 0.000 2.615 53 F HA 0.426 4.949 4.527 -0.007 0.000 0.297 53 F C 1.440 177.258 175.800 0.029 0.000 1.124 53 F CA 1.039 59.067 58.000 0.047 0.000 1.451 53 F CB 0.474 39.535 39.000 0.103 0.000 1.103 53 F HN 0.207 nan 8.300 nan 0.000 0.569 54 E N 0.130 120.403 120.200 0.120 0.000 2.288 54 E HA 0.232 4.578 4.350 -0.007 0.000 0.268 54 E C -1.158 175.393 176.600 -0.081 0.000 0.885 54 E CA -0.657 55.774 56.400 0.051 0.000 0.767 54 E CB 1.415 31.150 29.700 0.058 0.000 1.220 54 E HN 0.013 nan 8.360 nan 0.000 0.427 55 Q N 4.317 124.059 119.800 -0.096 0.000 2.368 55 Q HA 0.426 4.762 4.340 -0.007 0.000 0.256 55 Q C -2.230 173.609 176.000 -0.269 0.000 0.980 55 Q CA -2.139 53.564 55.803 -0.167 0.000 0.887 55 Q CB 1.102 29.828 28.738 -0.019 0.000 1.221 55 Q HN 0.268 nan 8.270 nan 0.000 0.458 56 P HA -0.019 nan 4.420 nan 0.000 0.270 56 P C -0.644 176.557 177.300 -0.165 0.000 1.223 56 P CA 0.086 62.927 63.100 -0.432 0.000 0.785 56 P CB 0.658 31.923 31.700 -0.725 0.000 0.923 57 D N -1.526 118.821 120.400 -0.089 0.000 2.360 57 D HA 0.083 4.719 4.640 -0.007 0.000 0.210 57 D C -0.001 176.351 176.300 0.086 0.000 1.047 57 D CA -0.014 53.996 54.000 0.017 0.000 0.854 57 D CB 0.006 40.786 40.800 -0.032 0.000 0.936 57 D HN 0.299 nan 8.370 nan 0.000 0.514 58 S N -2.166 113.592 115.700 0.097 0.000 2.611 58 S HA 0.697 5.163 4.470 -0.007 0.000 0.268 58 S C 0.065 174.773 174.600 0.180 0.000 1.156 58 S CA -0.520 57.771 58.200 0.151 0.000 0.817 58 S CB 1.477 64.718 63.200 0.069 0.000 1.122 58 S HN 0.950 nan 8.310 nan 0.000 0.466 59 G N 0.364 109.278 108.800 0.191 0.000 2.566 59 G HA2 0.236 4.192 3.960 -0.007 0.000 0.599 59 G HA3 0.236 4.192 3.960 -0.007 0.000 0.599 59 G C -1.557 173.495 174.900 0.253 0.000 1.292 59 G CA -0.487 44.722 45.100 0.182 0.000 0.922 59 G HN 0.939 nan 8.290 nan 0.000 0.514 60 E N -1.040 119.264 120.200 0.173 0.000 2.343 60 E HA 0.689 5.035 4.350 -0.007 0.000 0.270 60 E C -0.719 175.928 176.600 0.078 0.000 0.895 60 E CA -0.840 55.663 56.400 0.173 0.000 0.767 60 E CB 2.464 32.233 29.700 0.114 0.000 1.248 60 E HN 0.525 nan 8.360 nan 0.000 0.440 61 I N 1.545 122.194 120.570 0.131 0.000 2.534 61 I HA 0.241 4.407 4.170 -0.007 0.000 0.288 61 I C -0.613 175.550 176.117 0.076 0.000 1.077 61 I CA -0.627 60.701 61.300 0.046 0.000 1.051 61 I CB 2.029 40.054 38.000 0.042 0.000 1.234 61 I HN 0.434 nan 8.210 nan 0.000 0.425 62 S N 6.367 122.110 115.700 0.072 0.000 2.542 62 S HA 0.845 5.311 4.470 -0.007 0.000 0.293 62 S C -1.198 173.440 174.600 0.063 0.000 1.089 62 S CA -0.749 57.503 58.200 0.085 0.000 0.961 62 S CB 2.538 65.813 63.200 0.126 0.000 1.062 62 S HN 0.490 nan 8.310 nan 0.000 0.483 63 L N 2.714 123.962 121.223 0.042 0.000 2.381 63 L HA 0.605 4.941 4.340 -0.007 0.000 0.274 63 L C 0.281 177.166 176.870 0.024 0.000 0.988 63 L CA 0.410 55.266 54.840 0.027 0.000 0.824 63 L CB 1.529 43.594 42.059 0.011 0.000 1.263 63 L HN 1.352 nan 8.230 nan 0.000 0.410 64 S N 2.718 118.432 115.700 0.024 0.000 3.348 64 S HA -0.092 4.374 4.470 -0.007 0.000 0.366 64 S C 1.116 175.726 174.600 0.018 0.000 0.953 64 S CA 1.157 59.368 58.200 0.019 0.000 1.255 64 S CB -2.369 60.840 63.200 0.014 0.000 0.906 64 S HN 2.478 nan 8.310 nan 0.000 0.495 65 G N -0.291 108.523 108.800 0.023 0.000 2.179 65 G HA2 -0.340 3.616 3.960 -0.007 0.000 0.260 65 G HA3 -0.340 3.616 3.960 -0.007 0.000 0.260 65 G C -0.171 174.740 174.900 0.018 0.000 0.977 65 G CA 0.647 45.757 45.100 0.017 0.000 0.641 65 G HN 1.068 nan 8.290 nan 0.000 0.533 66 K N 1.114 121.528 120.400 0.022 0.000 2.323 66 K HA 0.526 4.841 4.320 -0.007 0.000 0.259 66 K C -0.101 176.516 176.600 0.028 0.000 0.947 66 K CA -0.401 55.897 56.287 0.019 0.000 0.819 66 K CB 0.853 33.361 32.500 0.012 0.000 1.109 66 K HN 0.010 nan 8.250 nan 0.000 0.429 67 T N 5.143 119.713 114.554 0.026 0.000 2.867 67 T HA 0.091 4.437 4.350 -0.007 0.000 0.297 67 T C 1.304 176.021 174.700 0.028 0.000 0.989 67 T CA 0.003 62.122 62.100 0.032 0.000 1.159 67 T CB 0.058 68.934 68.868 0.014 0.000 0.928 67 T HN 0.670 nan 8.240 nan 0.000 0.538 68 I N -0.043 120.559 120.570 0.053 0.000 4.187 68 I HA 0.562 4.727 4.170 -0.007 0.000 0.326 68 I C -0.051 176.140 176.117 0.123 0.000 1.302 68 I CA -0.193 61.143 61.300 0.060 0.000 1.196 68 I CB 0.534 38.563 38.000 0.049 0.000 1.095 68 I HN 0.406 nan 8.210 nan 0.000 0.411 69 F N 2.295 122.229 119.950 -0.027 0.000 2.596 69 F HA 0.704 5.227 4.527 -0.006 0.000 0.311 69 F C -0.575 175.213 175.800 -0.020 0.000 1.116 69 F CA -0.024 57.959 58.000 -0.030 0.000 0.957 69 F CB 1.870 40.844 39.000 -0.043 0.000 1.250 69 F HN 0.244 nan 8.300 nan 0.000 0.444 70 S N 3.817 118.944 115.700 -0.955 0.000 2.655 70 S HA 0.272 4.738 4.470 -0.007 0.000 0.263 70 S C -0.342 173.892 174.600 -0.611 0.000 1.091 70 S CA -0.994 56.887 58.200 -0.532 0.000 0.865 70 S CB 1.111 64.195 63.200 -0.194 0.000 1.146 70 S HN 0.487 nan 8.310 nan 0.000 0.482 71 K N 1.512 121.735 120.400 -0.295 0.000 2.286 71 K HA -0.101 4.215 4.320 -0.007 0.000 0.203 71 K C 0.879 177.354 176.600 -0.208 0.000 1.045 71 K CA 2.166 58.324 56.287 -0.215 0.000 0.935 71 K CB -1.033 31.401 32.500 -0.109 0.000 0.737 71 K HN 0.818 nan 8.250 nan 0.000 0.460 72 N N -1.463 117.111 118.700 -0.209 0.000 2.305 72 N HA 0.016 4.752 4.740 -0.007 0.000 0.248 72 N C -0.585 174.829 175.510 -0.160 0.000 1.290 72 N CA -0.386 52.572 53.050 -0.154 0.000 0.873 72 N CB 0.904 39.333 38.487 -0.097 0.000 1.261 72 N HN -0.123 nan 8.380 nan 0.000 0.504 73 T N -0.345 114.061 114.554 -0.246 0.000 2.923 73 T HA 0.535 4.881 4.350 -0.007 0.000 0.311 73 T C -2.196 172.352 174.700 -0.253 0.000 1.183 73 T CA -0.651 61.336 62.100 -0.189 0.000 1.020 73 T CB 1.161 69.954 68.868 -0.125 0.000 1.165 73 T HN 0.126 nan 8.240 nan 0.000 0.482 74 N N 3.970 122.618 118.700 -0.087 0.000 2.976 74 N HA 0.247 4.983 4.740 -0.007 0.000 0.220 74 N C -1.246 174.297 175.510 0.056 0.000 1.428 74 N CA -0.351 52.731 53.050 0.053 0.000 0.748 74 N CB 0.179 38.720 38.487 0.090 0.000 1.484 74 N HN 0.648 nan 8.380 nan 0.000 0.578 75 L N 2.122 123.376 121.223 0.052 0.000 2.426 75 L HA 0.459 4.795 4.340 -0.007 0.000 0.271 75 L C -1.601 175.270 176.870 0.003 0.000 1.169 75 L CA -1.471 53.380 54.840 0.017 0.000 0.836 75 L CB 0.205 42.269 42.059 0.008 0.000 1.112 75 L HN 0.278 nan 8.230 nan 0.000 0.465 76 P HA -0.005 nan 4.420 nan 0.000 0.270 76 P C 0.993 178.251 177.300 -0.070 0.000 1.223 76 P CA -0.358 62.721 63.100 -0.035 0.000 0.785 76 P CB 0.646 32.333 31.700 -0.021 0.000 0.923 77 V N 2.398 122.234 119.914 -0.130 0.000 2.317 77 V HA -0.289 3.827 4.120 -0.007 0.000 0.251 77 V C 2.363 178.397 176.094 -0.101 0.000 1.065 77 V CA 1.906 64.085 62.300 -0.202 0.000 1.049 77 V CB -0.925 30.674 31.823 -0.372 0.000 0.651 77 V HN 0.585 nan 8.190 nan 0.000 0.450 78 R N -0.275 120.193 120.500 -0.054 0.000 2.193 78 R HA -0.114 4.222 4.340 -0.007 0.000 0.229 78 R C 1.701 177.991 176.300 -0.017 0.000 1.110 78 R CA 0.945 57.034 56.100 -0.019 0.000 0.988 78 R CB -0.108 30.190 30.300 -0.004 0.000 0.871 78 R HN 0.546 nan 8.270 nan 0.000 0.458 79 E N 0.370 120.556 120.200 -0.024 0.000 2.444 79 E HA 0.049 4.395 4.350 -0.007 0.000 0.191 79 E C -0.215 176.376 176.600 -0.016 0.000 1.041 79 E CA 0.127 56.518 56.400 -0.015 0.000 0.883 79 E CB 0.462 30.155 29.700 -0.012 0.000 1.024 79 E HN 0.200 nan 8.360 nan 0.000 0.470 80 R N 1.215 121.700 120.500 -0.026 0.000 2.239 80 R HA 0.304 4.639 4.340 -0.007 0.000 0.332 80 R C 0.215 176.507 176.300 -0.013 0.000 0.988 80 R CA -0.405 55.680 56.100 -0.025 0.000 0.859 80 R CB 1.362 31.633 30.300 -0.048 0.000 1.148 80 R HN -0.229 nan 8.270 nan 0.000 0.482 81 R N 4.431 124.927 120.500 -0.006 0.000 2.893 81 R HA 0.108 4.444 4.340 -0.007 0.000 0.243 81 R C -0.799 175.503 176.300 0.002 0.000 1.481 81 R CA -0.028 56.072 56.100 0.001 0.000 1.250 81 R CB -0.248 30.053 30.300 0.002 0.000 1.213 81 R HN 0.345 nan 8.270 nan 0.000 0.609 82 L N -1.929 119.300 121.223 0.009 0.000 2.540 82 L HA 0.730 5.066 4.340 -0.007 0.000 0.256 82 L C -0.290 176.606 176.870 0.044 0.000 1.001 82 L CA -1.035 53.813 54.840 0.014 0.000 0.843 82 L CB 1.315 43.371 42.059 -0.005 0.000 1.436 82 L HN 0.151 nan 8.230 nan 0.000 0.410 83 G N -0.048 108.777 108.800 0.042 0.000 2.412 83 G HA2 0.556 4.512 3.960 -0.007 0.000 0.318 83 G HA3 0.556 4.512 3.960 -0.007 0.000 0.318 83 G C -2.005 172.976 174.900 0.136 0.000 1.146 83 G CA -0.318 44.825 45.100 0.070 0.000 0.882 83 G HN 0.955 nan 8.290 nan 0.000 0.501 84 Y N 2.564 122.856 120.300 -0.014 0.000 2.294 84 Y HA 0.400 4.946 4.550 -0.007 0.000 0.329 84 Y C -1.441 174.429 175.900 -0.051 0.000 1.135 84 Y CA -1.816 56.270 58.100 -0.024 0.000 1.213 84 Y CB 1.159 39.655 38.460 0.060 0.000 1.141 84 Y HN 0.499 nan 8.280 nan 0.000 0.446 85 L N 7.153 128.320 121.223 -0.092 0.000 2.325 85 L HA 0.479 4.815 4.340 -0.007 0.000 0.284 85 L C -0.761 175.858 176.870 -0.418 0.000 1.089 85 L CA -0.017 54.662 54.840 -0.268 0.000 0.836 85 L CB 0.391 42.333 42.059 -0.196 0.000 1.184 85 L HN 0.438 nan 8.230 nan 0.000 0.444 86 V N 5.824 125.347 119.914 -0.652 0.000 2.811 86 V HA -0.022 4.093 4.120 -0.007 0.000 0.302 86 V C 1.417 177.346 176.094 -0.276 0.000 1.063 86 V CA 0.227 62.153 62.300 -0.623 0.000 1.088 86 V CB 1.302 32.731 31.823 -0.657 0.000 0.982 86 V HN 0.988 nan 8.190 nan 0.000 0.485 87 Q N 2.337 122.048 119.800 -0.148 0.000 2.077 87 Q HA -0.244 4.092 4.340 -0.007 0.000 0.206 87 Q C 1.675 177.611 176.000 -0.106 0.000 0.989 87 Q CA 2.350 58.101 55.803 -0.088 0.000 0.853 87 Q CB 0.078 28.797 28.738 -0.031 0.000 0.907 87 Q HN 0.869 nan 8.270 nan 0.000 0.418 88 E N -0.100 120.022 120.200 -0.131 0.000 2.209 88 E HA -0.059 4.287 4.350 -0.007 0.000 0.196 88 E C 1.032 177.544 176.600 -0.146 0.000 0.993 88 E CA 0.901 57.223 56.400 -0.130 0.000 0.819 88 E CB -0.619 28.991 29.700 -0.150 0.000 0.745 88 E HN 0.590 nan 8.360 nan 0.000 0.477 89 G N 0.858 109.546 108.800 -0.187 0.000 2.422 89 G HA2 -0.303 3.653 3.960 -0.007 0.000 0.301 89 G HA3 -0.303 3.653 3.960 -0.007 0.000 0.301 89 G C 0.132 174.915 174.900 -0.195 0.000 0.981 89 G CA 0.362 45.347 45.100 -0.193 0.000 0.994 89 G HN 0.199 nan 8.290 nan 0.000 0.514 90 V N 0.848 120.625 119.914 -0.229 0.000 2.485 90 V HA 0.271 4.386 4.120 -0.007 0.000 0.287 90 V C 1.223 177.124 176.094 -0.321 0.000 1.022 90 V CA 0.104 62.263 62.300 -0.234 0.000 1.067 90 V CB 0.776 32.463 31.823 -0.227 0.000 0.967 90 V HN 0.383 nan 