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 3a47_1_A DATA FIRST_RESID 4 DATA SEQUENCE SSAHPETEPK WWKEATFYQI YPASFKDSND DGWGDMKGIA SKLEYIKELG DATA SEQUENCE ADAIWISPFY DSPQDDMGYD IANYEKVWPT YGTNEDCFAL IEKTHKLGMK DATA SEQUENCE FITDLVINHC SSEHEWFKES RSSKTNPKRD WFFWRPPKGY DAEGKPIPPN DATA SEQUENCE NWKSYFGGSA WTFDEKTQEF YLRLFCSTQP DLNWENEDCR KAIYESAVGY DATA SEQUENCE WLDHGVDGFR IDVGSLYSKV VGLPDAPVVD KNSTWQSSDP YTLNGPRIHE DATA SEQUENCE FHQEMNQFIR NRVKDGREIM TVGEMQHASD ETKRLYTSAS RHELSELFNF DATA SEQUENCE SHTDVGTSPL FRYNLVPFEL KDWKIALAEL FRYINGTDCW STIYLENHDQ DATA SEQUENCE PRSITRFGDD SPKNRVISGK LLSVLLSALT GTLYVYQGQE LGQINFKNWP DATA SEQUENCE VEKYEDVEIR NNYNAIKEEH GENSEEMKKF LEAIALISRD HARTPMQWSR DATA SEQUENCE EEPNAGFSGP SAKPWFYLND SFREGINVED EIKDPNSVLN FWKEALKFRK DATA SEQUENCE AHKDITVYGY DFEFIDLDNK KLFSFTKKYN NKTLFAALNF SSDATDFKIP DATA SEQUENCE NDDSSFKLEF GNYPKKEVDA SSRTLKPWEG RIYISE 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.512 174.600 -0.147 0.000 1.055 4 S CA 0.000 58.050 58.200 -0.250 0.000 1.107 4 S CB 0.000 62.929 63.200 -0.452 0.000 0.593 5 S N 2.057 117.700 115.700 -0.094 0.000 2.414 5 S HA 0.338 4.771 4.470 -0.061 0.000 0.227 5 S C 1.747 176.292 174.600 -0.093 0.000 1.022 5 S CA 0.830 58.986 58.200 -0.074 0.000 0.958 5 S CB -0.198 62.970 63.200 -0.053 0.000 0.797 5 S HN 0.905 nan 8.310 nan 0.000 0.493 6 A N 1.055 123.802 122.820 -0.121 0.000 2.291 6 A HA 0.133 4.416 4.320 -0.061 0.000 0.220 6 A C 0.102 177.401 177.584 -0.475 0.000 1.262 6 A CA 0.131 52.033 52.037 -0.225 0.000 0.867 6 A CB -0.218 18.659 19.000 -0.205 0.000 0.888 6 A HN 0.458 nan 8.150 nan 0.000 0.487 7 H N -0.575 118.335 119.070 -0.266 0.000 2.569 7 H HA 0.178 4.697 4.556 -0.061 0.000 0.247 7 H C -2.313 172.935 175.328 -0.133 0.000 1.346 7 H CA -1.374 54.504 56.048 -0.283 0.000 1.502 7 H CB 1.121 30.489 29.762 -0.656 0.000 1.512 7 H HN 0.185 nan 8.280 nan 0.000 0.502 8 P HA -0.167 nan 4.420 nan 0.000 0.222 8 P C 1.669 179.010 177.300 0.068 0.000 1.147 8 P CA 0.874 63.977 63.100 0.005 0.000 0.790 8 P CB 0.375 32.070 31.700 -0.007 0.000 0.780 9 E N 0.105 120.395 120.200 0.150 0.000 2.338 9 E HA -0.151 4.163 4.350 -0.061 0.000 0.197 9 E C 1.184 177.991 176.600 0.345 0.000 1.007 9 E CA 1.755 58.336 56.400 0.301 0.000 0.849 9 E CB -1.500 28.436 29.700 0.394 0.000 0.774 9 E HN 0.305 nan 8.360 nan 0.000 0.506 10 T N -1.221 113.482 114.554 0.249 0.000 3.118 10 T HA -0.056 4.257 4.350 -0.061 0.000 0.260 10 T C 0.819 175.425 174.700 -0.156 0.000 1.139 10 T CA 0.134 62.353 62.100 0.198 0.000 1.085 10 T CB -0.251 68.762 68.868 0.243 0.000 0.934 10 T HN 0.250 nan 8.240 nan 0.000 0.518 11 E N 3.192 123.317 120.200 -0.124 0.000 2.406 11 E HA 0.129 4.442 4.350 -0.061 0.000 0.258 11 E C -2.451 173.934 176.600 -0.358 0.000 1.043 11 E CA -2.038 54.237 56.400 -0.209 0.000 0.929 11 E CB 0.407 30.032 29.700 -0.126 0.000 0.969 11 E HN 0.243 nan 8.360 nan 0.000 0.462 12 P HA 0.083 nan 4.420 nan 0.000 0.271 12 P C -1.099 175.982 177.300 -0.364 0.000 1.216 12 P CA 0.128 62.964 63.100 -0.441 0.000 0.776 12 P CB 0.661 32.140 31.700 -0.368 0.000 0.881 13 K N 2.017 122.127 120.400 -0.484 0.000 2.508 13 K HA 0.139 4.422 4.320 -0.061 0.000 0.260 13 K C 1.076 177.335 176.600 -0.570 0.000 0.949 13 K CA -0.640 55.240 56.287 -0.678 0.000 0.834 13 K CB 1.348 32.971 32.500 -1.462 0.000 1.365 13 K HN 0.636 nan 8.250 nan 0.000 0.437 14 W N 2.814 123.928 121.300 -0.310 0.000 2.321 14 W HA -0.173 4.451 4.660 -0.061 0.000 0.306 14 W C 1.010 177.502 176.519 -0.045 0.000 1.217 14 W CA 1.342 58.626 57.345 -0.102 0.000 1.257 14 W CB -0.546 28.938 29.460 0.040 0.000 1.145 14 W HN 0.774 nan 8.180 nan 0.000 0.509 15 W N 1.370 122.189 121.300 -0.801 0.000 2.905 15 W HA 0.199 4.822 4.660 -0.062 0.000 0.251 15 W C 1.623 177.993 176.519 -0.248 0.000 1.305 15 W CA 0.420 57.287 57.345 -0.797 0.000 1.465 15 W CB -1.080 27.567 29.460 -1.355 0.000 1.122 15 W HN -0.035 nan 8.180 nan 0.000 0.659 16 K N 1.561 121.532 120.400 -0.714 0.000 2.076 16 K HA -0.143 4.140 4.320 -0.061 0.000 0.204 16 K C 1.888 178.383 176.600 -0.175 0.000 1.051 16 K CA 2.018 57.899 56.287 -0.676 0.000 0.949 16 K CB -0.141 31.446 32.500 -1.521 0.000 0.726 16 K HN 0.281 nan 8.250 nan 0.000 0.443 17 E N 0.456 120.549 120.200 -0.178 0.000 2.481 17 E HA 0.186 4.499 4.350 -0.061 0.000 0.198 17 E C -0.091 176.547 176.600 0.062 0.000 1.027 17 E CA -0.282 56.074 56.400 -0.074 0.000 0.900 17 E CB 0.443 30.122 29.700 -0.036 0.000 0.993 17 E HN 0.051 nan 8.360 nan 0.000 0.482 18 A N 1.472 124.381 122.820 0.148 0.000 2.477 18 A HA 0.205 4.488 4.320 -0.061 0.000 0.246 18 A C 0.110 177.791 177.584 0.161 0.000 1.078 18 A CA -0.072 52.059 52.037 0.157 0.000 0.770 18 A CB 0.336 19.466 19.000 0.216 0.000 1.011 18 A HN 0.144 nan 8.150 nan 0.000 0.494 19 T N 3.474 118.082 114.554 0.089 0.000 2.743 19 T HA 0.450 4.763 4.350 -0.061 0.000 0.293 19 T C -0.541 174.204 174.700 0.075 0.000 0.945 19 T CA 0.389 62.570 62.100 0.136 0.000 1.030 19 T CB -0.271 68.681 68.868 0.141 0.000 0.912 19 T HN 0.338 nan 8.240 nan 0.000 0.483 20 F N 2.645 122.575 119.950 -0.034 0.000 2.385 20 F HA 0.430 4.919 4.527 -0.063 0.000 0.336 20 F C 0.005 175.916 175.800 0.186 0.000 1.100 20 F CA -1.018 56.997 58.000 0.026 0.000 1.116 20 F CB 0.855 39.704 39.000 -0.251 0.000 1.166 20 F HN 0.498 nan 8.300 nan 0.000 0.511 21 Y N 3.642 124.084 120.300 0.235 0.000 2.328 21 Y HA 0.296 4.808 4.550 -0.064 0.000 0.337 21 Y C -0.351 175.639 175.900 0.150 0.000 0.966 21 Y CA -0.751 57.437 58.100 0.147 0.000 1.136 21 Y CB 0.940 39.419 38.460 0.033 0.000 1.170 21 Y HN 0.550 nan 8.280 nan 0.000 0.470 22 Q N 6.774 126.451 119.800 -0.206 0.000 2.274 22 Q HA 0.473 4.776 4.340 -0.061 0.000 0.256 22 Q C -1.394 174.266 176.000 -0.567 0.000 0.927 22 Q CA -0.494 55.118 55.803 -0.319 0.000 0.939 22 Q CB 0.796 29.314 28.738 -0.368 0.000 1.201 22 Q HN 0.801 nan 8.270 nan 0.000 0.426 23 I N 3.902 124.200 120.570 -0.453 0.000 2.377 23 I HA 0.171 4.304 4.170 -0.061 0.000 0.293 23 I C -1.003 174.985 176.117 -0.216 0.000 0.987 23 I CA -0.910 60.126 61.300 -0.439 0.000 1.185 23 I CB 1.049 38.770 38.000 -0.464 0.000 1.341 23 I HN 0.620 nan 8.210 nan 0.000 0.455 24 Y N 9.569 129.758 120.300 -0.184 0.000 2.504 24 Y HA 0.339 4.855 4.550 -0.056 0.000 0.339 24 Y C -1.709 174.226 175.900 0.058 0.000 0.974 24 Y CA -2.503 55.588 58.100 -0.015 0.000 1.232 24 Y CB 0.906 39.468 38.460 0.170 0.000 1.108 24 Y HN 0.404 nan 8.280 nan 0.000 0.509 25 P HA -0.217 nan 4.420 nan 0.000 0.217 25 P C 1.149 178.402 177.300 -0.078 0.000 1.150 25 P CA 1.920 64.859 63.100 -0.268 0.000 0.832 25 P CB 0.189 31.471 31.700 -0.698 0.000 0.787 26 A N -0.131 122.632 122.820 -0.095 0.000 2.019 26 A HA -0.084 4.199 4.320 -0.061 0.000 0.219 26 A C 2.115 179.942 177.584 0.406 0.000 1.164 26 A CA 1.850 53.955 52.037 0.114 0.000 0.644 26 A CB -1.030 17.612 19.000 -0.596 0.000 0.805 26 A HN 0.237 nan 8.150 nan 0.000 0.449 27 S N -2.412 113.609 115.700 0.536 0.000 2.629 27 S HA 0.286 4.719 4.470 -0.061 0.000 0.236 27 S C 0.774 175.738 174.600 0.607 0.000 1.010 27 S CA -0.406 58.144 58.200 0.583 0.000 0.981 27 S CB -0.113 63.484 63.200 0.661 0.000 0.919 27 S HN 0.532 nan 8.310 nan 0.000 0.514 28 F N 2.661 122.928 119.950 0.527 0.000 2.148 28 F HA 0.486 4.972 4.527 -0.069 0.000 0.285 28 F C 0.450 176.693 175.800 0.738 0.000 1.092 28 F CA 0.726 59.032 58.000 0.509 0.000 1.218 28 F CB 0.312 39.515 39.000 0.338 0.000 1.059 28 F HN -0.075 nan 8.300 nan 0.000 0.490 29 K N 0.578 121.246 120.400 0.448 0.000 2.588 29 K HA 0.204 4.487 4.320 -0.061 0.000 0.250 29 K C -2.078 174.420 176.600 -0.171 0.000 0.972 29 K CA -0.517 55.772 56.287 0.003 0.000 0.821 29 K CB 0.994 33.315 32.500 -0.298 0.000 1.249 29 K HN 0.014 nan 8.250 nan 0.000 0.442 30 D N 1.689 121.730 120.400 -0.598 0.000 2.249 30 D HA 0.173 4.776 4.640 -0.061 0.000 0.246 30 D C 0.256 176.373 176.300 -0.306 0.000 1.114 30 D CA -0.077 53.653 54.000 -0.450 0.000 0.854 30 D CB 1.403 41.755 40.800 -0.747 0.000 1.132 30 D HN 0.478 nan 8.370 nan 0.000 0.461 31 S N 2.386 117.984 115.700 -0.171 0.000 2.523 31 S HA 0.005 4.438 4.470 -0.061 0.000 0.217 31 S C 0.611 175.145 174.600 -0.109 0.000 0.996 31 S CA -0.343 57.769 58.200 -0.146 0.000 0.921 31 S CB -0.184 62.949 63.200 -0.112 0.000 0.829 31 S HN 0.521 nan 8.310 nan 0.000 0.495 32 N N 0.045 118.692 118.700 -0.090 0.000 2.240 32 N HA 0.160 4.863 4.740 -0.061 0.000 0.240 32 N C -0.849 174.634 175.510 -0.046 0.000 1.277 32 N CA 0.054 53.067 53.050 -0.063 0.000 0.873 32 N CB -0.306 38.150 38.487 -0.052 0.000 1.222 32 N HN -0.042 nan 8.380 nan 0.000 0.507 33 D N 0.792 121.156 120.400 -0.060 0.000 2.911 33 D HA -0.170 4.433 4.640 -0.061 0.000 0.227 33 D C -0.109 176.206 176.300 0.025 0.000 1.164 33 D CA 1.533 55.513 54.000 -0.032 0.000 0.782 33 D CB -1.101 39.680 40.800 -0.032 0.000 1.094 33 D HN 0.758 nan 8.370 nan 0.000 0.425 34 D N -1.085 119.353 120.400 0.063 0.000 2.339 34 D HA 0.254 4.857 4.640 -0.061 0.000 0.217 34 D C 1.693 178.168 176.300 0.291 0.000 1.050 34 D CA 0.880 54.966 54.000 0.144 0.000 0.856 34 D CB -0.091 40.775 40.800 0.110 0.000 0.922 34 D HN 0.411 nan 8.370 nan 0.000 0.518 35 G N -0.545 108.400 108.800 0.242 0.000 2.176 35 G HA2 -0.259 3.664 3.960 -0.061 0.000 0.253 35 G HA3 -0.259 3.664 3.960 -0.061 0.000 0.253 35 G C -0.443 174.746 174.900 0.481 0.000 0.979 35 G CA 0.027 45.327 45.100 0.333 0.000 0.641 35 G HN 0.234 nan 8.290 nan 0.000 0.530 36 W N 1.049 122.554 121.300 0.341 0.000 2.478 36 W HA 0.654 5.275 4.660 -0.065 0.000 0.318 36 W C 0.900 177.619 176.519 0.333 0.000 1.062 36 W CA -0.135 57.463 57.345 0.423 0.000 1.210 36 W CB 1.272 30.881 29.460 0.248 0.000 1.325 36 W HN 0.448 nan 8.180 nan 0.000 0.496 37 G N 2.009 111.222 108.800 0.688 0.000 2.664 37 G HA2 0.402 4.325 3.960 -0.061 0.000 0.242 37 G HA3 0.402 4.325 3.960 -0.061 0.000 0.242 37 G C -0.769 174.372 174.900 0.402 0.000 1.225 37 G CA 0.031 45.398 45.100 0.445 0.000 0.849 37 G HN 0.544 nan 8.290 nan 0.000 0.581 38 D N -1.029 119.495 120.400 0.207 0.000 2.692 38 D HA 0.244 4.847 4.640 -0.061 0.000 0.303 38 D C 1.098 177.424 176.300 0.043 0.000 1.278 38 D CA -0.866 53.238 54.000 0.173 0.000 0.852 38 D CB 0.595 41.487 40.800 0.154 0.000 1.375 38 D HN 0.230 nan 8.370 nan 0.000 0.453 39 M N -0.653 118.950 119.600 0.005 0.000 2.175 39 M HA -0.035 4.409 4.480 -0.061 0.000 0.264 39 M C 1.871 178.158 176.300 -0.022 0.000 1.063 39 M CA 1.325 56.597 55.300 -0.046 0.000 1.119 39 M CB -0.302 32.239 32.600 -0.099 0.000 1.377 39 M HN 0.453 nan 8.290 nan 0.000 0.415 40 K N 0.798 121.183 120.400 -0.026 0.000 2.103 40 K HA -0.093 4.190 4.320 -0.061 0.000 0.207 40 K C 1.832 178.409 176.600 -0.039 0.000 1.048 40 K CA 1.819 58.085 56.287 -0.036 0.000 0.930 40 K CB -0.817 31.654 32.500 -0.047 0.000 0.716 40 K HN 0.306 nan 8.250 nan 0.000 0.444 41 G N 0.898 109.677 108.800 -0.034 0.000 2.446 41 G HA2 -0.229 3.694 3.960 -0.061 0.000 0.217 41 G HA3 -0.229 3.694 3.960 -0.061 0.000 0.217 41 G C 1.582 176.492 174.900 0.017 0.000 1.168 41 G CA 1.227 46.290 45.100 -0.062 0.000 0.771 41 G HN 0.340 nan 8.290 nan 0.000 0.551 42 I N 1.508 122.162 120.570 0.140 0.000 2.163 42 I HA -0.206 3.927 4.170 -0.061 0.000 0.243 42 I C 3.324 179.537 176.117 0.160 0.000 1.085 42 I CA 1.043 62.506 61.300 0.273 0.000 1.347 42 I CB -0.298 37.809 38.000 0.179 0.000 1.044 42 I HN 0.245 nan 8.210 nan 0.000 0.408 43 A N 0.822 123.682 122.820 0.065 0.000 1.908 43 A HA -0.262 4.021 4.320 -0.061 0.000 0.218 43 A C 2.462 180.058 177.584 0.020 0.000 1.181 43 A CA 2.373 54.432 52.037 0.037 0.000 0.627 43 A CB -0.937 18.064 19.000 0.001 0.000 0.818 43 A HN 0.553 nan 8.150 nan 0.000 0.445 44 S N -1.351 114.335 115.700 -0.024 0.000 2.507 44 S HA -0.024 4.409 4.470 -0.061 0.000 0.235 44 S C 1.277 175.824 174.600 -0.089 0.000 0.988 44 S CA 1.184 59.337 58.200 -0.078 0.000 0.944 44 S CB -0.020 63.091 63.200 -0.148 0.000 0.762 44 S HN 0.414 nan 8.310 nan 0.000 0.526 45 K N 0.601 120.992 120.400 -0.015 0.000 2.387 45 K HA 0.426 4.709 4.320 -0.061 0.000 0.203 45 K C 1.267 178.018 176.600 0.250 0.000 1.030 45 K CA -0.094 56.227 56.287 0.057 0.000 1.099 45 K CB -0.110 32.371 32.500 -0.032 0.000 0.863 45 K HN 0.376 nan 8.250 nan 0.000 0.529 46 L N 0.883 122.205 121.223 0.165 0.000 2.083 46 L HA -0.147 4.156 4.340 -0.061 0.000 0.209 46 L C 2.082 179.013 176.870 0.102 0.000 1.083 46 L CA 1.211 56.131 54.840 0.133 0.000 0.752 46 L CB -0.163 41.949 42.059 0.087 0.000 0.899 46 L HN 0.151 nan 8.230 nan 0.000 0.433 47 E N -0.447 119.810 120.200 0.096 0.000 2.110 47 E HA -0.262 4.051 4.350 -0.061 0.000 0.193 47 E C 1.986 178.645 176.600 0.099 0.000 0.988 47 E CA 1.378 57.822 56.400 0.074 0.000 0.804 47 E CB -0.307 29.429 29.700 0.061 0.000 0.745 47 E HN 0.525 nan 8.360 nan 0.000 0.458 48 Y N 1.497 121.829 120.300 0.052 0.000 2.128 48 Y HA -0.211 4.302 4.550 -0.061 0.000 0.284 48 Y C 2.163 178.076 175.900 0.022 0.000 1.154 48 Y CA 1.563 59.716 58.100 0.090 0.000 1.149 48 Y CB -0.342 38.247 38.460 0.216 0.000 0.976 48 Y HN -0.082 nan 8.280 nan 0.000 0.505 49 I N 0.178 120.730 120.570 -0.031 0.000 2.226 49 I HA -0.278 3.855 4.170 -0.061 0.000 0.245 49 I C 2.414 178.390 176.117 -0.234 0.000 1.100 49 I CA 1.716 62.835 61.300 -0.302 0.000 1.374 49 I CB -0.428 37.435 38.000 -0.227 0.000 1.057 49 I HN 0.120 nan 8.210 nan 0.000 0.413 50 K N 1.488 121.825 120.400 -0.105 0.000 2.026 50 K HA -0.199 4.084 4.320 -0.061 0.000 0.208 50 K C 1.897 178.446 176.600 -0.086 0.000 1.048 50 K CA 1.653 57.898 56.287 -0.070 0.000 0.929 50 K CB -0.143 32.343 32.500 -0.024 0.000 0.713 50 K HN 0.296 nan 8.250 nan 0.000 0.439 51 E N -0.150 119.988 120.200 -0.102 0.000 2.204 51 E HA -0.171 4.143 4.350 -0.061 0.000 0.195 51 E C 1.792 178.315 176.600 -0.129 0.000 0.990 51 E CA 0.906 57.252 56.400 -0.090 0.000 0.821 51 E CB -0.148 29.517 29.700 -0.059 0.000 0.750 51 E HN 0.198 nan 8.360 nan 0.000 0.477 52 L N -0.259 120.814 121.223 -0.250 0.000 2.083 52 L HA -0.064 4.239 4.340 -0.061 0.000 0.209 52 L C 1.476 178.313 176.870 -0.055 0.000 1.083 52 L CA 2.344 57.061 54.840 -0.205 0.000 0.752 52 L CB -0.126 41.723 42.059 -0.351 0.000 0.899 52 L HN 0.237 nan 8.230 nan 0.000 0.433 53 G N -2.460 106.305 108.800 -0.058 0.000 2.183 53 G HA2 -0.052 3.871 3.960 -0.061 0.000 0.168 53 G HA3 -0.052 3.871 3.960 -0.061 0.000 0.168 53 G C 0.414 175.321 174.900 0.010 0.000 1.008 53 G CA 0.014 45.113 45.100 -0.002 0.000 0.677 53 G HN 0.790 nan 8.290 nan 0.000 0.498 54 A N 0.233 123.042 122.820 -0.019 0.000 2.445 54 A HA 0.561 4.844 4.320 -0.061 0.000 0.242 54 A C 0.950 178.520 177.584 -0.023 0.000 1.075 54 A CA 0.839 52.879 52.037 0.004 0.000 0.777 54 A CB 0.339 19.343 19.000 0.006 0.000 1.013 54 A HN 0.179 nan 8.150 nan 0.000 0.493 55 D N 0.103 120.478 120.400 -0.042 0.000 2.417 55 D HA 0.387 4.991 4.640 -0.061 0.000 0.207 55 D C 0.330 176.550 176.300 -0.133 0.000 1.075 55 D CA 1.322 55.285 54.000 -0.060 0.000 0.851 55 D CB 0.665 41.451 40.800 -0.023 0.000 0.976 55 D HN 0.727 nan 8.370 nan 0.000 0.505 56 A N 0.872 123.556 122.820 -0.228 0.000 2.605 56 A HA 0.614 4.897 4.320 -0.061 0.000 0.294 56 A C -1.316 176.169 177.584 -0.164 0.000 1.062 56 A CA -0.824 51.005 52.037 -0.346 0.000 0.682 56 A CB 1.137 19.541 19.000 -0.994 0.000 1.278 56 A HN 0.105 nan 8.150 nan 0.000 0.410 57 I N -2.308 118.263 120.570 0.002 0.000 2.646 57 I HA 0.891 5.024 4.170 -0.061 0.000 0.299 57 I C -1.064 175.212 176.117 0.265 0.000 1.036 57 I CA -0.756 60.632 61.300 0.148 0.000 1.074 57 I CB 2.038 40.065 38.000 0.045 0.000 1.258 57 I HN 0.803 nan 8.210 nan 0.000 0.430 58 W N 7.937 129.348 121.300 0.185 0.000 2.471 58 W HA 0.712 5.336 4.660 -0.061 0.000 0.318 58 W C -1.987 174.528 176.519 -0.007 0.000 1.034 58 W CA -1.858 55.560 57.345 0.122 0.000 1.224 58 W CB 0.887 30.548 29.460 0.336 0.000 1.335 58 W HN 0.422 nan 8.180 nan 0.000 0.452 59 I N 5.873 126.485 120.570 0.070 0.000 2.336 59 I HA 0.173 4.306 4.170 -0.061 0.000 0.292 59 I C 0.948 177.074 176.117 0.014 0.000 0.991 59 I CA -0.703 60.553 61.300 -0.073 0.000 1.227 59 I CB 1.362 39.363 38.000 0.001 0.000 1.366 59 I HN 0.302 nan 8.210 nan 0.000 0.466 60 S N 6.821 122.397 115.700 -0.206 0.000 2.572 60 S HA 0.101 4.534 4.470 -0.061 0.000 0.267 60 S C -2.218 172.248 174.600 -0.223 0.000 1.361 60 S CA -0.636 57.488 58.200 -0.127 0.000 1.009 60 S CB 0.085 63.179 63.200 -0.176 0.000 0.888 60 S HN 0.403 nan 8.310 nan 0.000 0.553 61 P HA 0.011 nan 4.420 nan 0.000 0.261 61 P C -0.160 176.897 177.300 -0.405 0.000 1.183 61 P CA 0.399 63.187 63.100 -0.521 0.000 0.761 61 P CB -0.020 31.376 31.700 -0.507 0.000 0.785 62 F N 0.955 120.628 119.950 -0.461 0.000 2.724 62 F HA 0.385 4.882 4.527 -0.050 0.000 0.310 62 F C -0.144 175.643 175.800 -0.021 0.000 1.107 62 F CA -1.230 56.710 58.000 -0.101 0.000 1.218 62 F CB -1.021 37.852 39.000 -0.212 0.000 1.042 62 F HN 0.076 nan 8.300 nan 0.000 0.540 63 Y N 0.840 121.136 120.300 -0.007 0.000 2.314 63 Y HA 0.272 4.789 4.550 -0.056 0.000 0.334 63 Y C 0.872 176.796 175.900 0.040 0.000 1.266 63 Y CA -1.176 56.966 58.100 0.070 0.000 1.391 63 Y CB 0.099 38.502 38.460 -0.095 0.000 1.306 63 Y HN -0.083 nan 8.280 nan 0.000 0.558 64 D N 1.216 121.764 120.400 0.247 0.000 2.581 64 D HA 0.087 4.690 4.640 -0.061 0.000 0.238 64 D C -0.616 175.639 176.300 -0.075 0.000 1.145 64 D CA 0.858 54.947 54.000 0.148 0.000 0.866 64 D CB 0.299 41.159 40.800 0.099 0.000 1.151 64 D HN 0.506 nan 8.370 nan 0.000 0.500 65 S N 3.272 118.799 115.700 -0.289 0.000 2.543 65 S HA 0.443 4.876 4.470 -0.061 0.000 0.273 65 S C -2.446 171.877 174.600 -0.462 0.000 1.152 65 S CA -1.138 56.835 58.200 -0.378 0.000 0.910 65 S CB 1.796 64.731 63.200 -0.442 0.000 1.105 65 S HN 0.137 nan 8.310 nan 0.000 0.465 66 P HA 0.037 nan 4.420 nan 0.000 0.228 66 P C 0.010 177.181 177.300 -0.214 0.000 1.151 66 P CA 0.755 63.759 63.100 -0.161 0.000 0.770 66 P CB 0.026 31.691 31.700 -0.058 0.000 0.786 67 Q N -2.476 117.137 119.800 -0.311 0.000 2.465 67 Q HA -0.203 4.100 4.340 -0.061 0.000 0.248 67 Q C 0.468 176.442 176.000 -0.043 0.000 0.819 67 Q CA 1.031 56.684 55.803 -0.251 0.000 1.219 67 Q CB -2.812 25.734 28.738 -0.320 0.000 1.472 67 Q HN 0.320 nan 8.270 nan 0.000 0.630 68 D N 0.599 120.996 120.400 -0.004 0.000 2.218 68 D HA -0.081 4.522 4.640 -0.061 0.000 0.204 68 D C 0.876 177.239 176.300 0.105 0.000 0.976 68 D CA 1.490 55.530 54.000 0.066 0.000 0.853 68 D CB 0.090 40.939 40.800 0.081 0.000 0.939 68 D HN 0.323 nan 8.370 nan 0.000 0.481 69 D N -0.639 119.838 120.400 0.127 0.000 2.891 69 D HA 0.054 4.658 4.640 -0.061 0.000 0.332 69 D C 0.047 176.482 176.300 0.224 0.000 1.369 69 D CA -0.378 53.742 54.000 0.201 0.000 0.827 69 D CB -0.179 40.820 40.800 0.333 0.000 1.141 69 D HN -0.245 nan 8.370 nan 0.000 0.464 70 M N 0.290 119.953 119.600 0.106 0.000 2.206 70 M HA -0.197 4.246 4.480 -0.061 0.000 0.197 70 M C 1.144 177.448 176.300 0.007 0.000 0.375 70 M CA 1.372 56.699 55.300 0.046 0.000 0.410 70 M CB -1.932 30.769 32.600 0.169 0.000 1.204 70 M HN 0.535 nan 8.290 nan 0.000 0.932 71 G N -1.720 107.020 108.800 -0.100 0.000 2.259 71 G HA2 -0.323 3.600 3.960 -0.061 0.000 0.217 71 G HA3 -0.323 3.600 3.960 -0.061 0.000 0.217 71 G C 0.305 175.087 174.900 -0.197 0.000 1.001 71 G CA 0.152 45.124 45.100 -0.214 0.000 0.627 71 G HN 0.543 nan 8.290 nan 0.000 0.501 72 Y N 2.685 123.027 120.300 0.070 0.000 2.578 72 Y HA 0.227 4.743 4.550 -0.058 0.000 0.297 72 Y C 0.972 176.969 175.900 0.161 0.000 1.176 72 Y CA 0.791 58.971 58.100 0.134 0.000 1.315 72 Y CB 0.428 38.998 38.460 0.182 0.000 1.031 72 Y HN 0.403 nan 8.280 nan 0.000 0.524 73 D N 0.356 120.850 120.400 0.156 0.000 2.477 73 D HA 0.210 4.813 4.640 -0.061 0.000 0.239 73 D C -0.453 175.827 176.300 -0.034 0.000 1.102 73 D CA -0.088 53.976 54.000 0.106 0.000 0.901 73 D CB 0.418 41.270 40.800 0.085 0.000 1.026 73 D HN 0.168 nan 8.370 nan 0.000 0.515 74 I N 1.393 121.908 120.570 -0.093 0.000 2.342 74 I HA 0.278 4.411 4.170 -0.061 0.000 0.291 74 I C 1.244 177.206 176.117 -0.258 0.000 1.010 74 I CA -0.586 60.554 61.300 -0.266 0.000 1.308 74 I CB 1.906 39.569 38.000 -0.560 0.000 1.400 74 I HN 0.458 nan 8.210 nan 0.000 0.488 75 A N 5.100 127.786 122.820 -0.223 0.000 2.147 75 A HA 0.149 4.432 4.320 -0.061 0.000 0.211 75 A C 0.695 178.014 177.584 -0.443 0.000 1.160 75 A CA 0.586 52.493 52.037 -0.217 0.000 0.781 75 A CB -0.004 18.904 19.000 -0.153 0.000 0.842 75 A HN 0.693 nan 8.150 nan 0.000 0.475 76 N N -1.394 117.068 118.700 -0.396 0.000 2.752 76 N HA 0.199 4.902 4.740 -0.061 0.000 0.268 76 N C -0.687 174.683 175.510 -0.233 0.000 1.190 76 N CA -0.440 52.373 53.050 -0.395 0.000 0.897 76 N CB 0.362 38.698 38.487 -0.252 0.000 1.515 76 N HN 0.042 nan 8.380 nan 0.000 0.567 77 Y N 1.357 121.600 120.300 -0.094 0.000 2.483 77 Y HA 0.014 4.528 4.550 -0.061 0.000 0.291 77 Y C 1.284 177.327 175.900 0.240 0.000 1.143 77 Y CA 1.058 59.121 58.100 -0.062 0.000 1.289 77 Y CB 0.371 38.797 38.460 -0.058 0.000 0.983 77 Y HN 0.550 nan 8.280 nan 0.000 0.556 78 E N -0.055 120.205 120.200 0.100 0.000 2.501 78 E HA 0.098 4.411 4.350 -0.061 0.000 0.200 78 E C 0.137 176.659 176.600 -0.130 0.000 1.016 78 E CA -0.049 56.137 56.400 -0.356 0.000 0.921 78 E CB 0.438 29.715 29.700 -0.705 0.000 1.034 78 E HN 0.102 nan 8.360 nan 0.000 0.468 79 K N 1.190 121.688 120.400 0.163 0.000 2.507 79 K HA 0.284 4.567 4.320 -0.061 0.000 0.251 79 K C -0.819 175.981 176.600 0.335 0.000 0.943 79 K CA -0.589 55.805 56.287 0.178 0.000 0.794 79 K CB 1.973 34.508 32.500 0.058 0.000 1.188 79 K HN -0.165 nan 8.250 nan 0.000 0.428 80 V N 3.704 123.816 119.914 0.330 0.000 2.740 80 V HA 0.016 4.100 4.120 -0.061 0.000 0.303 80 V C 0.028 176.299 176.094 0.294 0.000 1.054 80 V CA -0.288 62.237 62.300 0.376 0.000 1.106 80 V CB 0.289 32.256 31.823 0.241 0.000 0.957 80 V HN 0.783 nan 8.190 nan 0.000 0.486 81 W N 7.910 129.274 121.300 0.106 0.000 2.397 81 W HA 0.230 4.872 4.660 -0.030 0.000 0.327 81 W C -1.779 174.662 176.519 -0.130 0.000 1.421 81 W CA -1.998 55.296 57.345 -0.085 0.000 1.288 81 W CB 0.296 29.603 29.460 -0.255 0.000 1.312 81 W HN 0.501 nan 8.180 nan 0.000 0.559 82 P HA -0.236 nan 4.420 nan 0.000 0.217 82 P C 1.594 178.540 177.300 -0.590 0.000 1.148 82 P CA 2.777 65.631 63.100 -0.411 0.000 0.834 82 P CB 0.132 31.611 31.700 -0.368 0.000 0.783 83 T N -2.151 111.692 114.554 -1.184 0.000 2.881 83 T HA -0.172 4.142 4.350 -0.061 0.000 0.270 83 T C 1.459 175.852 174.700 -0.512 0.000 1.068 83 T CA 1.263 62.697 62.100 -1.110 0.000 1.131 83 T CB -0.868 66.760 68.868 -2.066 0.000 0.871 83 T HN 0.298 nan 8.240 nan 0.000 0.479 84 Y N 0.744 120.866 120.300 -0.295 0.000 2.420 84 Y HA 0.320 4.822 4.550 -0.081 0.000 0.292 84 Y C 1.772 177.617 175.900 -0.093 0.000 1.119 84 Y CA -0.278 57.791 58.100 -0.052 0.000 1.229 84 Y CB 0.402 38.933 38.460 0.120 0.000 1.026 84 Y HN 0.400 nan 8.280 nan 0.000 0.554 85 G N -0.151 108.654 108.800 0.008 0.000 2.340 85 G HA2 0.083 4.006 3.960 -0.061 0.000 0.282 85 G HA3 0.083 4.006 3.960 -0.061 0.000 0.282 85 G C -0.906 173.954 174.900 -0.067 0.000 1.312 85 G CA -0.526 44.545 45.100 -0.049 0.000 0.942 85 G HN 0.061 nan 8.290 nan 0.000 0.495 86 T N -1.813 112.687 114.554 -0.091 0.000 2.936 86 T HA 0.515 4.828 4.350 -0.061 0.000 0.282 86 T C 1.221 175.812 174.700 -0.181 0.000 1.003 86 T CA 0.238 62.274 62.100 -0.107 0.000 1.005 86 T CB 1.578 70.383 68.868 -0.105 0.000 1.097 86 T HN 0.383 nan 8.240 nan 0.000 0.532 87 N N 0.469 119.032 118.700 -0.228 0.000 2.104 87 N HA -0.107 4.596 4.740 -0.061 0.000 0.190 87 N C 1.694 176.603 175.510 -1.002 0.000 1.024 87 N CA 1.417 54.134 53.050 -0.555 0.000 0.853 87 N CB -0.524 37.712 38.487 -0.419 0.000 1.008 87 N HN 0.840 nan 8.380 nan 0.000 0.424 88 E N 1.056 120.960 120.200 -0.492 0.000 2.110 88 E HA -0.152 4.162 4.350 -0.061 0.000 0.193 88 E C 0.956 177.434 176.600 -0.203 0.000 0.988 88 E CA 1.275 57.520 56.400 -0.258 0.000 0.804 88 E CB -0.275 29.399 29.700 -0.043 0.000 0.745 88 E HN 0.259 nan 8.360 nan 0.000 0.458 89 D N -0.342 119.939 120.400 -0.199 0.000 2.123 89 D HA -0.181 4.422 4.640 -0.061 0.000 0.196 89 D C 2.007 178.201 176.300 -0.177 0.000 0.992 89 D CA 1.352 55.265 54.000 -0.144 0.000 0.833 89 D CB -0.755 39.973 40.800 -0.121 0.000 0.954 89 D HN 0.325 nan 8.370 nan 0.000 0.455 90 C N -0.010 119.117 119.300 -0.288 0.000 2.446 90 C HA -0.094 4.330 4.460 -0.061 0.000 0.277 90 C C 2.750 177.674 174.990 -0.109 0.000 1.275 90 C CA 0.238 59.091 59.018 -0.275 0.000 1.727 90 C CB -1.550 26.023 27.740 -0.279 0.000 2.010 90 C HN 0.276 nan 8.230 nan 0.000 0.486 91 F N 1.461 121.384 119.950 -0.044 0.000 2.134 91 F HA -0.076 4.426 4.527 -0.042 0.000 0.299 91 F C 2.682 178.436 175.800 -0.077 0.000 1.097 91 F CA 0.867 58.837 58.000 -0.049 0.000 1.264 91 F CB -0.653 38.343 39.000 -0.007 0.000 1.001 91 F HN 0.295 nan 8.300 nan 0.000 0.479 92 A N 0.368 123.242 122.820 0.091 0.000 1.933 92 A HA -0.177 4.106 4.320 -0.061 0.000 0.218 92 A C 2.036 179.607 177.584 -0.022 0.000 1.175 92 A CA 1.388 53.442 52.037 0.029 0.000 0.628 92 A CB -0.891 18.113 19.000 0.006 0.000 0.814 92 A HN 0.363 nan 8.150 nan 0.000 0.444 93 L N -0.005 121.181 121.223 -0.062 0.000 2.046 93 L HA -0.086 4.217 4.340 -0.061 0.000 0.208 93 L C 2.204 178.986 176.870 -0.145 0.000 1.077 93 L CA 1.695 56.491 54.840 -0.073 0.000 0.747 93 L CB -0.428 41.586 42.059 -0.076 0.000 0.896 93 L HN 0.433 nan 8.230 nan 0.000 0.432 94 I N -0.488 119.890 120.570 -0.319 0.000 2.226 94 I HA -0.301 3.832 4.170 -0.061 0.000 0.245 94 I C 2.535 178.432 176.117 -0.367 0.000 1.100 94 I CA 1.718 62.656 61.300 -0.604 0.000 1.374 94 I CB -0.377 37.229 38.000 -0.658 0.000 1.057 94 I HN 0.431 nan 8.210 nan 0.000 0.413 95 E N 1.356 121.482 120.200 -0.123 0.000 2.077 95 E HA -0.284 4.030 4.350 -0.061 0.000 0.193 95 E C 2.240 178.843 176.600 0.005 0.000 0.989 95 E CA 1.271 57.672 56.400 0.001 0.000 0.800 95 E CB 0.044 29.766 29.700 0.036 0.000 0.746 95 E HN 0.298 nan 8.360 nan 0.000 0.452 96 K N -0.306 120.084 120.400 -0.017 0.000 2.057 96 K HA -0.122 4.162 4.320 -0.061 0.000 0.207 96 K C 2.042 178.650 176.600 0.013 0.000 1.049 96 K CA 1.759 58.049 56.287 0.005 0.000 0.931 96 K CB -0.051 32.452 32.500 0.004 0.000 0.714 96 K HN 0.094 nan 8.250 nan 0.000 0.440 97 T N -0.056 114.490 114.554 -0.012 0.000 2.684 97 T HA -0.159 4.154 4.350 -0.061 0.000 0.267 97 T C 1.473 176.196 174.700 0.038 0.000 1.036 97 T CA 1.721 63.829 62.100 0.014 0.000 1.148 97 T CB -0.459 68.441 68.868 0.053 0.000 0.863 97 T HN 0.472 nan 8.240 nan 0.000 0.436 98 H N 0.690 119.773 119.070 0.021 0.000 2.353 98 H HA 0.037 4.558 4.556 -0.058 0.000 0.300 98 H C 2.349 177.665 175.328 -0.020 0.000 1.090 98 H CA 0.914 56.954 56.048 -0.014 0.000 1.327 98 H CB 0.095 29.839 29.762 -0.030 0.000 1.383 98 H HN 0.241 nan 8.280 nan 0.000 0.508 99 K N 0.536 121.005 120.400 0.115 0.000 2.365 99 K HA -0.038 4.245 4.320 -0.061 0.000 0.199 99 K C 1.412 178.034 176.600 0.036 0.000 1.045 99 K CA 0.455 56.775 56.287 0.056 0.000 0.962 99 K CB 0.238 32.761 32.500 0.039 0.000 0.759 99 K HN 0.306 nan 8.250 nan 0.000 0.469 100 L N -0.130 121.117 121.223 0.040 0.000 2.591 100 L HA 0.082 4.385 4.340 -0.061 0.000 0.228 100 L C 0.861 177.743 176.870 0.019 0.000 1.133 100 L CA 0.186 55.042 54.840 0.026 0.000 0.880 100 L CB 0.058 42.133 42.059 0.027 0.000 1.033 100 L HN 0.365 nan 8.230 nan 0.000 0.450 101 G N 0.388 109.203 108.800 0.026 0.000 2.171 101 G HA2 -0.271 3.652 3.960 -0.061 0.000 0.238 101 G HA3 -0.271 3.652 3.960 -0.061 0.000 0.238 101 G C 0.007 174.908 174.900 0.001 0.000 1.039 101 G CA -0.019 45.084 45.100 0.005 0.000 0.759 101 G HN 0.242 nan 8.290 nan 0.000 0.501 102 M N -0.319 119.299 119.600 0.031 0.000 2.598 102 M HA 0.490 4.933 4.480 -0.061 0.000 0.317 102 M C 0.351 176.686 176.300 0.059 0.000 1.179 102 M CA -0.897 54.410 55.300 0.012 0.000 0.936 102 M CB 1.786 34.394 32.600 0.013 0.000 1.713 102 M HN -0.074 nan 8.290 nan 0.000 0.460 103 K N 1.200 121.581 120.400 -0.032 0.000 2.090 103 K HA 0.534 4.817 4.320 -0.061 0.000 0.249 103 K C -1.423 175.263 176.600 0.143 0.000 0.995 103 K CA -0.280 56.000 56.287 -0.012 0.000 0.914 103 K CB 1.510 33.794 32.500 -0.360 0.000 1.057 103 K HN 0.591 nan 8.250 nan 0.000 0.462 104 F N 2.593 122.589 119.950 0.078 0.000 2.539 104 F HA 0.395 4.883 4.527 -0.065 0.000 0.328 104 F C -0.608 175.330 175.800 0.229 0.000 1.148 104 F CA -0.992 57.074 58.000 0.111 0.000 0.940 104 F CB 0.862 39.828 39.000 -0.057 0.000 1.194 104 F HN 0.419 nan 8.300 nan 0.000 0.438 105 I N 2.803 123.440 120.570 0.113 0.000 2.603 105 I HA 0.689 4.822 4.170 -0.061 0.000 0.300 105 I C -0.915 175.228 176.117 0.044 0.000 1.017 105 I CA -0.443 60.970 61.300 0.189 0.000 1.098 105 I CB 2.174 40.364 38.000 0.316 0.000 1.279 105 I HN 0.512 nan 8.210 nan 0.000 0.437 106 T N 2.159 116.798 114.554 0.141 0.000 2.950 106 T HA 0.252 4.566 4.350 -0.061 0.000 0.288 106 T C -0.912 173.939 174.700 0.252 0.000 1.035 106 T CA -0.406 61.821 62.100 0.211 0.000 1.028 106 T CB 1.362 70.366 68.868 0.226 0.000 1.109 106 T HN 0.748 nan 8.240 nan 0.000 0.514 107 D N 2.605 123.153 120.400 0.245 0.000 2.280 107 D HA 0.265 4.868 4.640 -0.061 0.000 0.243 107 D C -0.879 175.588 176.300 0.279 0.000 1.129 107 D CA -0.361 53.807 54.000 0.279 0.000 0.848 107 D CB 0.964 41.960 40.800 0.326 0.000 1.107 107 D HN 0.258 nan 8.370 nan 0.000 0.471 108 L N 5.420 126.790 121.223 0.245 0.000 2.264 108 L HA 0.292 4.596 4.340 -0.061 0.000 0.287 108 L C -1.131 175.808 176.870 0.114 0.000 1.039 108 L CA -0.521 54.406 54.840 0.144 0.000 0.829 108 L CB 1.253 43.346 42.059 0.056 0.000 1.211 108 L HN 0.092 nan 8.230 nan 0.000 0.427 109 V N 7.590 127.560 119.914 0.093 0.000 2.289 109 V HA 0.286 4.370 4.120 -0.061 0.000 0.272 109 V C 0.628 176.748 176.094 0.044 0.000 1.026 109 V CA -0.074 62.273 62.300 0.079 0.000 0.807 109 V CB 0.588 32.464 31.823 0.087 0.000 1.044 109 V HN 0.785 nan 8.190 nan 0.000 0.443 110 I N -0.228 120.359 120.570 0.029 0.000 4.160 110 I HA 0.331 4.464 4.170 -0.061 0.000 0.325 110 I C 1.367 177.564 176.117 0.133 0.000 1.455 110 I CA 0.065 61.387 61.300 0.037 0.000 1.142 110 I CB 0.224 38.181 38.000 -0.072 0.000 1.262 110 I HN 0.447 nan 8.210 nan 0.000 0.483 111 N N 2.384 121.177 118.700 0.156 0.000 2.309 111 N HA -0.119 4.584 4.740 -0.061 0.000 0.182 111 N C -0.001 175.714 175.510 0.340 0.000 1.018 111 N CA 1.102 54.343 53.050 0.319 0.000 0.876 111 N CB 0.200 38.923 38.487 0.393 0.000 0.972 111 N HN 0.689 nan 8.380 nan 0.000 0.434 112 H N -1.937 117.312 119.070 0.299 0.000 3.014 112 H HA 0.384 4.903 4.556 -0.062 0.000 0.337 112 H C -0.768 174.725 175.328 0.274 0.000 1.320 112 H CA -0.937 55.286 56.048 0.292 0.000 1.128 112 H CB 1.141 31.051 29.762 0.246 0.000 1.862 112 H HN 0.173 nan 8.280 nan 0.000 0.536 113 C N -0.307 119.231 119.300 0.398 0.000 3.161 113 C HA 0.752 5.175 4.460 -0.061 0.000 0.330 113 C C 0.750 175.829 174.990 0.148 0.000 1.396 113 C CA -0.805 58.353 59.018 0.233 0.000 1.536 113 C CB 1.345 29.196 27.740 0.185 0.000 1.978 113 C HN 0.901 nan 8.230 nan 0.000 0.454 114 S N 0.589 116.321 115.700 0.053 0.000 2.572 114 S HA 0.265 4.698 4.470 -0.061 0.000 0.279 114 S C 1.422 175.974 174.600 -0.079 0.000 1.341 114 S CA 0.289 58.485 58.200 -0.006 0.000 1.043 114 S CB 0.606 63.792 63.200 -0.023 0.000 0.887 114 S HN 1.504 nan 8.310 nan 0.000 0.516 115 S N 2.997 118.568 115.700 -0.216 0.000 2.500 115 S HA -0.018 4.415 4.470 -0.061 0.000 0.239 115 S C 1.015 175.667 174.600 0.087 0.000 0.989 115 S CA 0.513 58.533 58.200 -0.299 0.000 0.951 115 S CB -0.242 62.757 63.200 -0.336 0.000 0.759 115 S HN 0.774 nan 8.310 nan 0.000 0.523 116 E N 0.802 121.030 120.200 0.047 0.000 2.478 116 E HA 0.067 4.380 4.350 -0.061 0.000 0.194 116 E C 0.345 176.970 176.600 0.042 0.000 1.045 116 E CA 0.076 56.506 56.400 0.050 0.000 0.868 116 E CB -0.337 29.365 29.700 0.003 0.000 0.885 116 E HN 0.660 nan 8.360 nan 0.000 0.505 117 H N 2.068 121.129 119.070 -0.016 0.000 2.848 117 H HA -0.012 4.508 4.556 -0.060 0.000 0.341 117 H C 1.115 176.455 175.328 0.020 0.000 1.060 117 H CA 0.454 56.460 56.048 -0.070 0.000 1.444 117 H CB 0.968 30.673 29.762 -0.096 0.000 1.446 117 H HN -0.061 nan 8.280 nan 0.000 0.583 118 E N 3.743 123.907 120.200 -0.059 0.000 2.171 118 E HA -0.215 4.098 4.350 -0.061 0.000 0.197 118 E C 1.968 178.795 176.600 0.378 0.000 0.997 118 E CA 0.844 57.306 56.400 0.104 0.000 0.810 118 E CB -0.074 29.616 29.700 -0.016 0.000 0.738 118 E HN 0.700 nan 8.360 nan 0.000 0.467 119 W N 0.029 121.670 121.300 0.568 0.000 2.358 119 W HA -0.141 4.485 4.660 -0.056 0.000 0.303 119 W C 2.228 178.965 176.519 0.363 0.000 1.208 119 W CA 0.345 57.906 57.345 0.361 0.000 1.274 119 W CB -1.393 28.325 29.460 0.430 0.000 1.138 119 W HN 0.076 nan 8.180 nan 0.000 0.515 120 F N 1.234 121.425 119.950 0.401 0.000 2.234 120 F HA -0.051 4.439 4.527 -0.062 0.000 0.296 120 F C 2.203 177.986 175.800 -0.029 0.000 1.089 120 F CA 1.490 59.436 58.000 -0.090 0.000 1.343 120 F CB -0.338 38.396 39.000 -0.443 0.000 1.040 120 F HN -0.267 nan 8.300 nan 0.000 0.498 121 K N 0.107 120.560 120.400 0.088 0.000 2.063 121 K HA -0.270 4.013 4.320 -0.061 0.000 0.208 121 K C 2.087 178.626 176.600 -0.102 0.000 1.048 121 K CA 1.974 58.247 56.287 -0.023 0.000 0.928 121 K CB -0.348 32.170 32.500 0.030 0.000 0.713 121 K HN 0.408 nan 8.250 nan 0.000 0.442 122 E N 0.594 120.766 120.200 -0.047 0.000 2.028 122 E HA -0.174 4.139 4.350 -0.061 0.000 0.191 122 E C 2.146 178.641 176.600 -0.175 0.000 0.988 122 E CA 1.187 57.527 56.400 -0.099 0.000 0.799 122 E CB -0.027 29.625 29.700 -0.079 0.000 0.755 122 E HN 0.111 nan 8.360 nan 0.000 0.447 123 S N 0.583 116.195 115.700 -0.147 0.000 2.365 123 S HA -0.237 4.197 4.470 -0.061 0.000 0.225 123 S C 2.068 176.446 174.600 -0.371 0.000 1.039 123 S CA 1.910 60.032 58.200 -0.131 0.000 1.033 123 S CB -0.425 62.903 63.200 0.212 0.000 0.887 123 S HN 0.443 nan 8.310 nan 0.000 0.447 124 R N 0.746 120.917 120.500 -0.548 0.000 2.276 124 R HA 0.101 4.404 4.340 -0.061 0.000 0.203 124 R C 2.048 178.085 176.300 -0.438 0.000 1.017 124 R CA 1.305 57.051 56.100 -0.591 0.000 1.010 124 R CB -0.616 29.334 30.300 -0.583 0.000 0.900 124 R HN 0.504 nan 8.270 nan 0.000 0.469 125 S N -0.064 115.439 115.700 -0.328 0.000 2.453 125 S HA -0.051 4.382 4.470 -0.061 0.000 0.231 125 S C 0.768 175.228 174.600 -0.234 0.000 1.005 125 S CA 0.255 58.317 58.200 -0.230 0.000 0.949 125 S CB -0.154 62.945 63.200 -0.169 0.000 0.774 125 S HN 0.564 nan 8.310 nan 0.000 0.510 126 S N -0.703 114.818 115.700 -0.298 0.000 2.636 126 S HA 0.451 4.885 4.470 -0.061 0.000 0.266 126 S C -0.512 173.887 174.600 -0.335 0.000 1.147 126 S CA -1.041 57.000 58.200 -0.264 0.000 0.815 126 S CB 0.879 63.968 63.200 -0.184 0.000 1.119 126 S HN 0.063 nan 8.310 nan 0.000 0.470 127 K N 0.395 120.635 120.400 -0.266 0.000 2.426 127 K HA 0.125 4.408 4.320 -0.061 0.000 0.193 127 K C 1.117 177.613 176.600 -0.173 0.000 1.028 127 K CA 1.084 57.219 56.287 -0.254 0.000 1.047 127 K CB 0.016 32.409 32.500 -0.178 0.000 0.821 127 K HN 0.821 nan 8.250 nan 0.000 0.513 128 T N -1.755 112.708 114.554 -0.152 0.000 3.010 128 T HA 0.021 4.334 4.350 -0.061 0.000 0.257 128 T C 0.535 175.170 174.700 -0.108 0.000 1.020 128 T CA -0.678 61.358 62.100 -0.106 0.000 0.938 128 T CB -0.250 68.566 68.868 -0.086 0.000 1.049 128 T HN 0.094 nan 8.240 nan 0.000 0.522 129 N N 2.219 120.835 118.700 -0.140 0.000 2.444 129 N HA 0.120 4.824 4.740 -0.061 0.000 0.255 129 N C -2.125 173.296 175.510 -0.147 0.000 1.255 129 N CA -1.195 51.769 53.050 -0.143 0.000 0.933 129 N CB 1.038 39.424 38.487 -0.169 0.000 1.143 129 N HN -0.088 nan 8.380 nan 0.000 0.453 130 P HA -0.058 nan 4.420 nan 0.000 0.222 130 P C 0.430 177.555 177.300 -0.292 0.000 1.147 130 P CA 1.472 64.469 63.100 -0.172 0.000 0.790 130 P CB 0.188 31.783 31.700 -0.175 0.000 0.780 131 K N -1.224 118.919 120.400 -0.429 0.000 2.397 131 K HA 0.149 4.432 4.320 -0.061 0.000 0.202 131 K C 1.721 178.237 176.600 -0.141 0.000 1.022 131 K CA -0.234 55.630 56.287 -0.707 0.000 1.141 131 K CB 0.211 32.150 32.500 -0.936 0.000 0.857 131 K HN -0.164 nan 8.250 nan 0.000 0.514 132 R N 1.971 122.435 120.500 -0.059 0.000 2.096 132 R HA -0.134 4.169 4.340 -0.061 0.000 0.240 132 R C 0.663 177.151 176.300 0.312 0.000 1.139 132 R CA 1.794 57.919 56.100 0.042 0.000 0.952 132 R CB -0.135 30.113 30.300 -0.087 0.000 0.854 132 R HN 0.055 nan 8.270 nan 0.000 0.436 133 D N -1.116 119.432 120.400 0.247 0.000 2.370 133 D HA -0.008 4.595 4.640 -0.061 0.000 0.230 133 D C 0.275 176.687 176.300 0.188 0.000 1.143 133 D CA 0.092 54.235 54.000 0.239 0.000 0.834 133 D CB -0.226 40.652 40.800 0.130 0.000 0.944 133 D HN 0.293 nan 8.370 nan 0.000 0.504 134 W N -0.009 121.213 121.300 -0.130 0.000 3.047 134 W HA 0.151 4.773 4.660 -0.063 0.000 0.250 134 W C 0.303 176.318 176.519 -0.840 0.000 1.314 134 W CA -0.122 56.919 57.345 -0.508 0.000 1.540 134 W CB -0.274 28.848 29.460 -0.565 0.000 1.127 134 W HN -0.143 nan 8.180 nan 0.000 0.679 135 F N -2.122 117.947 119.950 0.199 0.000 2.691 135 F HA 0.450 4.940 4.527 -0.062 0.000 0.334 135 F C -0.696 175.068 175.800 -0.061 0.000 1.107 135 F CA -1.806 56.252 58.000 0.097 0.000 0.991 135 F CB 0.481 39.635 39.000 0.257 0.000 1.400 135 F HN -0.545 nan 8.300 nan 0.000 0.503 136 F N 0.930 121.027 119.950 0.244 0.000 2.350 136 F HA 0.325 4.815 4.527 -0.062 0.000 0.365 136 F C -1.074 174.865 175.800 0.231 0.000 1.122 136 F CA -0.740 57.407 58.000 0.245 0.000 1.139 136 F CB 0.406 39.524 39.000 0.197 0.000 1.220 136 F HN 0.179 nan 8.300 nan 0.000 0.499 137 W N 4.394 126.033 121.300 0.565 0.000 2.529 137 W HA 0.713 5.336 4.660 -0.062 0.000 0.321 137 W C -0.207 