8.190 nan 0.000 0.479 91 L N 4.775 125.842 121.223 -0.261 0.000 2.399 91 L HA 0.512 4.848 4.340 -0.007 0.000 0.265 91 L C -0.079 176.613 176.870 -0.298 0.000 1.089 91 L CA -0.507 54.157 54.840 -0.293 0.000 0.802 91 L CB 0.825 42.806 42.059 -0.129 0.000 1.180 91 L HN 0.423 nan 8.230 nan 0.000 0.454 92 F N 2.190 122.075 119.950 -0.109 0.000 2.533 92 F HA 0.107 4.630 4.527 -0.006 0.000 0.378 92 F C -1.191 174.588 175.800 -0.035 0.000 1.070 92 F CA -1.228 56.722 58.000 -0.084 0.000 1.172 92 F CB 0.238 39.175 39.000 -0.104 0.000 1.085 92 F HN 0.377 nan 8.300 nan 0.000 0.552 93 P HA -0.157 nan 4.420 nan 0.000 0.220 93 P C 0.427 177.655 177.300 -0.120 0.000 1.148 93 P CA 1.695 64.738 63.100 -0.095 0.000 0.803 93 P CB 0.033 31.548 31.700 -0.309 0.000 0.782 94 H N -2.007 117.178 119.070 0.192 0.000 2.520 94 H HA 0.301 4.853 4.556 -0.007 0.000 0.284 94 H C 0.498 176.004 175.328 0.296 0.000 1.037 94 H CA -0.315 55.823 56.048 0.150 0.000 1.168 94 H CB -0.159 29.638 29.762 0.057 0.000 1.497 94 H HN 0.053 nan 8.280 nan 0.000 0.547 95 L N 0.449 121.915 121.223 0.406 0.000 2.334 95 L HA 0.304 4.640 4.340 -0.007 0.000 0.276 95 L C 0.493 177.487 176.870 0.207 0.000 1.014 95 L CA -0.751 54.290 54.840 0.335 0.000 0.815 95 L CB 1.948 44.137 42.059 0.217 0.000 1.268 95 L HN 0.054 nan 8.230 nan 0.000 0.428 96 T N 0.648 115.158 114.554 -0.073 0.000 2.795 96 T HA 0.007 4.353 4.350 -0.007 0.000 0.314 96 T C 1.433 176.077 174.700 -0.094 0.000 1.069 96 T CA -0.366 61.505 62.100 -0.381 0.000 1.071 96 T CB 1.276 69.977 68.868 -0.279 0.000 0.988 96 T HN 0.364 nan 8.240 nan 0.000 0.543 97 V N 1.808 121.663 119.914 -0.099 0.000 2.282 97 V HA -0.196 3.920 4.120 -0.007 0.000 0.249 97 V C 1.840 177.958 176.094 0.040 0.000 1.057 97 V CA 1.926 64.216 62.300 -0.016 0.000 1.032 97 V CB -0.906 30.905 31.823 -0.020 0.000 0.645 97 V HN 0.887 nan 8.190 nan 0.000 0.447 98 Y N 0.966 121.231 120.300 -0.058 0.000 2.128 98 Y HA -0.238 4.308 4.550 -0.007 0.000 0.284 98 Y C 2.748 178.655 175.900 0.011 0.000 1.154 98 Y CA 1.833 59.919 58.100 -0.024 0.000 1.149 98 Y CB -0.117 38.321 38.460 -0.036 0.000 0.976 98 Y HN 0.036 nan 8.280 nan 0.000 0.505 99 R N 0.484 121.086 120.500 0.170 0.000 2.148 99 R HA -0.123 4.213 4.340 -0.007 0.000 0.223 99 R C 1.882 178.249 176.300 0.112 0.000 1.088 99 R CA 0.917 57.093 56.100 0.127 0.000 0.985 99 R CB -0.849 29.550 30.300 0.165 0.000 0.880 99 R HN 0.522 nan 8.270 nan 0.000 0.451 100 N N 0.976 119.742 118.700 0.109 0.000 2.084 100 N HA -0.105 4.631 4.740 -0.007 0.000 0.190 100 N C 1.941 177.515 175.510 0.107 0.000 1.030 100 N CA 1.205 54.344 53.050 0.147 0.000 0.849 100 N CB -0.102 38.437 38.487 0.086 0.000 1.012 100 N HN 0.208 nan 8.380 nan 0.000 0.423 101 I N 1.071 121.642 120.570 0.001 0.000 2.394 101 I HA -0.171 3.995 4.170 -0.007 0.000 0.251 101 I C 2.261 178.339 176.117 -0.065 0.000 1.136 101 I CA 0.607 61.880 61.300 -0.044 0.000 1.425 101 I CB -0.225 37.712 38.000 -0.105 0.000 1.079 101 I HN 0.044 nan 8.210 nan 0.000 0.425 102 A N -0.043 122.701 122.820 -0.128 0.000 2.066 102 A HA -0.230 4.086 4.320 -0.007 0.000 0.218 102 A C 2.198 179.789 177.584 0.011 0.000 1.157 102 A CA 0.819 52.780 52.037 -0.127 0.000 0.670 102 A CB -0.823 18.062 19.000 -0.191 0.000 0.804 102 A HN 0.499 nan 8.150 nan 0.000 0.453 103 Y N 0.866 121.157 120.300 -0.015 0.000 2.114 103 Y HA -0.196 4.350 4.550 -0.007 0.000 0.282 103 Y C 2.193 178.111 175.900 0.029 0.000 1.165 103 Y CA 1.750 59.869 58.100 0.031 0.000 1.148 103 Y CB -0.481 38.068 38.460 0.148 0.000 0.972 103 Y HN 0.246 nan 8.280 nan 0.000 0.504 104 G N -0.357 108.472 108.800 0.048 0.000 3.088 104 G HA2 0.172 4.128 3.960 -0.007 0.000 0.212 104 G HA3 0.172 4.128 3.960 -0.007 0.000 0.212 104 G C -0.125 174.736 174.900 -0.066 0.000 1.173 104 G CA -0.270 44.805 45.100 -0.041 0.000 0.779 104 G HN 0.215 nan 8.290 nan 0.000 0.540 105 L N 0.648 121.828 121.223 -0.072 0.000 2.282 105 L HA 0.554 4.890 4.340 -0.007 0.000 0.288 105 L C 1.432 178.257 176.870 -0.075 0.000 1.033 105 L CA -0.227 54.577 54.840 -0.061 0.000 0.807 105 L CB 1.289 43.319 42.059 -0.049 0.000 1.209 105 L HN 0.301 nan 8.230 nan 0.000 0.423 106 G N 3.707 112.470 108.800 -0.063 0.000 2.652 106 G HA2 -0.454 3.502 3.960 -0.007 0.000 0.318 106 G HA3 -0.454 3.502 3.960 -0.007 0.000 0.318 106 G C 0.712 175.562 174.900 -0.084 0.000 1.295 106 G CA 0.860 45.925 45.100 -0.059 0.000 0.999 106 G HN 0.989 nan 8.290 nan 0.000 0.548 107 N N 2.103 120.763 118.700 -0.067 0.000 2.521 107 N HA 0.344 5.080 4.740 -0.007 0.000 0.188 107 N C 1.764 177.213 175.510 -0.103 0.000 1.146 107 N CA 1.729 54.734 53.050 -0.076 0.000 0.893 107 N CB -0.017 38.444 38.487 -0.043 0.000 0.975 107 N HN 2.349 nan 8.380 nan 0.000 0.451 108 G N -0.063 108.668 108.800 -0.114 0.000 2.194 108 G HA2 -0.318 3.638 3.960 -0.007 0.000 0.236 108 G HA3 -0.318 3.638 3.960 -0.007 0.000 0.236 108 G C 0.858 175.743 174.900 -0.025 0.000 0.987 108 G CA 0.411 45.431 45.100 -0.134 0.000 0.635 108 G HN 0.480 nan 8.290 nan 0.000 0.520 109 K N 0.282 120.680 120.400 -0.004 0.000 2.379 109 K HA 0.403 4.718 4.320 -0.007 0.000 0.194 109 K C 1.818 178.472 176.600 0.089 0.000 1.031 109 K CA 0.473 56.788 56.287 0.046 0.000 1.037 109 K CB 0.257 32.778 32.500 0.036 0.000 0.824 109 K HN 1.254 nan 8.250 nan 0.000 0.516 110 G N 2.435 111.267 108.800 0.053 0.000 2.225 110 G HA2 -0.331 3.625 3.960 -0.007 0.000 0.267 110 G HA3 -0.331 3.625 3.960 -0.007 0.000 0.267 110 G C 0.602 175.617 174.900 0.192 0.000 1.024 110 G CA 0.614 45.768 45.100 0.089 0.000 0.784 110 G HN 0.346 nan 8.290 nan 0.000 0.507 111 R N -0.177 120.389 120.500 0.111 0.000 2.240 111 R HA 0.130 4.466 4.340 -0.007 0.000 0.203 111 R C 1.827 178.167 176.300 0.066 0.000 1.011 111 R CA 1.081 57.233 56.100 0.087 0.000 1.007 111 R CB 0.043 30.375 30.300 0.053 0.000 0.911 111 R HN 0.609 nan 8.270 nan 0.000 0.468 112 T N -2.928 111.660 114.554 0.057 0.000 2.913 112 T HA 0.425 4.771 4.350 -0.007 0.000 0.287 112 T C 1.316 176.045 174.700 0.048 0.000 1.008 112 T CA -0.330 61.794 62.100 0.040 0.000 1.067 112 T CB 1.975 70.858 68.868 0.024 0.000 0.996 112 T HN 0.053 nan 8.240 nan 0.000 0.513 113 A N 0.823 123.665 122.820 0.036 0.000 1.972 113 A HA -0.093 4.223 4.320 -0.007 0.000 0.219 113 A C 2.363 179.970 177.584 0.038 0.000 1.169 113 A CA 1.817 53.877 52.037 0.038 0.000 0.635 113 A CB -1.013 18.003 19.000 0.026 0.000 0.810 113 A HN 0.990 nan 8.150 nan 0.000 0.446 114 Q N -0.328 119.489 119.800 0.027 0.000 2.123 114 Q HA -0.177 4.159 4.340 -0.007 0.000 0.199 114 Q C 1.796 177.808 176.000 0.019 0.000 0.966 114 Q CA 1.541 57.356 55.803 0.020 0.000 0.845 114 Q CB -0.131 28.614 28.738 0.012 0.000 0.907 114 Q HN 0.771 nan 8.270 nan 0.000 0.439 115 E N 0.342 120.553 120.200 0.020 0.000 2.051 115 E HA -0.232 4.114 4.350 -0.007 0.000 0.192 115 E C 2.080 178.694 176.600 0.024 0.000 0.991 115 E CA 1.144 57.548 56.400 0.006 0.000 0.799 115 E CB -0.161 29.541 29.700 0.003 0.000 0.748 115 E HN 0.258 nan 8.360 nan 0.000 0.449 116 R N 1.151 121.706 120.500 0.092 0.000 2.096 116 R HA -0.262 4.074 4.340 -0.007 0.000 0.240 116 R C 2.452 178.814 176.300 0.105 0.000 1.139 116 R CA 2.097 58.298 56.100 0.168 0.000 0.952 116 R CB -0.128 30.272 30.300 0.166 0.000 0.854 116 R HN 0.198 nan 8.270 nan 0.000 0.436 117 Q N -0.190 119.646 119.800 0.061 0.000 2.119 117 Q HA -0.222 4.114 4.340 -0.007 0.000 0.201 117 Q C 2.077 178.094 176.000 0.028 0.000 0.972 117 Q CA 1.558 57.387 55.803 0.044 0.000 0.847 117 Q CB -0.057 28.699 28.738 0.031 0.000 0.903 117 Q HN 0.119 nan 8.270 nan 0.000 0.433 118 R N 0.696 121.204 120.500 0.013 0.000 2.075 118 R HA -0.039 4.297 4.340 -0.007 0.000 0.232 118 R C 1.959 178.250 176.300 -0.015 0.000 1.126 118 R CA 1.601 57.700 56.100 -0.001 0.000 0.963 118 R CB -0.534 29.759 30.300 -0.011 0.000 0.858 118 R HN 0.444 nan 8.270 nan 0.000 0.435 119 I N 0.300 120.845 120.570 -0.041 0.000 2.179 119 I HA -0.225 3.941 4.170 -0.007 0.000 0.242 119 I C 2.004 178.118 176.117 -0.006 0.000 1.088 119 I CA 1.653 62.900 61.300 -0.088 0.000 1.357 119 I CB -0.339 37.480 38.000 -0.302 0.000 1.051 119 I HN 0.274 nan 8.210 nan 0.000 0.409 120 E N 0.903 121.135 120.200 0.052 0.000 2.153 120 E HA -0.205 4.141 4.350 -0.007 0.000 0.194 120 E C 2.313 178.935 176.600 0.036 0.000 0.988 120 E CA 1.224 57.663 56.400 0.065 0.000 0.811 120 E CB -0.163 29.583 29.700 0.077 0.000 0.746 120 E HN 0.525 nan 8.360 nan 0.000 0.466 121 A N 0.827 123.662 122.820 0.026 0.000 1.969 121 A HA -0.152 4.164 4.320 -0.007 0.000 0.218 121 A C 2.078 179.672 177.584 0.018 0.000 1.169 121 A CA 1.028 53.078 52.037 0.021 0.000 0.635 121 A CB -0.188 18.823 19.000 0.018 0.000 0.810 121 A HN 0.115 nan 8.150 nan 0.000 0.445 122 M N -0.440 119.167 119.600 0.011 0.000 2.175 122 M HA 0.003 4.479 4.480 -0.007 0.000 0.264 122 M C 2.069 178.378 176.300 0.015 0.000 1.063 122 M CA 1.141 56.447 55.300 0.011 0.000 1.119 122 M CB -1.287 31.311 32.600 -0.004 0.000 1.377 122 M HN 0.388 nan 8.290 nan 0.000 0.415 123 L N -0.362 120.872 121.223 0.018 0.000 2.056 123 L HA -0.188 4.148 4.340 -0.007 0.000 0.207 123 L C 2.296 179.178 176.870 0.021 0.000 1.078 123 L CA 1.146 55.999 54.840 0.023 0.000 0.749 123 L CB -0.560 41.522 42.059 0.039 0.000 0.901 123 L HN 0.340 nan 8.230 nan 0.000 0.433 124 E N 0.145 120.358 120.200 0.021 0.000 2.072 124 E HA -0.242 4.104 4.350 -0.007 0.000 0.191 124 E C 2.094 178.703 176.600 0.015 0.000 0.985 124 E CA 1.030 57.440 56.400 0.017 0.000 0.801 124 E CB -0.213 29.497 29.700 0.017 0.000 0.750 124 E HN 0.260 nan 8.360 nan 0.000 0.452 125 L N 1.323 122.557 121.223 0.018 0.000 2.042 125 L HA -0.159 4.177 4.340 -0.007 0.000 0.210 125 L C 2.293 179.174 176.870 0.019 0.000 1.076 125 L CA 2.382 57.234 54.840 0.020 0.000 0.749 125 L CB -0.677 41.400 42.059 0.030 0.000 0.893 125 L HN 0.201 nan 8.230 nan 0.000 0.432 126 T N -4.012 110.556 114.554 0.024 0.000 3.081 126 T HA 0.355 4.701 4.350 -0.007 0.000 0.250 126 T C 1.361 176.070 174.700 0.015 0.000 1.100 126 T CA 0.246 62.362 62.100 0.027 0.000 1.038 126 T CB -0.193 68.698 68.868 0.037 0.000 0.962 126 T HN 0.749 nan 8.240 nan 0.000 0.516 127 G N 2.543 111.349 108.800 0.010 0.000 2.160 127 G HA2 -0.217 3.739 3.960 -0.007 0.000 0.244 127 G HA3 -0.217 3.739 3.960 -0.007 0.000 0.244 127 G C 0.349 175.252 174.900 0.004 0.000 1.022 127 G CA 0.222 45.324 45.100 0.004 0.000 0.741 127 G HN 1.051 nan 8.290 nan 0.000 0.508 128 I N -3.488 117.087 120.570 0.008 0.000 3.707 128 I HA 0.434 4.600 4.170 -0.007 0.000 0.330 128 I C 1.549 177.672 176.117 0.010 0.000 1.572 128 I CA 0.243 61.547 61.300 0.006 0.000 1.104 128 I CB 0.485 38.488 38.000 0.005 0.000 1.240 128 I HN -0.085 nan 8.210 nan 0.000 0.475 129 S N 2.223 117.931 115.700 0.013 0.000 2.383 129 S HA -0.195 4.271 4.470 -0.007 0.000 0.229 129 S C 1.946 176.553 174.600 0.011 0.000 1.030 129 S CA 2.060 60.272 58.200 0.019 0.000 1.002 129 S CB -0.307 62.903 63.200 0.018 0.000 0.829 129 S HN 0.791 nan 8.310 nan 0.000 0.467 130 E N 1.677 121.878 120.200 0.002 0.000 2.478 130 E HA -0.073 4.273 4.350 -0.007 0.000 0.198 130 E C 1.042 177.635 176.600 -0.012 0.000 1.046 130 E CA 0.610 57.007 56.400 -0.006 0.000 0.870 130 E CB -0.311 29.384 29.700 -0.008 0.000 0.818 130 E HN 0.516 nan 8.360 nan 0.000 0.527 131 L N 0.215 121.432 121.223 -0.010 0.000 2.857 131 L HA 0.385 4.721 4.340 -0.007 0.000 0.249 131 L C 2.102 178.956 176.870 -0.026 0.000 1.172 131 L CA 0.223 55.050 54.840 -0.022 0.000 0.980 131 L CB 0.243 42.289 42.059 -0.022 0.000 1.299 131 L HN 0.019 nan 8.230 nan 0.000 0.535 132 A N 0.769 123.586 122.820 -0.005 0.000 1.978 132 A HA -0.101 4.215 4.320 -0.007 0.000 0.220 132 A C 2.123 179.692 177.584 -0.026 0.000 1.170 132 A CA 1.888 53.943 52.037 0.029 0.000 0.636 132 A CB -0.567 18.474 19.000 0.068 0.000 0.810 132 A HN 0.448 nan 8.150 nan 0.000 0.448 133 G N -1.423 107.329 108.800 -0.079 0.000 3.088 133 G HA2 0.180 4.136 3.960 -0.007 0.000 0.217 133 G HA3 0.180 4.136 3.960 -0.007 0.000 0.217 133 G C 0.662 175.427 174.900 -0.225 0.000 1.159 133 G CA -0.521 44.490 45.100 -0.148 0.000 0.760 133 G HN 0.243 nan 8.290 nan 0.000 0.550 134 R N 0.013 120.409 120.500 -0.173 0.000 2.694 134 R HA 0.243 4.579 4.340 -0.007 0.000 0.268 134 R C -0.729 175.385 176.300 -0.311 0.000 1.061 134 R CA -0.177 55.816 56.100 -0.179 0.000 1.133 134 R CB 0.304 30.543 30.300 -0.102 0.000 1.020 134 R HN 0.249 nan 8.270 nan 0.000 0.475 135 Y N 1.028 121.259 120.300 -0.115 0.000 2.432 135 Y HA 0.199 4.745 4.550 -0.007 0.000 0.322 135 Y C -1.114 174.696 175.900 -0.150 0.000 1.246 135 Y CA -2.154 55.888 58.100 -0.096 0.000 1.268 135 Y CB 0.577 39.006 38.460 -0.052 0.000 1.276 135 Y HN 0.428 nan 8.280 nan 0.000 0.499 136 P HA -0.167 nan 4.420 nan 0.000 0.220 136 P C 0.753 178.059 177.300 0.011 0.000 1.148 136 P CA 1.856 64.971 63.100 0.024 0.000 0.803 136 P CB -0.064 31.658 31.700 0.036 0.000 0.782 137 H N -1.256 117.839 119.070 0.043 0.000 2.559 137 H HA 0.096 4.648 4.556 -0.007 0.000 0.273 137 H C 0.971 176.317 175.328 0.030 0.000 1.000 137 H CA 0.791 56.849 56.048 0.016 0.000 1.195 137 H CB -0.904 28.854 29.762 -0.008 0.000 1.368 137 H HN 0.178 nan 8.280 nan 0.000 0.592 138 E N 0.691 120.678 120.200 -0.355 0.000 2.451 138 E HA 0.242 4.588 4.350 -0.007 0.000 0.194 138 E C -0.513 176.030 176.600 -0.095 0.000 1.027 138 E CA -0.170 56.085 56.400 -0.242 0.000 0.914 138 E CB 0.482 30.011 29.700 -0.286 0.000 1.054 138 E HN 0.466 nan 8.360 nan 0.000 0.461 139 L N 0.599 121.787 121.223 -0.058 0.000 2.341 139 L HA 0.332 4.668 4.340 -0.007 0.000 0.267 139 L C 0.551 177.412 176.870 -0.015 0.000 1.009 139 L CA -1.006 53.814 54.840 -0.033 0.000 0.819 139 L CB 1.874 43.914 42.059 -0.032 0.000 1.323 139 L HN -0.007 nan 8.230 nan 0.000 0.425 140 S N 0.391 116.085 115.700 -0.010 0.000 2.608 140 S HA 0.167 4.633 4.470 -0.007 0.000 0.261 140 S C 1.214 175.812 174.600 -0.003 0.000 1.314 140 S CA 0.030 58.228 58.200 -0.004 0.000 0.992 140 S CB 1.234 64.433 63.200 -0.002 0.000 0.935 140 S HN 0.802 nan 8.310 nan 0.000 0.564 141 G N 0.399 109.200 108.800 0.000 0.000 2.418 141 G HA2 0.023 3.979 3.960 -0.007 0.000 0.217 141 G HA3 0.023 3.979 3.960 -0.007 0.000 0.217 141 G C 1.295 176.197 174.900 0.003 0.000 1.158 141 G CA 0.566 45.666 45.100 0.000 0.000 0.771 141 G HN 1.019 nan 8.290 nan 0.000 0.545 142 G N -0.287 108.519 108.800 0.009 0.000 2.464 142 G HA2 -0.002 3.954 3.960 -0.007 0.000 0.217 142 G HA3 -0.002 3.954 3.960 -0.007 0.000 0.217 142 G C 1.750 176.659 174.900 0.014 0.000 1.138 142 G CA 0.726 45.837 45.100 0.018 0.000 0.793 142 G HN 0.503 nan 8.290 nan 0.000 0.539 143 Q N -0.150 119.652 119.800 0.004 0.000 2.083 143 Q HA -0.052 4.284 4.340 -0.007 0.000 0.198 143 Q C 2.682 178.678 176.000 -0.008 0.000 0.969 143 Q CA 1.092 56.894 55.803 -0.001 0.000 0.838 143 Q CB -0.122 28.611 28.738 -0.008 0.000 0.900 143 Q HN 0.515 nan 8.270 nan 0.000 0.436 144 Q N 0.611 120.403 119.800 -0.013 0.000 2.061 144 Q HA -0.255 4.081 4.340 -0.007 0.000 0.204 144 Q C 2.116 178.098 176.000 -0.029 0.000 0.984 144 Q CA 1.523 57.311 55.803 -0.025 0.000 0.846 144 Q CB -0.109 28.612 28.738 -0.029 0.000 0.902 144 Q HN 0.366 nan 8.270 nan 0.000 0.421 145 Q N 0.713 120.503 119.800 -0.017 0.000 2.096 145 Q HA -0.211 4.124 4.340 -0.007 0.000 0.204 145 Q C 1.968 177.968 176.000 -0.000 0.000 0.982 145 Q CA 1.462 57.256 55.803 -0.014 0.000 0.850 145 Q CB 0.108 28.854 28.738 0.012 0.000 0.901 145 Q HN 0.252 nan 8.270 nan 0.000 0.422 146 R N -0.540 119.971 120.500 0.019 0.000 2.090 146 R HA -0.043 4.293 4.340 -0.007 0.000 0.228 146 R C 2.298 178.603 176.300 0.008 0.000 1.110 146 R CA 0.924 57.043 56.100 0.031 0.000 0.973 146 R CB -0.261 30.062 30.300 0.038 0.000 0.869 146 R HN 0.279 nan 8.270 nan 0.000 0.440 147 A N 1.280 124.095 122.820 -0.008 0.000 1.902 147 A HA -0.119 4.197 4.320 -0.007 0.000 0.217 147 A C 2.347 179.910 177.584 -0.035 0.000 1.181 147 A CA 1.699 53.725 52.037 -0.019 0.000 0.623 147 A CB -0.591 18.395 19.000 -0.024 0.000 0.818 147 A HN 0.387 nan 8.150 nan 0.000 0.443 148 A N -0.518 122.269 122.820 -0.055 0.000 1.930 148 A HA 0.008 4.324 4.320 -0.007 0.000 0.217 148 A C 2.117 179.655 177.584 -0.077 0.000 1.175 148 A CA 1.666 53.650 52.037 -0.088 0.000 0.627 148 A CB -0.589 18.338 19.000 -0.120 0.000 0.815 148 A HN 0.711 nan 8.150 nan 0.000 0.443 149 L N -0.039 121.151 121.223 -0.055 0.000 2.017 149 L HA -0.076 4.260 4.340 -0.007 0.000 0.208 149 L C 2.638 179.495 176.870 -0.022 0.000 1.073 149 L CA 2.339 57.153 54.840 -0.044 0.000 0.745 149 L CB -0.934 41.128 42.059 0.006 0.000 0.894 149 L HN 0.331 nan 8.230 nan 0.000 0.432 150 A N -0.222 122.594 122.820 -0.007 0.000 1.908 150 A HA -0.286 4.030 4.320 -0.007 0.000 0.218 150 A C 2.562 180.138 177.584 -0.013 0.000 1.181 150 A CA 1.986 54.020 52.037 -0.004 0.000 0.627 150 A CB -0.744 18.254 19.000 -0.004 0.000 0.818 150 A HN 0.569 nan 8.150 nan 0.000 0.445 151 R N -0.419 120.070 120.500 -0.019 0.000 2.096 151 R HA -0.084 4.252 4.340 -0.007 0.000 0.235 151 R C 2.205 178.507 176.300 0.003 0.000 1.127 151 R CA 1.484 57.582 56.100 -0.002 0.000 0.968 151 R CB -0.388 29.908 30.300 -0.006 0.000 0.861 151 R HN 0.430 nan 8.270 nan 0.000 0.440 152 A N 0.574 123.379 122.820 -0.025 0.000 1.929 152 A HA -0.084 4.232 4.320 -0.007 0.000 0.216 152 A C 1.968 179.541 177.584 -0.018 0.000 1.176 152 A CA 0.842 52.862 52.037 -0.029 0.000 0.628 152 A CB -0.305 18.651 19.000 -0.073 0.000 0.816 152 A HN 0.354 nan 8.150 nan 0.000 0.444 153 L N -0.833 120.379 121.223 -0.018 0.000 2.270 153 L HA 0.118 4.454 4.340 -0.007 0.000 0.210 153 L C 2.722 179.591 176.870 -0.000 0.000 1.104 153 L CA 1.208 56.043 54.840 -0.008 0.000 0.804 153 L CB -0.417 41.646 42.059 0.005 0.000 0.937 153 L HN 0.362 nan 8.230 nan 0.000 0.450 154 A N 0.924 123.743 122.820 -0.002 0.000 1.873 154 A HA -0.162 4.154 4.320 -0.007 0.000 0.218 154 A C -0.267 177.314 177.584 -0.004 0.000 1.193 154 A CA 2.175 54.208 52.037 -0.007 0.000 0.629 154 A CB -2.083 16.906 19.000 -0.017 0.000 0.826 154 A HN 0.388 nan 8.150 nan 0.000 0.447 155 P HA 0.041 nan 4.420 nan 0.000 0.237 155 P C -0.258 177.043 177.300 0.003 0.000 1.178 155 P CA 1.074 64.174 63.100 0.000 0.000 0.766 155 P CB -0.143 31.561 31.700 0.006 0.000 0.876 156 D N -0.610 119.792 120.400 0.004 0.000 2.737 156 D HA -0.099 4.537 4.640 -0.007 0.000 0.238 156 D C -1.954 174.351 176.300 0.007 0.000 1.157 156 D CA 0.070 54.074 54.000 0.007 0.000 0.694 156 D CB -0.875 39.931 40.800 0.010 0.000 1.021 156 D HN 0.219 nan 8.370 nan 0.000 0.420 157 P HA 0.031 nan 4.420 nan 0.000 0.270 157 P C 0.946 178.249 177.300 0.005 0.000 1.223 157 P CA -0.140 62.964 63.100 0.006 0.000 0.785 157 P CB 0.750 32.454 31.700 0.006 0.000 0.923 158 E N -0.125 120.079 120.200 0.007 0.000 2.204 158 E HA -0.067 4.279 4.350 -0.007 0.000 0.194 158 E C 0.454 177.058 176.600 0.007 0.000 0.989 158 E CA 0.884 57.290 56.400 0.010 0.000 0.824 158 E CB -0.069 29.637 29.700 0.010 0.000 0.756 158 E HN 0.272 nan 8.360 nan 0.000 0.477 159 L N 0.474 121.696 121.223 -0.001 0.000 2.385 159 L HA 0.500 4.836 4.340 -0.007 0.000 0.273 159 L C -1.032 175.822 176.870 -0.027 0.000 0.990 159 L CA -0.526 54.306 54.840 -0.013 0.000 0.821 159 L CB 1.835 43.885 42.059 -0.014 0.000 1.279 159 L HN -0.157 nan 8.230 nan 0.000 0.412 160 I N 5.124 125.659 120.570 -0.059 0.000 2.545 160 I HA 0.483 4.649 4.170 -0.007 0.000 0.292 160 I C -1.542 174.481 176.117 -0.155 0.000 1.040 160 I CA -0.726 60.521 61.300 -0.088 0.000 1.068 160 I CB 1.699 39.637 38.000 -0.104 0.000 1.251 160 I HN 0.563 nan 8.210 nan 0.000 0.424 161 L N 8.138 129.296 121.223 -0.108 0.000 2.298 161 L HA 0.491 4.827 4.340 -0.007 0.000 0.284 161 L C -1.150 175.648 176.870 -0.121 0.000 1.013 161 L CA -0.665 54.098 54.840 -0.129 0.000 0.824 161 L CB 1.401 43.404 42.059 -0.093 0.000 1.221 161 L HN 0.473 nan 8.230 nan 0.000 0.418 162 L N 3.333 124.355 121.223 -0.334 0.000 2.318 162 L HA 0.368 4.704 4.340 -0.007 0.000 0.277 162 L C -0.435 176.283 176.870 -0.253 0.000 1.008 162 L CA -0.352 54.260 54.840 -0.380 0.000 0.846 162 L CB 1.692 43.288 42.059 -0.772 0.000 1.220 162 L HN 0.437 nan 8.230 nan 0.000 0.423 163 D N 5.220 125.555 120.400 -0.108 0.000 2.456 163 D HA 0.084 4.720 4.640 -0.007 0.000 0.219 163 D C -0.003 176.255 176.300 -0.070 0.000 1.126 163 D CA 0.020 54.000 54.000 -0.034 0.000 0.890 163 D CB 0.480 41.331 40.800 0.085 0.000 1.025 163 D HN 0.394 nan 8.370 nan 0.000 0.511 164 E N 2.605 122.767 120.200 -0.062 0.000 2.252 164 E HA -0.160 4.186 4.350 -0.007 0.000 0.199 164 E C -1.742 174.769 176.600 -0.149 0.000 1.352 164 E CA 0.164 56.538 56.400 -0.044 0.000 0.682 164 E CB -0.625 29.107 29.700 0.053 0.000 1.142 164 E HN 0.542 nan 8.360 nan 0.000 0.367 165 P HA -0.060 nan 4.420 nan 0.000 0.233 165 