176.547 176.519 0.392 0.000 1.047 137 W CA -0.755 56.885 57.345 0.492 0.000 1.216 137 W CB 1.359 31.008 29.460 0.314 0.000 1.357 137 W HN 0.135 nan 8.180 nan 0.000 0.489 138 R N 3.033 123.884 120.500 0.585 0.000 2.651 138 R HA 0.434 4.737 4.340 -0.061 0.000 0.278 138 R C -2.694 173.764 176.300 0.263 0.000 1.010 138 R CA -2.252 54.018 56.100 0.283 0.000 0.896 138 R CB 1.460 31.760 30.300 0.000 0.000 1.211 138 R HN 0.185 nan 8.270 nan 0.000 0.456 139 P HA 0.213 nan 4.420 nan 0.000 0.272 139 P C -2.463 174.949 177.300 0.186 0.000 1.240 139 P CA -1.421 61.799 63.100 0.201 0.000 0.791 139 P CB -0.358 31.418 31.700 0.127 0.000 0.978 140 P HA 0.055 nan 4.420 nan 0.000 0.267 140 P C 1.039 178.282 177.300 -0.094 0.000 1.200 140 P CA 0.134 63.312 63.100 0.130 0.000 0.772 140 P CB 0.339 31.956 31.700 -0.138 0.000 0.855 141 K N 1.248 121.527 120.400 -0.201 0.000 2.147 141 K HA -0.002 4.282 4.320 -0.061 0.000 0.205 141 K C 0.918 177.440 176.600 -0.130 0.000 1.049 141 K CA 1.455 57.636 56.287 -0.178 0.000 0.936 141 K CB -0.216 32.156 32.500 -0.213 0.000 0.722 141 K HN 0.747 nan 8.250 nan 0.000 0.446 142 G N -1.913 106.770 108.800 -0.195 0.000 2.356 142 G HA2 0.209 4.132 3.960 -0.061 0.000 0.281 142 G HA3 0.209 4.132 3.960 -0.061 0.000 0.281 142 G C -1.925 172.740 174.900 -0.391 0.000 1.246 142 G CA -0.893 44.119 45.100 -0.146 0.000 0.889 142 G HN 0.045 nan 8.290 nan 0.000 0.486 143 Y N 0.991 121.286 120.300 -0.009 0.000 2.499 143 Y HA 0.536 5.049 4.550 -0.061 0.000 0.347 143 Y C 0.119 176.008 175.900 -0.018 0.000 0.987 143 Y CA -0.527 57.562 58.100 -0.018 0.000 1.044 143 Y CB 2.111 40.556 38.460 -0.025 0.000 1.245 143 Y HN 0.821 nan 8.280 nan 0.000 0.461 144 D N 0.426 120.892 120.400 0.110 0.000 2.478 144 D HA 0.355 4.959 4.640 -0.061 0.000 0.269 144 D C 1.019 177.355 176.300 0.059 0.000 1.232 144 D CA -0.271 53.762 54.000 0.056 0.000 1.059 144 D CB 0.607 41.423 40.800 0.027 0.000 1.104 144 D HN 0.555 nan 8.370 nan 0.000 0.566 145 A N -0.593 122.244 122.820 0.029 0.000 2.070 145 A HA -0.148 4.135 4.320 -0.061 0.000 0.220 145 A C 1.618 179.215 177.584 0.021 0.000 1.159 145 A CA 1.302 53.352 52.037 0.021 0.000 0.656 145 A CB -0.697 18.307 19.000 0.007 0.000 0.800 145 A HN 0.556 nan 8.150 nan 0.000 0.453 146 E N -1.688 118.528 120.200 0.028 0.000 2.474 146 E HA 0.325 4.638 4.350 -0.061 0.000 0.194 146 E C 1.203 177.823 176.600 0.033 0.000 1.041 146 E CA 0.708 57.124 56.400 0.026 0.000 0.874 146 E CB 0.084 29.799 29.700 0.025 0.000 0.914 146 E HN 0.699 nan 8.360 nan 0.000 0.498 147 G N 0.850 109.683 108.800 0.056 0.000 2.157 147 G HA2 -0.309 3.614 3.960 -0.061 0.000 0.239 147 G HA3 -0.309 3.614 3.960 -0.061 0.000 0.239 147 G C 0.063 175.047 174.900 0.140 0.000 0.982 147 G CA -0.025 45.116 45.100 0.067 0.000 0.650 147 G HN 0.205 nan 8.290 nan 0.000 0.527 148 K N 1.761 122.231 120.400 0.118 0.000 2.218 148 K HA 0.446 4.730 4.320 -0.061 0.000 0.276 148 K C -2.156 174.482 176.600 0.063 0.000 1.022 148 K CA -1.678 54.657 56.287 0.080 0.000 0.946 148 K CB 1.391 33.919 32.500 0.046 0.000 1.000 148 K HN 0.093 nan 8.250 nan 0.000 0.468 149 P HA 0.066 nan 4.420 nan 0.000 0.271 149 P C -0.545 176.719 177.300 -0.061 0.000 1.216 149 P CA 0.178 63.039 63.100 -0.398 0.000 0.776 149 P CB 0.552 31.769 31.700 -0.805 0.000 0.881 150 I N 5.067 125.543 120.570 -0.157 0.000 2.353 150 I HA 0.250 4.384 4.170 -0.061 0.000 0.293 150 I C -1.722 174.158 176.117 -0.395 0.000 0.992 150 I CA -2.760 58.453 61.300 -0.145 0.000 1.268 150 I CB 1.453 39.363 38.000 -0.151 0.000 1.387 150 I HN 0.185 nan 8.210 nan 0.000 0.478 151 P HA 0.132 nan 4.420 nan 0.000 0.272 151 P C -2.343 174.357 177.300 -1.001 0.000 1.230 151 P CA -1.357 60.884 63.100 -1.431 0.000 0.788 151 P CB 0.076 31.198 31.700 -0.963 0.000 0.949 152 P HA -0.136 nan 4.420 nan 0.000 0.218 152 P C 0.262 177.176 177.300 -0.644 0.000 1.148 152 P CA 1.777 64.306 63.100 -0.952 0.000 0.822 152 P CB -0.008 30.884 31.700 -1.347 0.000 0.784 153 N N -2.703 115.628 118.700 -0.615 0.000 3.243 153 N HA 0.073 4.776 4.740 -0.061 0.000 0.280 153 N C -0.280 175.226 175.510 -0.006 0.000 1.545 153 N CA -0.828 52.045 53.050 -0.296 0.000 0.854 153 N CB -0.628 37.577 38.487 -0.469 0.000 1.612 153 N HN -0.289 nan 8.380 nan 0.000 0.577 154 N N -1.409 117.387 118.700 0.159 0.000 2.314 154 N HA 0.081 4.785 4.740 -0.061 0.000 0.200 154 N C -0.971 174.917 175.510 0.630 0.000 1.135 154 N CA -0.397 52.893 53.050 0.400 0.000 0.835 154 N CB -0.293 38.326 38.487 0.220 0.000 0.989 154 N HN 0.424 nan 8.380 nan 0.000 0.478 155 W N 1.789 123.270 121.300 0.302 0.000 2.223 155 W HA 0.260 4.883 4.660 -0.062 0.000 0.334 155 W C 1.020 177.585 176.519 0.076 0.000 1.334 155 W CA -0.948 56.492 57.345 0.159 0.000 1.246 155 W CB 0.233 29.745 29.460 0.086 0.000 1.184 155 W HN -0.075 nan 8.180 nan 0.000 0.563 156 K N 2.176 122.700 120.400 0.207 0.000 2.172 156 K HA 0.272 4.555 4.320 -0.061 0.000 0.276 156 K C 0.391 176.909 176.600 -0.137 0.000 1.013 156 K CA -0.376 55.929 56.287 0.030 0.000 0.913 156 K CB 1.132 33.655 32.500 0.037 0.000 1.055 156 K HN 0.386 nan 8.250 nan 0.000 0.461 157 S N 2.725 118.311 115.700 -0.189 0.000 2.572 157 S HA 0.014 4.448 4.470 -0.061 0.000 0.279 157 S C 0.922 175.388 174.600 -0.224 0.000 1.341 157 S CA -0.087 57.974 58.200 -0.232 0.000 1.043 157 S CB 0.280 63.367 63.200 -0.190 0.000 0.887 157 S HN 0.591 nan 8.310 nan 0.000 0.516 158 Y N 2.522 122.498 120.300 -0.541 0.000 2.384 158 Y HA -0.048 4.466 4.550 -0.060 0.000 0.289 158 Y C 1.061 176.962 175.900 0.001 0.000 1.152 158 Y CA 1.322 59.173 58.100 -0.415 0.000 1.258 158 Y CB -0.131 37.804 38.460 -0.875 0.000 0.979 158 Y HN 0.661 nan 8.280 nan 0.000 0.549 159 F N -0.703 119.337 119.950 0.150 0.000 2.653 159 F HA 0.499 4.989 4.527 -0.062 0.000 0.304 159 F C 1.152 177.029 175.800 0.127 0.000 1.092 159 F CA -0.165 57.947 58.000 0.186 0.000 1.279 159 F CB -0.078 39.029 39.000 0.178 0.000 1.044 159 F HN -0.095 nan 8.300 nan 0.000 0.564 160 G N -0.454 108.469 108.800 0.204 0.000 2.650 160 G HA2 0.457 4.380 3.960 -0.061 0.000 0.686 160 G HA3 0.457 4.380 3.960 -0.061 0.000 0.686 160 G C 0.034 174.926 174.900 -0.014 0.000 1.205 160 G CA -0.450 44.703 45.100 0.089 0.000 0.781 160 G HN 1.072 nan 8.290 nan 0.000 0.648 161 G N -0.512 108.253 108.800 -0.059 0.000 2.698 161 G HA2 0.272 4.195 3.960 -0.061 0.000 0.233 161 G HA3 0.272 4.195 3.960 -0.061 0.000 0.233 161 G C 0.698 175.132 174.900 -0.777 0.000 1.352 161 G CA 0.875 45.793 45.100 -0.304 0.000 0.879 161 G HN 2.436 nan 8.290 nan 0.000 0.567 162 S N -0.375 114.553 115.700 -1.287 0.000 2.572 162 S HA 0.530 4.963 4.470 -0.061 0.000 0.279 162 S C 1.421 175.719 174.600 -0.503 0.000 1.341 162 S CA 0.840 58.278 58.200 -1.271 0.000 1.043 162 S CB 0.933 63.310 63.200 -1.372 0.000 0.887 162 S HN 2.182 nan 8.310 nan 0.000 0.516 163 A N 4.160 126.794 122.820 -0.309 0.000 2.359 163 A HA 0.342 4.625 4.320 -0.061 0.000 0.240 163 A C -0.510 176.791 177.584 -0.471 0.000 1.306 163 A CA -0.557 51.298 52.037 -0.304 0.000 0.898 163 A CB -0.354 18.516 19.000 -0.216 0.000 0.956 163 A HN 0.754 nan 8.150 nan 0.000 0.497 164 W N -2.017 119.132 121.300 -0.250 0.000 2.936 164 W HA 0.575 5.199 4.660 -0.060 0.000 0.338 164 W C -0.302 176.149 176.519 -0.114 0.000 1.121 164 W CA -0.329 56.904 57.345 -0.186 0.000 1.209 164 W CB 1.590 30.898 29.460 -0.253 0.000 1.420 164 W HN -0.114 nan 8.180 nan 0.000 0.516 165 T N 2.666 117.231 114.554 0.018 0.000 2.848 165 T HA 0.359 4.672 4.350 -0.061 0.000 0.285 165 T C -1.379 173.330 174.700 0.014 0.000 0.995 165 T CA -0.550 61.492 62.100 -0.096 0.000 0.970 165 T CB 0.842 69.403 68.868 -0.512 0.000 0.976 165 T HN 0.153 nan 8.240 nan 0.000 0.441 166 F N 3.046 122.923 119.950 -0.122 0.000 2.427 166 F HA 0.398 4.888 4.527 -0.061 0.000 0.352 166 F C 0.336 176.115 175.800 -0.036 0.000 1.100 166 F CA -1.145 56.594 58.000 -0.435 0.000 1.191 166 F CB 0.663 39.274 39.000 -0.648 0.000 1.128 166 F HN 0.463 nan 8.300 nan 0.000 0.533 167 D N 4.887 124.976 120.400 -0.519 0.000 2.373 167 D HA 0.149 4.752 4.640 -0.061 0.000 0.227 167 D C 0.779 176.681 176.300 -0.663 0.000 1.091 167 D CA -0.163 53.693 54.000 -0.239 0.000 0.840 167 D CB 0.861 41.791 40.800 0.217 0.000 1.060 167 D HN 0.486 nan 8.370 nan 0.000 0.502 168 E N 3.169 123.188 120.200 -0.302 0.000 2.077 168 E HA -0.208 4.106 4.350 -0.061 0.000 0.193 168 E C 1.458 177.978 176.600 -0.135 0.000 0.989 168 E CA 0.852 57.163 56.400 -0.149 0.000 0.800 168 E CB 0.037 29.766 29.700 0.048 0.000 0.746 168 E HN 0.582 nan 8.360 nan 0.000 0.452 169 K N 0.435 120.766 120.400 -0.116 0.000 2.002 169 K HA -0.124 4.160 4.320 -0.061 0.000 0.209 169 K C 1.997 178.512 176.600 -0.142 0.000 1.048 169 K CA 2.057 58.283 56.287 -0.103 0.000 0.930 169 K CB -0.078 32.364 32.500 -0.097 0.000 0.714 169 K HN 0.196 nan 8.250 nan 0.000 0.438 170 T N -1.875 112.552 114.554 -0.212 0.000 3.086 170 T HA 0.084 4.397 4.350 -0.061 0.000 0.250 170 T C 0.092 174.679 174.700 -0.188 0.000 1.074 170 T CA -0.234 61.727 62.100 -0.232 0.000 0.988 170 T CB 0.351 68.988 68.868 -0.385 0.000 0.988 170 T HN 0.253 nan 8.240 nan 0.000 0.530 171 Q N 0.446 120.088 119.800 -0.262 0.000 2.494 171 Q HA -0.145 4.158 4.340 -0.061 0.000 0.272 171 Q C -0.625 175.323 176.000 -0.085 0.000 1.145 171 Q CA 1.052 56.747 55.803 -0.181 0.000 0.943 171 Q CB -1.971 26.824 28.738 0.094 0.000 1.338 171 Q HN 0.800 nan 8.270 nan 0.000 0.492 172 E N -0.885 119.189 120.200 -0.209 0.000 2.369 172 E HA 0.601 4.914 4.350 -0.061 0.000 0.270 172 E C -0.643 176.073 176.600 0.193 0.000 0.909 172 E CA -0.794 55.700 56.400 0.156 0.000 0.775 172 E CB 1.121 31.028 29.700 0.345 0.000 1.270 172 E HN -0.034 nan 8.360 nan 0.000 0.445 173 F N 1.370 121.564 119.950 0.406 0.000 2.375 173 F HA 0.277 4.767 4.527 -0.062 0.000 0.333 173 F C 0.014 176.126 175.800 0.520 0.000 1.104 173 F CA -0.442 57.798 58.000 0.399 0.000 1.149 173 F CB 0.590 39.729 39.000 0.232 0.000 1.190 173 F HN 0.348 nan 8.300 nan 0.000 0.533 174 Y N 1.340 121.904 120.300 0.439 0.000 2.468 174 Y HA 0.695 5.209 4.550 -0.061 0.000 0.342 174 Y C -1.137 174.817 175.900 0.090 0.000 1.021 174 Y CA -1.978 56.129 58.100 0.012 0.000 1.079 174 Y CB 0.771 38.769 38.460 -0.770 0.000 1.226 174 Y HN 0.472 nan 8.280 nan 0.000 0.460 175 L N 4.486 125.634 121.223 -0.124 0.000 2.367 175 L HA 0.521 4.824 4.340 -0.061 0.000 0.275 175 L C -0.928 175.811 176.870 -0.218 0.000 1.129 175 L CA -0.473 53.923 54.840 -0.740 0.000 0.839 175 L CB 0.316 41.828 42.059 -0.911 0.000 1.133 175 L HN 0.867 nan 8.230 nan 0.000 0.453 176 R N 4.367 124.680 120.500 -0.312 0.000 2.713 176 R HA 0.312 4.615 4.340 -0.061 0.000 0.282 176 R C -0.082 176.085 176.300 -0.222 0.000 1.472 176 R CA -0.498 55.526 56.100 -0.127 0.000 1.060 176 R CB -0.518 29.765 30.300 -0.029 0.000 1.237 176 R HN 0.654 nan 8.270 nan 0.000 0.484 177 L N 0.912 122.006 121.223 -0.215 0.000 2.191 177 L HA -0.006 4.297 4.340 -0.061 0.000 0.212 177 L C 0.471 176.918 176.870 -0.706 0.000 1.103 177 L CA 1.564 56.181 54.840 -0.370 0.000 0.769 177 L CB -0.323 41.536 42.059 -0.333 0.000 0.908 177 L HN 0.412 nan 8.230 nan 0.000 0.438 178 F N -0.933 118.789 119.950 -0.381 0.000 2.637 178 F HA 0.159 4.651 4.527 -0.059 0.000 0.187 178 F C 1.472 177.084 175.800 -0.313 0.000 1.055 178 F CA -0.754 56.858 58.000 -0.645 0.000 0.977 178 F CB -0.488 38.061 39.000 -0.752 0.000 2.212 178 F HN -0.054 nan 8.300 nan 0.000 0.645 179 C N 0.168 119.592 119.300 0.207 0.000 2.553 179 C HA 0.343 4.766 4.460 -0.061 0.000 0.345 179 C C 2.024 177.097 174.990 0.139 0.000 1.369 179 C CA -0.181 59.019 59.018 0.303 0.000 2.447 179 C CB 0.513 28.510 27.740 0.429 0.000 2.358 179 C HN 0.805 nan 8.230 nan 0.000 0.676 180 S N 0.076 115.853 115.700 0.128 0.000 2.442 180 S HA -0.141 4.292 4.470 -0.061 0.000 0.236 180 S C 1.123 175.816 174.600 0.156 0.000 1.007 180 S CA 1.606 59.864 58.200 0.096 0.000 0.965 180 S CB -1.242 62.014 63.200 0.095 0.000 0.773 180 S HN 1.254 nan 8.310 nan 0.000 0.504 181 T N -1.576 113.051 114.554 0.122 0.000 3.214 181 T HA 0.377 4.690 4.350 -0.061 0.000 0.264 181 T C 0.158 174.861 174.700 0.005 0.000 1.012 181 T CA -0.563 61.573 62.100 0.060 0.000 0.901 181 T CB -0.173 68.732 68.868 0.062 0.000 1.070 181 T HN 0.416 nan 8.240 nan 0.000 0.561 182 Q N 2.736 122.559 119.800 0.038 0.000 2.769 182 Q HA 0.273 4.576 4.340 -0.061 0.000 0.375 182 Q C -2.686 173.346 176.000 0.055 0.000 0.996 182 Q CA -2.265 53.562 55.803 0.041 0.000 1.042 182 Q CB 1.184 29.911 28.738 -0.017 0.000 1.329 182 Q HN 0.376 nan 8.270 nan 0.000 0.427 183 P HA -0.071 nan 4.420 nan 0.000 0.264 183 P C -0.631 176.875 177.300 0.344 0.000 1.193 183 P CA 0.138 63.221 63.100 -0.028 0.000 0.763 183 P CB 0.743 31.914 31.700 -0.882 0.000 0.810 184 D N 2.468 123.109 120.400 0.401 0.000 2.425 184 D HA 0.130 4.733 4.640 -0.061 0.000 0.247 184 D C 0.426 177.090 176.300 0.607 0.000 1.147 184 D CA 0.300 54.607 54.000 0.510 0.000 0.879 184 D CB 0.094 41.133 40.800 0.398 0.000 1.179 184 D HN 0.256 nan 8.370 nan 0.000 0.456 185 L N 2.654 124.131 121.223 0.424 0.000 2.397 185 L HA 0.148 4.451 4.340 -0.061 0.000 0.271 185 L C 0.725 177.650 176.870 0.093 0.000 1.148 185 L CA -0.391 54.465 54.840 0.027 0.000 0.825 185 L CB 0.391 42.394 42.059 -0.095 0.000 1.117 185 L HN 0.327 nan 8.230 nan 0.000 0.456 186 N N 1.832 120.306 118.700 -0.377 0.000 2.521 186 N HA 0.045 4.748 4.740 -0.061 0.000 0.236 186 N C 0.182 175.454 175.510 -0.398 0.000 1.067 186 N CA -0.228 52.509 53.050 -0.521 0.000 0.939 186 N CB 0.341 38.315 38.487 -0.855 0.000 1.201 186 N HN 0.410 nan 8.380 nan 0.000 0.511 187 W N 1.441 122.506 121.300 -0.392 0.000 2.611 187 W HA 0.040 4.663 4.660 -0.062 0.000 0.251 187 W C 1.475 177.715 176.519 -0.466 0.000 1.265 187 W CA 0.026 56.987 57.345 -0.640 0.000 1.295 187 W CB 0.243 29.159 29.460 -0.907 0.000 1.129 187 W HN 0.534 nan 8.180 nan 0.000 0.630 188 E N -0.297 119.905 120.200 0.004 0.000 2.268 188 E HA -0.115 4.198 4.350 -0.061 0.000 0.195 188 E C 0.629 177.164 176.600 -0.108 0.000 0.995 188 E CA 0.662 57.103 56.400 0.069 0.000 0.836 188 E CB -0.583 29.184 29.700 0.111 0.000 0.763 188 E HN 0.196 nan 8.360 nan 0.000 0.491 189 N N 1.685 120.204 118.700 -0.302 0.000 2.406 189 N HA -0.045 4.659 4.740 -0.061 0.000 0.251 189 N C 0.693 175.883 175.510 -0.533 0.000 1.069 189 N CA 0.163 52.983 53.050 -0.384 0.000 0.947 189 N CB 1.214 39.416 38.487 -0.476 0.000 1.111 189 N HN 0.037 nan 8.380 nan 0.000 0.497 190 E N 2.749 122.727 120.200 -0.369 0.000 2.150 190 E HA -0.163 4.150 4.350 -0.061 0.000 0.193 190 E C 0.246 176.531 176.600 -0.526 0.000 0.985 190 E CA 1.070 57.238 56.400 -0.386 0.000 0.814 190 E CB 0.337 29.917 29.700 -0.201 0.000 0.752 190 E HN 0.588 nan 8.360 nan 0.000 0.466 191 D N 0.269 120.371 120.400 -0.495 0.000 2.117 191 D HA -0.175 4.428 4.640 -0.061 0.000 0.197 191 D C 2.022 177.663 176.300 -1.099 0.000 0.987 191 D CA 0.877 54.566 54.000 -0.518 0.000 0.829 191 D CB -0.591 40.108 40.800 -0.167 0.000 0.961 191 D HN 0.272 nan 8.370 nan 0.000 0.460 192 C N 1.516 119.805 119.300 -1.685 0.000 2.436 192 C HA -0.106 4.317 4.460 -0.061 0.000 0.277 192 C C 2.739 176.694 174.990 -1.724 0.000 1.241 192 C CA 0.678 58.286 59.018 -2.349 0.000 1.721 192 C CB -0.836 25.652 27.740 -2.086 0.000 2.043 192 C HN 0.272 nan 8.230 nan 0.000 0.472 193 R N 0.534 120.138 120.500 -1.493 0.000 2.083 193 R HA -0.151 4.152 4.340 -0.061 0.000 0.237 193 R C 2.352 177.651 176.300 -1.669 0.000 1.137 193 R CA 1.771 56.835 56.100 -1.727 0.000 0.951 193 R CB -0.422 29.037 30.300 -1.402 0.000 0.851 193 R HN 0.618 nan 8.270 nan 0.000 0.434 194 K N 0.320 120.060 120.400 -1.100 0.000 2.057 194 K HA -0.084 4.199 4.320 -0.061 0.000 0.207 194 K C 2.191 178.419 176.600 -0.619 0.000 1.049 194 K CA 1.355 57.207 56.287 -0.725 0.000 0.931 194 K CB -0.145 32.119 32.500 -0.394 0.000 0.714 194 K HN 0.158 nan 8.250 nan 0.000 0.440 195 A N 1.342 123.744 122.820 -0.698 0.000 1.930 195 A HA -0.132 4.152 4.320 -0.061 0.000 0.217 195 A C 2.108 179.468 177.584 -0.372 0.000 1.175 195 A CA 1.191 52.955 52.037 -0.456 0.000 0.627 195 A CB -0.539 18.107 19.000 -0.590 0.000 0.815 195 A HN 0.166 nan 8.150 nan 0.000 0.443 196 I N -1.407 118.712 120.570 -0.750 0.000 2.163 196 I HA -0.291 3.842 4.170 -0.061 0.000 0.243 196 I C 2.379 178.224 176.117 -0.454 0.000 1.085 196 I CA 1.395 62.349 61.300 -0.578 0.000 1.347 196 I CB -0.436 36.971 38.000 -0.987 0.000 1.044 196 I HN 0.378 nan 8.210 nan 0.000 0.408 197 Y N 0.654 120.541 120.300 -0.689 0.000 2.181 197 Y HA -0.256 4.256 4.550 -0.062 0.000 0.288 197 Y C 2.594 178.138 175.900 -0.593 0.000 1.146 197 Y CA 1.207 58.749 58.100 -0.930 0.000 1.164 197 Y CB -1.086 36.370 38.460 -1.674 0.000 0.982 197 Y HN 0.176 nan 8.280 nan 0.000 0.515 198 E N -0.248 119.853 120.200 -0.164 0.000 2.077 198 E HA -0.151 4.162 4.350 -0.061 0.000 0.193 198 E C 2.586 179.309 176.600 0.206 0.000 0.989 198 E CA 1.581 58.058 56.400 0.129 0.000 0.800 198 E CB -0.267 29.513 29.700 0.132 0.000 0.746 198 E HN 0.209 nan 8.360 nan 0.000 0.452 199 S N -1.422 114.374 115.700 0.159 0.000 2.356 199 S HA 0.116 4.549 4.470 -0.061 0.000 0.219 199 S C 1.872 176.595 174.600 0.204 0.000 1.036 199 S CA 0.907 59.236 58.200 0.215 0.000 0.965 199 S CB -0.240 63.144 63.200 0.306 0.000 0.864 199 S HN 0.346 nan 8.310 nan 0.000 0.471 200 A N 0.163 122.955 122.820 -0.046 0.000 2.030 200 A HA 0.279 4.562 4.320 -0.061 0.000 0.215 200 A C 1.923 179.640 177.584 0.223 0.000 1.164 200 A CA 0.970 52.931 52.037 -0.126 0.000 0.697 200 A CB -0.174 18.328 19.000 -0.830 0.000 0.827 200 A HN 0.432 nan 8.150 nan 0.000 0.457 201 V N -1.409 118.604 119.914 0.165 0.000 2.721 201 V HA 0.119 4.202 4.120 -0.061 0.000 0.236 201 V C 2.705 179.145 176.094 0.577 0.000 1.116 201 V CA 1.124 63.562 62.300 0.230 0.000 1.148 201 V CB -1.224 30.592 31.823 -0.011 0.000 0.886 201 V HN 0.437 nan 8.190 nan 0.000 0.490 202 G N -0.968 108.170 108.800 0.563 0.000 2.418 202 G HA2 -0.337 3.586 3.960 -0.061 0.000 0.217 202 G HA3 -0.337 3.586 3.960 -0.061 0.000 0.217 202 G C 1.556 176.676 174.900 0.366 0.000 1.158 202 G CA 1.337 46.757 45.100 0.533 0.000 0.771 202 G HN 0.498 nan 8.290 nan 0.000 0.545 203 Y N 0.237 120.671 120.300 0.225 0.000 2.114 203 Y HA -0.234 4.277 4.550 -0.066 0.000 0.282 203 Y C 2.475 178.376 175.900 0.002 0.000 1.165 203 Y CA 1.995 60.122 58.100 0.044 0.000 1.148 203 Y CB -0.226 38.171 38.460 -0.105 0.000 0.972 203 Y HN 0.325 nan 8.280 nan 0.000 0.504 204 W N -0.414 121.230 121.300 0.574 0.000 2.476 204 W HA -0.037 4.580 4.660 -0.071 0.000 0.281 204 W C 2.189 178.917 176.519 0.348 0.000 1.230 204 W CA 0.702 58.367 57.345 0.532 0.000 1.287 204 W CB -0.430 29.462 29.460 0.720 0.000 1.108 204 W HN 0.003 nan 8.180 nan 0.000 0.567 205 L N 0.129 121.664 121.223 0.521 0.000 2.042 205 L HA -0.240 4.064 4.340 -0.061 0.000 0.210 205 L C 1.811 178.730 176.870 0.082 0.000 1.076 205 L CA 1.258 56.279 54.840 0.300 0.000 0.749 205 L CB -0.758 41.480 42.059 0.298 0.000 0.893 205 L HN -0.090 nan 8.230 nan 0.000 0.432 206 D N -1.317 119.057 120.400 -0.043 0.000 2.263 206 D HA -0.138 4.465 4.640 -0.061 0.000 0.208 206 D C 1.537 177.497 176.300 -0.567 0.000 0.971 206 D CA 1.135 54.950 54.000 -0.308 0.000 0.867 206 D CB -0.065 40.484 40.800 -0.418 0.000 0.929 206 D HN 0.395 nan 8.370 nan 0.000 0.492 207 H N -1.204 117.709 119.070 -0.262 0.000 2.487 207 H HA 0.353 4.875 4.556 -0.056 0.000 0.290 207 H C 1.197 176.492 175.328 -0.054 0.000 1.081 207 H CA 0.493 56.343 56.048 -0.330 0.000 1.116 207 H CB 0.771 30.170 29.762 -0.605 0.000 1.560 207 H HN 0.127 nan 8.280 nan 0.000 0.548 208 G N 1.405 110.257 108.800 0.086 0.000 2.141 208 G HA2 -0.305 3.618 3.960 -0.061 0.000 0.242 208 G HA3 -0.305 3.618 3.960 -0.061 0.000 0.242 208 G C 0.580 175.625 174.900 0.242 0.000 0.982 208 G CA 0.318 45.496 45.100 0.131 0.000 0.662 208 G HN 0.379 nan 8.290 nan 0.000 0.527 209 V N -2.100 117.980 119.914 0.277 0.000 2.963 209 V HA 0.481 4.564 4.120 -0.061 0.000 0.306 209 V C 0.971 177.200 176.094 0.225 0.000 1.077 209 V CA 0.686 63.168 62.300 0.305 0.000 1.124 209 V CB 1.201 33.195 31.823 0.284 0.000 0.987 209 V HN 0.130 nan 8.190 nan 0.000 0.487 210 D N 2.374 122.944 120.400 0.283 0.000 2.349 210 D HA 0.380 4.983 4.640 -0.061 0.000 0.214 210 D C 0.712 177.209 176.300 0.329 0.000 1.063 210 D CA 1.323 55.491 54.000 0.280 0.000 0.847 210 D CB 1.092 42.019 40.800 0.211 0.000 0.933 210 D HN 1.059 nan 8.370 nan 0.000 0.513 211 G N -0.021 108.828 108.800 0.082 0.000 2.317 211 G HA2 0.357 4.280 3.960 -0.061 0.000 0.293 211 G HA3 0.357 4.280 3.960 -0.061 0.000 0.293 211 G C -2.000 172.666 174.900 -0.389 0.000 1.287 211 G CA -0.963 44.110 45.100 -0.045 0.000 0.850 211 G HN -0.010 nan 8.290 nan 0.000 0.515 212 F N 0.161 120.192 119.950 0.135 0.000 2.569 212 F HA 0.712 5.201 4.527 -0.062 0.000 0.312 212 F C 0.251 175.982 175.800 -0.115 0.000 1.109 212 F CA -0.924 57.112 58.000 0.060 0.000 0.919 212 F CB 2.415 41.468 39.000 0.088 0.000 1.211 212 F HN 0.397 nan 8.300 nan 0.000 0.446 213 R N 4.063 124.527 120.500 -0.059 0.000 2.265 213 R HA 0.541 4.844 4.340 -0.061 0.000 0.319 213 R C -1.265 174.972 176.300 -0.106 0.000 1.006 213 R CA -0.247 55.638 56.100 -0.358 0.000 0.880 213 R CB 0.579 30.238 30.300 -1.068 0.000 1.077 213 R HN 0.811 nan 8.270 nan 0.000 0.454 214 I N 3.996 124.498 120.570 -0.114 0.000 2.330 214 I HA 0.091 4.224 4.170 -0.061 0.000 0.286 214 I C 0.040 176.165 176.117 0.013 0.000 1.025 214 I CA -0.809 60.493 61.300 0.003 0.000 1.197 214 I CB 1.280 39.287 38.000 0.012 0.000 1.358 214 I HN 0.498 nan 8.210 nan 0.000 0.467 215 D N 6.053 126.521 120.400 0.114 0.000 2.450 215 D HA 0.097 4.700 4.640 -0.061 0.000 0.247 215 D C 0.946 177.268 176.300 0.037 0.000 1.162 215 D CA 0.164 54.245 54.000 0.136 0.000 0.879 215 D CB 0.839 41.794 40.800 0.259 0.000 1.163 215 D HN 0.498 nan 8.370 nan 0.000 0.472 216 V N 2.003 121.910 119.914 -0.012 0.000 5.404 216 V HA -0.252 3.831 4.120 -0.061 0.000 0.249 216 V C 1.314 177.275 176.094 -0.222 0.000 0.682 216 V CA 1.123 63.377 62.300 -0.078 0.000 0.608 216 V CB -2.242 29.582 31.823 0.001 0.000 0.311 216 V HN 0.709 nan 8.190 nan 0.000 0.680 217 G N 1.334 109.934 108.800 -0.332 0.000 2.559 217 G HA2 0.004 3.927 3.960 -0.061 0.000 0.216 217 G HA3 0.004 3.927 3.960 -0.061 0.000 0.216 217 G C 1.258 175.674 174.900 -0.807 0.000 1.126 217 G CA 0.772 45.492 45.100 -0.632 0.000 0.778 217 G HN 1.553 nan 8.290 nan 0.000 0.543 218 S N -0.358 115.025 115.700 -0.528 0.000 2.605 218 S HA 0.289 4.723 4.470 -0.061 0.000 0.217 218 S C 1.568 176.016 174.600 -0.253 0.000 0.958 218 S CA -0.217 57.765 58.200 -0.362 0.000 0.919 218 S CB 0.058 63.096 63.200 -0.269 0.000 0.780 218 S HN 0.258 nan 8.310 nan 0.000 0.507 219 L N -0.289 120.755 121.223 -0.299 0.000 2.693 219 L HA 0.323 4.626 4.340 -0.061 0.000 0.235 219 L C 1.306 178.176 176.870 -0.001 0.000 1.127 219 L CA 0.043 54.830 54.840 -0.090 0.000 0.914 219 L CB -0.350 41.726 42.059 0.029 0.000 1.193 219 L HN 0.348 nan 8.230 nan 0.000 0.502 220 Y N -0.537 119.642 120.300 -0.202 0.000 2.352 220 Y HA -0.085 4.428 4.550 -0.062 0.000 0.292 220 Y C 1.711 177.607 175.900 -0.007 0.000 1.136 220 Y CA -0.049 57.783 58.100 -0.445 0.000 1.227 220 Y CB 0.194 37.912 38.460 -1.237 0.000 0.991 220 Y HN 0.059 nan 8.280 nan 0.000 0.545 221 S N 0.986 116.848 115.700 0.269 0.000 2.420 221 S HA 0.323 4.756 4.470 -0.061 0.000 0.313 221 S C -0.657 174.079 174.600 0.227 0.000 1.079 221 S CA -0.850 57.551 58.200 0.335 0.000 1.104 221 S CB 0.205 63.488 63.200 0.137 0.000 0.969 221 S HN 0.008 nan 8.310 nan 0.000 0.471 222 K N 3.058 123.640 120.400 0.303 0.000 2.156 222 K HA 0.461 4.744 4.320 -0.061 0.000 0.271 222 K C -0.617 176.137 176.600 0.257 0.000 0.995 222 K CA -0.543 55.896 56.287 0.253 0.000 0.890 222 K CB 1.441 34.084 32.500 0.238 0.000 1.073 222 K HN 0.459 nan 8.250 nan 0.000 0.454 223 V N 3.448 123.506 119.914 0.241 0.000 2.655 223 V HA -0.007 4.076 4.120 -0.061 0.000 0.300 223 V C 0.493 176.685 176.094 0.162 0.000 1.044 223 V CA -0.479 61.932 62.300 0.185 0.000 1.095 223 V CB 1.294 33.229 31.823 0.187 0.000 0.952 223 V HN 0.540 nan 8.190 nan 0.000 0.485 224 V N 6.258 126.248 119.914 0.127 0.000 2.814 224 V HA 0.367 4.451 4.120 -0.061 0.000 0.307 224 V C 1.452 177.585 176.094 0.064 0.000 1.089 224 V CA 1.628 64.000 62.300 0.120 0.000 1.212 224 V CB 0.442 32.323 31.823 0.096 0.000 0.912 224 V HN 1.396 nan 8.190 nan 0.000 0.497 225 G N 4.470 113.320 108.800 0.083 0.000 2.225 225 G HA2 -0.248 3.676 3.960 -0.061 0.000 0.254 225 G HA3 -0.248 3.676 3.960 -0.061 0.000 0.254 225 G C 0.464 175.356 174.900 -0.015 0.000 0.988 225 G CA 0.016 45.131 45.100 0.026 0.000 0.625 225 G HN 1.675 nan 8.290 nan 0.000 0.527 226 L N -0.420 120.818 121.223 0.026 0.000 3.879 226 L HA -0.128 4.175 4.340 -0.061 0.000 0.481 226 L C -1.784 174.971 176.870 -0.191 0.000 1.232 226 L CA 0.369 55.175 54.840 -0.057 0.000 0.736 226 L CB -1.607 40.317 42.059 -0.224 0.000 1.511 226 L HN 0.309 nan 8.230 nan 0.000 0.830 227 P HA 0.119 nan 4.420 nan 0.000 0.274 227 P C 0.045 177.434 177.300 0.148 0.000 1.231 227 P CA -0.271 62.742 63.100 -0.145 0.000 0.790 227 P CB 0.514 31.999 31.700 -0.358 0.000 0.951 228 D N 0.396 120.867 120.400 0.118 0.000 2.583 228 D HA 0.082 4.685 4.640 -0.061 0.000 0.232 228 D C 0.537 177.159 176.300 0.537 0.000 1.128 228 D CA 0.841 55.002 54.000 0.268 0.000 0.859 228 D CB 0.464 41.339 40.800 0.126 0.000 1.169 228 D HN 0.332 nan 8.370 nan 0.000 0.481 229 A N 4.417 127.613 122.820 0.627 0.000 2.332 229 A HA 0.428 4.711 4.320 -0.061 0.000 0.258 229 A C -2.123 175.572 177.584 0.184 0.000 1.087 229 A CA -1.151 51.124 52.037 0.396 0.000 0.802 229 A CB 0.069 19.175 19.000 0.178 0.000 1.042 229 A HN 0.310 nan 8.150 nan 0.000 0.489 230 P HA 0.124 nan 4.420 nan 0.000 0.266 230 P C -0.530 176.775 177.300 0.009 0.000 1.195 230 P CA 0.012 63.126 63.100 0.022 0.000 0.768 230 P CB 0.391 32.067 31.700 -0.039 0.000 0.838 231 V N 4.498 124.417 119.914 0.008 0.000 2.229 231 V HA -0.020 4.063 4.120 -0.061 0.000 0.245 231 V C 1.670 177.750 176.094 -0.023 0.000 1.243 231 V CA 0.326 62.621 62.300 -0.008 0.000 1.176 231 V CB -0.337 31.477 31.823 -0.015 0.000 1.323 231 V HN 0.479 nan 8.190 nan 0.000 0.499 232 V N -0.405 119.490 119.914 -0.032 0.000 3.174 232 V HA 0.246 4.329 4.120 -0.061 0.000 0.254 232 V C 0.762 176.836 176.094 -0.033 0.000 1.120 232 V CA 0.640 62.916 62.300 -0.039 0.000 1.114 232 V CB 0.177 31.966 31.823 -0.057 0.000 0.756 232 V HN 0.637 nan 8.190 nan 0.000 0.467 233 D N 1.094 121.474 120.400 -0.033 0.000 2.454 233 D HA 0.281 4.884 4.640 -0.061 0.000 0.225 233 D C 0.798 177.078 176.300 -0.033 0.000 1.081 233 D CA -0.407 53.576 54.000 -0.029 0.000 0.864 233 D CB 1.440 42.221 40.800 -0.033 0.000 1.040 233 D HN 0.057 nan 8.370 nan 0.000 0.517 234 K N 2.354 122.738 120.400 -0.027 0.000 2.525 234 K HA -0.030 4.253 4.320 -0.061 0.000 0.192 234 K C 0.645 177.232 176.600 -0.023 0.000 1.029 234 K CA 0.163 56.432 56.287 -0.029 0.000 1.029 234 K CB 0.109 32.595 32.500 -0.023 0.000 0.814 234 K HN 0.230 nan 8.250 nan 0.000 0.503 235 N N 0.497 119.190 118.700 -0.011 0.000 2.338 235 N HA 0.012 4.715 4.740 -0.061 0.000 0.251 235 N C -1.419 174.132 175.510 0.067 0.000 1.199 235 N CA -0.128 52.942 53.050 0.033 0.000 0.879 235 N CB 0.610 39.102 38.487 0.009 0.000 1.159 235 N HN -0.118 nan 8.380 nan 0.000 0.514 236 S N -1.651 114.033 115.700 -0.026 0.000 2.575 236 S HA 0.309 4.742 4.470 -0.061 0.000 0.278 236 S C 0.857 175.344 174.600 -0.188 0.000 1.139 236 S CA -0.490 57.664 58.200 -0.076 0.000 0.954 236 S CB 0.854 64.014 63.200 -0.065 0.000 1.054 236 S HN 0.160 nan 8.310 nan 0.000 0.483 237 T N 3.431 117.768 114.554 -0.361 0.000 2.788 237 T HA -0.007 4.306 4.350 -0.061 0.000 0.268 237 T C 0.048 174.305 174.700 -0.738 0.000 1.044 237 T CA 1.281 62.957 62.100 -0.705 0.000 1.139 237 T CB -0.142 68.034 68.868 -1.153 0.000 0.867 237 T HN 0.673 nan 8.240 nan 0.000 0.454 238 W N 1.142 122.411 121.300 -0.051 0.000 2.570 238 W HA 0.604 5.228 4.660 -0.060 0.000 0.337 238 W C -0.144 176.355 176.519 -0.033 0.000 1.067 238 W CA -1.183 56.150 57.345 -0.021 0.000 1.229 238 W CB 0.911 30.358 29.460 -0.022 0.000 1.355 238 W HN -0.231 nan 8.180 nan 0.000 0.555 239 Q N 1.254 121.195 119.800 0.233 0.000 2.365 239 Q HA 0.262 4.565 4.340 -0.061 0.000 0.269 239 Q C -0.256 175.748 176.000 0.007 0.000 1.061 239 Q CA -1.001 54.854 55.803 0.087 0.000 0.816 239 Q CB 2.052 30.839 28.738 0.082 0.000 1.325 239 Q HN 0.485 nan 8.270 nan 0.000 0.446 240 S N 0.787 116.424 115.700 -0.105 0.000 2.626 240 S HA -0.053 4.380 4.470 -0.061 0.000 0.303 240 S C 1.025 175.415 174.600 -0.349 0.000 1.256 240 S CA 0.521 58.576 58.200 -0.240 0.000 1.069 240 S CB 0.217 63.273 63.200 -0.238 0.000 0.807 240 S HN 0.635 nan 8.310 nan 0.000 0.500 241 S N 3.075 118.445 115.700 -0.550 0.000 2.593 241 S HA 0.037 4.470 4.470 -0.061 0.000 0.217 241 S C 0.947 175.127 174.600 -0.701 0.000 0.966 241 S CA 0.187 57.812 58.200 -0.958 0.000 0.914 241 S CB -0.162 62.107 63.200 -1.551 0.000 0.776 241 S HN 0.762 nan 8.310 nan 0.000 0.523 242 D N 3.466 123.580 120.400 -0.475 0.000 2.157 242 D HA -0.084 4.519 4.640 -0.061 0.000 0.191 242 D C -0.787 175.306 176.300 -0.344 0.000 1.004 242 D CA 1.371 55.166 54.000 -0.341 0.000 0.854 242 D CB -1.754 38.887 40.800 -0.265 0.000 0.936 242 D HN 0.388 nan 8.370 nan 0.000 0.446 243 P HA -0.124 nan 4.420 nan 0.000 0.219 243 P C 0.737 177.812 177.300 -0.375 0.000 1.146 243 P CA 1.211 64.010 63.100 -0.502 0.000 0.808 243 P CB -0.151 31.054 31.700 -0.825 0.000 0.779 244 Y N -2.574 117.621 120.300 -0.176 0.000 2.481 244 Y HA 0.164 4.677 4.550 -0.062 0.000 0.247 244 Y C 1.743 177.547 175.900 -0.161 0.000 1.151 244 Y CA 0.378 58.419 58.100 -0.099 0.000 1.238 244 Y CB 0.181 38.680 38.460 0.064 0.000 1.179 244 Y HN 0.028 nan 8.280 nan 0.000 0.524 245 T N -3.082 111.375 114.554 -0.161 0.000 2.969 245 T HA 0.177 4.490 4.350 -0.061 0.000 0.258 245 T C -0.160 174.493 174.700 -0.078 0.000 0.962 245 T CA -0.142 61.874 62.100 -0.139 0.000 0.903 245 T CB -0.085 68.614 68.868 -0.283 0.000 1.177 245 T HN -0.002 nan 8.240 nan 0.000 0.511 246 L N 3.250 124.416 121.223 -0.095 0.000 2.264 246 L HA 0.541 4.844 4.340 -0.061 0.000 0.289 246 L C -0.594 176.245 176.870 -0.051 0.000 1.044 246 L CA 0.120 54.923 54.840 -0.062 0.000 0.807 246 L CB 0.078 42.102 42.059 -0.059 0.000 1.192 246 L HN 0.215 nan 8.230 nan 0.000 0.425 247 N N 3.195 121.868 118.700 -0.045 0.000 2.714 247 N HA -0.171 4.533 4.740 -0.061 0.000 0.253 247 N C 0.279 175.755 175.510 -0.057 0.000 1.024 247 N CA 1.043 54.065 53.050 -0.048 0.000 0.726 247 N CB -1.139 37.329 38.487 -0.032 0.000 0.908 247 N HN 0.935 nan 8.380 nan 0.000 0.542 248 G N 0.669 109.448 108.800 -0.036 0.000 2.684 248 G HA2 0.274 4.197 3.960 -0.061 0.000 0.255 248 G HA3 0.274 4.197 3.960 -0.061 0.000 0.255 248 G C -0.553 174.323 174.900 -0.040 0.000 1.219 248 G CA -0.607 44.492 45.100 -0.003 0.000 0.901 248 G HN 0.059 nan 8.290 nan 0.000 0.548 249 P HA -0.050 nan 4.420 nan 0.000 0.222 249 P C 1.075 178.310 177.300 -0.108 0.000 1.147 249 P CA 0.935 64.014 63.100 -0.035 0.000 0.790 249 P CB 0.302 32.003 31.700 0.001 0.000 0.780 250 R N -1.430 118.940 120.500 -0.217 0.000 2.432 250 R HA 0.189 4.492 4.340 -0.061 0.000 0.260 250 R C 1.732 177.657 176.300 -0.624 0.000 0.935 250 R CA -0.387 55.405 56.100 -0.514 0.000 1.080 250 R CB -0.325 29.446 30.300 -0.882 0.000 1.155 250 R HN 0.089 nan 8.270 nan 0.000 0.531 251 I N 0.634 121.023 120.570 -0.302 0.000 2.315 251 I HA -0.210 3.923 4.170 -0.061 0.000 0.248 251 I C 1.569 177.639 176.117 -0.079 0.000 1.117 251 I CA 1.840 63.047 61.300 -0.155 0.000 1.404 251 I CB 0.008 37.918 38.000 -0.150 0.000 1.071 251 I HN 0.159 nan 8.210 nan 0.000 0.419 252 H N -0.566 118.506 119.070 0.003 0.000 2.395 252 H HA -0.092 4.428 4.556 -0.061 0.000 0.299 252 H C 2.136 177.516 175.328 0.088 0.000 1.070 252 H CA 1.388 57.466 56.048 0.050 0.000 1.356 252 H CB -0.047 29.665 29.762 -0.083 0.000 1.401 252 H HN 0.408 nan 8.280 nan 0.000 0.524 253 E N 0.827 121.070 120.200 0.071 0.000 2.070 253 E HA -0.209 4.104 4.350 -0.061 0.000 0.197 253 E C 1.475 178.209 176.600 0.224 0.000 1.004 253 E CA 1.335 57.771 56.400 0.060 0.000 0.805 253 E CB -0.173 29.462 29.700 -0.108 0.000 0.744 253 E HN 0.517 nan 8.360 nan 0.000 0.451 254 F N -0.198 119.860 119.950 0.180 0.000 2.146 254 F HA -0.180 4.310 4.527 -0.061 0.000 0.298 254 F C 2.712 178.598 175.800 0.142 0.000 1.096 254 F CA 0.731 58.853 58.000 0.204 0.000 1.275 254 F CB -0.215 38.865 39.000 0.133 0.000 1.008 254 F HN 0.176 nan 8.300 nan 0.000 0.480 255 H N 0.222 119.517 119.070 0.375 0.000 2.423 255 H HA -0.118 4.401 4.556 -0.062 0.000 0.297 255 H C 2.098 177.564 175.328 0.230 0.000 1.075 255 H CA 1.314 57.527 56.048 0.275 0.000 1.342 255 H CB -0.272 29.629 29.762 0.232 0.000 1.395 255 H HN 0.445 nan 8.280 nan 0.000 0.530 256 Q N 0.446 120.440 119.800 0.323 0.000 2.084 256 Q HA -0.145 4.158 4.340 -0.061 0.000 0.202 256 Q C 2.273 178.388 176.000 0.191 0.000 0.978 256 Q CA 1.136 57.082 55.803 0.238 0.000 0.844 256 Q CB 0.078 28.938 28.738 0.204 0.000 0.898 256 Q HN 0.526 nan 8.270 nan 0.000 0.426 257 E N 0.642 120.973 120.200 0.219 0.000 2.077 257 E HA -0.222 4.092 4.350 -0.061 0.000 0.193 257 E C 2.003 178.625 176.600 0.037 0.000 0.989 257 E CA 0.992 57.506 56.400 0.190 0.000 0.800 257 E CB -0.025 29.865 29.700 0.317 0.000 0.746 257 E HN 0.288 nan 8.360 nan 0.000 0.452 258 M N 0.592 120.179 119.600 -0.022 0.000 2.175 258 M HA -0.174 4.270 4.480 -0.061 0.000 0.264 258 M C 1.970 178.222 176.300 -0.079 0.000 1.063 258 M CA 1.824 56.917 55.300 -0.344 0.000 1.119 258 M CB -0.127 32.376 32.600 -0.162 0.000 1.377 258 M HN 0.064 nan 8.290 nan 0.000 0.415 259 N N -0.681 118.060 118.700 0.068 0.000 2.104 259 N HA -0.231 4.473 4.740 -0.061 0.000 0.190 259 N C 1.773 177.329 175.510 0.077 0.000 1.024 259 N CA 1.534 54.650 53.050 0.109 0.000 0.853 259 N CB 0.075 38.663 38.487 0.167 0.000 1.008 259 N HN 0.355 nan 8.380 nan 0.000 0.424 260 Q N -0.227 119.610 119.800 0.063 0.000 2.119 260 Q HA -0.143 4.161 4.340 -0.061 0.000 0.201 260 Q C 1.830 177.838 176.000 0.013 0.000 0.972 260 Q CA 0.977 56.798 55.803 0.031 0.000 0.847 260 Q CB -0.612 28.150 28.738 0.041 0.000 0.903 260 Q HN 0.517 nan 8.270 nan 0.000 0.433 261 F N 1.181 121.049 119.950 -0.138 0.000 2.095 261 F HA -0.228 4.261 4.527 -0.063 0.000 0.298 261 F C 2.033 177.784 175.800 -0.082 0.000 1.104 261 F CA 1.269 59.171 58.000 -0.163 0.000 1.232 261 F CB -0.265 38.476 39.000 -0.431 0.000 0.987 261 F HN -0.028 nan 8.300 nan 0.000 0.475 262 I N 0.239 120.817 120.570 0.013 0.000 2.179 262 I HA -0.323 3.810 4.170 -0.061 0.000 0.242 262 I C 2.741 178.830 176.117 -0.047 0.000 1.088 262 I CA 1.715 63.031 61.300 0.028 0.000 1.357 262 I CB -0.627 37.482 38.000 0.181 0.000 1.051 262 I HN 0.127 nan 8.210 nan 0.000 0.409 263 R N 1.125 121.613 120.500 -0.020 0.000 2.091 263 R HA -0.204 4.099 4.340 -0.061 0.000 0.238 263 R C 1.838 178.093 176.300 -0.075 0.000 1.136 263 R CA 1.893 57.981 56.100 -0.019 0.000 0.959 263 R CB -0.224 30.070 30.300 -0.009 0.000 0.856 263 R HN 0.383 nan 8.270 nan 0.000 0.437 264 N N 0.119 118.735 118.700 -0.140 0.000 2.494 264 N HA -0.106 4.598 4.740 -0.061 0.000 0.182 264 N C 1.591 176.964 175.510 -0.228 0.000 1.076 264 N CA 0.666 53.619 53.050 -0.162 0.000 0.908 264 N CB 0.027 38.423 38.487 -0.152 0.000 0.967 264 N HN 0.176 nan 8.380 nan 0.000 0.449 265 R N 0.540 120.842 120.500 -0.329 0.000 2.175 265 R HA 0.181 4.484 4.340 -0.061 0.000 0.202 265 R C 0.059 176.272 176.300 -0.144 0.000 1.018 265 R CA 0.198 56.100 56.100 -0.330 0.000 1.029 265 R CB -0.330 29.600 30.300 -0.616 0.000 0.959 265 R HN -0.201 nan 8.270 nan 0.000 0.480 266 V N 2.873 122.738 119.914 -0.081 0.000 2.617 266 V HA -0.058 4.025 4.120 -0.061 0.000 0.304 266 V C 0.906 176.978 176.094 -0.036 0.000 1.040 266 V CA 0.846 63.134 62.300 -0.019 0.000 1.149 266 V CB 1.066 32.905 31.823 0.026 0.000 0.914 266 V HN 0.374 nan 8.190 nan 0.000 0.487 267 K N 2.134 122.513 120.400 -0.035 0.000 2.354 267 K HA 0.075 4.358 4.320 -0.061 0.000 0.194 267 K C 0.454 177.034 176.600 -0.033 0.000 1.038 267 K CA 0.595 56.856 56.287 -0.043 0.000 1.052 267 K CB 0.286 32.750 32.500 -0.059 0.000 0.861 267 K HN 0.898 nan 8.250 nan 0.000 0.535 268 D N -1.070 119.317 120.400 -0.022 0.000 2.563 268 D HA 0.106 4.709 4.640 -0.061 0.000 0.237 268 D C 0.887 177.185 176.300 -0.004 0.000 1.282 268 D CA 0.061 54.049 54.000 -0.021 0.000 0.816 268 D CB 0.436 41.215 40.800 -0.034 0.000 1.066 268 D HN 0.110 nan 8.370 nan 0.000 0.501 269 G N 1.832 110.638 108.800 0.010 0.000 2.175 269 G HA2 -0.384 3.539 3.960 -0.061 0.000 0.265 269 G HA3 -0.384 3.539 3.960 -0.061 0.000 0.265 269 G C 0.402 175.337 174.900 0.057 0.000 0.979 269 G CA 0.417 45.535 45.100 0.030 0.000 0.663 269 G HN 0.777 nan 8.290 nan 0.000 0.533 270 R N 0.199 120.734 120.500 0.057 0.000 2.738 270 R HA 0.487 4.790 4.340 -0.061 0.000 0.268 270 R C 0.115 176.519 176.300 0.174 0.000 1.062 270 R CA 0.059 56.213 56.100 0.090 0.000 1.158 270 R CB 0.677 31.005 30.300 0.047 0.000 1.046 270 R HN 0.341 nan 8.270 nan 0.000 0.493 271 E N 2.767 123.136 120.200 0.283 0.000 2.152 271 E HA 0.159 4.472 4.350 -0.061 0.000 0.285 271 E C -0.662 176.264 176.600 0.544 0.000 1.043 271 E CA -0.627 56.027 56.400 0.423 0.000 0.839 271 E CB 0.720 30.767 29.700 0.579 0.000 1.069 271 E HN 0.422 nan 8.360 nan 0.000 0.399 272 I N 5.462 126.233 120.570 0.336 0.000 2.336 272 I HA 0.230 4.363 4.170 -0.061 0.000 0.292 272 I C 0.200 176.348 176.117 0.053 0.000 0.991 272 I CA -0.555 60.914 61.300 0.280 0.000 1.227 272 I CB 1.104 39.239 38.000 0.224 0.000 1.366 272 I HN 0.779 nan 8.210 nan 0.000 0.466 273 M N 6.643 126.245 119.600 0.004 0.000 2.318 273 M HA 0.384 4.827 4.480 -0.061 0.000 0.347 273 M C -0.565 175.627 176.300 -0.181 0.000 1.175 273 M CA -0.225 54.808 55.300 -0.445 0.000 1.075 273 M CB 1.318 33.596 32.600 -0.537 0.000 1.614 273 M HN 0.739 nan 8.290 nan 0.000 0.456 274 T N 1.903 116.286 114.554 -0.286 0.000 2.812 274 T HA 0.548 4.862 4.350 -0.061 0.000 0.282 274 T C -0.870 173.659 174.700 -0.285 0.000 0.990 274 T CA -0.847 61.168 62.100 -0.141 0.000 0.960 274 T CB 1.578 70.430 68.868 -0.027 0.000 0.948 274 T HN 0.550 nan 8.240 nan 0.000 0.438 275 V N 3.112 122.829 119.914 -0.329 0.000 2.378 275 V HA 0.799 4.882 4.120 -0.061 0.000 0.288 275 V C 0.381 176.126 176.094 -0.582 0.000 1.016 275 V CA -0.191 61.786 62.300 -0.540 0.000 0.840 275 V CB 0.846 32.223 31.823 -0.744 0.000 0.994 275 V HN 1.242 nan 8.190 nan 0.000 0.431 276 G N 4.129 112.590 108.800 -0.565 0.000 2.338 276 G HA2 0.360 4.284 3.960 -0.061 0.000 0.298 276 G HA3 0.360 4.284 3.960 -0.061 0.000 0.298 276 G C -0.208 174.401 174.900 -0.484 0.000 1.140 276 G CA -0.403 44.398 45.100 -0.498 0.000 0.860 276 G HN 0.843 nan 8.290 nan 0.000 0.470 277 E N 3.272 123.317 120.200 -0.258 0.000 1.814 277 E HA 0.078 4.392 4.350 -0.061 0.000 0.264 277 E C 0.987 177.440 176.600 -0.245 0.000 1.179 277 E CA -0.427 55.959 56.400 -0.024 0.000 0.972 277 E CB 0.141 29.946 29.700 0.174 0.000 1.077 277 E HN 0.468 nan 8.360 nan 0.000 0.417 278 M N 1.895 121.262 119.600 -0.387 0.000 2.509 278 M HA 0.020 4.463 4.480 -0.061 0.000 0.250 278 M C 0.949 176.909 176.300 -0.566 0.000 1.132 278 M CA 0.485 55.492 55.300 -0.488 0.000 1.080 278 M CB -0.252 32.023 32.600 -0.542 0.000 1.408 278 M HN 0.465 nan 8.290 nan 0.000 0.484 279 Q N -0.334 118.868 119.800 -0.997 0.000 2.999 279 Q HA -0.195 4.109 4.340 -0.061 0.000 0.198 279 Q C -0.066 175.078 176.000 -1.426 0.000 2.818 279 Q CA 1.909 56.623 55.803 -1.814 0.000 0.236 279 Q CB -1.160 26.976 28.738 -1.002 0.000 0.201 279 Q HN 0.604 nan 8.270 nan 0.000 0.436 280 H N -0.701 118.155 119.070 -0.357 0.000 2.974 280 H HA 0.817 5.337 4.556 -0.061 0.000 0.366 280 H C -1.055 174.190 175.328 -0.139 0.000 1.155 280 H CA 0.074 56.008 56.048 -0.189 0.000 1.186 280 H CB 2.250 31.936 29.762 -0.127 0.000 1.799 280 H HN 0.497 nan 8.280 nan 0.000 0.541 281 A N 1.671 124.486 122.820 -0.008 0.000 2.582 281 A HA 0.430 4.713 4.320 -0.061 0.000 0.297 281 A C -0.138 177.402 177.584 -0.074 0.000 1.059 281 A CA -0.462 51.556 52.037 -0.031 0.000 0.705 281 A CB 1.165 20.157 19.000 -0.012 0.000 1.279 281 A HN 0.735 nan 8.150 nan 0.000 0.404 282 S N 0.981 116.634 115.700 -0.077 0.000 2.580 282 S HA 0.208 4.641 4.470 -0.061 0.000 0.266 282 S C 0.357 174.861 174.600 -0.160 0.000 1.354 282 S CA 0.584 58.725 58.200 -0.098 0.000 1.008 282 S CB 0.467 63.619 63.200 -0.080 0.000 0.898 282 S HN 0.576 nan 8.310 nan 0.000 0.555 283 D N 0.759 121.061 120.400 -0.164 0.000 2.149 283 D HA -0.098 4.506 4.640 -0.061 0.000 0.198 283 D C 1.820 178.007 176.300 -0.188 0.000 0.990 283 D CA 1.666 55.528 54.000 -0.231 0.000 0.839 283 D CB -0.411 40.330 40.800 -0.097 0.000 0.948 283 D HN 0.843 nan 8.370 nan 0.000 0.460 284 E N 0.222 120.353 120.200 -0.115 0.000 2.077 284 E HA -0.135 4.178 4.350 -0.061 0.000 0.193 284 E C 1.838 178.351 176.600 -0.145 0.000 0.989 284 E CA 1.652 57.992 56.400 -0.102 0.000 0.800 284 E CB -0.410 29.240 29.700 -0.083 0.000 0.746 284 E HN 0.082 nan 8.360 nan 0.000 0.452 285 T N 0.729 115.193 114.554 -0.149 0.000 2.746 285 T HA -0.120 4.193 4.350 -0.061 0.000 0.267 285 T C 1.624 176.235 174.700 -0.149 0.000 1.039 285 T CA 1.584 63.583 62.100 -0.168 0.000 1.142 285 T CB -0.180 68.626 68.868 -0.103 0.000 0.866 285 T HN 0.213 nan 8.240 nan 0.000 0.444 286 K N 0.825 121.117 120.400 -0.179 0.000 2.063 286 K HA -0.062 4.221 4.320 -0.061 0.000 0.208 286 K C 2.612 179.173 176.600 -0.065 0.000 1.048 286 K CA 1.126 57.270 56.287 -0.238 0.000 0.928 286 K CB -0.160 31.772 32.500 -0.947 0.000 0.713 286 K HN 0.257 nan 8.250 nan 0.000 0.442 287 R N 0.811 121.275 120.500 -0.061 0.000 2.081 287 R HA -0.072 4.231 4.340 -0.061 0.000 0.235 287 R C 2.396 178.699 176.300 0.005 0.000 1.131 287 R CA 1.129 57.291 56.100 0.103 0.000 0.960 287 R CB -0.438 29.913 30.300 0.085 0.000 0.856 287 R HN 0.173 nan 8.270 nan 0.000 0.436 288 L N -0.614 120.519 121.223 -0.149 0.000 2.131 288 L HA -0.207 4.096 4.340 -0.061 0.000 0.210 288 L C 2.026 178.794 176.870 -0.170 0.000 1.092 288 L CA 1.224 55.867 54.840 -0.328 0.000 0.759 288 L CB -0.387 41.196 42.059 -0.794 0.000 0.903 288 L HN 0.173 nan 8.230 nan 0.000 0.435 289 Y N -0.249 120.065 120.300 0.022 0.000 2.286 289 Y HA -0.130 4.384 4.550 -0.060 0.000 0.293 289 Y C 2.826 178.732 175.900 0.010 0.000 1.124 289 Y CA 1.408 59.528 58.100 0.034 0.000 1.178 289 Y CB -0.500 37.930 38.460 -0.050 0.000 1.010 289 Y HN 0.254 nan 8.280 nan 0.000 0.536 290 T N -4.670 110.016 114.554 0.220 0.000 3.010 290 T HA 0.153 4.466 4.350 -0.061 0.000 0.257 290 T C 0.821 175.623 174.700 0.170 0.000 1.020 290 T CA 0.118 62.332 62.100 0.191 0.000 0.938 290 T CB -0.387 68.639 68.868 0.263 0.000 1.049 290 T HN 0.045 nan 8.240 nan 0.000 0.522 291 S N 1.115 116.895 115.700 0.133 0.000 2.544 291 S HA 0.444 4.877 4.470 -0.061 0.000 0.290 291 S C 1.773 176.386 174.600 0.021 0.000 1.276 291 S CA 0.120 58.368 58.200 0.081 0.000 1.075 291 S CB 0.300 63.524 63.200 0.041 0.000 0.849 291 S HN 0.584 nan 8.310 nan 0.000 0.494 292 A N 4.668 127.502 122.820 0.024 0.000 1.940 292 A HA -0.088 4.195 4.320 -0.061 0.000 0.219 292 A C 2.434 179.843 177.584 -0.292 0.000 1.176 292 A CA 2.106 54.108 52.037 -0.059 0.000 0.631 292 A CB -1.341 17.671 19.000 0.020 0.000 0.814 292 A HN 1.395 nan 8.150 nan 0.000 0.446 293 S N -0.748 114.838 115.700 -0.189 0.000 2.474 293 S HA -0.097 4.336 4.470 -0.061 0.000 0.235 293 S C 1.746 176.237 174.600 -0.182 0.000 0.997 293 S CA 0.835 58.913 58.200 -0.203 0.000 0.949 293 S CB -0.326 62.845 63.200 -0.048 0.000 0.766 293 S HN 0.548 nan 8.310 nan 0.000 0.517 294 R N 0.321 120.738 120.500 -0.138 0.000 2.240 294 R HA 0.082 4.385 4.340 -0.061 0.000 0.203 294 R C -0.062 176.286 176.300 0.079 0.000 1.011 294 R CA 0.483 56.574 56.100 -0.014 0.000 1.007 294 R CB -0.747 29.552 30.300 -0.003 0.000 0.911 294 R HN 0.605 nan 8.270 nan 0.000 0.468 295 H N 0.347 119.465 119.070 0.080 0.000 2.592 295 H HA -0.165 4.354 4.556 -0.062 0.000 0.323 295 H C 0.304 175.699 175.328 0.111 0.000 1.117 295 H CA 1.029 57.129 56.048 0.085 0.000 1.120 295 H CB -0.985 28.823 29.762 0.076 0.000 1.561 295 H HN 0.473 nan 8.280 nan 0.000 0.409 296 E N -0.366 119.935 120.200 0.169 0.000 3.076 296 E HA 0.404 4.717 4.350 -0.061 0.000 0.279 296 E C 0.659 177.329 176.600 0.117 0.000 0.945 296 E CA -0.591 55.931 56.400 0.203 0.000 1.046 296 E CB 0.693 30.555 29.700 0.270 0.000 2.828 296 E HN 0.078 nan 8.360 nan 0.000 0.582 297 L N 0.946 122.198 121.223 0.048 0.000 2.352 297 L HA 0.262 4.565 4.340 -0.061 0.000 0.269 297 L C 1.015 177.821 176.870 -0.106 0.000 1.034 297 L CA -0.323 54.474 54.840 -0.072 0.000 0.806 297 L CB 1.684 43.633 42.059 -0.183 0.000 1.244 297 L HN 0.246 nan 8.230 nan 0.000 0.447 298 S N -0.030 115.515 115.700 -0.260 0.000 2.387 298 S HA -0.029 4.404 4.470 -0.061 0.000 0.226 298 S C 0.143 174.690 174.600 -0.088 0.000 1.026 298 S CA 0.656 58.599 58.200 -0.429 0.000 0.972 298 S CB -0.156 62.359 63.200 -1.143 0.000 0.814 298 S HN 0.792 nan 8.310 nan 0.000 0.477 299 E N -0.162 119.976 120.200 -0.104 0.000 2.417 299 E HA 0.505 4.818 4.350 -0.061 0.000 0.280 299 E C -1.848 174.625 176.600 -0.212 0.000 1.112 299 E CA -1.135 55.261 56.400 -0.007 0.000 0.863 299 E CB 0.869 30.651 29.700 0.137 0.000 1.346 299 E HN 0.097 nan 8.360 nan 0.000 0.443 300 L N -2.148 118.960 121.223 -0.192 0.000 2.415 300 L HA 0.723 5.026 4.340 -0.061 0.000 0.256 300 L C -1.251 175.480 176.870 -0.231 0.000 1.010 300 L CA -1.003 53.629 54.840 -0.348 0.000 0.826 300 L CB 0.875 42.756 42.059 -0.296 0.000 1.405 300 L HN 0.487 nan 8.230 nan 0.000 0.410 301 F N 1.268 121.156 119.950 -0.103 0.000 2.410 301 F HA 0.536 5.026 4.527 -0.062 0.000 0.348 301 F C 0.645 176.462 175.800 0.028 0.000 1.106 301 F CA -0.418 57.628 58.000 0.077 0.000 1.163 301 F CB 0.776 39.788 39.000 0.019 0.000 1.129 301 F HN 0.722 nan 8.300 nan 0.000 0.516 302 N N 2.655 121.589 118.700 0.390 0.000 2.314 302 N HA 0.241 4.944 4.740 -0.061 0.000 0.294 302 N C -0.528 175.251 175.510 0.449 0.000 1.029 302 N CA -0.360 52.776 53.050 0.143 0.000 0.845 302 N CB 1.053 39.566 38.487 0.044 0.000 1.321 302 N HN 0.281 nan 8.380 nan 0.000 0.481 303 F N 1.345 121.298 119.950 0.005 0.000 2.765 303 F HA 0.185 4.675 4.527 -0.062 0.000 0.302 303 F C 2.218 178.033 175.800 0.025 0.000 1.111 303 F CA -0.252 57.733 58.000 -0.024 0.000 1.359 303 F CB -0.739 38.158 39.000 -0.172 0.000 1.097 303 F HN 0.418 nan 8.300 nan 0.000 0.577 304 S N -0.291 115.585 115.700 0.294 0.000 2.387 304 S HA -0.264 4.170 4.470 -0.061 0.000 0.230 304 S C 1.790 176.469 174.600 0.132 0.000 1.035 304 S CA 1.974 60.285 58.200 0.186 0.000 1.014 304 S CB -0.729 62.535 63.200 0.107 0.000 0.836 304 S HN 0.724 nan 8.310 nan 0.000 0.466 305 H N 0.405 119.452 119.070 -0.038 0.000 2.470 305 H HA 0.099 4.618 4.556 -0.062 0.000 0.289 305 H C 2.005 177.368 175.328 0.057 0.000 1.033 305 H CA 1.363 57.366 56.048 -0.075 0.000 1.331 305 H CB -0.571 29.028 29.762 -0.273 0.000 1.414 305 H HN 0.434 nan 8.280 nan 0.000 0.545 306 T N -2.793 111.505 114.554 -0.427 0.000 3.081 306 T HA 0.011 4.324 4.350 -0.061 0.000 0.250 306 T C 0.967 175.582 174.700 -0.141 0.000 1.100 306 T CA 0.280 62.229 62.100 -0.253 0.000 1.038 306 T CB 0.161 68.762 68.868 -0.444 0.000 0.962 306 T HN 0.233 nan 8.240 nan 0.000 0.516 307 D N 2.040 122.392 120.400 -0.079 0.000 2.333 307 D HA 0.094 4.697 4.640 -0.061 0.000 0.208 307 D C 1.083 177.304 176.300 -0.131 0.000 0.984 307 D CA 0.168 54.130 54.000 -0.065 0.000 0.873 307 D CB 0.170 41.000 40.800 0.049 0.000 0.935 307 D HN 0.509 nan 8.370 nan 0.000 0.521 308 V N -1.141 118.670 119.914 -0.172 0.000 2.694 308 V HA 0.400 4.484 4.120 -0.061 0.000 0.306 308 V C 1.465 177.199 176.094 -0.599 0.000 1.054 308 V CA 0.302 62.370 62.300 -0.387 0.000 1.161 308 V CB 0.407 31.897 31.823 -0.554 0.000 0.916 308 V HN 0.378 nan 8.190 nan 0.000 0.490 309 G N 2.494 111.060 108.800 -0.389 0.000 2.159 309 G HA2 -0.149 3.774 3.960 -0.061 0.000 0.256 309 G HA3 -0.149 3.774 3.960 -0.061 0.000 0.256 309 G C 0.311 175.159 174.900 -0.088 0.000 0.977 309 G CA 0.622 45.667 45.100 -0.092 0.000 0.652 309 G HN 2.197 nan 8.290 nan 0.000 0.531 310 T N -2.262 112.215 114.554 -0.128 0.000 2.893 310 T HA 0.720 5.033 4.350 -0.061 0.000 0.291 310 T C 0.076 174.727 174.700 -0.083 0.000 1.028 310 T CA 0.435 62.453 62.100 -0.136 0.000 0.995 310 T CB 2.021 70.760 68.868 -0.215 0.000 1.051 310 T HN 1.194 nan 8.240 nan 0.000 0.470 311 S N 2.865 118.527 115.700 -0.064 0.000 2.549 311 S HA 0.266 4.699 4.470 -0.061 0.000 0.283 311 S C -1.011 173.581 174.600 -0.014 0.000 1.320 311 S CA -1.383 56.808 58.200 -0.015 0.000 1.058 311 S CB 0.310 63.529 63.200 0.031 0.000 0.882 311 S HN 0.671 nan 8.310 nan 0.000 0.498 312 P HA -0.082 nan 4.420 nan 0.000 0.219 312 P C 1.281 178.571 177.300 -0.016 0.000 1.146 312 P CA 1.024 64.101 63.100 -0.038 0.000 0.808 312 P CB 0.026 31.692 31.700 -0.056 0.000 0.779 313 L N -2.779 118.461 121.223 0.027 0.000 2.240 313 L HA 0.141 4.444 4.340 -0.061 0.000 0.211 313 L C 1.102 178.080 176.870 0.180 0.000 1.106 313 L CA 0.601 55.475 54.840 0.058 0.000 0.793 313 L CB -0.037 42.054 42.059 0.054 0.000 0.927 313 L HN -0.058 nan 8.230 nan 0.000 0.446 314 F N -1.049 118.893 119.950 -0.013 0.000 2.749 314 F HA 0.172 4.662 4.527 -0.062 0.000 0.339 314 F C 0.840 176.642 175.800 0.003 0.000 1.211 314 F CA -0.995 57.023 58.000 0.030 0.000 1.099 314 F CB 0.829 39.875 39.000 0.077 0.000 1.359 314 F HN -0.303 nan 8.300 nan 0.000 0.549 315 R N 3.124 123.530 120.500 -0.157 0.000 2.127 315 R HA -0.124 4.179 4.340 -0.061 0.000 0.238 315 R C 0.066 175.855 176.300 -0.852 0.000 1.134 315 R CA 1.875 57.694 56.100 -0.467 0.000 0.975 315 R CB -0.103 29.914 30.300 -0.471 0.000 0.865 315 R HN 0.713 nan 8.270 nan 0.000 0.447 316 Y N 0.164 119.876 120.300 -0.981 0.000 2.718 316 Y HA 0.286 4.799 4.550 -0.062 0.000 0.322 316 Y C -0.631 174.910 175.900 -0.598 0.000 1.122 316 Y CA -0.675 56.941 58.100 -0.807 0.000 1.348 316 Y CB 0.248 38.321 38.460 -0.645 0.000 1.174 316 Y HN -0.042 nan 8.280 nan 0.000 0.523 317 N N 1.018 119.515 118.700 -0.339 0.000 2.448 317 N HA 0.348 5.051 4.740 -0.061 0.000 0.279 317 N C -1.029 174.432 175.510 -0.082 0.000 1.025 317 N CA -0.432 52.576 53.050 -0.070 0.000 0.898 317 N CB 1.477 40.014 38.487 0.085 0.000 1.303 317 N HN 0.149 nan 8.380 nan 0.000 0.495 318 L N 1.432 122.621 121.223 -0.057 0.000 2.417 318 L HA 0.561 4.864 4.340 -0.061 0.000 0.268 318 L C 0.393 177.259 176.870 -0.006 0.000 1.158 318 L CA -0.773 54.039 54.840 -0.046 0.000 0.819 318 L CB 0.656 42.692 42.059 -0.038 0.000 1.112 318 L HN 0.238 nan 8.230 nan 0.000 0.458 319 V N 0.317 120.241 119.914 0.016 0.000 3.007 319 V HA 0.642 4.725 4.120 -0.061 0.000 0.311 319 V C -2.659 173.497 176.094 0.102 0.000 1.120 319 V CA -2.287 60.038 62.300 0.043 0.000 0.980 319 V CB 1.548 33.391 31.823 0.034 0.000 1.033 319 V HN 0.525 nan 8.190 nan 0.000 0.429 320 P HA 0.520 nan 4.420 nan 0.000 0.272 320 P C -1.019 176.406 177.300 0.208 0.000 1.223 320 P CA 0.087 63.241 63.100 0.091 0.000 0.784 320 P CB 0.214 31.925 31.700 0.018 0.000 0.923 321 F N -1.515 118.427 119.950 -0.012 0.000 2.662 321 F HA 0.705 5.196 4.527 -0.061 0.000 0.312 321 F C -0.636 175.165 175.800 0.003 0.000 1.113 321 F CA -1.233 56.768 58.000 0.002 0.000 0.951 321 F CB 1.598 40.612 39.000 0.022 0.000 1.344 321 F HN 0.383 nan 8.300 nan 0.000 0.462 322 E N 1.615 121.833 120.200 0.030 0.000 2.299 322 E HA 0.398 4.712 4.350 -0.061 0.000 0.260 322 E C -0.046 176.600 176.600 0.077 0.000 0.944 322 E CA -0.940 55.415 56.400 -0.075 0.000 0.815 322 E CB 2.270 31.945 29.700 -0.042 0.000 1.252 322 E HN 0.750 nan 8.360 nan 0.000 0.418 323 L N 1.639 122.875 121.223 0.021 0.000 2.043 323 L HA -0.193 4.110 4.340 -0.061 0.000 0.212 323 L C 2.450 179.353 176.870 0.055 0.000 1.075 323 L CA 2.285 57.185 54.840 0.101 0.000 0.752 323 L CB -0.596 41.501 42.059 0.063 0.000 0.891 323 L HN 0.839 nan 8.230 nan 0.000 0.432 324 K N -0.769 119.605 120.400 -0.043 0.000 2.113 324 K HA -0.238 4.045 4.320 -0.061 0.000 0.208 324 K C 1.693 178.234 176.600 -0.099 0.000 1.047 324 K CA 1.919 58.114 56.287 -0.153 0.000 0.928 324 K CB -0.248 32.167 32.500 -0.141 0.000 0.716 324 K HN 0.437 nan 8.250 nan 0.000 0.446 325 D N -0.179 120.250 120.400 0.048 0.000 2.123 325 D HA -0.201 4.402 4.640 -0.061 0.000 0.196 325 D C 1.543 177.908 176.300 0.108 0.000 0.992 325 D CA 1.077 55.129 54.000 0.087 0.000 0.833 325 D CB -0.362 40.555 40.800 0.195 0.000 0.954 325 D HN 0.431 nan 8.370 nan 0.000 0.455 326 W N 2.185 123.469 121.300 -0.027 0.000 2.418 326 W HA -0.051 4.572 4.660 -0.062 0.000 0.292 326 W C 2.138 178.562 176.519 -0.159 0.000 1.213 326 W CA 0.974 58.257 57.345 -0.103 0.000 1.283 326 W CB -0.038 29.394 29.460 -0.046 0.000 1.119 326 W HN -0.142 nan 8.180 nan 0.000 0.542 327 K N -0.010 120.223 120.400 -0.279 0.000 2.020 327 K HA -0.224 4.059 4.320 -0.061 0.000 0.212 327 K C 1.952 178.399 176.600 -0.255 0.000 1.050 327 K CA 2.304 58.255 56.287 -0.561 0.000 0.929 327 K CB -0.786 31.168 32.500 -0.909 0.000 0.714 327 K HN 0.207 nan 8.250 nan 0.000 0.443 328 I N 0.969 121.375 120.570 -0.273 0.000 2.226 328 I HA -0.278 3.855 4.170 -0.061 0.000 0.245 328 I C 2.545 178.572 176.117 -0.149 0.000 1.100 328 I CA 1.115 62.323 61.300 -0.154 0.000 1.374 328 I CB -0.392 37.518 38.000 -0.150 0.000 1.057 328 I HN 0.191 nan 8.210 nan 0.000 0.413 329 A N 0.788 123.516 122.820 -0.152 0.000 1.898 329 A HA -0.136 4.147 4.320 -0.061 0.000 0.216 329 A C 2.302 179.735 177.584 -0.251 0.000 1.181 329 A CA 1.287 53.246 52.037 -0.130 0.000 0.620 329 A CB -0.750 18.231 19.000 -0.032 0.000 0.819 329 A HN 0.359 nan 8.150 nan 0.000 0.442 330 L N -0.776 120.211 121.223 -0.393 0.000 2.017 330 L HA -0.187 4.116 4.340 -0.061 0.000 0.208 330 L C 3.045 179.526 176.870 -0.648 0.000 1.073 330 L CA 1.096 55.617 54.840 -0.531 0.000 0.745 330 L CB -0.448 41.291 42.059 -0.534 0.000 0.894 330 L HN 0.428 nan 8.230 nan 0.000 0.432 331 A N -0.688 121.739 122.820 -0.655 0.000 2.070 331 A HA -0.245 4.039 4.320 -0.061 0.000 0.220 331 A C 2.200 179.148 177.584 -1.061 0.000 1.159 331 A CA 1.539 52.808 52.037 -1.280 0.000 0.656 331 A CB -0.501 18.143 19.000 -0.593 0.000 0.800 331 A HN 0.488 nan 8.150 nan 0.000 0.453 332 E N -0.085 119.783 120.200 -0.552 0.000 2.204 332 E HA -0.164 4.149 4.350 -0.061 0.000 0.195 332 E C 1.696 178.122 176.600 -0.290 0.000 0.990 332 E CA 0.807 57.009 56.400 -0.330 0.000 0.821 332 E CB -0.211 29.377 29.700 -0.187 0.000 0.750 332 E HN 0.695 nan 8.360 nan 0.000 0.477 333 L N -0.212 120.763 121.223 -0.414 0.000 2.131 333 L HA -0.159 4.144 4.340 -0.061 0.000 0.210 333 L C 1.918 178.763 176.870 -0.042 0.000 1.092 333 L CA 1.317 56.047 54.840 -0.183 0.000 0.759 333 L CB -0.221 41.727 42.059 -0.185 0.000 0.903 333 L HN 0.338 nan 8.230 nan 0.000 0.435 334 F N -3.871 115.972 119.950 -0.178 0.000 2.856 334 F HA 0.299 4.789 4.527 -0.062 0.000 0.338 334 F C 2.108 177.729 175.800 -0.299 0.000 1.005 334 F CA -0.611 57.199 58.000 -0.317 0.000 1.155 334 F CB -0.414 38.324 39.000 -0.436 0.000 1.010 334 F HN -0.338 nan 8.300 nan 0.000 0.587 335 R N 0.804 121.102 120.500 -0.338 0.000 2.120 335 R HA -0.157 4.146 4.340 -0.061 0.000 0.234 335 R C 2.019 178.315 176.300 -0.005 0.000 1.123 335 R CA 2.030 58.068 56.100 -0.104 0.000 0.975 335 R CB -0.874 29.331 30.300 -0.158 0.000 0.866 335 R HN 0.660 nan 8.270 nan 0.000 0.446 336 Y N 0.510 120.763 120.300 -0.078 0.000 2.483 336 Y HA -0.073 4.440 4.550 -0.062 0.000 0.291 336 Y C 1.816 177.724 175.900 0.012 0.000 1.143 336 Y CA 0.770 58.851 58.100 -0.031 0.000 1.289 336 Y CB -0.555 37.877 38.460 -0.047 0.000 0.983 336 Y HN 0.086 nan 8.280 nan 0.000 0.556 337 I N -0.989 119.216 120.570 -0.608 0.000 3.251 337 I HA 0.060 4.193 4.170 -0.061 0.000 0.277 337 I C 0.449 176.511 176.117 -0.091 0.000 1.268 337 I CA 0.111 61.139 61.300 -0.452 0.000 1.449 337 I CB -0.491 37.207 38.000 -0.504 0.000 1.083 337 I HN 0.070 nan 8.210 nan 0.000 0.464 338 N N 2.856 121.555 118.700 -0.002 0.000 2.411 338 N HA 0.160 4.863 4.740 -0.061 0.000 0.265 338 N C 1.053 176.597 175.510 0.057 0.000 1.266 338 N CA 1.430 54.561 53.050 0.135 0.000 0.889 338 N CB 0.235 38.833 38.487 0.185 0.000 1.069 338 N HN 0.560 nan 8.380 nan 