P C 0.819 177.913 177.300 -0.343 0.000 1.167 165 P CA 0.987 63.788 63.100 -0.497 0.000 0.770 165 P CB 0.008 31.178 31.700 -0.883 0.000 0.837 166 F N -0.732 119.244 119.950 0.042 0.000 2.781 166 F HA 0.134 4.657 4.527 -0.007 0.000 0.322 166 F C 1.997 177.802 175.800 0.009 0.000 1.108 166 F CA -0.221 57.794 58.000 0.025 0.000 1.179 166 F CB 0.037 39.056 39.000 0.032 0.000 1.072 166 F HN -0.160 nan 8.300 nan 0.000 0.545 167 S N 0.376 116.161 115.700 0.142 0.000 2.481 167 S HA 0.001 4.467 4.470 -0.007 0.000 0.231 167 S C 1.716 176.369 174.600 0.089 0.000 0.996 167 S CA 0.710 58.969 58.200 0.098 0.000 0.942 167 S CB -0.089 63.179 63.200 0.113 0.000 0.768 167 S HN 0.249 nan 8.310 nan 0.000 0.520 168 A N 0.686 123.555 122.820 0.083 0.000 2.308 168 A HA 0.554 4.870 4.320 -0.007 0.000 0.217 168 A C 0.511 178.127 177.584 0.054 0.000 1.216 168 A CA -0.363 51.710 52.037 0.059 0.000 0.864 168 A CB -0.151 18.874 19.000 0.041 0.000 0.902 168 A HN 0.514 nan 8.150 nan 0.000 0.499 169 L N 1.826 123.090 121.223 0.068 0.000 2.309 169 L HA 0.276 4.612 4.340 -0.007 0.000 0.282 169 L C -0.206 176.676 176.870 0.021 0.000 1.036 169 L CA -1.064 53.803 54.840 0.046 0.000 0.806 169 L CB 1.224 43.319 42.059 0.059 0.000 1.220 169 L HN 0.409 nan 8.230 nan 0.000 0.429 170 D N 1.340 121.743 120.400 0.005 0.000 2.378 170 D HA -0.112 4.524 4.640 -0.007 0.000 0.238 170 D C 0.613 176.901 176.300 -0.020 0.000 1.180 170 D CA -0.300 53.696 54.000 -0.005 0.000 0.895 170 D CB 1.560 42.354 40.800 -0.009 0.000 1.192 170 D HN 0.604 nan 8.370 nan 0.000 0.438 171 E N 0.733 120.920 120.200 -0.022 0.000 2.058 171 E HA -0.273 4.072 4.350 -0.007 0.000 0.194 171 E C 2.141 178.711 176.600 -0.049 0.000 0.997 171 E CA 1.862 58.242 56.400 -0.034 0.000 0.801 171 E CB -0.060 29.623 29.700 -0.027 0.000 0.746 171 E HN 0.578 nan 8.360 nan 0.000 0.450 172 Q N -0.634 119.140 119.800 -0.043 0.000 2.124 172 Q HA -0.132 4.204 4.340 -0.007 0.000 0.202 172 Q C 2.169 178.132 176.000 -0.062 0.000 0.977 172 Q CA 1.250 57.024 55.803 -0.049 0.000 0.850 172 Q CB -0.187 28.526 28.738 -0.042 0.000 0.901 172 Q HN 0.282 nan 8.270 nan 0.000 0.429 173 L N 0.918 122.106 121.223 -0.058 0.000 2.027 173 L HA -0.172 4.164 4.340 -0.007 0.000 0.206 173 L C 2.340 179.140 176.870 -0.116 0.000 1.074 173 L CA 1.853 56.654 54.840 -0.065 0.000 0.745 173 L CB -0.451 41.584 42.059 -0.039 0.000 0.898 173 L HN 0.040 nan 8.230 nan 0.000 0.433 174 R N -0.742 119.677 120.500 -0.135 0.000 2.081 174 R HA -0.150 4.186 4.340 -0.007 0.000 0.235 174 R C 2.418 178.512 176.300 -0.343 0.000 1.131 174 R CA 1.515 57.450 56.100 -0.275 0.000 0.960 174 R CB -0.178 30.012 30.300 -0.183 0.000 0.856 174 R HN 0.337 nan 8.270 nan 0.000 0.436 175 R N 0.051 120.436 120.500 -0.192 0.000 2.081 175 R HA -0.161 4.175 4.340 -0.007 0.000 0.235 175 R C 2.471 178.690 176.300 -0.137 0.000 1.131 175 R CA 1.642 57.656 56.100 -0.143 0.000 0.960 175 R CB -0.335 29.926 30.300 -0.066 0.000 0.856 175 R HN 0.386 nan 8.270 nan 0.000 0.436 176 Q N 1.338 121.066 119.800 -0.121 0.000 2.049 176 Q HA -0.133 4.203 4.340 -0.007 0.000 0.198 176 Q C 2.075 178.005 176.000 -0.117 0.000 0.971 176 Q CA 1.480 57.230 55.803 -0.089 0.000 0.833 176 Q CB -0.039 28.661 28.738 -0.063 0.000 0.896 176 Q HN 0.365 nan 8.270 nan 0.000 0.434 177 I N 1.404 121.873 120.570 -0.168 0.000 2.179 177 I HA -0.333 3.833 4.170 -0.007 0.000 0.242 177 I C 2.759 178.738 176.117 -0.229 0.000 1.088 177 I CA 1.804 63.008 61.300 -0.160 0.000 1.357 177 I CB -0.397 37.515 38.000 -0.147 0.000 1.051 177 I HN 0.271 nan 8.210 nan 0.000 0.409 178 R N 1.309 121.517 120.500 -0.487 0.000 2.091 178 R HA -0.235 4.101 4.340 -0.007 0.000 0.238 178 R C 2.063 178.141 176.300 -0.369 0.000 1.136 178 R CA 1.930 57.698 56.100 -0.554 0.000 0.959 178 R CB -0.805 29.019 30.300 -0.794 0.000 0.856 178 R HN 0.427 nan 8.270 nan 0.000 0.437 179 E N 0.760 120.829 120.200 -0.217 0.000 2.031 179 E HA -0.218 4.128 4.350 -0.007 0.000 0.193 179 E C 1.159 177.764 176.600 0.008 0.000 0.994 179 E CA 1.733 58.124 56.400 -0.015 0.000 0.800 179 E CB -0.044 29.695 29.700 0.064 0.000 0.752 179 E HN 0.390 nan 8.360 nan 0.000 0.447 180 D N 0.317 120.709 120.400 -0.012 0.000 2.097 180 D HA -0.172 4.464 4.640 -0.007 0.000 0.197 180 D C 1.984 178.307 176.300 0.038 0.000 0.984 180 D CA 1.116 55.126 54.000 0.017 0.000 0.826 180 D CB -0.327 40.477 40.800 0.007 0.000 0.973 180 D HN 0.284 nan 8.370 nan 0.000 0.460 181 M N 0.223 119.847 119.600 0.041 0.000 2.086 181 M HA -0.137 4.338 4.480 -0.007 0.000 0.261 181 M C 2.018 178.390 176.300 0.120 0.000 1.067 181 M CA 1.431 56.790 55.300 0.098 0.000 1.116 181 M CB -0.017 32.689 32.600 0.176 0.000 1.348 181 M HN -0.075 nan 8.290 nan 0.000 0.407 182 I N 0.319 120.944 120.570 0.091 0.000 2.315 182 I HA -0.198 3.968 4.170 -0.007 0.000 0.248 182 I C 2.659 178.855 176.117 0.132 0.000 1.117 182 I CA 0.903 62.279 61.300 0.125 0.000 1.404 182 I CB -0.703 37.316 38.000 0.031 0.000 1.071 182 I HN 0.383 nan 8.210 nan 0.000 0.419 183 A N 1.062 123.949 122.820 0.112 0.000 1.892 183 A HA -0.236 4.080 4.320 -0.007 0.000 0.218 183 A C 2.546 180.181 177.584 0.084 0.000 1.188 183 A CA 2.156 54.253 52.037 0.100 0.000 0.631 183 A CB -0.821 18.228 19.000 0.082 0.000 0.822 183 A HN 0.440 nan 8.150 nan 0.000 0.447 184 A N -0.617 122.249 122.820 0.077 0.000 1.930 184 A HA 0.056 4.372 4.320 -0.007 0.000 0.217 184 A C 2.172 179.799 177.584 0.072 0.000 1.175 184 A CA 1.340 53.417 52.037 0.066 0.000 0.627 184 A CB -0.531 18.504 19.000 0.059 0.000 0.815 184 A HN 0.467 nan 8.150 nan 0.000 0.443 185 L N -1.047 120.233 121.223 0.094 0.000 2.017 185 L HA -0.197 4.139 4.340 -0.007 0.000 0.208 185 L C 2.897 179.822 176.870 0.091 0.000 1.073 185 L CA 1.578 56.476 54.840 0.097 0.000 0.745 185 L CB -0.453 41.690 42.059 0.139 0.000 0.894 185 L HN 0.340 nan 8.230 nan 0.000 0.432 186 R N -0.281 120.281 120.500 0.102 0.000 2.081 186 R HA -0.136 4.200 4.340 -0.007 0.000 0.235 186 R C 2.421 178.762 176.300 0.067 0.000 1.131 186 R CA 1.304 57.458 56.100 0.090 0.000 0.960 186 R CB -0.530 29.831 30.300 0.100 0.000 0.856 186 R HN 0.360 nan 8.270 nan 0.000 0.436 187 A N 1.229 124.086 122.820 0.062 0.000 1.986 187 A HA -0.198 4.118 4.320 -0.007 0.000 0.220 187 A C 1.405 179.014 177.584 0.042 0.000 1.171 187 A CA 1.749 53.815 52.037 0.047 0.000 0.640 187 A CB -0.497 18.530 19.000 0.044 0.000 0.811 187 A HN 0.428 nan 8.150 nan 0.000 0.451 188 N N -1.471 117.256 118.700 0.045 0.000 2.270 188 N HA 0.342 5.078 4.740 -0.007 0.000 0.198 188 N C 0.814 176.347 175.510 0.038 0.000 1.117 188 N CA 0.462 53.535 53.050 0.038 0.000 0.845 188 N CB 0.368 38.877 38.487 0.036 0.000 0.980 188 N HN 0.572 nan 8.380 nan 0.000 0.486 189 G N 1.045 109.871 108.800 0.044 0.000 2.153 189 G HA2 -0.283 3.672 3.960 -0.007 0.000 0.252 189 G HA3 -0.283 3.672 3.960 -0.007 0.000 0.252 189 G C -0.148 174.778 174.900 0.044 0.000 0.994 189 G CA 0.070 45.195 45.100 0.042 0.000 0.698 189 G HN 0.123 nan 8.290 nan 0.000 0.521 190 K N 0.611 121.042 120.400 0.050 0.000 2.185 190 K HA 0.528 4.844 4.320 -0.007 0.000 0.271 190 K C 0.369 177.003 176.600 0.057 0.000 1.013 190 K CA -0.178 56.137 56.287 0.047 0.000 0.943 190 K CB 1.349 33.876 32.500 0.045 0.000 0.998 190 K HN 0.177 nan 8.250 nan 0.000 0.468 191 S N 0.444 116.169 115.700 0.042 0.000 2.578 191 S HA 0.679 5.145 4.470 -0.007 0.000 0.283 191 S C -0.519 174.099 174.600 0.030 0.000 1.195 191 S CA -0.809 57.419 58.200 0.047 0.000 1.050 191 S CB 1.559 64.779 63.200 0.033 0.000 1.012 191 S HN 0.669 nan 8.310 nan 0.000 0.511 192 A N 1.946 124.795 122.820 0.049 0.000 2.520 192 A HA 0.724 5.040 4.320 -0.007 0.000 0.298 192 A C -1.357 176.217 177.584 -0.018 0.000 1.051 192 A CA -0.619 51.404 52.037 -0.024 0.000 0.690 192 A CB 1.276 20.285 19.000 0.014 0.000 1.281 192 A HN 0.591 nan 8.150 nan 0.000 0.402 193 V N 2.146 121.968 119.914 -0.153 0.000 2.409 193 V HA 0.509 4.625 4.120 -0.007 0.000 0.291 193 V C -1.171 174.729 176.094 -0.323 0.000 1.020 193 V CA -0.209 62.011 62.300 -0.132 0.000 0.848 193 V CB 0.921 32.678 31.823 -0.109 0.000 0.990 193 V HN 0.707 nan 8.190 nan 0.000 0.430 194 F N 3.523 123.204 119.950 -0.449 0.000 2.436 194 F HA 0.587 5.110 4.527 -0.007 0.000 0.340 194 F C 0.224 175.776 175.800 -0.412 0.000 1.113 194 F CA -0.611 57.023 58.000 -0.610 0.000 1.022 194 F CB 1.941 40.085 39.000 -1.427 0.000 1.128 194 F HN 0.177 nan 8.300 nan 0.000 0.466 195 V N 2.776 122.653 119.914 -0.061 0.000 2.439 195 V HA 0.616 4.731 4.120 -0.007 0.000 0.282 195 V C -0.222 175.963 176.094 0.153 0.000 1.039 195 V CA -0.275 62.062 62.300 0.061 0.000 0.913 195 V CB 1.499 33.354 31.823 0.052 0.000 0.983 195 V HN 0.785 nan 8.190 nan 0.000 0.460 196 S N 1.975 117.845 115.700 0.284 0.000 2.579 196 S HA 0.571 5.037 4.470 -0.007 0.000 0.272 196 S C -0.380 174.444 174.600 0.374 0.000 1.141 196 S CA -0.562 57.834 58.200 0.326 0.000 0.843 196 S CB 1.364 64.869 63.200 0.508 0.000 1.122 196 S HN 1.024 nan 8.310 nan 0.000 0.468 197 H N 0.281 119.495 119.070 0.241 0.000 2.567 197 H HA 0.486 5.037 4.556 -0.007 0.000 0.267 197 H C -0.485 174.928 175.328 0.142 0.000 1.148 197 H CA -0.568 55.614 56.048 0.224 0.000 1.031 197 H CB 0.147 30.019 29.762 0.184 0.000 1.691 197 H HN 0.328 nan 8.280 nan 0.000 0.588 198 D N 1.572 122.002 120.400 0.051 0.000 2.396 198 D HA 0.110 4.746 4.640 -0.007 0.000 0.225 198 D C 0.794 177.125 176.300 0.053 0.000 1.121 198 D CA -0.398 53.613 54.000 0.019 0.000 0.853 198 D CB 0.856 41.660 40.800 0.005 0.000 1.043 198 D HN 0.360 nan 8.370 nan 0.000 0.500 199 R N 2.494 123.015 120.500 0.035 0.000 2.096 199 R HA -0.126 4.210 4.340 -0.007 0.000 0.235 199 R C 1.829 178.122 176.300 -0.011 0.000 1.127 199 R CA 1.133 57.253 56.100 0.033 0.000 0.968 199 R CB 0.078 30.392 30.300 0.024 0.000 0.861 199 R HN 0.553 nan 8.270 nan 0.000 0.440 200 E N 1.043 121.229 120.200 -0.023 0.000 2.051 200 E HA -0.260 4.086 4.350 -0.007 0.000 0.192 200 E C 1.935 178.499 176.600 -0.059 0.000 0.991 200 E CA 1.308 57.680 56.400 -0.046 0.000 0.799 200 E CB 0.099 29.777 29.700 -0.036 0.000 0.748 200 E HN 0.349 nan 8.360 nan 0.000 0.449 201 E N -0.025 120.160 120.200 -0.026 0.000 2.038 201 E HA -0.249 4.097 4.350 -0.007 0.000 0.195 201 E C 1.959 178.398 176.600 -0.268 0.000 1.000 201 E CA 1.263 57.662 56.400 -0.002 0.000 0.803 201 E CB -0.198 29.543 29.700 0.069 0.000 0.750 201 E HN 0.320 