0.000 0.476 339 G N 1.836 110.637 108.800 0.001 0.000 2.221 339 G HA2 -0.244 3.679 3.960 -0.061 0.000 0.265 339 G HA3 -0.244 3.679 3.960 -0.061 0.000 0.265 339 G C 0.169 174.999 174.900 -0.116 0.000 1.041 339 G CA 0.768 45.712 45.100 -0.260 0.000 0.807 339 G HN 0.980 nan 8.290 nan 0.000 0.502 340 T N -3.749 110.786 114.554 -0.030 0.000 2.804 340 T HA 0.610 4.923 4.350 -0.061 0.000 0.290 340 T C 0.228 174.952 174.700 0.041 0.000 1.099 340 T CA 0.319 62.419 62.100 0.000 0.000 1.011 340 T CB 1.989 70.868 68.868 0.017 0.000 1.291 340 T HN 0.312 nan 8.240 nan 0.000 0.523 341 D N -0.523 119.908 120.400 0.052 0.000 2.491 341 D HA 0.224 4.827 4.640 -0.061 0.000 0.228 341 D C 0.284 176.667 176.300 0.138 0.000 1.183 341 D CA -0.392 53.658 54.000 0.084 0.000 0.827 341 D CB -1.204 39.624 40.800 0.048 0.000 0.989 341 D HN 0.512 nan 8.370 nan 0.000 0.494 342 C N -0.098 119.286 119.300 0.140 0.000 2.396 342 C HA 0.624 5.047 4.460 -0.061 0.000 0.359 342 C C 0.097 175.277 174.990 0.317 0.000 1.307 342 C CA -0.758 58.368 59.018 0.180 0.000 2.392 342 C CB 0.839 28.622 27.740 0.072 0.000 2.245 342 C HN 0.507 nan 8.230 nan 0.000 0.615 343 W N -0.142 121.199 121.300 0.069 0.000 3.118 343 W HA 0.555 5.178 4.660 -0.062 0.000 0.328 343 W C -0.704 175.874 176.519 0.098 0.000 1.239 343 W CA -0.405 57.001 57.345 0.101 0.000 1.176 343 W CB 2.111 31.741 29.460 0.284 0.000 1.433 343 W HN 0.807 nan 8.180 nan 0.000 0.562 344 S N 0.760 115.994 115.700 -0.777 0.000 2.638 344 S HA 0.773 5.206 4.470 -0.061 0.000 0.302 344 S C -0.364 174.087 174.600 -0.248 0.000 1.096 344 S CA -0.482 57.471 58.200 -0.412 0.000 0.953 344 S CB 1.982 64.918 63.200 -0.440 0.000 1.107 344 S HN 0.453 nan 8.310 nan 0.000 0.503 345 T N -0.790 113.792 114.554 0.047 0.000 2.940 345 T HA 0.756 5.070 4.350 -0.061 0.000 0.288 345 T C -0.639 174.241 174.700 0.301 0.000 1.033 345 T CA -0.854 61.421 62.100 0.292 0.000 1.033 345 T CB 0.766 69.899 68.868 0.442 0.000 1.079 345 T HN 0.582 nan 8.240 nan 0.000 0.496 346 I N 3.251 124.081 120.570 0.432 0.000 2.478 346 I HA 0.518 4.652 4.170 -0.061 0.000 0.287 346 I C -1.188 175.249 176.117 0.534 0.000 1.042 346 I CA -0.828 60.659 61.300 0.312 0.000 1.067 346 I CB 1.320 39.419 38.000 0.166 0.000 1.233 346 I HN 1.034 nan 8.210 nan 0.000 0.431 347 Y N 4.847 125.314 120.300 0.278 0.000 2.662 347 Y HA 0.576 5.090 4.550 -0.060 0.000 0.334 347 Y C -0.992 175.117 175.900 0.347 0.000 1.185 347 Y CA -1.049 57.244 58.100 0.321 0.000 1.074 347 Y CB 1.177 39.779 38.460 0.238 0.000 1.330 347 Y HN 0.291 nan 8.280 nan 0.000 0.458 348 L N 0.681 122.119 121.223 0.358 0.000 2.878 348 L HA 0.455 4.758 4.340 -0.061 0.000 0.253 348 L C -0.253 176.802 176.870 0.308 0.000 1.135 348 L CA 0.238 55.267 54.840 0.314 0.000 0.943 348 L CB 0.874 43.197 42.059 0.440 0.000 1.307 348 L HN 0.703 nan 8.230 nan 0.000 0.545 349 E N 0.843 121.239 120.200 0.327 0.000 2.343 349 E HA 0.457 4.771 4.350 -0.061 0.000 0.270 349 E C -1.312 175.242 176.600 -0.077 0.000 0.895 349 E CA -0.571 55.891 56.400 0.102 0.000 0.767 349 E CB 2.267 32.054 29.700 0.144 0.000 1.248 349 E HN 0.137 nan 8.360 nan 0.000 0.440 350 N N -0.984 117.406 118.700 -0.517 0.000 3.308 350 N HA 0.025 4.728 4.740 -0.061 0.000 0.276 350 N C 0.126 174.883 175.510 -1.255 0.000 1.533 350 N CA -0.646 51.903 53.050 -0.835 0.000 0.878 350 N CB 0.018 38.228 38.487 -0.462 0.000 1.566 350 N HN 0.539 nan 8.380 nan 0.000 0.546 351 H N -1.893 116.589 119.070 -0.980 0.000 2.556 351 H HA 0.214 4.734 4.556 -0.059 0.000 0.268 351 H C -0.744 174.322 175.328 -0.437 0.000 0.996 351 H CA 0.650 56.267 56.048 -0.717 0.000 1.157 351 H CB -0.178 29.359 29.762 -0.374 0.000 1.355 351 H HN 0.524 nan 8.280 nan 0.000 0.597 352 D N 0.599 120.438 120.400 -0.935 0.000 2.395 352 D HA 0.103 4.707 4.640 -0.061 0.000 0.213 352 D C 0.125 176.177 176.300 -0.414 0.000 1.110 352 D CA 0.158 53.779 54.000 -0.633 0.000 0.835 352 D CB 0.836 41.239 40.800 -0.661 0.000 0.965 352 D HN 0.298 nan 8.370 nan 0.000 0.505 353 Q N 0.758 120.311 119.800 -0.411 0.000 2.413 353 Q HA 0.391 4.694 4.340 -0.061 0.000 0.276 353 Q C -2.441 173.422 176.000 -0.228 0.000 1.099 353 Q CA -1.861 53.762 55.803 -0.300 0.000 0.814 353 Q CB 2.827 31.398 28.738 -0.278 0.000 1.379 353 Q HN -0.008 nan 8.270 nan 0.000 0.436 354 P HA 0.164 nan 4.420 nan 0.000 0.277 354 P C -0.406 176.769 177.300 -0.208 0.000 1.276 354 P CA -0.458 62.508 63.100 -0.223 0.000 0.788 354 P CB 0.783 32.268 31.700 -0.359 0.000 1.114 355 R N 0.320 120.686 120.500 -0.222 0.000 2.438 355 R HA 0.119 4.422 4.340 -0.061 0.000 0.287 355 R C 1.737 177.950 176.300 -0.145 0.000 1.077 355 R CA 0.070 56.095 56.100 -0.126 0.000 1.034 355 R CB -0.147 30.089 30.300 -0.106 0.000 0.993 355 R HN 0.587 nan 8.270 nan 0.000 0.459 356 S N 2.304 118.012 115.700 0.014 0.000 2.399 356 S HA -0.112 4.321 4.470 -0.061 0.000 0.231 356 S C 1.940 176.575 174.600 0.058 0.000 1.022 356 S CA 0.756 59.033 58.200 0.127 0.000 0.983 356 S CB -0.264 63.175 63.200 0.398 0.000 0.803 356 S HN 0.613 nan 8.310 nan 0.000 0.480 357 I N 1.914 122.502 120.570 0.030 0.000 2.226 357 I HA -0.166 3.967 4.170 -0.061 0.000 0.245 357 I C 2.760 178.790 176.117 -0.145 0.000 1.100 357 I CA 1.549 62.830 61.300 -0.032 0.000 1.374 357 I CB -0.982 36.991 38.000 -0.045 0.000 1.057 357 I HN 0.328 nan 8.210 nan 0.000 0.413 358 T N 0.476 114.909 114.554 -0.203 0.000 2.708 358 T HA -0.133 4.180 4.350 -0.061 0.000 0.266 358 T C 2.076 176.574 174.700 -0.336 0.000 1.037 358 T CA 1.121 63.061 62.100 -0.267 0.000 1.146 358 T CB -0.137 68.536 68.868 -0.326 0.000 0.865 358 T HN 0.222 nan 8.240 nan 0.000 0.435 359 R N -0.035 120.155 120.500 -0.516 0.000 2.073 359 R HA 0.084 4.387 4.340 -0.061 0.000 0.229 359 R C 1.442 177.257 176.300 -0.809 0.000 1.120 359 R CA 1.131 56.704 56.100 -0.878 0.000 0.967 359 R CB -0.320 29.012 30.300 -1.613 0.000 0.862 359 R HN 0.447 nan 8.270 nan 0.000 0.436 360 F N -1.706 118.143 119.950 -0.169 0.000 2.798 360 F HA 0.368 4.858 4.527 -0.062 0.000 0.328 360 F C 1.301 177.104 175.800 0.004 0.000 1.098 360 F CA -0.226 57.587 58.000 -0.313 0.000 1.172 360 F CB 0.195 38.772 39.000 -0.705 0.000 1.072 360 F HN -0.027 nan 8.300 nan 0.000 0.555 361 G N -0.885 107.987 108.800 0.120 0.000 3.247 361 G HA2 0.404 4.327 3.960 -0.061 0.000 0.163 361 G HA3 0.404 4.327 3.960 -0.061 0.000 0.163 361 G C -1.533 173.215 174.900 -0.252 0.000 1.206 361 G CA -0.079 45.003 45.100 -0.031 0.000 0.918 361 G HN -0.048 nan 8.290 nan 0.000 0.625 362 D N -0.345 119.718 120.400 -0.561 0.000 2.602 362 D HA 0.234 4.837 4.640 -0.061 0.000 0.245 362 D C -0.481 175.620 176.300 -0.333 0.000 1.325 362 D CA -0.550 53.218 54.000 -0.388 0.000 0.952 362 D CB 1.593 42.146 40.800 -0.412 0.000 1.317 362 D HN 0.268 nan 8.370 nan 0.000 0.577 363 D N 1.399 121.670 120.400 -0.215 0.000 2.336 363 D HA -0.010 4.593 4.640 -0.061 0.000 0.229 363 D C 0.295 176.509 176.300 -0.143 0.000 1.061 363 D CA -0.211 53.683 54.000 -0.176 0.000 0.875 363 D CB -0.229 40.477 40.800 -0.156 0.000 0.904 363 D HN 0.185 nan 8.370 nan 0.000 0.525 364 S N -0.279 115.337 115.700 -0.140 0.000 2.566 364 S HA 0.101 4.535 4.470 -0.061 0.000 0.280 364 S C -1.469 173.070 174.600 -0.102 0.000 1.343 364 S CA -0.853 57.287 58.200 -0.100 0.000 1.036 364 S CB 1.209 64.363 63.200 -0.077 0.000 0.866 364 S HN -0.152 nan 8.310 nan 0.000 0.526 365 P HA -0.166 nan 4.420 nan 0.000 0.217 365 P C 1.441 178.694 177.300 -0.077 0.000 1.151 365 P CA 1.469 64.526 63.100 -0.070 0.000 0.849 365 P CB 0.051 31.719 31.700 -0.052 0.000 0.787 366 K N -0.900 119.458 120.400 -0.069 0.000 2.057 366 K HA -0.115 4.168 4.320 -0.061 0.000 0.207 366 K C 1.171 177.708 176.600 -0.104 0.000 1.049 366 K CA 1.474 57.724 56.287 -0.063 0.000 0.931 366 K CB -0.162 32.322 32.500 -0.028 0.000 0.714 366 K HN 0.050 nan 8.250 nan 0.000 0.440 367 N N 0.178 118.779 118.700 -0.166 0.000 2.184 367 N HA 0.001 4.704 4.740 -0.061 0.000 0.206 367 N C 1.217 176.497 175.510 -0.383 0.000 1.151 367 N CA 0.155 53.014 53.050 -0.319 0.000 0.878 367 N CB 0.377 38.580 38.487 -0.473 0.000 1.014 367 N HN 0.338 nan 8.380 nan 0.000 0.512 368 R N 0.227 120.576 120.500 -0.253 0.000 2.096 368 R HA 0.039 4.342 4.340 -0.061 0.000 0.235 368 R C 1.366 177.554 176.300 -0.186 0.000 1.127 368 R CA 1.062 57.031 56.100 -0.218 0.000 0.968 368 R CB -0.669 29.546 30.300 -0.141 0.000 0.861 368 R HN -0.131 nan 8.270 nan 0.000 0.440 369 V N 1.400 121.213 119.914 -0.169 0.000 2.283 369 V HA -0.178 3.905 4.120 -0.061 0.000 0.243 369 V C 2.321 178.282 176.094 -0.221 0.000 1.039 369 V CA 1.513 63.724 62.300 -0.149 0.000 1.016 369 V CB -0.437 31.312 31.823 -0.124 0.000 0.650 369 V HN 0.232 nan 8.190 nan 0.000 0.449 370 I N 1.001 121.417 120.570 -0.257 0.000 2.286 370 I HA -0.202 3.931 4.170 -0.061 0.000 0.248 370 I C 2.646 178.607 176.117 -0.260 0.000 1.115 370 I CA 2.010 63.147 61.300 -0.271 0.000 1.392 370 I CB -0.300 37.586 38.000 -0.190 0.000 1.065 370 I HN 0.440 nan 8.210 nan 0.000 0.418 371 S N -0.310 115.163 115.700 -0.378 0.000 2.406 371 S HA -0.002 4.431 4.470 -0.061 0.000 0.228 371 S C 2.267 176.766 174.600 -0.168 0.000 1.020 371 S CA 0.629 58.590 58.200 -0.397 0.000 0.965 371 S CB -1.417 61.200 63.200 -0.973 0.000 0.798 371 S HN 0.462 nan 8.310 nan 0.000 0.488 372 G N 2.050 110.767 108.800 -0.138 0.000 2.440 372 G HA2 -0.168 3.755 3.960 -0.061 0.000 0.218 372 G HA3 -0.168 3.755 3.960 -0.061 0.000 0.218 372 G C 1.553 176.442 174.900 -0.020 0.000 1.154 372 G CA 0.835 45.944 45.100 0.014 0.000 0.767 372 G HN 0.589 nan 8.290 nan 0.000 0.552 373 K N -0.454 119.799 120.400 -0.245 0.000 2.057 373 K HA 0.030 4.313 4.320 -0.061 0.000 0.206 373 K C 2.356 178.736 176.600 -0.367 0.000 1.050 373 K CA 0.799 56.736 56.287 -0.582 0.000 0.935 373 K CB -0.309 31.468 32.500 -1.205 0.000 0.715 373 K HN 0.244 nan 8.250 nan 0.000 0.439 374 L N 1.686 122.769 121.223 -0.234 0.000 2.042 374 L HA -0.179 4.124 4.340 -0.061 0.000 0.210 374 L C 1.906 178.798 176.870 0.035 0.000 1.076 374 L CA 1.582 56.340 54.840 -0.138 0.000 0.749 374 L CB -0.367 41.588 42.059 -0.174 0.000 0.893 374 L HN 0.136 nan 8.230 nan 0.000 0.432 375 L N -1.507 119.820 121.223 0.172 0.000 2.083 375 L HA -0.201 4.102 4.340 -0.061 0.000 0.209 375 L C 2.691 179.714 176.870 0.255 0.000 1.083 375 L CA 1.426 56.494 54.840 0.379 0.000 0.752 375 L CB -0.748 41.594 42.059 0.473 0.000 0.899 375 L HN 0.354 nan 8.230 nan 0.000 0.433 376 S N -0.400 115.317 115.700 0.028 0.000 2.368 376 S HA -0.146 4.288 4.470 -0.061 0.000 0.225 376 S C 2.000 176.557 174.600 -0.072 0.000 1.030 376 S CA 1.270 59.215 58.200 -0.425 0.000 0.999 376 S CB -0.124 62.519 63.200 -0.929 0.000 0.844 376 S HN 0.179 nan 8.310 nan 0.000 0.459 377 V N 2.270 122.263 119.914 0.132 0.000 2.287 377 V HA -0.155 3.928 4.120 -0.061 0.000 0.248 377 V C 2.441 178.637 176.094 0.169 0.000 1.053 377 V CA 1.929 64.352 62.300 0.204 0.000 1.027 377 V CB -0.854 30.994 31.823 0.042 0.000 0.646 377 V HN 0.541 nan 8.190 nan 0.000 0.447 378 L N -0.072 121.243 121.223 0.153 0.000 1.970 378 L HA -0.175 4.128 4.340 -0.061 0.000 0.212 378 L C 2.226 179.195 176.870 0.165 0.000 1.071 378 L CA 2.038 56.974 54.840 0.159 0.000 0.751 378 L CB -0.624 41.555 42.059 0.200 0.000 0.889 378 L HN 0.214 nan 8.230 nan 0.000 0.432 379 L N -0.367 120.976 121.223 0.199 0.000 2.131 379 L HA -0.167 4.136 4.340 -0.061 0.000 0.210 379 L C 2.728 179.718 176.870 0.199 0.000 1.092 379 L CA 1.309 56.284 54.840 0.224 0.000 0.759 379 L CB -0.941 41.361 42.059 0.405 0.000 0.903 379 L HN 0.580 nan 8.230 nan 0.000 0.435 380 S N 0.352 116.165 115.700 0.188 0.000 2.419 380 S HA -0.171 4.263 4.470 -0.061 0.000 0.235 380 S C 1.861 176.571 174.600 0.184 0.000 1.019 380 S CA 1.040 59.355 58.200 0.192 0.000 0.982 380 S CB -0.240 63.093 63.200 0.222 0.000 0.789 380 S HN 0.374 nan 8.310 nan 0.000 0.490 381 A N 0.297 123.241 122.820 0.207 0.000 2.267 381 A HA 0.561 4.844 4.320 -0.061 0.000 0.213 381 A C 0.685 178.312 177.584 0.073 0.000 1.192 381 A CA -0.372 51.791 52.037 0.211 0.000 0.851 381 A CB -0.110 19.093 19.000 0.338 0.000 0.881 381 A HN 0.521 nan 8.150 nan 0.000 0.494 382 L N 0.676 121.868 121.223 -0.051 0.000 2.334 382 L HA 0.304 4.607 4.340 -0.061 0.000 0.277 382 L C 0.059 176.721 176.870 -0.347 0.000 1.075 382 L CA -0.581 54.060 54.840 -0.331 0.000 0.804 382 L CB 1.505 43.314 42.059 -0.416 0.000 1.174 382 L HN -0.028 nan 8.230 nan 0.000 0.438 383 T N 1.963 116.176 114.554 -0.569 0.000 2.870 383 T HA 0.518 4.831 4.350 -0.061 0.000 0.300 383 T C 0.386 174.774 174.700 -0.519 0.000 0.989 383 T CA 0.382 62.207 62.100 -0.458 0.000 1.139 383 T CB 0.983 69.574 68.868 -0.462 0.000 0.920 383 T HN 0.947 nan 8.240 nan 0.000 0.537 384 G N 2.074 110.600 108.800 -0.457 0.000 2.353 384 G HA2 0.107 4.031 3.960 -0.061 0.000 0.424 384 G HA3 0.107 4.031 3.960 -0.061 0.000 0.424 384 G C -0.629 174.359 174.900 0.147 0.000 1.320 384 G CA -1.146 43.658 45.100 -0.494 0.000 0.995 384 G HN 0.650 nan 8.290 nan 0.000 0.580 385 T N 1.075 115.862 114.554 0.388 0.000 2.752 385 T HA 0.412 4.726 4.350 -0.061 0.000 0.295 385 T C 0.418 175.349 174.700 0.384 0.000 0.923 385 T CA 0.109 62.485 62.100 0.459 0.000 1.112 385 T CB 0.904 70.095 68.868 0.539 0.000 0.884 385 T HN 0.810 nan 8.240 nan 0.000 0.525 386 L N 5.448 126.846 121.223 0.292 0.000 2.331 386 L HA 0.443 4.746 4.340 -0.061 0.000 0.278 386 L C -1.273 175.763 176.870 0.275 0.000 1.106 386 L CA -0.347 54.697 54.840 0.341 0.000 0.824 386 L CB 0.001 42.235 42.059 0.291 0.000 1.142 386 L HN 0.518 nan 8.230 nan 0.000 0.443 387 Y N 3.811 124.371 120.300 0.433 0.000 2.393 387 Y HA 0.633 5.145 4.550 -0.063 0.000 0.341 387 Y C -0.279 175.807 175.900 0.310 0.000 0.988 387 Y CA -0.795 57.560 58.100 0.424 0.000 1.078 387 Y CB 2.051 40.767 38.460 0.427 0.000 1.203 387 Y HN 0.291 nan 8.280 nan 0.000 0.453 388 V N 4.049 124.152 119.914 0.316 0.000 2.495 388 V HA 0.256 4.340 4.120 -0.061 0.000 0.298 388 V C -1.089 174.974 176.094 -0.052 0.000 1.031 388 V CA -1.161 61.179 62.300 0.066 0.000 0.871 388 V CB 1.409 33.172 31.823 -0.100 0.000 0.988 388 V HN 0.626 nan 8.190 nan 0.000 0.432 389 Y N 4.309 124.492 120.300 -0.196 0.000 2.334 389 Y HA 0.428 4.942 4.550 -0.060 0.000 0.328 389 Y C 0.743 176.399 175.900 -0.406 0.000 1.130 389 Y CA -1.110 56.804 58.100 -0.310 0.000 1.163 389 Y CB 1.314 39.682 38.460 -0.153 0.000 1.207 389 Y HN 0.808 nan 8.280 nan 0.000 0.471 390 Q N 4.006 122.983 119.800 -1.371 0.000 2.320 390 Q HA 0.262 4.565 4.340 -0.061 0.000 0.311 390 Q C 0.841 176.579 176.000 -0.438 0.000 1.083 390 Q CA 0.920 56.255 55.803 -0.781 0.000 1.001 390 Q CB -0.086 28.368 28.738 -0.473 0.000 1.074 390 Q HN 1.129 nan 8.270 nan 0.000 0.379 391 G N 2.063 110.790 108.800 -0.122 0.000 2.258 391 G HA2 -0.414 3.510 3.960 -0.061 0.000 0.233 391 G HA3 -0.414 3.510 3.960 -0.061 0.000 0.233 391 G C 0.786 175.681 174.900 -0.008 0.000 1.006 391 G CA 0.376 45.439 45.100 -0.061 0.000 0.620 391 G HN 0.704 nan 8.290 nan 0.000 0.511 392 Q N 0.706 120.491 119.800 -0.026 0.000 2.135 392 Q HA -0.167 4.136 4.340 -0.061 0.000 0.204 392 Q C 2.433 178.387 176.000 -0.077 0.000 0.981 392 Q CA 2.098 57.902 55.803 0.002 0.000 0.856 392 Q CB -0.202 28.525 28.738 -0.018 0.000 0.902 392 Q HN 0.742 nan 8.270 nan 0.000 0.425 393 E N 0.260 120.337 120.200 -0.205 0.000 2.418 393 E HA -0.162 4.151 4.350 -0.061 0.000 0.197 393 E C 1.509 178.196 176.600 0.146 0.000 1.026 393 E CA 0.717 56.974 56.400 -0.237 0.000 0.862 393 E CB -0.160 29.455 29.700 -0.142 0.000 0.799 393 E HN 0.511 nan 8.360 nan 0.000 0.518 394 L N 0.142 121.435 121.223 0.117 0.000 2.567 394 L HA 0.239 4.543 4.340 -0.061 0.000 0.225 394 L C 1.224 178.174 176.870 0.133 0.000 1.119 394 L CA 0.314 55.231 54.840 0.127 0.000 0.871 394 L CB -0.177 41.913 42.059 0.052 0.000 1.036 394 L HN 0.295 nan 8.230 nan 0.000 0.459 395 G N 1.119 110.017 108.800 0.164 0.000 2.246 395 G HA2 -0.331 3.592 3.960 -0.061 0.000 0.273 395 G HA3 -0.331 3.592 3.960 -0.061 0.000 0.273 395 G C 0.189 175.129 174.900 0.067 0.000 1.055 395 G CA 0.257 45.439 45.100 0.137 0.000 0.851 395 G HN 0.399 nan 8.290 nan 0.000 0.500 396 Q N 0.070 119.904 119.800 0.057 0.000 2.386 396 Q HA 0.492 4.795 4.340 -0.061 0.000 0.282 396 Q C 0.925 176.926 176.000 0.002 0.000 1.050 396 Q CA 0.558 56.377 55.803 0.027 0.000 0.918 396 Q CB 0.358 29.112 28.738 0.028 0.000 1.266 396 Q HN 1.117 nan 8.270 nan 0.000 0.423 397 I N -0.402 120.152 120.570 -0.027 0.000 3.067 397 I HA 0.593 4.726 4.170 -0.061 0.000 0.312 397 I C -0.436 175.610 176.117 -0.118 0.000 1.073 397 I CA -1.500 59.750 61.300 -0.083 0.000 1.016 397 I CB 1.731 39.678 38.000 -0.090 0.000 1.227 397 I HN 0.384 nan 8.210 nan 0.000 0.456 398 N N 2.074 120.633 118.700 -0.234 0.000 2.374 398 N HA 0.187 4.891 4.740 -0.061 0.000 0.241 398 N C -0.546 174.844 175.510 -0.200 0.000 1.262 398 N CA 0.029 52.864 53.050 -0.359 0.000 0.880 398 N CB 0.135 38.179 38.487 -0.738 0.000 1.105 398 N HN 0.526 nan 8.380 nan 0.000 0.438 399 F N -0.434 119.485 119.950 -0.053 0.000 2.403 399 F HA 0.532 5.022 4.527 -0.062 0.000 0.320 399 F C 0.404 176.084 175.800 -0.199 0.000 1.176 399 F CA -0.438 57.394 58.000 -0.280 0.000 1.206 399 F CB 0.454 38.969 39.000 -0.809 0.000 1.235 399 F HN -0.008 nan 8.300 nan 0.000 0.565 400 K N 0.643 121.160 120.400 0.194 0.000 2.371 400 K HA 0.289 4.573 4.320 -0.061 0.000 0.251 400 K C -0.720 176.062 176.600 0.303 0.000 0.934 400 K CA -0.937 55.453 56.287 0.172 0.000 0.798 400 K CB 1.509 34.062 32.500 0.088 0.000 1.204 400 K HN 0.855 nan 8.250 nan 0.000 0.427 401 N N 0.199 119.053 118.700 0.256 0.000 2.747 401 N HA -0.189 4.514 4.740 -0.061 0.000 0.249 401 N C -1.195 174.510 175.510 0.325 0.000 1.107 401 N CA 0.543 53.735 53.050 0.237 0.000 0.707 401 N CB -0.891 37.679 38.487 0.139 0.000 1.054 401 N HN 0.472 nan 8.380 nan 0.000 0.555 402 W N 1.330 122.674 121.300 0.073 0.000 2.287 402 W HA 0.356 4.978 4.660 -0.064 0.000 0.313 402 W C -1.707 174.871 176.519 0.100 0.000 1.267 402 W CA -1.777 55.541 57.345 -0.044 0.000 1.201 402 W CB -0.255 29.047 29.460 -0.264 0.000 1.196 402 W HN -0.042 nan 8.180 nan 0.000 0.536 403 P HA -0.019 nan 4.420 nan 0.000 0.272 403 P C 0.881 178.360 177.300 0.298 0.000 1.223 403 P CA -0.268 62.935 63.100 0.171 0.000 0.784 403 P CB 0.968 32.684 31.700 0.027 0.000 0.923 404 V N 2.032 122.079 119.914 0.221 0.000 2.469 404 V HA -0.228 3.855 4.120 -0.061 0.000 0.251 404 V C 1.958 178.158 176.094 0.178 0.000 1.064 404 V CA 2.274 64.671 62.300 0.162 0.000 1.066 404 V CB -0.987 30.840 31.823 0.006 0.000 0.667 404 V HN 0.704 nan 8.190 nan 0.000 0.461 405 E N -0.379 119.864 120.200 0.072 0.000 2.338 405 E HA -0.271 4.043 4.350 -0.061 0.000 0.197 405 E C 1.930 178.593 176.600 0.105 0.000 1.007 405 E CA 1.205 57.627 56.400 0.037 0.000 0.849 405 E CB -0.364 29.328 29.700 -0.014 0.000 