nan 8.360 nan 0.000 0.448 202 A N 1.069 123.636 122.820 -0.422 0.000 1.883 202 A HA -0.181 4.135 4.320 -0.007 0.000 0.217 202 A C 2.263 179.580 177.584 -0.445 0.000 1.186 202 A CA 1.494 53.067 52.037 -0.773 0.000 0.624 202 A CB -0.847 17.985 19.000 -0.280 0.000 0.822 202 A HN 0.345 nan 8.150 nan 0.000 0.444 203 L N -0.929 120.159 121.223 -0.224 0.000 2.127 203 L HA -0.250 4.086 4.340 -0.007 0.000 0.211 203 L C 2.876 179.622 176.870 -0.207 0.000 1.089 203 L CA 1.878 56.619 54.840 -0.166 0.000 0.757 203 L CB -0.410 41.569 42.059 -0.133 0.000 0.899 203 L HN 0.652 nan 8.230 nan 0.000 0.434 204 Q N -1.027 118.619 119.800 -0.257 0.000 2.163 204 Q HA -0.143 4.193 4.340 -0.007 0.000 0.198 204 Q C 1.758 177.432 176.000 -0.543 0.000 0.954 204 Q CA 1.301 56.870 55.803 -0.390 0.000 0.851 204 Q CB 0.132 28.585 28.738 -0.476 0.000 0.928 204 Q HN 0.472 nan 8.270 nan 0.000 0.459 205 Y N -0.567 119.572 120.300 -0.267 0.000 2.498 205 Y HA 0.429 4.975 4.550 -0.007 0.000 0.259 205 Y C 0.543 176.376 175.900 -0.112 0.000 1.086 205 Y CA -0.040 57.944 58.100 -0.193 0.000 1.287 205 Y CB 0.505 38.847 38.460 -0.196 0.000 1.146 205 Y HN 0.072 nan 8.280 nan 0.000 0.523 206 A N 0.774 123.514 122.820 -0.133 0.000 2.440 206 A HA 0.078 4.394 4.320 -0.007 0.000 0.251 206 A C 0.793 178.433 177.584 0.094 0.000 1.089 206 A CA -0.157 51.937 52.037 0.095 0.000 0.779 206 A CB 0.133 19.148 19.000 0.025 0.000 1.022 206 A HN 0.308 nan 8.150 nan 0.000 0.492 207 D N 1.130 121.623 120.400 0.155 0.000 2.097 207 D HA -0.035 4.601 4.640 -0.007 0.000 0.197 207 D C 0.652 177.011 176.300 0.098 0.000 0.984 207 D CA 1.452 55.516 54.000 0.107 0.000 0.826 207 D CB 0.173 41.042 40.800 0.114 0.000 0.973 207 D HN 0.610 nan 8.370 nan 0.000 0.460 208 R N -0.655 119.926 120.500 0.134 0.000 2.740 208 R HA 0.623 4.959 4.340 -0.007 0.000 0.273 208 R C -0.896 175.500 176.300 0.160 0.000 0.998 208 R CA -0.638 55.532 56.100 0.118 0.000 0.900 208 R CB 2.402 32.761 30.300 0.097 0.000 1.223 208 R HN -0.126 nan 8.270 nan 0.000 0.466 209 I N 1.281 121.930 120.570 0.132 0.000 2.436 209 I HA 0.428 4.594 4.170 -0.007 0.000 0.289 209 I C -0.464 175.720 176.117 0.111 0.000 1.010 209 I CA -0.737 60.657 61.300 0.158 0.000 1.098 209 I CB 2.149 40.229 38.000 0.133 0.000 1.266 209 I HN 0.617 nan 8.210 nan 0.000 0.434 210 A N 6.759 129.643 122.820 0.107 0.000 2.249 210 A HA 0.672 4.987 4.320 -0.007 0.000 0.314 210 A C -0.531 177.065 177.584 0.021 0.000 1.290 210 A CA -0.448 51.621 52.037 0.052 0.000 0.893 210 A CB 0.659 19.680 19.000 0.036 0.000 1.165 210 A HN 0.449 nan 8.150 nan 0.000 0.530 211 V N 4.776 124.680 119.914 -0.015 0.000 2.383 211 V HA 0.326 4.442 4.120 -0.007 0.000 0.275 211 V C 0.291 176.309 176.094 -0.126 0.000 1.036 211 V CA 0.104 62.346 62.300 -0.098 0.000 0.889 211 V CB 0.806 32.580 31.823 -0.082 0.000 0.985 211 V HN 0.960 nan 8.190 nan 0.000 0.459 212 M N 4.694 124.184 119.600 -0.184 0.000 2.598 212 M HA 0.604 5.080 4.480 -0.007 0.000 0.317 212 M C -0.426 175.770 176.300 -0.173 0.000 1.201 212 M CA -0.525 54.692 55.300 -0.140 0.000 0.971 212 M CB 1.996 34.533 32.600 -0.104 0.000 1.657 212 M HN 0.530 nan 8.290 nan 0.000 0.470 213 K N 1.501 121.838 120.400 -0.104 0.000 2.565 213 K HA 0.211 4.527 4.320 -0.007 0.000 0.251 213 K C -1.254 175.320 176.600 -0.043 0.000 0.956 213 K CA -0.305 55.935 56.287 -0.079 0.000 0.809 213 K CB 1.459 33.921 32.500 -0.063 0.000 1.267 213 K HN 0.776 nan 8.250 nan 0.000 0.438 214 Q N 1.968 121.752 119.800 -0.028 0.000 2.423 214 Q HA -0.259 4.077 4.340 -0.007 0.000 0.332 214 Q C 0.539 176.531 176.000 -0.012 0.000 1.355 214 Q CA 1.149 56.945 55.803 -0.011 0.000 0.947 214 Q CB -1.633 27.102 28.738 -0.005 0.000 1.189 214 Q HN 1.181 nan 8.270 nan 0.000 0.418 215 G N -0.672 108.117 108.800 -0.018 0.000 2.184 215 G HA2 -0.354 3.602 3.960 -0.007 0.000 0.264 215 G HA3 -0.354 3.602 3.960 -0.007 0.000 0.264 215 G C 0.125 175.009 174.900 -0.027 0.000 0.975 215 G CA 0.660 45.748 45.100 -0.019 0.000 0.642 215 G HN 0.403 nan 8.290 nan 0.000 0.536 216 R N -0.770 119.711 120.500 -0.030 0.000 2.892 216 R HA 0.680 5.016 4.340 -0.007 0.000 0.265 216 R C -0.234 176.042 176.300 -0.040 0.000 1.025 216 R CA -1.198 54.884 56.100 -0.030 0.000 0.982 216 R CB 1.160 31.448 30.300 -0.021 0.000 1.185 216 R HN 0.063 nan 8.270 nan 0.000 0.484 217 I N 3.348 123.896 120.570 -0.037 0.000 2.301 217 I HA 0.054 4.220 4.170 -0.007 0.000 0.292 217 I C 1.406 177.505 176.117 -0.030 0.000 1.046 217 I CA 0.163 61.441 61.300 -0.037 0.000 1.282 217 I CB 0.904 38.886 38.000 -0.031 0.000 1.409 217 I HN 0.625 nan 8.210 nan 0.000 0.484 218 L N 4.559 125.760 121.223 -0.036 0.000 2.156 218 L HA 0.006 4.342 4.340 -0.007 0.000 0.208 218 L C 0.855 177.718 176.870 -0.013 0.000 1.095 218 L CA 0.904 55.729 54.840 -0.025 0.000 0.770 218 L CB -0.115 41.925 42.059 -0.031 0.000 0.914 218 L HN 0.647 nan 8.230 nan 0.000 0.439 219 Q N -1.037 118.756 119.800 -0.010 0.000 2.503 219 Q HA 0.239 4.575 4.340 -0.007 0.000 0.268 219 Q C -1.637 174.370 176.000 0.012 0.000 0.982 219 Q CA -0.300 55.505 55.803 0.004 0.000 0.907 219 Q CB 2.172 30.916 28.738 0.010 0.000 1.467 219 Q HN -0.099 nan 8.270 nan 0.000 0.394 220 T N 1.656 116.222 114.554 0.020 0.000 2.847 220 T HA 0.885 5.231 4.350 -0.007 0.000 0.291 220 T C -1.182 173.542 174.700 0.041 0.000 0.998 220 T CA -0.157 61.964 62.100 0.034 0.000 0.967 220 T CB 1.312 70.198 68.868 0.030 0.000 0.954 220 T HN 0.658 nan 8.240 nan 0.000 0.441 221 A N 2.352 125.204 122.820 0.054 0.000 2.588 221 A HA 0.885 5.201 4.320 -0.007 0.000 0.290 221 A C 0.108 177.732 177.584 0.067 0.000 1.136 221 A CA -0.949 51.122 52.037 0.056 0.000 0.681 221 A CB 0.834 19.865 19.000 0.051 0.000 1.282 221 A HN 0.917 nan 8.150 nan 0.000 0.421 222 S N 0.305 116.046 115.700 0.068 0.000 2.576 222 S HA 0.304 4.770 4.470 -0.007 0.000 0.272 222 S C -1.834 172.812 174.600 0.076 0.000 1.352 222 S CA -0.032 58.211 58.200 0.072 0.000 1.021 222 S CB 0.329 63.573 63.200 0.074 0.000 0.887 222 S HN 0.356 nan 8.310 nan 0.000 0.542 223 P HA -0.179 nan 4.420 nan 0.000 0.215 223 P C 1.519 178.866 177.300 0.079 0.000 1.153 223 P CA 1.468 64.595 63.100 0.045 0.000 0.853 223 P CB -0.211 31.480 31.700 -0.015 0.000 0.788 224 H N 0.049 119.122 119.070 0.005 0.000 2.321 224 H HA -0.142 4.410 4.556 -0.006 0.000 0.300 224 H C 1.946 177.309 175.328 0.058 0.000 1.087 224 H CA 1.847 57.907 56.048 0.020 0.000 1.319 224 H CB -0.126 29.628 29.762 -0.015 0.000 1.379 224 H HN 0.161 nan 8.280 nan 0.000 0.501 225 E N -0.023 120.260 120.200 0.137 0.000 2.106 225 E HA -0.136 4.210 4.350 -0.007 0.000 0.192 225 E C 2.432 179.048 176.600 0.027 0.000 0.984 225 E CA 0.711 57.158 56.400 0.078 0.000 0.806 225 E CB -0.027 29.730 29.700 0.096 0.000 0.750 225 E HN 0.304 nan 8.360 nan 0.000 0.458 226 L N 0.347 121.601 121.223 0.051 0.000 2.042 226 L HA -0.199 4.137 4.340 -0.007 0.000 0.210 226 L C 2.128 179.021 176.870 0.037 0.000 1.076 226 L CA 1.893 56.763 54.840 0.051 0.000 0.749 226 L CB -0.877 41.232 42.059 0.083 0.000 0.893 226 L HN 0.257 nan 8.230 nan 0.000 0.432 227 Y N -0.312 119.944 120.300 -0.074 0.000 2.243 227 Y HA -0.072 4.473 4.550 -0.008 0.000 0.293 227 Y C 2.409 178.236 175.900 -0.121 0.000 1.124 227 Y CA 1.430 59.476 58.100 -0.089 0.000 1.159 227 Y CB 0.088 38.483 38.460 -0.107 0.000 1.008 227 Y HN 0.093 nan 8.280 nan 0.000 0.527 228 R N -0.616 119.824 120.500 -0.099 0.000 2.237 228 R HA 0.106 4.442 4.340 -0.007 0.000 0.195 228 R C 0.113 176.342 176.300 -0.118 0.000 0.956 228 R CA 0.469 56.477 56.100 -0.154 0.000 1.029 228 R CB 0.225 30.362 30.300 -0.270 0.000 0.972 228 R HN 0.281 nan 8.270 nan 0.000 0.493 229 Q N 0.379 120.128 119.800 -0.085 0.000 2.506 229 Q HA 0.241 4.576 4.340 -0.007 0.000 0.380 229 Q C -2.504 173.473 176.000 -0.038 0.000 0.867 229 Q CA -1.574 54.201 55.803 -0.046 0.000 1.093 229 Q CB 1.587 30.319 28.738 -0.009 0.000 1.388 229 Q HN 0.067 nan 8.270 nan 0.000 0.400 230 P HA -0.006 nan 4.420 nan 0.000 0.268 230 P C 0.152 177.437 177.300 -0.024 0.000 1.205 230 P CA 0.208 63.283 63.100 -0.041 0.000 0.771 230 P CB 1.541 33.200 31.700 -0.069 0.000 0.858 231 A N 2.480 125.294 122.820 -0.009 0.000 1.969 231 A HA -0.058 4.258 4.320 -0.007 0.000 0.218 231 A C 0.726 178.306 177.584 -0.006 0.000 1.169 231 A CA 1.488 53.522 52.037 -0.005 0.000 0.635 231 A CB -0.374 18.626 19.000 0.001 0.000 0.810 231 A HN 0.531 nan 8.150 nan 0.000 0.445 232 D N -3.224 117.172 120.400 -0.007 0.000 2.570 232 D HA 0.372 5.008 4.640 -0.007 0.000 0.244 232 D C 0.486 176.782 176.300 -0.007 0.000 1.178 232 D CA -0.621 53.377 54.000 -0.004 0.000 0.881 232 D CB 1.547 42.348 40.800 0.002 0.000 1.453 232 D HN -0.063 nan 8.370 nan 0.000 0.447 233 L N 1.120 122.341 121.223 -0.005 0.000 2.141 233 L HA -0.043 4.293 4.340 -0.007 0.000 0.209 233 L C 1.208 178.084 176.870 0.009 0.000 1.094 233 L CA 1.916 56.752 54.840 -0.007 0.000 0.763 233 L CB -0.189 41.867 42.059 -0.005 0.000 0.908 233 L HN 0.320 nan 8.230 nan 0.000 0.437 234 D N 0.110 120.523 120.400 0.022 0.000 2.117 234 D HA -0.150 4.485 4.640 -0.007 0.000 0.197 234 D C 2.204 178.554 176.300 0.084 0.000 0.987 234 D CA 1.534 55.565 54.000 0.051 0.000 0.829 234 D CB -0.142 40.681 40.800 0.038 0.000 0.961 234 D HN 0.509 nan 8.370 nan 0.000 0.460 235 A N 1.234 124.084 122.820 0.051 0.000 1.902 235 A HA -0.081 4.235 4.320 -0.007 0.000 0.217 235 A C 2.345 179.974 177.584 0.076 0.000 1.181 235 A CA 2.312 54.390 52.037 0.068 0.000 0.623 235 A CB -0.727 18.290 19.000 0.027 0.000 0.818 235 A HN 0.239 nan 8.150 nan 0.000 0.443 236 A N -0.352 122.475 122.820 0.012 0.000 1.908 236 A HA -0.066 4.250 4.320 -0.007 0.000 0.218 236 A C 2.159 179.726 177.584 -0.027 0.000 1.181 236 A CA 1.594 53.601 52.037 -0.050 0.000 0.627 236 A CB -0.593 18.354 19.000 -0.087 0.000 0.818 236 A HN 0.477 nan 8.150 nan 0.000 0.445 237 L N -2.539 118.693 121.223 0.015 0.000 2.217 237 L HA -0.060 4.276 4.340 -0.007 0.000 0.211 237 L C 2.383 179.278 176.870 0.041 0.000 1.107 237 L CA 0.847 55.694 54.840 0.012 0.000 0.783 237 L CB -0.372 41.695 42.059 0.014 0.000 0.919 237 L HN 0.458 nan 8.230 nan 0.000 0.442 238 F N 0.211 120.163 119.950 0.003 0.000 2.146 238 F HA -0.222 4.301 4.527 -0.005 0.000 0.298 238 F C 2.222 178.051 175.800 0.049 0.000 1.096 238 F CA 1.335 59.352 58.000 0.029 0.000 1.275 238 F CB 0.091 39.112 39.000 0.034 0.000 1.008 238 F HN -0.054 nan 8.300 nan 0.000 0.480 239 I N -0.350 120.334 120.570 0.191 0.000 3.251 239 I HA 0.238 4.404 4.170 -0.007 0.000 0.277 239 I C 0.742 176.948 176.117 0.149 0.000 1.268 239 I CA 0.625 62.035 61.300 0.182 0.000 1.449 239 I CB -0.553 37.576 38.000 0.216 0.000 1.083 239 I HN 0.064 nan 8.210 nan 0.000 0.464 240 G N -0.500 108.343 108.800 0.072 0.000 2.632 240 G HA2 0.289 4.245 3.960 -0.007 0.000 0.292 240 G HA3 0.289 4.245 3.960 -0.007 0.000 0.292 240 G C -1.321 173.585 174.900 0.010 0.000 1.465 240 G CA -0.747 44.412 45.100 0.097 0.000 0.824 240 G HN -0.138 nan 8.290 nan 0.000 0.509 241 E N -0.572 119.637 120.200 0.016 0.000 2.442 241 E HA 0.460 4.806 4.350 -0.007 0.000 0.262 241 E C 0.507 177.093 176.600 -0.023 0.000 1.004 241 E CA 0.714 57.108 56.400 -0.009 0.000 0.928 241 E CB 1.435 31.139 29.700 0.006 0.000 0.937 241 E HN 0.923 nan 8.360 nan 0.000 0.446 242 G N 1.303 110.077 108.800 -0.043 0.000 2.704 242 G HA2 0.589 4.545 3.960 -0.007 0.000 0.293 242 G HA3 0.589 4.545 3.960 -0.007 0.000 0.293 242 G C -1.071 173.787 174.900 -0.071 0.000 1.421 242 G CA -0.745 44.319 45.100 -0.061 0.000 0.870 242 G HN 0.345 nan 8.290 nan 0.000 0.492 243 I N 1.029 121.551 120.570 -0.080 0.000 2.362 243 I HA 0.446 4.612 4.170 -0.007 0.000 0.289 243 I C -0.331 175.654 176.117 -0.219 0.000 0.994 243 I CA -0.860 60.362 61.300 -0.130 0.000 1.158 243 I CB 1.955 39.952 38.000 -0.005 0.000 1.315 243 I HN 0.114 nan 8.210 nan 0.000 0.451 244 V N 6.753 126.442 119.914 -0.375 0.000 2.715 244 V HA 0.544 4.660 4.120 -0.007 0.000 0.310 244 V C -0.715 175.038 176.094 -0.568 0.000 1.054 244 V CA -0.662 61.457 62.300 -0.301 0.000 0.928 244 V CB 1.957 33.686 31.823 -0.157 0.000 1.007 244 V HN 0.385 nan 8.190 nan 0.000 0.437 245 F N 2.746 122.704 119.950 0.014 0.000 2.578 245 F HA 0.589 5.111 4.527 -0.010 0.000 0.311 245 F C -2.471 173.335 175.800 0.010 0.000 1.094 245 F CA -2.507 55.503 58.000 0.017 0.000 0.923 245 F CB 2.001 41.016 39.000 0.024 0.000 1.230 245 F HN 0.281 nan 8.300 nan 0.000 0.450 246 P HA 0.337 nan 4.420 nan 0.000 0.266 246 P C -1.133 176.236 177.300 0.115 0.000 1.195 246 P CA 0.062 63.231 63.100 0.115 0.000 0.768 246 P CB 0.698 32.452 31.700 0.090 0.000 0.838 247 A N 1.789 124.653 122.820 0.074 0.000 2.594 247 A HA 0.776 5.092 4.320 -0.007 0.000 0.295 247 A C -1.544 176.059 177.584 0.032 0.000 1.071 247 A CA -0.539 51.529 52.037 0.053 0.000 0.685 247 A CB 1.568 20.604 19.000 0.060 0.000 1.285 247 A HN 0.465 nan 8.150 nan 0.000 0.405 248 A N 0.889 123.721 122.820 0.020 0.000 2.330 248 A HA 0.662 4.978 4.320 -0.007 0.000 0.313 248 A C -0.922 176.668 177.584 0.009 0.000 1.124 248 A CA -0.449 51.596 52.037 0.014 0.000 0.774 248 A CB 0.769 19.775 19.000 0.010 0.000 1.198 248 A HN 1.523 nan 8.150 nan 0.000 0.465 249 L N 2.698 123.926 121.223 0.009 0.000 2.371 249 L HA 0.390 4.726 4.340 -0.007 0.000 0.272 249 L C -0.086 176.786 176.870 0.003 0.000 1.124 249 L CA 0.173 55.017 54.840 0.006 0.000 0.816 249 L CB 0.490 42.552 42.059 0.006 0.000 1.129 249 L HN 0.757 nan 8.230 nan 0.000 0.448 250 N N 2.518 121.219 118.700 0.001 0.000 2.563 250 N HA 0.501 5.237 4.740 -0.007 0.000 0.288 250 N C 0.124 175.634 175.510 0.000 0.000 1.246 250 N CA 0.073 53.123 53.050 0.000 0.000 0.946 250 N CB 1.479 39.965 38.487 -0.002 0.000 1.213 250 N HN 0.664 nan 8.380 nan 0.000 0.578 251 A N -0.462 122.358 122.820 -0.000 0.000 2.195 251 A HA -0.013 4.303 4.320 -0.007 0.000 0.210 251 A C 0.515 178.099 177.584 -0.000 0.000 1.165 251 A CA 0.525 52.562 52.037 0.000 0.000 0.806 251 A CB -0.204 18.796 19.000 0.000 0.000 0.847 251 A HN 0.657 nan 8.150 nan 0.000 0.482 252 D N -1.911 118.488 120.400 -0.001 0.000 2.427 252 D HA 0.302 4.938 4.640 -0.007 0.000 0.224 252 D C 1.002 177.301 176.300 -0.002 0.000 1.157 252 D CA 0.403 54.402 54.000 -0.002 0.000 0.828 252 D CB -0.520 40.278 40.800 -0.003 0.000 0.974 252 D HN 0.579 nan 8.370 nan 0.000 0.498 253 G N 0.216 109.015 108.800 -0.001 0.000 2.143 253 G HA2 -0.257 3.699 3.960 -0.007 0.000 0.249 253 G HA3 -0.257 3.699 3.960 -0.007 0.000 0.249 253 G C 0.414 175.313 174.900 -0.002 0.000 0.981 253 G CA 0.621 45.720 45.100 -0.001 0.000 0.665 253 G HN 0.835 nan 8.290 nan 0.000 0.528 254 T N -2.521 112.032 114.554 -0.002 0.000 2.940 254 T HA 0.946 5.292 4.350 -0.007 0.000 0.288 254 T C -0.093 174.606 174.700 -0.002 0.000 1.045 254 T CA 0.294 62.392 62.100 -0.003 0.000 1.018 254 T CB 2.523 71.388 68.868 -0.006 0.000 1.151 254 T HN 1.819 nan 8.240 nan 0.000 0.529 255 A N 0.855 123.673 122.820 -0.003 0.000 2.454 255 A HA 0.694 5.010 4.320 -0.007 0.000 0.302 255 A C -1.223 176.355 177.584 -0.009 0.000 1.079 255 A CA -0.900 51.136 52.037 -0.001 0.000 0.731 255 A CB 1.258 20.263 19.000 0.008 0.000 1.299 255 A HN 0.829 nan 8.150 nan 0.000 0.413 256 D N 0.590 120.985 120.400 -0.009 0.000 2.210 256 D HA 0.564 5.200 4.640 -0.007 0.000 0.249 256 D C 0.031 176.317 176.300 -0.023 0.000 1.062 256 D CA 0.269 54.257 54.000 -0.021 0.000 0.891 256 D CB 1.387 42.178 40.800 -0.015 0.000 1.186 256 D HN 0.877 nan 8.370 nan 0.000 0.432 257 C N -0.157 119.108 119.300 -0.059 0.000 3.336 257 C HA 0.473 4.929 4.460 -0.007 0.000 0.339 257 C C 1.594 176.500 174.990 -0.141 0.000 1.468 257 C CA -0.815 58.158 59.018 -0.075 0.000 1.287 257 C CB 1.401 29.085 27.740 -0.093 0.000 1.682 257 C HN 0.656 nan 8.230 nan 0.000 0.451 258 R N -0.340 120.068 120.500 -0.153 0.000 2.127 258 R HA -0.111 4.225 4.340 -0.007 0.000 0.238 258 R C 1.761 177.926 176.300 -0.224 0.000 1.134 258 R CA 1.605 57.624 56.100 -0.135 0.000 0.975 258 R CB -0.434 29.838 30.300 -0.048 0.000 0.865 258 R HN 0.700 nan 8.270 nan 0.000 0.447 259 L N -0.528 120.423 121.223 -0.453 0.000 2.093 259 L HA 0.019 4.355 4.340 -0.007 0.000 0.208 259 L C 0.902 177.651 176.870 -0.202 0.000 1.085 259 L CA 2.034 56.642 54.840 -0.387 0.000 0.755 259 L CB -0.074 41.613 42.059 -0.620 0.000 0.904 259 L HN 0.324 nan 8.230 nan 0.000 0.435 260 G N -1.490 107.202 108.800 -0.180 0.000 2.352 260 G HA2 0.093 4.049 3.960 -0.007 0.000 0.283 260 G HA3 0.093 4.049 3.960 -0.007 0.000 0.283 260 G C -1.312 173.541 174.900 -0.078 0.000 1.308 260 G CA -0.531 44.510 45.100 -0.100 0.000 0.892 260 G HN 0.145 nan 8.290 nan 0.000 0.504 261 R N 0.359 120.830 120.500 -0.048 0.000 2.198 261 R HA 0.649 4.985 4.340 -0.007 0.000 0.339 261 R C -0.726 175.559 176.300 -0.025 0.000 1.020 261 R CA -0.444 55.636 56.100 -0.033 0.000 0.864 261 R CB -0.021 30.265 30.300 -0.024 0.000 1.105 261 R HN 0.426 nan 8.270 nan 0.000 0.463 262 L N 6.141 127.351 121.223 -0.022 0.000 2.365 262 L HA 0.561 4.897 4.340 -0.007 0.000 0.273 262 L C -2.238 174.629 176.870 -0.005 0.000 1.000 262 L CA -2.823 52.011 54.840 -0.011 0.000 0.819 262 L CB 2.199 44.254 42.059 -0.008 0.000 1.284 262 L HN 0.502 nan 8.230 nan 0.000 0.418 263 P HA 0.162 nan 4.420 nan 0.000 0.268 263 P C -0.880 176.418 177.300 -0.002 0.000 1.205 263 P CA -0.053 63.045 63.100 -0.002 0.000 0.771 263 P CB 1.164 32.863 31.700 -0.002 0.000 0.858 264 V N 2.663 122.575 119.914 -0.002 0.000 3.012 264 V HA 0.276 4.392 4.120 -0.007 0.000 0.307 264 V C -0.721 175.370 176.094 -0.005 0.000 1.166 264 V CA -0.679 61.620 62.300 -0.003 0.000 0.974 264 V CB 2.378 34.202 31.823 0.002 0.000 1.040 264 V HN 0.471 nan 8.190 nan 0.000 0.428 265 Q N 3.006 122.801 119.800 -0.009 0.000 2.331 265 Q HA 0.716 5.052 4.340 -0.007 0.000 0.257 265 Q C -0.804 175.191 176.000 -0.008 0.000 0.957 265 Q CA 0.129 55.927 55.803 -0.009 0.000 0.923 265 Q CB 1.322 30.051 28.738 -0.015 0.000 1.212 265 Q HN 0.791 nan 8.270 nan 0.000 0.443 266 S N 2.021 117.719 115.700 -0.004 0.000 2.580 266 S HA 0.521 4.987 4.470 -0.007 0.000 0.281 266 S C -0.269 174.331 174.600 0.000 0.000 1.129 266 S CA -0.073 58.126 58.200 -0.002 0.000 0.862 266 S CB 0.995 64.194 63.200 -0.001 0.000 1.090 266 S HN 0.743 nan 8.310 nan 0.000 0.451 267 G N 1.301 110.101 108.800 0.001 0.000 3.277 267 G HA2 0.546 4.502 3.960 -0.007 0.000 0.243 267 G HA3 0.546 4.502 3.960 -0.007 0.000 0.243 267 G C 0.555 175.456 174.900 0.003 0.000 1.107 267 G CA 0.404 45.506 45.100 0.002 0.000 0.771 267 G HN 1.082 nan 8.290 nan 0.000 0.544 268 A N 0.785 123.606 122.820 0.003 0.000 2.386 268 A HA 0.626 4.942 4.320 -0.007 0.000 0.246 268 A C -2.072 175.514 177.584 0.003 0.000 1.089 268 A CA -0.761 51.278 52.037 0.003 0.000 0.790 268 A CB 0.135 19.137 19.000 0.004 0.000 1.042 268 A HN 0.183 nan 8.150 nan 0.000 0.497 269 P HA 0.379 nan 4.420 nan 0.000 0.274 269 P C -0.285 177.017 177.300 0.004 0.000 1.231 269 P CA 0.056 63.158 63.100 0.003 0.000 0.790 269 P CB 0.592 32.294 31.700 0.004 0.000 0.951 270 A N 1.918 124.739 122.820 0.003 0.000 2.531 270 A HA 0.409 4.725 4.320 -0.007 0.000 0.236 270 A C 1.524 179.110 177.584 0.004 0.000 1.062 270 A CA 0.840 52.879 52.037 0.003 0.000 0.760 270 A CB -1.364 17.637 19.000 0.002 0.000 0.995 270 A HN 0.891 nan 8.150 nan 0.000 0.501 271 G N 1.369 110.172 108.800 0.004 0.000 2.225 271 G HA2 -0.220 3.736 3.960 -0.007 0.000 0.254 271 G HA3 -0.220 3.736 3.960 -0.007 0.000 0.254 271 G C 0.517 175.421 174.900 0.006 0.000 0.988 271 G CA 0.514 45.617 45.100 0.005 0.000 0.625 271 G HN 1.267 nan 8.290 nan 0.000 0.527 272 T N 2.983 117.540 114.554 0.006 0.000 2.940 272 T HA 0.467 4.813 4.350 -0.007 0.000 0.309 272 T C 0.684 175.390 174.700 0.010 0.000 1.056 272 T CA 0.155 62.260 62.100 0.007 0.000 1.137 272 T CB 0.867 69.739 68.868 0.007 0.000 0.976 272 T HN 0.351 nan 8.240 nan 0.000 0.547 273 R N 1.398 121.905 120.500 0.011 0.000 2.668 273 R HA 0.762 5.098 4.340 -0.007 0.000 0.279 273 R C 0.492 176.801 176.300 0.016 0.000 0.976 273 R CA -0.611 55.498 56.100 0.015 0.000 0.978 273 R CB 1.965 32.274 30.300 0.015 0.000 1.133 273 R HN 0.886 nan 8.270 nan 0.000 0.484 274 G N -0.053 108.760 108.800 0.021 0.000 2.512 274 G HA2 0.189 4.145 3.960 -0.007 0.000 0.186 274 G HA3 0.189 4.145 3.960 -0.007 0.000 0.186 274 G C -1.336 173.582 174.900 0.031 0.000 1.189 274 G CA -0.163 44.950 45.100 0.021 0.000 0.994 274 G HN 0.595 nan 8.290 nan 0.000 0.506 275 T N -1.162 113.410 114.554 0.030 0.000 2.916 275 T HA 0.659 5.005 4.350 -0.007 0.000 0.298 275 T C -0.768 173.959 174.700 0.045 0.000 1.031 275 T CA -0.512 61.613 62.100 0.041 0.000 0.993 275 T CB 1.598 70.479 68.868 0.021 0.000 1.045 275 T HN 1.623 nan 8.240 nan 0.000 0.454 276 L N 1.798 123.070 121.223 0.083 0.000 2.331 276 L HA 0.928 5.264 4.340 -0.007 0.000 