0.774 405 E HN 0.593 nan 8.360 nan 0.000 0.506 406 K N 0.006 120.476 120.400 0.116 0.000 2.296 406 K HA 0.020 4.303 4.320 -0.061 0.000 0.200 406 K C 0.100 176.905 176.600 0.341 0.000 1.048 406 K CA 0.131 56.423 56.287 0.008 0.000 0.966 406 K CB -0.012 32.150 32.500 -0.564 0.000 0.754 406 K HN 0.131 nan 8.250 nan 0.000 0.466 407 Y N 1.565 122.048 120.300 0.306 0.000 2.511 407 Y HA -0.101 4.412 4.550 -0.061 0.000 0.332 407 Y C 1.469 177.491 175.900 0.204 0.000 1.177 407 Y CA -0.355 57.967 58.100 0.370 0.000 1.422 407 Y CB 0.711 39.306 38.460 0.226 0.000 1.271 407 Y HN 0.160 nan 8.280 nan 0.000 0.550 408 E N -0.558 119.727 120.200 0.142 0.000 2.250 408 E HA -0.051 4.262 4.350 -0.061 0.000 0.192 408 E C -0.067 176.539 176.600 0.011 0.000 0.986 408 E CA 0.278 56.650 56.400 -0.047 0.000 0.849 408 E CB -0.024 29.398 29.700 -0.463 0.000 0.797 408 E HN 0.440 nan 8.360 nan 0.000 0.482 409 D N 0.777 121.185 120.400 0.014 0.000 2.450 409 D HA -0.074 4.529 4.640 -0.061 0.000 0.247 409 D C 1.101 177.381 176.300 -0.034 0.000 1.162 409 D CA 0.025 54.021 54.000 -0.006 0.000 0.879 409 D CB 1.659 42.466 40.800 0.011 0.000 1.163 409 D HN -0.008 nan 8.370 nan 0.000 0.472 410 V N 4.372 124.227 119.914 -0.099 0.000 2.453 410 V HA -0.223 3.860 4.120 -0.061 0.000 0.252 410 V C 1.993 177.930 176.094 -0.262 0.000 1.068 410 V CA 2.508 64.724 62.300 -0.141 0.000 1.070 410 V CB -0.324 31.416 31.823 -0.137 0.000 0.664 410 V HN 0.724 nan 8.190 nan 0.000 0.461 411 E N -0.621 119.293 120.200 -0.476 0.000 2.110 411 E HA -0.201 4.113 4.350 -0.061 0.000 0.193 411 E C 2.121 178.719 176.600 -0.002 0.000 0.988 411 E CA 1.647 57.855 56.400 -0.321 0.000 0.804 411 E CB -0.024 29.551 29.700 -0.210 0.000 0.745 411 E HN 0.600 nan 8.360 nan 0.000 0.458 412 I N 0.879 121.444 120.570 -0.010 0.000 2.233 412 I HA -0.169 3.964 4.170 -0.061 0.000 0.243 412 I C 2.477 178.698 176.117 0.172 0.000 1.093 412 I CA 1.106 62.454 61.300 0.080 0.000 1.380 412 I CB -1.171 36.812 38.000 -0.028 0.000 1.067 412 I HN 0.116 nan 8.210 nan 0.000 0.413 413 R N 0.797 121.356 120.500 0.099 0.000 2.083 413 R HA -0.181 4.122 4.340 -0.061 0.000 0.237 413 R C 2.051 178.434 176.300 0.138 0.000 1.137 413 R CA 1.658 57.821 56.100 0.106 0.000 0.951 413 R CB -0.331 30.013 30.300 0.073 0.000 0.851 413 R HN 0.386 nan 8.270 nan 0.000 0.434 414 N N 0.399 119.172 118.700 0.121 0.000 2.188 414 N HA -0.107 4.596 4.740 -0.061 0.000 0.184 414 N C 1.375 176.949 175.510 0.106 0.000 1.018 414 N CA 0.980 54.111 53.050 0.135 0.000 0.858 414 N CB -0.375 38.229 38.487 0.194 0.000 0.989 414 N HN 0.205 nan 8.380 nan 0.000 0.426 415 N N -0.021 118.742 118.700 0.105 0.000 2.142 415 N HA -0.145 4.558 4.740 -0.061 0.000 0.186 415 N C 1.640 176.962 175.510 -0.313 0.000 1.023 415 N CA 0.574 53.605 53.050 -0.032 0.000 0.852 415 N CB -0.348 38.200 38.487 0.102 0.000 0.998 415 N HN 0.332 nan 8.380 nan 0.000 0.424 416 Y N 2.024 122.108 120.300 -0.359 0.000 2.128 416 Y HA -0.188 4.325 4.550 -0.061 0.000 0.284 416 Y C 1.945 177.753 175.900 -0.153 0.000 1.154 416 Y CA 1.901 59.810 58.100 -0.319 0.000 1.149 416 Y CB -0.419 38.030 38.460 -0.018 0.000 0.976 416 Y HN 0.145 nan 8.280 nan 0.000 0.505 417 N N -0.326 118.466 118.700 0.154 0.000 2.188 417 N HA -0.165 4.538 4.740 -0.061 0.000 0.184 417 N C 1.925 177.432 175.510 -0.006 0.000 1.018 417 N CA 0.749 53.864 53.050 0.108 0.000 0.858 417 N CB -0.290 38.281 38.487 0.139 0.000 0.989 417 N HN 0.459 nan 8.380 nan 0.000 0.426 418 A N 1.121 123.922 122.820 -0.031 0.000 1.898 418 A HA -0.083 4.200 4.320 -0.061 0.000 0.216 418 A C 2.095 179.623 177.584 -0.094 0.000 1.181 418 A CA 0.974 52.994 52.037 -0.030 0.000 0.620 418 A CB -0.536 18.459 19.000 -0.008 0.000 0.819 418 A HN 0.181 nan 8.150 nan 0.000 0.442 419 I N -0.454 120.011 120.570 -0.175 0.000 2.252 419 I HA -0.251 3.882 4.170 -0.061 0.000 0.245 419 I C 2.521 178.555 176.117 -0.138 0.000 1.102 419 I CA 1.741 62.963 61.300 -0.131 0.000 1.385 419 I CB -0.262 37.586 38.000 -0.253 0.000 1.064 419 I HN 0.390 nan 8.210 nan 0.000 0.414 420 K N 0.995 121.258 120.400 -0.229 0.000 2.044 420 K HA -0.247 4.037 4.320 -0.061 0.000 0.210 420 K C 2.025 178.577 176.600 -0.080 0.000 1.049 420 K CA 1.681 57.872 56.287 -0.161 0.000 0.927 420 K CB 0.013 32.431 32.500 -0.136 0.000 0.713 420 K HN 0.195 nan 8.250 nan 0.000 0.443 421 E N 0.743 120.903 120.200 -0.067 0.000 2.072 421 E HA -0.160 4.153 4.350 -0.061 0.000 0.191 421 E C 1.958 178.492 176.600 -0.110 0.000 0.985 421 E CA 1.332 57.703 56.400 -0.048 0.000 0.801 421 E CB -0.035 29.664 29.700 -0.001 0.000 0.750 421 E HN 0.491 nan 8.360 nan 0.000 0.452 422 E N -0.620 119.453 120.200 -0.212 0.000 2.170 422 E HA -0.070 4.243 4.350 -0.061 0.000 0.191 422 E C 1.472 177.738 176.600 -0.556 0.000 0.981 422 E CA 0.678 56.811 56.400 -0.445 0.000 0.830 422 E CB 0.170 29.462 29.700 -0.681 0.000 0.775 422 E HN 0.350 nan 8.360 nan 0.000 0.470 423 H N -1.511 117.517 119.070 -0.070 0.000 3.457 423 H HA 0.291 4.810 4.556 -0.061 0.000 0.255 423 H C 0.660 175.956 175.328 -0.054 0.000 1.082 423 H CA 0.749 56.760 56.048 -0.062 0.000 1.189 423 H CB 1.650 31.372 29.762 -0.067 0.000 1.511 423 H HN 0.160 nan 8.280 nan 0.000 0.527 424 G N 1.483 110.297 108.800 0.023 0.000 2.712 424 G HA2 -0.208 3.716 3.960 -0.061 0.000 0.686 424 G HA3 -0.208 3.716 3.960 -0.061 0.000 0.686 424 G C 0.385 175.271 174.900 -0.023 0.000 1.181 424 G CA 0.040 45.142 45.100 0.003 0.000 0.762 424 G HN 0.267 nan 8.290 nan 0.000 0.641 425 E N 0.212 120.393 120.200 -0.031 0.000 2.110 425 E HA -0.135 4.178 4.350 -0.061 0.000 0.193 425 E C 1.248 177.845 176.600 -0.005 0.000 0.988 425 E CA 1.024 57.394 56.400 -0.049 0.000 0.804 425 E CB 0.059 29.773 29.700 0.024 0.000 0.745 425 E HN 0.373 nan 8.360 nan 0.000 0.458 426 N N 0.726 119.437 118.700 0.019 0.000 2.949 426 N HA 0.044 4.748 4.740 -0.061 0.000 0.243 426 N C -1.794 173.731 175.510 0.025 0.000 1.113 426 N CA -0.087 52.981 53.050 0.030 0.000 0.980 426 N CB 0.508 39.016 38.487 0.035 0.000 1.256 426 N HN 0.071 nan 8.380 nan 0.000 0.508 427 S N 0.711 116.424 115.700 0.022 0.000 2.579 427 S HA 0.404 4.837 4.470 -0.061 0.000 0.272 427 S C 0.664 175.271 174.600 0.012 0.000 1.141 427 S CA -0.643 57.568 58.200 0.018 0.000 0.843 427 S CB 1.563 64.780 63.200 0.029 0.000 1.122 427 S HN 0.059 nan 8.310 nan 0.000 0.468 428 E N 1.165 121.364 120.200 -0.002 0.000 2.118 428 E HA -0.083 4.230 4.350 -0.061 0.000 0.195 428 E C 1.528 178.122 176.600 -0.009 0.000 0.992 428 E CA 1.807 58.205 56.400 -0.004 0.000 0.804 428 E CB -0.337 29.353 29.700 -0.016 0.000 0.741 428 E HN 0.773 nan 8.360 nan 0.000 0.458 429 E N -0.404 119.754 120.200 -0.070 0.000 2.085 429 E HA -0.188 4.125 4.350 -0.061 0.000 0.194 429 E C 1.852 178.480 176.600 0.047 0.000 0.994 429 E CA 1.261 57.604 56.400 -0.095 0.000 0.801 429 E CB -0.208 29.251 29.700 -0.402 0.000 0.743 429 E HN 0.164 nan 8.360 nan 0.000 0.453 430 M N 0.832 120.451 119.600 0.032 0.000 2.132 430 M HA -0.119 4.324 4.480 -0.061 0.000 0.263 430 M C 1.524 177.920 176.300 0.161 0.000 1.065 430 M CA 1.729 57.075 55.300 0.077 0.000 1.122 430 M CB 0.014 32.604 32.600 -0.017 0.000 1.365 430 M HN -0.126 nan 8.290 nan 0.000 0.411 431 K N -0.279 120.182 120.400 0.102 0.000 2.044 431 K HA -0.200 4.083 4.320 -0.061 0.000 0.210 431 K C 2.038 178.701 176.600 0.105 0.000 1.049 431 K CA 1.799 58.142 56.287 0.095 0.000 0.927 431 K CB -0.251 32.285 32.500 0.060 0.000 0.713 431 K HN 0.376 nan 8.250 nan 0.000 0.443 432 K N -0.076 120.392 120.400 0.113 0.000 2.097 432 K HA -0.147 4.136 4.320 -0.061 0.000 0.206 432 K C 2.033 178.726 176.600 0.155 0.000 1.049 432 K CA 1.283 57.637 56.287 0.113 0.000 0.933 432 K CB -0.219 32.349 32.500 0.113 0.000 0.717 432 K HN 0.077 nan 8.250 nan 0.000 0.442 433 F N 2.014 122.012 119.950 0.081 0.000 2.075 433 F HA -0.175 4.315 4.527 -0.062 0.000 0.297 433 F C 1.775 177.599 175.800 0.041 0.000 1.113 433 F CA 1.363 59.416 58.000 0.088 0.000 1.218 433 F CB -0.297 38.783 39.000 0.134 0.000 0.984 433 F HN -0.120 nan 8.300 nan 0.000 0.472 434 L N 0.192 121.442 121.223 0.045 0.000 2.083 434 L HA -0.224 4.080 4.340 -0.061 0.000 0.209 434 L C 2.545 179.365 176.870 -0.082 0.000 1.083 434 L CA 1.895 56.696 54.840 -0.066 0.000 0.752 434 L CB -0.941 41.177 42.059 0.099 0.000 0.899 434 L HN 0.308 nan 8.230 nan 0.000 0.433 435 E N 0.642 120.828 120.200 -0.024 0.000 2.058 435 E HA -0.265 4.048 4.350 -0.061 0.000 0.194 435 E C 2.204 178.768 176.600 -0.060 0.000 0.997 435 E CA 1.382 57.769 56.400 -0.022 0.000 0.801 435 E CB 0.009 29.709 29.700 0.000 0.000 0.746 435 E HN 0.461 nan 8.360 nan 0.000 0.450 436 A N 1.725 124.492 122.820 -0.088 0.000 1.930 436 A HA -0.121 4.162 4.320 -0.061 0.000 0.217 436 A C 2.286 179.836 177.584 -0.056 0.000 1.175 436 A CA 1.354 53.343 52.037 -0.079 0.000 0.627 436 A CB -0.866 18.100 19.000 -0.056 0.000 0.815 436 A HN 0.563 nan 8.150 nan 0.000 0.443 437 I N -2.592 117.850 120.570 -0.214 0.000 2.361 437 I HA -0.100 4.033 4.170 -0.061 0.000 0.251 437 I C 2.280 178.443 176.117 0.076 0.000 1.133 437 I CA 1.433 62.605 61.300 -0.213 0.000 1.413 437 I CB -0.529 37.018 38.000 -0.755 0.000 1.073 437 I HN 0.169 nan 8.210 nan 0.000 0.424 438 A N 1.157 124.013 122.820 0.060 0.000 2.070 438 A HA -0.109 4.174 4.320 -0.061 0.000 0.220 438 A C 2.214 179.753 177.584 -0.074 0.000 1.159 438 A CA 1.886 54.003 52.037 0.134 0.000 0.656 438 A CB -0.556 18.487 19.000 0.071 0.000 0.800 438 A HN 0.580 nan 8.150 nan 0.000 0.453 439 L N -1.814 119.324 121.223 -0.143 0.000 2.388 439 L HA 0.299 4.602 4.340 -0.061 0.000 0.209 439 L C 1.530 178.197 176.870 -0.339 0.000 1.061 439 L CA 1.144 55.798 54.840 -0.311 0.000 0.834 439 L CB 0.178 42.102 42.059 -0.224 0.000 1.029 439 L HN 0.228 nan 8.230 nan 0.000 0.473 440 I N -1.455 119.039 120.570 -0.127 0.000 4.035 440 I HA 0.172 4.305 4.170 -0.061 0.000 0.321 440 I C 1.051 177.225 176.117 0.095 0.000 1.289 440 I CA 0.219 61.452 61.300 -0.112 0.000 1.236 440 I CB -0.462 37.383 38.000 -0.258 0.000 1.076 440 I HN 0.125 nan 8.210 nan 0.000 0.418 441 S N 1.791 117.680 115.700 0.315 0.000 2.558 441 S HA -0.019 4.414 4.470 -0.061 0.000 0.293 441 S C 1.643 176.355 174.600 0.187 0.000 1.292 441 S CA -0.090 58.306 58.200 0.326 0.000 1.063 441 S CB 0.583 63.993 63.200 0.350 0.000 0.831 441 S HN 0.241 nan 8.310 nan 0.000 0.499 442 R N 2.691 123.261 120.500 0.117 0.000 2.159 442 R HA -0.107 4.196 4.340 -0.061 0.000 0.237 442 R C 1.057 177.356 176.300 -0.003 0.000 1.131 442 R CA 1.521 57.612 56.100 -0.014 0.000 0.982 442 R CB -0.339 29.937 30.300 -0.041 0.000 0.868 442 R HN 0.632 nan 8.270 nan 0.000 0.453 443 D N -0.073 120.372 120.400 0.075 0.000 2.263 443 D HA -0.110 4.493 4.640 -0.061 0.000 0.208 443 D C 1.562 177.932 176.300 0.117 0.000 0.971 443 D CA 0.923 55.013 54.000 0.150 0.000 0.867 443 D CB -0.187 40.790 40.800 0.294 0.000 0.929 443 D HN 0.374 nan 8.370 nan 0.000 0.492 444 H N -0.330 118.683 119.070 -0.096 0.000 2.543 444 H HA 0.058 4.578 4.556 -0.061 0.000 0.286 444 H C 1.630 176.893 175.328 -0.108 0.000 1.037 444 H CA 1.008 56.857 56.048 -0.332 0.000 1.250 444 H CB 0.271 29.700 29.762 -0.555 0.000 1.373 444 H HN 0.112 nan 8.280 nan 0.000 0.580 445 A N 0.546 123.387 122.820 0.035 0.000 2.220 445 A HA 0.066 4.349 4.320 -0.061 0.000 0.211 445 A C 2.097 179.775 177.584 0.156 0.000 1.176 445 A CA -0.007 52.073 52.037 0.071 0.000 0.834 445 A CB 0.210 19.088 19.000 -0.202 0.000 0.868 445 A HN 0.215 nan 8.150 nan 0.000 0.488 446 R N 0.154 120.751 120.500 0.161 0.000 2.437 446 R HA 0.092 4.395 4.340 -0.061 0.000 0.257 446 R C 0.302 176.861 176.300 0.432 0.000 0.927 446 R CA 0.593 56.843 56.100 0.249 0.000 1.078 446 R CB 0.218 30.651 30.300 0.222 0.000 1.161 446 R HN 0.518 nan 8.270 nan 0.000 0.529 447 T N 0.267 114.976 114.554 0.258 0.000 2.926 447 T HA 0.200 4.514 4.350 -0.061 0.000 0.307 447 T C -2.397 172.267 174.700 -0.060 0.000 1.059 447 T CA -1.615 60.487 62.100 0.003 0.000 1.122 447 T CB 1.012 69.811 68.868 -0.116 0.000 0.972 447 T HN -0.202 nan 8.240 nan 0.000 0.545 448 P HA 0.089 nan 4.420 nan 0.000 0.265 448 P C -0.110 177.034 177.300 -0.261 0.000 1.187 448 P CA -0.378 62.405 63.100 -0.528 0.000 0.766 448 P CB 0.248 31.257 31.700 -1.152 0.000 0.820 449 M N 3.143 122.663 119.600 -0.134 0.000 2.248 449 M HA -0.031 4.412 4.480 -0.061 0.000 0.345 449 M C -0.176 175.919 176.300 -0.342 0.000 1.243 449 M CA 1.156 56.325 55.300 -0.217 0.000 1.090 449 M CB -0.175 32.289 32.600 -0.227 0.000 1.683 449 M HN 0.243 nan 8.290 nan 0.000 0.450 450 Q N 4.170 123.718 119.800 -0.421 0.000 2.465 450 Q HA 0.145 4.448 4.340 -0.061 0.000 0.237 450 Q C -0.454 175.316 176.000 -0.382 0.000 1.051 450 Q CA -0.014 55.626 55.803 -0.270 0.000 0.874 450 Q CB 0.484 29.175 28.738 -0.078 0.000 1.207 450 Q HN 0.918 nan 8.270 nan 0.000 0.508 451 W N 1.136 122.388 121.300 -0.080 0.000 2.640 451 W HA -0.004 4.624 4.660 -0.052 0.000 0.268 451 W C 0.964 177.451 176.519 -0.053 0.000 1.263 451 W CA 0.212 57.486 57.345 -0.119 0.000 1.344 451 W CB 0.769 30.131 29.460 -0.164 0.000 1.093 451 W HN 0.500 nan 8.180 nan 0.000 0.603 452 S N -0.699 115.102 115.700 0.168 0.000 2.672 452 S HA 0.350 4.783 4.470 -0.061 0.000 0.271 452 S C 0.262 174.973 174.600 0.185 0.000 1.171 452 S CA -0.964 57.324 58.200 0.147 0.000 0.817 452 S CB 1.290 64.564 63.200 0.124 0.000 1.150 452 S HN 0.206 nan 8.310 nan 0.000 0.478 453 R N 0.030 120.654 120.500 0.207 0.000 2.334 453 R HA 0.332 4.635 4.340 -0.061 0.000 0.220 453 R C 0.269 176.772 176.300 0.339 0.000 0.917 453 R CA -0.239 56.062 56.100 0.334 0.000 1.073 453 R CB -0.196 30.218 30.300 0.190 0.000 1.056 453 R HN 0.718 nan 8.270 nan 0.000 0.506 454 E N 2.345 122.657 120.200 0.187 0.000 2.465 454 E HA -0.062 4.251 4.350 -0.061 0.000 0.260 454 E C -0.566 176.124 176.600 0.151 0.000 0.980 454 E CA 0.063 56.541 56.400 0.130 0.000 0.927 454 E CB 0.666 30.401 29.700 0.058 0.000 0.934 454 E HN 0.183 nan 8.360 nan 0.000 0.459 455 E N 4.907 125.210 120.200 0.173 0.000 2.331 455 E HA 0.096 4.409 4.350 -0.061 0.000 0.272 455 E C -1.698 174.945 176.600 0.071 0.000 1.036 455 E CA -1.715 54.794 56.400 0.181 0.000 0.864 455 E CB 1.207 31.005 29.700 0.164 0.000 1.035 455 E HN 0.484 nan 8.360 nan 0.000 0.408 456 P HA 0.178 nan 4.420 nan 0.000 0.267 456 P C 0.126 177.333 177.300 -0.156 0.000 1.289 456 P CA 0.140 63.278 63.100 0.064 0.000 0.866 456 P CB 0.620 32.356 31.700 0.061 0.000 1.309 457 N N 0.512 119.097 118.700 -0.192 0.000 2.203 457 N HA 0.229 4.932 4.740 -0.061 0.000 0.207 457 N C 0.778 176.117 175.510 -0.285 0.000 1.130 457 N CA 0.396 53.329 53.050 -0.195 0.000 0.861 457 N CB 0.109 38.598 38.487 0.004 0.000 1.005 457 N HN -0.016 nan 8.380 nan 0.000 0.507 458 A N 0.176 122.687 122.820 -0.514 0.000 2.832 458 A HA -0.126 4.157 4.320 -0.061 0.000 0.280 458 A C 1.456 179.022 177.584 -0.031 0.000 1.464 458 A CA 1.524 53.295 52.037 -0.443 0.000 0.804 458 A CB -2.028 16.516 19.000 -0.761 0.000 1.020 458 A HN 0.756 nan 8.150 nan 0.000 0.563 459 G N -2.978 105.837 108.800 0.026 0.000 2.184 459 G HA2 -0.335 3.588 3.960 -0.061 0.000 0.264 459 G HA3 -0.335 3.588 3.960 -0.061 0.000 0.264 459 G C 0.800 175.796 174.900 0.159 0.000 0.975 459 G CA 1.294 46.451 45.100 0.094 0.000 0.642 459 G HN 1.983 nan 8.290 nan 0.000 0.536 460 F N 2.028 122.037 119.950 0.100 0.000 2.146 460 F HA 0.384 4.882 4.527 -0.048 0.000 0.298 460 F C 1.181 176.995 175.800 0.024 0.000 1.096 460 F CA 1.875 59.960 58.000 0.142 0.000 1.275 460 F CB 0.187 39.248 39.000 0.103 0.000 1.008 460 F HN 0.196 nan 8.300 nan 0.000 0.480 461 S N -1.161 114.466 115.700 -0.123 0.000 2.697 461 S HA 0.616 5.049 4.470 -0.061 0.000 0.289 461 S C -0.091 174.457 174.600 -0.086 0.000 1.149 461 S CA -0.558 57.516 58.200 -0.211 0.000 0.850 461 S CB 0.920 64.037 63.200 -0.138 0.000 1.151 461 S HN 0.398 nan 8.310 nan 0.000 0.491 462 G N 1.370 110.121 108.800 -0.082 0.000 2.636 462 G HA2 0.345 4.268 3.960 -0.061 0.000 0.246 462 G HA3 0.345 4.268 3.960 -0.061 0.000 0.246 462 G C -1.649 173.238 174.900 -0.021 0.000 1.216 462 G CA -1.062 44.009 45.100 -0.048 0.000 0.854 462 G HN 0.457 nan 8.290 nan 0.000 0.572 463 P HA -0.106 nan 4.420 nan 0.000 0.225 463 P C 1.648 178.950 177.300 0.004 0.000 1.148 463 P CA 1.556 64.656 63.100 -0.000 0.000 0.779 463 P CB 0.200 31.903 31.700 0.005 0.000 0.780 464 S N -1.590 114.110 115.700 0.001 0.000 2.528 464 S HA 0.305 4.738 4.470 -0.061 0.000 0.219 464 S C 1.144 175.752 174.600 0.013 0.000 0.985 464 S CA -0.182 58.021 58.200 0.006 0.000 0.914 464 S CB -0.597 62.604 63.200 0.002 0.000 0.776 464 S HN 0.146 nan 8.310 nan 0.000 0.526 465 A N 1.690 124.519 122.820 0.016 0.000 2.304 465 A HA 0.552 4.835 4.320 -0.061 0.000 0.271 465 A C 0.114 177.724 177.584 0.044 0.000 1.091 465 A CA -0.621 51.437 52.037 0.035 0.000 0.812 465 A CB 0.371 19.393 19.000 0.035 0.000 1.056 465 A HN 0.463 nan 8.150 nan 0.000 0.489 466 K N 2.252 122.688 120.400 0.060 0.000 2.334 466 K HA 0.443 4.726 4.320 -0.061 0.000 0.265 466 K C -2.760 173.879 176.600 0.064 0.000 1.039 466 K CA -1.726 54.583 56.287 0.037 0.000 0.920 466 K CB 0.650 33.169 32.500 0.030 0.000 1.160 466 K HN 0.372 nan 8.250 nan 0.000 0.451 467 P HA -0.065 nan 4.420 nan 0.000 0.269 467 P C 0.536 177.771 177.300 -0.108 0.000 1.215 467 P CA -0.426 62.717 63.100 0.072 0.000 0.780 467 P CB 0.267 31.950 31.700 -0.027 0.000 0.898 468 W N 3.328 124.486 121.300 -0.237 0.000 2.392 468 W HA 0.005 4.630 4.660 -0.059 0.000 0.279 468 W C -0.546 175.837 176.519 -0.227 0.000 1.225 468 W CA 0.533 57.613 57.345 -0.441 0.000 1.233 468 W CB -0.792 27.834 29.460 -1.389 0.000 1.122 468 W HN 0.223 nan 8.180 nan 0.000 0.561 469 F N -0.006 119.037 119.950 -1.512 0.000 2.613 469 F HA 0.397 4.886 4.527 -0.064 0.000 0.310 469 F C -0.539 174.724 175.800 -0.896 0.000 1.085 469 F CA -1.688 55.454 58.000 -1.431 0.000 0.945 469 F CB 1.053 38.752 39.000 -2.168 0.000 1.298 469 F HN -0.344 nan 8.300 nan 0.000 0.455 470 Y N 4.135 123.853 120.300 -0.969 0.000 2.578 470 Y HA 0.108 4.624 4.550 -0.058 0.000 0.339 470 Y C 0.249 175.798 175.900 -0.585 0.000 1.231 470 Y CA -0.477 57.177 58.100 -0.743 0.000 1.461 470 Y CB 0.193 38.091 38.460 -0.936 0.000 1.323 470 Y HN 0.183 nan 8.280 nan 0.000 0.590 471 L N 3.456 124.571 121.223 -0.179 0.000 2.416 471 L HA 0.022 4.325 4.340 -0.061 0.000 0.272 471 L C 0.394 177.314 176.870 0.084 0.000 1.161 471 L CA -0.005 54.781 54.840 -0.092 0.000 0.845 471 L CB 0.264 42.277 42.059 -0.077 0.000 1.119 471 L HN 0.732 nan 8.230 nan 0.000 0.464 472 N N 2.392 121.157 118.700 0.109 0.000 2.483 472 N HA -0.066 4.637 4.740 -0.061 0.000 0.264 472 N C 0.565 176.229 175.510 0.256 0.000 1.197 472 N CA -0.085 53.078 53.050 0.187 0.000 0.927 472 N CB 0.844 39.411 38.487 0.134 0.000 1.065 472 N HN 0.393 nan 8.380 nan 0.000 0.461 473 D N 1.196 121.706 120.400 