0.275 276 L C -1.071 175.850 176.870 0.084 0.000 1.022 276 L CA -1.096 53.791 54.840 0.079 0.000 0.812 276 L CB 1.381 43.495 42.059 0.091 0.000 1.257 276 L HN 0.892 nan 8.230 nan 0.000 0.435 277 L N 3.711 124.954 121.223 0.033 0.000 2.381 277 L HA 0.685 5.021 4.340 -0.007 0.000 0.274 277 L C -1.372 175.484 176.870 -0.024 0.000 0.988 277 L CA -0.416 54.419 54.840 -0.008 0.000 0.824 277 L CB 1.608 43.636 42.059 -0.051 0.000 1.263 277 L HN 0.752 nan 8.230 nan 0.000 0.410 278 I N 4.771 125.323 120.570 -0.030 0.000 2.404 278 I HA 0.465 4.631 4.170 -0.007 0.000 0.293 278 I C -0.356 175.673 176.117 -0.148 0.000 0.992 278 I CA -0.882 60.355 61.300 -0.105 0.000 1.149 278 I CB 1.533 39.450 38.000 -0.138 0.000 1.315 278 I HN 0.511 nan 8.210 nan 0.000 0.446 279 R N 6.396 126.806 120.500 -0.150 0.000 2.298 279 R HA 0.227 4.563 4.340 -0.007 0.000 0.310 279 R C -1.853 174.363 176.300 -0.141 0.000 1.068 279 R CA -2.051 53.993 56.100 -0.095 0.000 0.957 279 R CB 0.442 30.736 30.300 -0.010 0.000 1.003 279 R HN 0.295 nan 8.270 nan 0.000 0.454 280 P HA -0.210 nan 4.420 nan 0.000 0.217 280 P C 0.947 178.253 177.300 0.010 0.000 1.148 280 P CA 1.287 64.379 63.100 -0.014 0.000 0.834 280 P CB 0.259 31.995 31.700 0.060 0.000 0.783 281 E N 0.075 120.284 120.200 0.015 0.000 2.472 281 E HA -0.192 4.154 4.350 -0.007 0.000 0.200 281 E C 1.415 178.029 176.600 0.022 0.000 1.046 281 E CA 0.929 57.352 56.400 0.037 0.000 0.871 281 E CB -0.787 28.938 29.700 0.042 0.000 0.806 281 E HN 0.429 nan 8.360 nan 0.000 0.533 282 Q N -0.274 119.493 119.800 -0.055 0.000 2.378 282 Q HA -0.003 4.333 4.340 -0.007 0.000 0.205 282 Q C -0.139 175.874 176.000 0.022 0.000 0.954 282 Q CA 0.437 56.204 55.803 -0.059 0.000 0.901 282 Q CB 0.006 28.659 28.738 -0.142 0.000 0.981 282 Q HN 0.245 nan 8.270 nan 0.000 0.483 283 Y N 0.779 121.119 120.300 0.067 0.000 2.309 283 Y HA 0.217 4.765 4.550 -0.002 0.000 0.327 283 Y C 0.558 176.506 175.900 0.081 0.000 1.172 283 Y CA -1.061 57.084 58.100 0.075 0.000 1.280 283 Y CB 1.194 39.696 38.460 0.071 0.000 1.234 283 Y HN -0.096 nan 8.280 nan 0.000 0.512 284 S N 2.274 118.150 115.700 0.294 0.000 2.570 284 S HA 0.732 5.198 4.470 -0.007 0.000 0.270 284 S C -1.893 172.800 174.600 0.154 0.000 1.149 284 S CA -0.937 57.373 58.200 0.182 0.000 0.837 284 S CB 2.052 65.351 63.200 0.164 0.000 1.124 284 S HN 0.436 nan 8.310 nan 0.000 0.465 285 L N 1.487 122.722 121.223 0.020 0.000 2.365 285 L HA 0.772 5.108 4.340 -0.007 0.000 0.273 285 L C -1.413 175.395 176.870 -0.104 0.000 1.000 285 L CA -0.034 54.830 54.840 0.040 0.000 0.819 285 L CB 1.594 43.660 42.059 0.011 0.000 1.284 285 L HN 1.000 nan 8.230 nan 0.000 0.418 286 H N 2.517 121.676 119.070 0.148 0.000 2.865 286 H HA 0.724 5.278 4.556 -0.004 0.000 0.372 286 H C -2.031 173.364 175.328 0.111 0.000 1.173 286 H CA -1.196 54.958 56.048 0.176 0.000 1.147 286 H CB 0.840 30.643 29.762 0.068 0.000 1.805 286 H HN 0.564 nan 8.280 nan 0.000 0.553 287 P HA 0.243 nan 4.420 nan 0.000 0.277 287 P C -0.843 176.617 177.300 0.267 0.000 1.271 287 P CA -0.385 62.864 63.100 0.247 0.000 0.795 287 P CB 1.411 33.199 31.700 0.146 0.000 1.101 288 H N -0.943 118.152 119.070 0.042 0.000 2.538 288 H HA 0.251 4.806 4.556 -0.003 0.000 0.353 288 H C 0.140 175.482 175.328 0.022 0.000 1.109 288 H CA -0.738 55.312 56.048 0.004 0.000 1.192 288 H CB 2.042 31.808 29.762 0.006 0.000 1.555 288 H HN 0.484 nan 8.280 nan 0.000 0.518 289 S N 1.569 117.299 115.700 0.049 0.000 2.566 289 S HA 0.172 4.638 4.470 -0.007 0.000 0.280 289 S C 0.711 175.337 174.600 0.044 0.000 1.343 289 S CA -0.705 57.511 58.200 0.026 0.000 1.036 289 S CB 0.768 63.956 63.200 -0.020 0.000 0.866 289 S HN 0.717 nan 8.310 nan 0.000 0.526 290 A N 3.463 126.290 122.820 0.011 0.000 2.587 290 A HA 0.368 4.684 4.320 -0.007 0.000 0.233 290 A C -1.304 176.247 177.584 -0.055 0.000 1.049 290 A CA -0.821 51.196 52.037 -0.034 0.000 0.754 290 A CB -0.887 18.088 19.000 -0.042 0.000 0.977 290 A HN 0.769 nan 8.150 nan 0.000 0.509 291 P HA 0.256 nan 4.420 nan 0.000 0.274 291 P C 0.833 178.089 177.300 -0.074 0.000 1.237 291 P CA 0.358 63.404 63.100 -0.090 0.000 0.793 291 P CB 0.983 32.569 31.700 -0.191 0.000 0.977 292 A N 2.090 124.890 122.820 -0.034 0.000 1.917 292 A HA 0.064 4.379 4.320 -0.007 0.000 0.219 292 A C 1.211 178.775 177.584 -0.033 0.000 1.182 292 A CA 1.950 53.970 52.037 -0.028 0.000 0.633 292 A CB -1.020 17.972 19.000 -0.014 0.000 0.819 292 A HN 0.787 nan 8.150 nan 0.000 0.448 293 A N -1.353 121.447 122.820 -0.033 0.000 2.398 293 A HA 0.616 4.932 4.320 -0.007 0.000 0.301 293 A C -0.329 177.221 177.584 -0.057 0.000 1.041 293 A CA 0.128 52.148 52.037 -0.029 0.000 0.711 293 A CB 1.296 20.297 19.000 0.001 0.000 1.240 293 A HN 0.485 nan 8.150 nan 0.000 0.420 294 S N 2.306 117.963 115.700 -0.072 0.000 2.566 294 S HA 0.704 5.170 4.470 -0.007 0.000 0.324 294 S C -0.726 173.901 174.600 0.045 0.000 1.081 294 S CA -0.388 57.765 58.200 -0.079 0.000 1.105 294 S CB -0.230 62.854 63.200 -0.193 0.000 0.981 294 S HN 0.502 nan 8.310 nan 0.000 0.464 295 I N 3.901 124.523 120.570 0.086 0.000 2.530 295 I HA 0.372 4.538 4.170 -0.007 0.000 0.297 295 I C -0.483 175.701 176.117 0.113 0.000 1.011 295 I CA -0.994 60.377 61.300 0.118 0.000 1.107 295 I CB 1.682 39.734 38.000 0.087 0.000 1.285 295 I HN 0.599 nan 8.210 nan 0.000 0.436 296 H N 3.661 122.756 119.070 0.042 0.000 2.683 296 H HA 0.606 5.158 4.556 -0.007 0.000 0.339 296 H C -0.164 175.183 175.328 0.031 0.000 1.081 296 H CA 0.071 56.142 56.048 0.038 0.000 1.432 296 H CB 1.003 30.782 29.762 0.027 0.000 1.462 296 H HN 0.692 nan 8.280 nan 0.000 0.557 297 A N 2.755 125.623 122.820 0.080 0.000 2.515 297 A HA 0.668 4.984 4.320 -0.007 0.000 0.296 297 A C -1.251 176.358 177.584 0.041 0.000 1.094 297 A CA -0.684 51.385 52.037 0.052 0.000 0.718 297 A CB 1.401 20.416 19.000 0.025 0.000 1.307 297 A HN 0.478 nan 8.150 nan 0.000 0.408 298 V N 1.479 121.413 119.914 0.033 0.000 2.407 298 V HA 0.314 4.430 4.120 -0.007 0.000 0.291 298 V C -0.264 175.839 176.094 0.014 0.000 1.018 298 V CA -0.615 61.700 62.300 0.025 0.000 0.842 298 V CB 1.531 33.370 31.823 0.027 0.000 0.996 298 V HN 0.666 nan 8.190 nan 0.000 0.426 299 V N 6.901 126.820 119.914 0.008 0.000 2.421 299 V HA 0.108 4.223 4.120 -0.007 0.000 0.271 299 V C 1.158 177.255 176.094 0.004 0.000 1.031 299 V CA 0.371 62.673 62.300 0.004 0.000 1.032 299 V CB 0.686 32.508 31.823 -0.001 0.000 1.009 299 V HN 0.754 nan 8.190 nan 0.000 0.477 300 L N 3.683 124.909 121.223 0.004 0.000 2.354 300 L HA 0.294 4.630 4.340 -0.007 0.000 0.212 300 L C 0.956 177.826 176.870 -0.000 0.000 1.091 300 L CA 0.676 55.518 54.840 0.003 0.000 0.828 300 L CB 0.052 42.114 42.059 0.004 0.000 0.973 300 L HN 0.615 nan 8.230 nan 0.000 0.461 301 K N -0.465 119.934 120.400 -0.002 0.000 2.583 301 K HA 0.279 4.595 4.320 -0.007 0.000 0.260 301 K C -1.513 175.083 176.600 -0.006 0.000 0.931 301 K CA -0.321 55.963 56.287 -0.005 0.000 0.849 301 K CB 1.979 34.476 32.500 -0.005 0.000 1.347 301 K HN -0.303 nan 8.250 nan 0.000 0.425 302 T N 2.309 116.857 114.554 -0.010 0.000 2.812 302 T HA 0.436 4.782 4.350 -0.007 0.000 0.282 302 T C -1.204 173.483 174.700 -0.022 0.000 0.990 302 T CA -0.404 61.688 62.100 -0.012 0.000 0.960 302 T CB 1.611 70.472 68.868 -0.012 0.000 0.948 302 T HN 0.473 nan 8.240 nan 0.000 0.438 303 T N 5.549 120.087 114.554 -0.026 0.000 3.008 303 T HA 0.397 4.743 4.350 -0.007 0.000 0.328 303 T C -2.727 171.930 174.700 -0.071 0.000 1.020 303 T CA -1.219 60.853 62.100 -0.046 0.000 1.043 303 T CB 1.273 70.115 68.868 -0.042 0.000 1.010 303 T HN 0.221 nan 8.240 nan 0.000 0.466 304 P HA 0.246 nan 4.420 nan 0.000 0.265 304 P C -0.035 177.177 177.300 -0.148 0.000 1.193 304 P CA -0.286 62.759 63.100 -0.092 0.000 0.765 304 P CB 0.790 32.446 31.700 -0.074 0.000 0.823 305 K N 1.809 122.063 120.400 -0.243 0.000 2.158 305 K HA 0.593 4.909 4.320 -0.007 0.000 0.243 305 K C 1.325 177.813 176.600 -0.187 0.000 1.079 305 K CA -0.857 55.240 56.287 -0.316 0.000 0.920 305 K CB -0.142 31.927 32.500 -0.719 0.000 1.400 305 K HN 0.192 nan 8.250 nan 0.000 0.561 306 A N 0.660 123.343 122.820 -0.229 0.000 1.873 306 A HA -0.146 4.170 4.320 -0.007 0.000 0.215 306 A C 1.876 179.287 177.584 -0.288 0.000 1.186 306 A CA 2.272 54.220 52.037 -0.148 0.000 0.616 306 A CB -0.234 18.667 19.000 -0.165 0.000 0.823 306 A HN 0.638 nan 8.150 nan 0.000 0.442 307 R N -1.170 119.066 120.500 -0.440 0.000 2.521 307 R HA 0.181 4.517 4.340 -0.007 0.000 0.289 307 R C -0.106 176.076 176.300 -0.198 0.000 0.936 307 R CA 0.531 56.271 56.100 -0.600 0.000 1.089 307 R CB 0.142 29.769 30.300 -1.122 0.000 1.348 307 R HN 0.785 nan 8.270 nan 0.000 0.536 308 H N -2.381 116.582 119.070 -0.178 0.000 2.941 308 H HA 0.595 5.147 4.556 -0.006 0.000 0.344 308 H C -1.419 173.873 175.328 -0.059 0.000 1.235 308 H CA -0.925 55.062 56.048 -0.101 0.000 1.149 308 H CB 1.683 31.383 29.762 -0.103 0.000 1.885 308 H HN -0.137 nan 8.280 nan 0.000 0.558 309 T N 0.737 115.324 114.554 0.056 0.000 2.807 309 T HA 0.214 4.560 4.350 -0.007 0.000 0.279 309 T C -0.615 174.156 174.700 0.119 0.000 0.993 309 T CA -0.813 61.294 62.100 0.011 0.000 0.970 309 T CB 1.397 70.270 68.868 0.008 0.000 0.950 309 T HN 0.633 nan 8.240 nan 0.000 0.441 310 E N 3.143 123.385 120.200 0.070 0.000 2.167 310 E HA 0.386 4.732 4.350 -0.007 0.000 0.284 310 E C -0.869 175.750 176.600 0.032 0.000 1.016 310 E CA -0.408 56.044 56.400 0.087 0.000 0.817 310 E CB 0.479 30.217 29.700 0.063 0.000 1.080 310 E HN 0.513 nan 8.360 nan 0.000 0.397 311 I N 3.061 123.647 120.570 0.027 0.000 2.378 311 I HA 0.165 4.331 4.170 -0.007 0.000 0.291 311 I C 0.082 176.203 176.117 0.007 0.000 0.992 311 I CA -0.616 60.691 61.300 0.011 0.000 1.154 311 I CB 1.950 39.954 38.000 0.007 0.000 1.315 311 I HN 0.323 nan 8.210 nan 0.000 0.448 312 S N 6.982 122.685 115.700 0.004 0.000 2.499 312 S HA 0.660 5.126 4.470 -0.007 0.000 0.279 312 S C -0.676 173.927 174.600 0.005 0.000 1.219 312 S CA -0.450 57.752 58.200 0.004 0.000 1.062 312 S CB 0.541 63.742 63.200 0.002 0.000 0.978 312 S HN 0.454 nan 8.310 nan 0.000 0.489 313 L N 4.198 125.426 121.223 0.008 0.000 2.422 313 L HA 0.579 4.915 4.340 -0.007 0.000 0.264 313 L C -0.388 176.491 176.870 0.015 0.000 0.984 313 L CA -0.761 54.085 54.840 0.010 0.000 0.819 313 L CB 2.261 44.326 42.059 0.011 0.000 1.330 313 L HN 0.628 nan 8.230 nan 0.000 0.410 314 R N 2.545 123.056 120.500 0.018 0.000 2.288 314 R HA 0.740 5.076 4.340 -0.007 0.000 0.326 314 R C -1.146 175.173 176.300 0.032 0.000 0.959 314 R CA -0.229 55.885 56.100 0.023 0.000 0.834 314 R CB 1.477 31.790 30.300 0.022 0.000 1.157 314 R HN 0.678 nan 8.270 nan 0.000 0.470 315 A N 3.175 126.015 122.820 0.034 0.000 2.393 315 A HA 0.672 4.988 4.320 -0.007 0.000 0.306 315 A C 0.589 178.199 177.584 0.044 0.000 1.050 315 A CA -0.056 52.008 52.037 0.045 0.000 0.724 315 A CB 1.493 20.518 19.000 0.042 0.000 1.248 315 A HN 0.926 nan 8.150 nan 0.000 0.424 316 G N 1.203 110.035 108.800 0.053 0.000 2.793 316 G HA2 -0.282 3.674 3.960 -0.007 0.000 0.334 316 G HA3 -0.282 3.674 3.960 -0.007 0.000 0.334 316 G C 0.304 175.223 174.900 0.031 0.000 1.186 316 G CA 1.067 46.192 45.100 0.042 0.000 0.960 316 G HN 1.104 nan 8.290 nan 0.000 0.562 317 Q N 1.080 120.895 119.800 0.026 0.000 2.227 317 Q HA 0.470 4.806 4.340 -0.007 0.000 0.332 317 Q C 0.076 176.088 176.000 0.021 0.000 0.878 317 Q CA 0.681 56.497 55.803 0.021 0.000 1.120 317 Q CB 1.016 29.765 28.738 0.017 0.000 1.315 317 Q HN 0.693 nan 8.270 nan 0.000 0.414 318 T N -1.065 113.503 114.554 0.023 0.000 2.821 318 T HA 0.575 4.921 4.350 -0.007 0.000 0.306 318 T C -1.380 173.332 174.700 0.021 0.000 1.313 318 T CA -0.384 61.729 62.100 0.021 0.000 1.012 318 T CB 1.908 70.790 68.868 0.023 0.000 1.298 318 T HN -0.099 nan 8.240 nan 0.000 0.502 319 V N 4.102 124.026 119.914 0.017 0.000 2.417 319 V HA 0.616 4.731 4.120 -0.007 0.000 0.291 319 V C -0.366 175.736 176.094 0.014 0.000 1.024 319 V CA -0.604 61.705 62.300 0.015 0.000 0.861 319 V CB 1.046 32.876 31.823 0.012 0.000 0.985 319 V HN 0.697 nan 8.190 nan 0.000 0.436 320 L N 3.177 124.409 121.223 0.014 0.000 2.319 320 L HA 0.821 5.157 4.340 -0.007 0.000 0.267 320 L C 0.114 176.989 176.870 0.007 0.000 1.011 320 L CA -0.620 54.226 54.840 0.011 0.000 0.818 320 L CB 2.034 44.101 42.059 0.013 0.000 1.316 320 L HN 0.616 nan 8.230 nan 0.000 0.432 321 T N 1.505 116.061 114.554 0.004 0.000 2.779 321 T HA 0.716 5.062 4.350 -0.007 0.000 0.280 321 T C -0.747 173.950 174.700 -0.003 0.000 0.987 321 T CA -0.435 61.666 62.100 0.002 0.000 0.966 321 T CB 0.454 69.323 68.868 0.001 0.000 0.933 321 T HN 0.459 nan 8.240 nan 0.000 0.442 322 L N 4.245 125.468 121.223 -0.001 0.000 2.333 322 L HA 0.578 4.914 4.340 -0.007 0.000 0.269 322 L C 0.171 177.037 176.870 -0.007 0.000 1.010 322 L CA -1.126 53.708 54.840 -0.009 0.000 0.818 322 L CB 1.928 43.984 42.059 -0.004 0.000 1.306 322 L HN 0.702 nan 8.230 nan 0.000 0.430 323 N N 2.580 121.255 118.700 -0.042 0.000 2.446 323 N HA 0.670 5.406 4.740 -0.007 0.000 0.265 323 N C -1.382 174.106 175.510 -0.037 0.000 0.975 323 N CA -0.470 52.547 53.050 -0.055 0.000 0.928 323 N CB 1.607 39.908 38.487 -0.309 0.000 1.160 323 N HN 0.317 nan 8.380 nan 0.000 0.495 324 L N 2.871 124.112 121.223 0.030 0.000 2.371 324 L HA 0.469 4.805 4.340 -0.007 0.000 0.262 324 L C -1.670 175.228 176.870 0.047 0.000 1.006 324 L CA -2.048 52.803 54.840 0.019 0.000 0.818 324 L CB 2.610 44.675 42.059 0.010 0.000 1.354 324 L HN 0.301 nan 8.230 nan 0.000 0.415 325 P HA -0.122 nan 4.420 nan 0.000 0.217 325 P C -0.150 177.173 177.300 0.038 0.000 1.148 325 P CA 1.002 64.126 63.100 0.040 0.000 0.828 325 P CB 0.216 31.936 31.700 0.033 0.000 0.783 326 S N -3.804 111.913 115.700 0.027 0.000 2.643 326 S HA 0.714 5.180 4.470 -0.007 0.000 0.270 326 S C -1.069 173.537 174.600 0.010 0.000 1.166 326 S CA -0.832 57.380 58.200 0.020 0.000 0.815 326 S CB 1.209 64.419 63.200 0.017 0.000 1.139 326 S HN 0.077 nan 8.310 nan 0.000 0.472 327 A N 1.461 124.284 122.820 0.004 0.000 2.322 327 A HA 0.819 5.134 4.320 -0.007 0.000 0.269 327 A C -2.228 175.348 177.584 -0.012 0.000 1.094 327 A CA -1.361 50.674 52.037 -0.004 0.000 0.807 327 A CB -0.925 18.072 19.000 -0.004 0.000 1.047 327 A HN 0.743 nan 8.150 nan 0.000 0.487 328 P HA 0.319 nan 4.420 nan 0.000 0.274 328 P C -0.630 176.655 177.300 -0.025 0.000 1.237 328 P CA -0.125 62.956 63.100 -0.031 0.000 0.793 328 P CB 0.450 32.125 31.700 -0.043 0.000 0.977 329 T N 2.410 116.948 114.554 -0.027 0.000 2.727 329 T HA 0.405 4.751 4.350 -0.007 0.000 0.298 329 T C 0.062 174.749 174.700 -0.022 0.000 0.942 329 T CA -0.327 61.760 62.100 -0.021 0.000 0.997 329 T CB -0.295 68.560 68.868 -0.021 0.000 0.917 329 T HN 0.193 nan 8.240 nan 0.000 0.487 330 L N 3.314 124.527 121.223 -0.017 0.000 2.324 330 L HA 0.288 4.624 4.340 -0.007 0.000 0.274 330 L C 1.682 178.547 176.870 -0.008 0.000 1.012 330 L CA -0.831 54.001 54.840 -0.014 0.000 0.859 330 L CB 1.204 43.256 42.059 -0.013 0.000 1.224 330 L HN 0.717 nan 8.230 nan 0.000 0.429 331 S N -0.548 115.148 115.700 -0.007 0.000 2.461 331 S HA -0.243 4.223 4.470 -0.007 0.000 0.249 331 S C 1.137 175.737 174.600 -0.001 0.000 1.012 331 S CA 1.641 59.839 58.200 -0.003 0.000 0.982 331 S CB -0.092 63.107 63.200 -0.001 0.000 0.764 331 S HN 0.709 nan 8.310 nan 0.000 0.506 332 D N 0.565 120.965 120.400 0.001 0.000 2.355 332 D HA 0.235 4.871 4.640 -0.007 0.000 0.206 332 D C 1.708 178.009 176.300 0.002 0.000 1.010 332 D CA 1.000 55.002 54.000 0.004 0.000 0.875 332 D CB -0.024 40.781 40.800 0.008 0.000 0.966 332 D HN 0.515 nan 8.370 nan 0.000 0.512 333 G N 0.849 109.648 108.800 -0.001 0.000 2.234 333 G HA2 -0.332 3.624 3.960 -0.007 0.000 0.260 333 G HA3 -0.332 3.624 3.960 -0.007 0.000 0.260 333 G C 1.095 175.994 174.900 -0.001 0.000 0.987 333 G CA 0.938 46.037 45.100 -0.003 0.000 0.625 333 G HN 0.528 nan 8.290 nan 0.000 0.532 334 I N -3.879 116.692 120.570 0.002 0.000 4.922 334 I HA 0.520 4.686 4.170 -0.007 0.000 0.331 334 I C 0.624 176.746 176.117 0.008 0.000 1.260 334 I CA 0.298 61.601 61.300 0.005 0.000 1.366 334 I CB 0.605 38.610 38.000 0.008 0.000 1.386 334 I HN -0.015 nan 8.210 nan 0.000 0.483 335 S N 2.633 118.339 115.700 0.010 0.000 2.465 335 S HA 0.820 5.286 4.470 -0.007 0.000 0.279 335 S C 0.003 174.599 174.600 -0.006 0.000 1.201 335 S CA -0.160 58.051 58.200 0.017 0.000 1.053 335 S CB 1.122 64.342 63.200 0.034 0.000 0.953 335 S HN 0.569 nan 8.310 nan 0.000 0.488 336 A N 3.163 125.972 122.820 -0.018 0.000 2.532 336 A HA 0.856 5.172 4.320 -0.007 0.000 0.290 336 A C -1.200 176.322 177.584 -0.104 0.000 1.143 336 A CA -0.737 51.267 52.037 -0.055 0.000 0.728 336 A CB 1.251 20.226 19.000 -0.043 0.000 1.317 336 A HN 0.565 nan 8.150 nan 0.000 0.414 337 V N 1.115 120.954 119.914 -0.126 0.000 2.444 337 V HA 0.444 4.560 4.120 -0.007 0.000 0.294 337 V C -0.731 175.344 176.094 -0.033 0.000 1.022 337 V CA -0.475 61.752 62.300 -0.123 0.000 0.850 337 V CB 1.170 32.940 31.823 -0.089 0.000 0.992 337 V HN 0.793 nan 8.190 nan 0.000 0.426 338 L N 5.541 126.790 121.223 0.043 0.000 2.290 338 L HA 0.485 4.821 4.340 -0.007 0.000 0.284 338 L C -0.119 176.895 176.870 0.240 0.000 1.078 338 L CA 0.456 55.341 54.840 0.076 0.000 0.815 338 L CB 0.134 42.226 42.059 0.055 0.000 1.162 338 L HN 0.655 nan 8.230 nan 0.000 0.435 339 H N 5.091 124.159 119.070 -0.004 0.000 2.457 339 H HA 0.458 5.010 4.556 -0.008 0.000 0.335 339 H C -1.039 174.299 175.328 0.016 0.000 1.115 339 H CA -1.225 54.828 56.048 0.009 0.000 1.219 339 H CB 1.902 31.675 29.762 0.018 0.000 1.471 339 H HN 0.372 nan 8.280 nan 0.000 0.491 340 L N 2.816 124.110 121.223 0.118 0.000 2.296 340 L HA 0.117 4.453 4.340 -0.007 0.000 0.286 340 L C -0.179 176.725 176.870 0.057 0.000 1.023 340 L CA -0.426 54.457 54.840 0.072 0.000 0.812 340 L CB 1.211 43.296 42.059 0.043 0.000 1.223 340 L HN 0.641 nan 8.230 nan 0.000 0.421 341 D N 3.245 123.680 120.400 0.058 0.000 2.396 341 D HA 0.552 5.188 4.640 -0.007 0.000 0.225 341 D C 0.374 176.684 176.300 0.018 0.000 1.121 341 D CA 0.718 54.743 54.000 0.041 0.000 0.853 341 D CB 0.725 41.557 40.800 0.052 0.000 1.043 341 D HN 0.784 nan 8.370 nan 0.000 0.500 342 G N 3.967 112.770 108.800 0.004 0.000 2.730 342 G HA2 -0.121 3.835 3.960 -0.007 0.000 0.686 342 G HA3 -0.121 3.835 3.960 -0.007 0.000 0.686 342 G C -2.485 172.414 174.900 -0.002 0.000 1.343 342 G CA -0.751 44.347 45.100 -0.003 0.000 0.826 342 G HN 0.547 nan 8.290 nan 0.000 0.582 343 P HA 0.536 nan 4.420 nan 0.000 0.271 343 P C 0.417 177.714 177.300 -0.004 0.000 1.218 343 P CA 0.559 63.653 63.100 -0.010 0.000 0.780 343 P CB 1.009 32.698 31.700 -0.019 0.000 0.901 344 A N 2.981 125.802 122.820 0.002 0.000 2.259 344 A HA 0.508 4.824 4.320 -0.007 0.000 0.278 344 A C 0.206 177.781 177.584 -0.014 0.000 1.107 344 A CA -0.672 51.371 52.037 0.010 0.000 0.828 344 A CB -0.033 18.986 19.000 0.031 0.000 1.111 344 A HN 0.557 nan 8.150 nan 0.000 0.498 345 L N -0.300 120.901 121.223 -0.037 0.000 2.343 345 L HA 0.527 4.863 4.340 -0.007 0.000 0.275 345 L C -0.757 175.999 176.870 -0.190 0.000 1.056 345 L CA -0.215 54.520 54.840 -0.175 0.000 0.804 345 L CB 1.212 43.125 42.059 -0.243 0.000 1.203 345 L HN 0.699 nan 8.230 nan 0.000 0.440 346 F N 2.305 121.961 119.950 -0.489 0.000 2.518 346 F HA 0.549 5.072 4.527 -0.008 0.000 0.323 346 F C -1.258 174.216 175.800 -0.543 0.000 1.129 346 F CA -0.683 57.094 58.000 -0.371 0.000 0.920 346 F CB 1.144 40.037 39.000 -0.178 0.000 1.160 346 F HN 0.094 nan 8.300 nan 0.000 0.440 347 F N 6.033 125.500 119.950 -0.804 0.000 2.427 347 F HA 0.478 5.001 4.527 -0.007 0.000 0.348 347 F C -2.128 173.181 175.800 -0.818 0.000 1.125 347 F CA -2.205 55.442 58.000 -0.589 0.000 0.989 347 F CB 1.000 39.817 39.000 -0.306 0.000 1.165 347 F HN 0.327 nan 8.300 nan 0.000 0.442 348 P HA 0.168 nan 4.420 nan 0.000 0.269 348 P C 0.134 177.398 177.300 -0.061 0.000 1.252 348 P CA -0.106 62.917 63.100 -0.127 0.000 0.780 348 P CB 0.658 32.397 31.700 0.066 0.000 0.829 349 G N 2.596 111.355 108.800 -0.069 0.000 3.818 349 G HA2 0.025 3.981 3.960 -0.007 0.000 0.338 349 G HA3 0.025 3.981 3.960 -0.007 0.000 0.338 349 G C 0.224 175.108 174.900 -0.027 0.000 1.318 349 G CA -0.385 44.684 45.100 -0.051 0.000 1.242 349 G HN 0.276 nan 8.290 nan 0.000 0.493 350 N N 1.417 120.108 118.700 -0.015 0.000 2.634 350 N HA -0.035 4.701 4.740 -0.007 0.000 0.312 350 N C 0.832 176.334 175.510 -0.014 0.000 1.186 350 N CA 0.418 53.464 53.050 -0.007 0.000 1.168 350 N CB 0.027 38.512 38.487 -0.004 0.000 1.436 350 N HN 0.381 nan 8.380 nan 0.000 0.514 351 T N 0.000 114.546 114.554 -0.013 0.000 3.816 351 T HA 0.000 4.346 4.350 -0.007 0.000 0.228 351 T CA 0.000 62.090 62.100 -0.016 0.000 1.349 351 T CB 0.000 68.856 68.868 -0.019 0.000 0.612 351 T HN 0.000 nan 8.240 nan 0.000 0.658