0.184 0.000 2.311 473 D HA -0.153 4.450 4.640 -0.061 0.000 0.212 473 D C 1.590 177.848 176.300 -0.070 0.000 0.972 473 D CA 0.897 54.922 54.000 0.042 0.000 0.887 473 D CB -0.082 40.721 40.800 0.005 0.000 0.915 473 D HN 0.699 nan 8.370 nan 0.000 0.497 474 S N 0.547 116.266 115.700 0.032 0.000 2.440 474 S HA -0.219 4.215 4.470 -0.061 0.000 0.238 474 S C 1.989 176.588 174.600 -0.001 0.000 1.010 474 S CA 0.629 58.829 58.200 -0.001 0.000 0.972 474 S CB -1.059 62.160 63.200 0.030 0.000 0.774 474 S HN 0.483 nan 8.310 nan 0.000 0.501 475 F N 2.024 121.970 119.950 -0.007 0.000 2.269 475 F HA 0.176 4.669 4.527 -0.057 0.000 0.301 475 F C 2.109 177.909 175.800 -0.000 0.000 1.082 475 F CA 0.573 58.568 58.000 -0.008 0.000 1.360 475 F CB -0.489 38.507 39.000 -0.008 0.000 1.041 475 F HN 0.044 nan 8.300 nan 0.000 0.512 476 R N 0.736 120.766 120.500 -0.784 0.000 2.276 476 R HA 0.038 4.341 4.340 -0.061 0.000 0.203 476 R C 0.792 176.945 176.300 -0.244 0.000 1.017 476 R CA 0.939 56.685 56.100 -0.591 0.000 1.010 476 R CB -0.346 29.551 30.300 -0.671 0.000 0.900 476 R HN 0.508 nan 8.270 nan 0.000 0.469 477 E N -0.208 119.893 120.200 -0.165 0.000 2.437 477 E HA 0.141 4.454 4.350 -0.061 0.000 0.195 477 E C 0.484 177.058 176.600 -0.042 0.000 1.029 477 E CA 0.136 56.483 56.400 -0.089 0.000 0.948 477 E CB 1.050 30.704 29.700 -0.076 0.000 1.082 477 E HN 0.421 nan 8.360 nan 0.000 0.456 478 G N 1.752 110.539 108.800 -0.022 0.000 2.179 478 G HA2 -0.292 3.631 3.960 -0.061 0.000 0.260 478 G HA3 -0.292 3.631 3.960 -0.061 0.000 0.260 478 G C 0.373 175.294 174.900 0.036 0.000 0.977 478 G CA -0.240 44.869 45.100 0.015 0.000 0.641 478 G HN 0.343 nan 8.290 nan 0.000 0.533 479 I N 2.275 122.866 120.570 0.036 0.000 2.270 479 I HA 0.317 4.450 4.170 -0.061 0.000 0.300 479 I C 0.391 176.547 176.117 0.064 0.000 1.186 479 I CA 0.060 61.387 61.300 0.046 0.000 1.431 479 I CB -0.644 37.377 38.000 0.035 0.000 1.485 479 I HN 0.502 nan 8.210 nan 0.000 0.650 480 N N 2.358 121.091 118.700 0.057 0.000 2.859 480 N HA 0.220 4.923 4.740 -0.061 0.000 0.250 480 N C -0.027 175.504 175.510 0.035 0.000 1.341 480 N CA -0.915 52.155 53.050 0.034 0.000 0.881 480 N CB 1.257 39.806 38.487 0.103 0.000 1.516 480 N HN -0.152 nan 8.380 nan 0.000 0.503 481 V N 0.171 120.079 119.914 -0.011 0.000 2.261 481 V HA -0.212 3.871 4.120 -0.061 0.000 0.246 481 V C 2.324 178.498 176.094 0.133 0.000 1.047 481 V CA 2.307 64.643 62.300 0.060 0.000 1.015 481 V CB -0.846 30.975 31.823 -0.004 0.000 0.642 481 V HN 0.888 nan 8.190 nan 0.000 0.446 482 E N -0.026 120.253 120.200 0.131 0.000 2.038 482 E HA -0.291 4.022 4.350 -0.061 0.000 0.195 482 E C 1.922 178.584 176.600 0.103 0.000 1.000 482 E CA 1.853 58.326 56.400 0.121 0.000 0.803 482 E CB -0.111 29.655 29.700 0.110 0.000 0.750 482 E HN 0.596 nan 8.360 nan 0.000 0.448 483 D N 0.251 120.708 120.400 0.094 0.000 2.117 483 D HA -0.140 4.464 4.640 -0.061 0.000 0.197 483 D C 1.776 178.125 176.300 0.082 0.000 0.987 483 D CA 1.003 55.050 54.000 0.079 0.000 0.829 483 D CB -0.178 40.663 40.800 0.069 0.000 0.961 483 D HN 0.331 nan 8.370 nan 0.000 0.460 484 E N 0.061 120.319 120.200 0.095 0.000 2.150 484 E HA -0.065 4.248 4.350 -0.061 0.000 0.193 484 E C 2.300 178.973 176.600 0.121 0.000 0.985 484 E CA 0.166 56.630 56.400 0.107 0.000 0.814 484 E CB 0.066 29.839 29.700 0.122 0.000 0.752 484 E HN 0.317 nan 8.360 nan 0.000 0.466 485 I N 1.289 121.939 120.570 0.133 0.000 2.226 485 I HA -0.294 3.839 4.170 -0.061 0.000 0.245 485 I C 2.192 178.369 176.117 0.101 0.000 1.100 485 I CA 1.337 62.717 61.300 0.132 0.000 1.374 485 I CB -0.084 38.004 38.000 0.146 0.000 1.057 485 I HN -0.000 nan 8.210 nan 0.000 0.413 486 K N -0.243 120.210 120.400 0.088 0.000 2.296 486 K HA -0.098 4.185 4.320 -0.061 0.000 0.200 486 K C 0.434 177.071 176.600 0.061 0.000 1.048 486 K CA 0.397 56.725 56.287 0.069 0.000 0.966 486 K CB -0.111 32.425 32.500 0.061 0.000 0.754 486 K HN 0.136 nan 8.250 nan 0.000 0.466 487 D N 1.357 121.797 120.400 0.066 0.000 2.365 487 D HA 0.046 4.649 4.640 -0.061 0.000 0.237 487 D C -1.736 174.604 176.300 0.066 0.000 1.190 487 D CA -2.559 51.475 54.000 0.056 0.000 0.867 487 D CB 1.378 42.208 40.800 0.050 0.000 1.050 487 D HN -0.100 nan 8.370 nan 0.000 0.491 488 P HA -0.114 nan 4.420 nan 0.000 0.225 488 P C 0.755 178.100 177.300 0.074 0.000 1.148 488 P CA 0.691 63.830 63.100 0.066 0.000 0.779 488 P CB 0.235 31.966 31.700 0.051 0.000 0.780 489 N N 0.154 118.886 118.700 0.054 0.000 2.322 489 N HA 0.010 4.713 4.740 -0.061 0.000 0.194 489 N C 0.207 175.748 175.510 0.052 0.000 1.126 489 N CA -0.115 52.959 53.050 0.040 0.000 0.845 489 N CB 0.258 38.743 38.487 -0.003 0.000 0.976 489 N HN 0.110 nan 8.380 nan 0.000 0.475 490 S N -0.839 114.913 115.700 0.086 0.000 2.600 490 S HA 0.079 4.513 4.470 -0.061 0.000 0.265 490 S C 1.743 176.439 174.600 0.160 0.000 1.325 490 S CA -0.750 57.511 58.200 0.102 0.000 1.002 490 S CB 1.492 64.761 63.200 0.115 0.000 0.921 490 S HN -0.070 nan 8.310 nan 0.000 0.554 491 V N 1.757 121.767 119.914 0.160 0.000 2.343 491 V HA -0.141 3.942 4.120 -0.061 0.000 0.247 491 V C 2.361 178.700 176.094 0.408 0.000 1.051 491 V CA 1.940 64.395 62.300 0.259 0.000 1.036 491 V CB -1.184 30.778 31.823 0.232 0.000 0.654 491 V HN 0.848 nan 8.190 nan 0.000 0.451 492 L N 0.955 122.369 121.223 0.319 0.000 1.989 492 L HA -0.182 4.121 4.340 -0.061 0.000 0.211 492 L C 2.195 179.249 176.870 0.307 0.000 1.071 492 L CA 2.088 57.120 54.840 0.320 0.000 0.749 492 L CB -1.026 41.178 42.059 0.241 0.000 0.890 492 L HN 0.302 nan 8.230 nan 0.000 0.431 493 N N -0.980 117.868 118.700 0.247 0.000 2.289 493 N HA -0.212 4.492 4.740 -0.061 0.000 0.184 493 N C 1.818 177.464 175.510 0.227 0.000 1.016 493 N CA 1.494 54.666 53.050 0.204 0.000 0.872 493 N CB -0.423 38.160 38.487 0.159 0.000 0.973 493 N HN 0.451 nan 8.380 nan 0.000 0.433 494 F N -0.231 119.809 119.950 0.148 0.000 2.146 494 F HA -0.084 4.406 4.527 -0.062 0.000 0.298 494 F C 1.980 177.875 175.800 0.159 0.000 1.096 494 F CA 1.074 59.143 58.000 0.115 0.000 1.275 494 F CB -0.335 38.676 39.000 0.019 0.000 1.008 494 F HN -0.005 nan 8.300 nan 0.000 0.480 495 W N 1.229 122.690 121.300 0.269 0.000 2.342 495 W HA -0.184 4.441 4.660 -0.058 0.000 0.297 495 W C 2.441 179.000 176.519 0.066 0.000 1.213 495 W CA 1.647 59.106 57.345 0.190 0.000 1.251 495 W CB -0.266 29.324 29.460 0.216 0.000 1.136 495 W HN -0.113 nan 8.180 nan 0.000 0.526 496 K N 0.064 120.628 120.400 0.272 0.000 2.032 496 K HA -0.215 4.068 4.320 -0.061 0.000 0.209 496 K C 1.723 178.348 176.600 0.042 0.000 1.048 496 K CA 1.771 58.139 56.287 0.136 0.000 0.927 496 K CB -0.375 32.183 32.500 0.098 0.000 0.712 496 K HN 0.245 nan 8.250 nan 0.000 0.441 497 E N 0.362 120.540 120.200 -0.037 0.000 2.077 497 E HA -0.189 4.124 4.350 -0.061 0.000 0.193 497 E C 2.090 178.524 176.600 -0.277 0.000 0.989 497 E CA 1.051 57.376 56.400 -0.126 0.000 0.800 497 E CB -0.106 29.497 29.700 -0.163 0.000 0.746 497 E HN 0.335 nan 8.360 nan 0.000 0.452 498 A N 1.190 123.823 122.820 -0.312 0.000 1.902 498 A HA -0.155 4.128 4.320 -0.061 0.000 0.217 498 A C 2.192 179.685 177.584 -0.152 0.000 1.181 498 A CA 1.054 52.850 52.037 -0.402 0.000 0.623 498 A CB -0.582 18.267 19.000 -0.252 0.000 0.818 498 A HN 0.125 nan 8.150 nan 0.000 0.443 499 L N -0.867 120.377 121.223 0.035 0.000 2.093 499 L HA -0.163 4.140 4.340 -0.061 0.000 0.208 499 L C 2.546 179.410 176.870 -0.010 0.000 1.085 499 L CA 1.452 56.342 54.840 0.084 0.000 0.755 499 L CB -0.464 41.699 42.059 0.173 0.000 0.904 499 L HN 0.348 nan 8.230 nan 0.000 0.435 500 K N -0.231 120.149 120.400 -0.034 0.000 2.063 500 K HA -0.221 4.062 4.320 -0.061 0.000 0.208 500 K C 2.100 178.660 176.600 -0.066 0.000 1.048 500 K CA 1.694 57.955 56.287 -0.045 0.000 0.928 500 K CB -0.323 32.160 32.500 -0.029 0.000 0.713 500 K HN 0.128 nan 8.250 nan 0.000 0.442 501 F N 2.194 121.964 119.950 -0.301 0.000 2.102 501 F HA -0.167 4.323 4.527 -0.062 0.000 0.298 501 F C 2.448 178.168 175.800 -0.134 0.000 1.105 501 F CA 1.424 59.236 58.000 -0.314 0.000 1.239 501 F CB -0.234 38.222 39.000 -0.907 0.000 0.991 501 F HN -0.154 nan 8.300 nan 0.000 0.474 502 R N 0.432 120.690 120.500 -0.404 0.000 2.081 502 R HA -0.223 4.080 4.340 -0.061 0.000 0.235 502 R C 2.314 178.448 176.300 -0.276 0.000 1.131 502 R CA 1.894 57.760 56.100 -0.389 0.000 0.960 502 R CB -0.357 29.877 30.300 -0.110 0.000 0.856 502 R HN 0.196 nan 8.270 nan 0.000 0.436 503 K N 0.332 120.629 120.400 -0.171 0.000 2.057 503 K HA -0.007 4.276 4.320 -0.061 0.000 0.206 503 K C 1.788 178.284 176.600 -0.173 0.000 1.050 503 K CA 1.603 57.816 56.287 -0.124 0.000 0.935 503 K CB -0.323 32.135 32.500 -0.070 0.000 0.715 503 K HN 0.295 nan 8.250 nan 0.000 0.439 504 A N -0.171 122.520 122.820 -0.215 0.000 2.019 504 A HA -0.129 4.154 4.320 -0.061 0.000 0.219 504 A C 0.952 178.203 177.584 -0.554 0.000 1.164 504 A CA 1.396 53.243 52.037 -0.317 0.000 0.644 504 A CB -0.485 18.358 19.000 -0.261 0.000 0.805 504 A HN 0.466 nan 8.150 nan 0.000 0.449 505 H N -0.885 117.964 119.070 -0.369 0.000 2.467 505 H HA 0.100 4.619 4.556 -0.062 0.000 0.275 505 H C 1.176 176.319 175.328 -0.309 0.000 1.131 505 H CA 0.456 56.286 56.048 -0.363 0.000 0.989 505 H CB 0.185 29.620 29.762 -0.545 0.000 1.696 505 H HN 0.797 nan 8.280 nan 0.000 0.574 506 K N 0.163 120.459 120.400 -0.172 0.000 2.211 506 K HA -0.150 4.133 4.320 -0.061 0.000 0.204 506 K C 0.650 177.222 176.600 -0.047 0.000 1.047 506 K CA 1.583 57.811 56.287 -0.098 0.000 0.935 506 K CB 0.196 32.679 32.500 -0.029 0.000 0.728 506 K HN -0.039 nan 8.250 nan 0.000 0.452 507 D N 1.187 121.465 120.400 -0.203 0.000 2.123 507 D HA -0.157 4.446 4.640 -0.061 0.000 0.196 507 D C 1.852 177.852 176.300 -0.499 0.000 0.992 507 D CA 1.250 54.910 54.000 -0.566 0.000 0.833 507 D CB -0.043 40.147 40.800 -1.017 0.000 0.954 507 D HN 0.362 nan 8.370 nan 0.000 0.455 508 I N -0.063 120.350 120.570 -0.261 0.000 3.462 508 I HA -0.109 4.024 4.170 -0.061 0.000 0.290 508 I C 2.011 178.109 176.117 -0.031 0.000 1.236 508 I CA 0.682 61.931 61.300 -0.084 0.000 1.418 508 I CB 0.142 38.131 38.000 -0.018 0.000 1.102 508 I HN 0.016 nan 8.210 nan 0.000 0.441 509 T N -1.910 112.599 114.554 -0.075 0.000 2.770 509 T HA -0.036 4.277 4.350 -0.061 0.000 0.258 509 T C 1.715 176.368 174.700 -0.078 0.000 1.039 509 T CA 1.275 63.331 62.100 -0.074 0.000 1.143 509 T CB -0.774 67.999 68.868 -0.159 0.000 0.866 509 T HN 0.088 nan 8.240 nan 0.000 0.428 510 V N 0.010 119.863 119.914 -0.102 0.000 2.407 510 V HA 0.051 4.134 4.120 -0.061 0.000 0.245 510 V C 1.857 177.885 176.094 -0.110 0.000 1.041 510 V CA 1.138 63.334 62.300 -0.173 0.000 1.040 510 V CB -0.740 30.858 31.823 -0.375 0.000 0.671 510 V HN 0.521 nan 8.190 nan 0.000 0.455 511 Y N 0.519 120.911 120.300 0.154 0.000 2.555 511 Y HA 0.530 5.043 4.550 -0.061 0.000 0.259 511 Y C 1.541 177.635 175.900 0.322 0.000 1.179 511 Y CA -0.399 57.887 58.100 0.311 0.000 1.230 511 Y CB -0.357 38.248 38.460 0.241 0.000 1.146 511 Y HN 0.214 nan 8.280 nan 0.000 0.526 512 G N 0.259 109.203 108.800 0.240 0.000 2.554 512 G HA2 0.260 4.183 3.960 -0.061 0.000 0.238 512 G HA3 0.260 4.183 3.960 -0.061 0.000 0.238 512 G C -0.712 174.265 174.900 0.129 0.000 1.259 512 G CA 0.043 45.218 45.100 0.123 0.000 0.843 512 G HN 0.347 nan 8.290 nan 0.000 0.582 513 Y N -2.344 117.997 120.300 0.069 0.000 2.790 513 Y HA 0.574 5.087 4.550 -0.062 0.000 0.323 513 Y C 0.117 176.034 175.900 0.027 0.000 1.230 513 Y CA -1.686 56.410 58.100 -0.007 0.000 1.121 513 Y CB 0.720 39.027 38.460 -0.255 0.000 1.328 513 Y HN 0.481 nan 8.280 nan 0.000 0.514 514 D N 0.136 120.751 120.400 0.358 0.000 2.689 514 D HA -0.270 4.333 4.640 -0.061 0.000 0.237 514 D C -0.801 175.623 176.300 0.206 0.000 1.148 514 D CA 0.940 55.109 54.000 0.282 0.000 0.656 514 D CB -1.362 39.596 40.800 0.265 0.000 1.050 514 D HN 0.613 nan 8.370 nan 0.000 0.426 515 F N 1.081 121.072 119.950 0.068 0.000 2.602 515 F HA 0.112 4.602 4.527 -0.061 0.000 0.385 515 F C 0.696 176.494 175.800 -0.004 0.000 1.063 515 F CA 0.472 58.475 58.000 0.004 0.000 1.233 515 F CB 0.514 39.504 39.000 -0.016 0.000 1.067 515 F HN -0.160 nan 8.300 nan 0.000 0.564 516 E N 6.831 126.789 120.200 -0.404 0.000 2.256 516 E HA 0.198 4.511 4.350 -0.061 0.000 0.268 516 E C -1.041 175.341 176.600 -0.363 0.000 0.877 516 E CA -0.663 55.618 56.400 -0.198 0.000 0.757 516 E CB 1.662 31.358 29.700 -0.007 0.000 1.183 516 E HN 0.497 nan 8.360 nan 0.000 0.418 517 F N 1.945 121.890 119.950 -0.009 0.000 2.471 517 F HA 0.190 4.680 4.527 -0.062 0.000 0.353 517 F C 0.805 176.650 175.800 0.076 0.000 1.113 517 F CA -0.250 57.792 58.000 0.069 0.000 1.262 517 F CB 0.678 39.760 39.000 0.138 0.000 1.146 517 F HN 0.202 nan 8.300 nan 0.000 0.578 518 I N 2.764 123.535 120.570 0.335 0.000 2.362 518 I HA 0.141 4.274 4.170 -0.061 0.000 0.289 518 I C -0.141 176.105 176.117 0.214 0.000 0.994 518 I CA -0.690 60.755 61.300 0.241 0.000 1.158 518 I CB 0.874 39.029 38.000 0.257 0.000 1.315 518 I HN 0.600 nan 8.210 nan 0.000 0.451 519 D N 3.902 124.389 120.400 0.145 0.000 2.737 519 D HA -0.208 4.395 4.640 -0.061 0.000 0.238 519 D C 1.021 177.349 176.300 0.047 0.000 1.157 519 D CA 0.286 54.341 54.000 0.091 0.000 0.694 519 D CB -0.226 40.633 40.800 0.098 0.000 1.021 519 D HN 0.567 nan 8.370 nan 0.000 0.420 520 L N 0.939 122.165 121.223 0.006 0.000 2.089 520 L HA -0.177 4.127 4.340 -0.061 0.000 0.213 520 L C 1.618 178.382 176.870 -0.176 0.000 1.079 520 L CA 2.311 57.046 54.840 -0.175 0.000 0.758 520 L CB -0.204 41.717 42.059 -0.229 0.000 0.891 520 L HN 0.131 nan 8.230 nan 0.000 0.433 521 D N -0.699 119.647 120.400 -0.090 0.000 2.347 521 D HA -0.074 4.529 4.640 -0.061 0.000 0.215 521 D C 0.682 176.951 176.300 -0.051 0.000 0.976 521 D CA 0.153 54.109 54.000 -0.075 0.000 0.884 521 D CB -0.561 40.212 40.800 -0.044 0.000 0.915 521 D HN 0.355 nan 8.370 nan 0.000 0.526 522 N N 1.485 120.169 118.700 -0.028 0.000 2.359 522 N HA -0.090 4.613 4.740 -0.061 0.000 0.261 522 N C 0.692 176.201 175.510 -0.002 0.000 1.267 522 N CA 0.376 53.427 53.050 0.002 0.000 0.864 522 N CB 0.610 39.121 38.487 0.040 0.000 1.063 522 N HN 0.059 nan 8.380 nan 0.000 0.474 523 K N 2.707 123.105 120.400 -0.003 0.000 2.486 523 K HA -0.008 4.275 4.320 -0.061 0.000 0.194 523 K C 0.903 177.515 176.600 0.019 0.000 1.033 523 K CA 0.824 57.106 56.287 -0.007 0.000 1.004 523 K CB 0.528 33.013 32.500 -0.026 0.000 0.798 523 K HN 0.527 nan 8.250 nan 0.000 0.495 524 K N -0.291 120.133 120.400 0.040 0.000 2.412 524 K HA 0.109 4.392 4.320 -0.061 0.000 0.201 524 K C -0.028 176.665 176.600 0.156 0.000 1.275 524 K CA -0.282 56.039 56.287 0.057 0.000 0.910 524 K CB 0.329 32.818 32.500 -0.019 0.000 1.346 524 K HN -0.101 nan 8.250 nan 0.000 0.490 525 L N 2.198 123.507 121.223 0.143 0.000 2.313 525 L HA 0.288 4.592 4.340 -0.061 0.000 0.282 525 L C -1.007 176.047 176.870 0.306 0.000 1.092 525 L CA -0.207 54.755 54.840 0.202 0.000 0.831 525 L CB 0.324 42.475 42.059 0.153 0.000 1.159 525 L HN -0.073 nan 8.230 nan 0.000 0.442 526 F N 5.286 125.398 119.950 0.270 0.000 2.332 526 F HA 0.605 5.095 4.527 -0.061 0.000 0.368 526 F C -0.115 175.808 175.800 0.204 0.000 1.110 526 F CA -0.368 57.831 58.000 0.331 0.000 1.087 526 F CB 0.958 40.265 39.000 0.511 0.000 1.235 526 F HN 0.527 nan 8.300 nan 0.000 0.470 527 S N 6.758 122.799 115.700 0.569 0.000 2.549 527 S HA 0.897 5.330 4.470 -0.061 0.000 0.280 527 S C -1.301 173.453 174.600 0.257 0.000 1.109 527 S CA -0.334 57.933 58.200 0.112 0.000 0.905 527 S CB 0.925 64.157 63.200 0.052 0.000 1.081 527 S HN 0.550 nan 8.310 nan 0.000 0.477 528 F N -0.254 119.618 119.950 -0.130 0.000 2.741 528 F HA 0.748 5.238 4.527 -0.061 0.000 0.311 528 F C -0.605 175.030 175.800 -0.275 0.000 1.149 528 F CA -0.836 56.983 58.000 -0.301 0.000 0.930 528 F CB 0.960 39.519 39.000 -0.735 0.000 1.312 528 F HN 0.531 nan 8.300 nan 0.000 0.450 529 T N -0.976 113.575 114.554 -0.006 0.000 2.924 529 T HA 0.850 5.163 4.350 -0.061 0.000 0.291 529 T C -1.148 173.573 174.700 0.035 0.000 1.045 529 T CA -0.955 61.202 62.100 0.093 0.000 1.015 529 T CB 2.425 71.389 68.868 0.160 0.000 1.103 529 T HN 0.862 nan 8.240 nan 0.000 0.496 530 K N 0.682 121.146 120.400 0.107 0.000 2.480 530 K HA 0.680 4.963 4.320 -0.061 0.000 0.258 530 K C -1.021 175.569 176.600 -0.016 0.000 0.990 530 K CA -1.289 55.028 56.287 0.049 0.000 0.857 530 K CB 1.960 34.511 32.500 0.086 0.000 1.384 530 K HN 0.341 nan 8.250 nan 0.000 0.446 531 K N 1.118 121.399 120.400 -0.198 0.000 2.328 531 K HA 0.429 4.713 4.320 -0.061 0.000 0.246 531 K C -1.566 174.621 176.600 -0.689 0.000 0.955 531 K CA -0.785 55.293 56.287 -0.347 0.000 0.817 531 K CB 1.960 34.270 32.500 -0.316 0.000 1.208 531 K HN 0.663 nan 8.250 nan 0.000 0.432 532 Y N 2.537 122.527 120.300 -0.517 0.000 2.287 532 Y HA 0.109 4.623 4.550 -0.061 0.000 0.325 532 Y C 0.176 176.019 175.900 -0.094 0.000 1.139 532 Y CA -0.310 57.547 58.100 -0.404 0.000 1.167 532 Y CB 0.534 38.889 38.460 -0.175 0.000 1.158 532 Y HN 0.774 nan 8.280 nan 0.000 0.434 533 N N 1.750 120.365 118.700 -0.141 0.000 1.194 533 N HA -0.385 4.318 4.740 -0.061 0.000 0.131 533 N C 0.913 176.438 175.510 0.025 0.000 0.688 533 N CA 2.059 55.101 53.050 -0.013 0.000 0.927 533 N CB -0.874 37.609 38.487 -0.006 0.000 1.224 533 N HN 0.879 nan 8.380 nan 0.000 0.529 534 N N 2.294 121.019 118.700 0.041 0.000 2.515 534 N HA -0.041 4.662 4.740 -0.061 0.000 0.185 534 N C -0.271 175.244 175.510 0.009 0.000 1.109 534 N CA 0.820 53.884 53.050 0.024 0.000 0.903 534 N CB 0.146 38.645 38.487 0.021 0.000 0.969 534 N HN 0.501 nan 8.380 nan 0.000 0.450 535 K N 0.567 120.986 120.400 0.032 0.000 2.118 535 K HA 0.341 4.624 4.320 -0.061 0.000 0.267 535 K C -0.590 176.009 176.600 -0.001 0.000 0.991 535 K CA -0.248 56.048 56.287 0.016 0.000 0.916 535 K CB 1.414 33.954 32.500 0.066 0.000 1.041 535 K HN -0.089 nan 8.250 nan 0.000 0.455 536 T N 2.351 116.895 114.554 -0.018 0.000 2.879 536 T HA 0.300 4.613 4.350 -0.061 0.000 0.290 536 T C -0.929 173.865 174.700 0.156 0.000 0.993 536 T CA -0.715 61.424 62.100 0.065 0.000 0.975 536 T CB 0.883 69.819 68.868 0.113 0.000 0.981 536 T HN 0.394 nan 8.240 nan 0.000 0.439 537 L N 4.157 125.499 121.223 0.198 0.000 2.307 537 L HA 0.823 5.126 4.340 -0.061 0.000 0.282 537 L C -1.383 175.683 176.870 0.326 0.000 1.051 537 L CA -0.857 54.135 54.840 0.252 0.000 0.804 537 L CB 0.792 42.959 42.059 0.180 0.000 1.197 537 L HN 0.687 nan 8.230 nan 0.000 0.431 538 F N 5.157 125.224 119.950 0.194 0.000 2.518 538 F HA 0.764 5.255 4.527 -0.061 0.000 0.323 538 F C -0.670 175.064 175.800 -0.109 0.000 1.129 538 F CA -0.538 57.475 58.000 0.023 0.000 0.920 538 F CB 1.492 40.482 39.000 -0.017 0.000 1.160 538 F HN 0.532 nan 8.300 nan 0.000 0.440 539 A N 4.500 126.518 122.820 -1.337 0.000 2.330 539 A HA 0.906 5.189 4.320 -0.061 0.000 0.327 539 A C -1.275 175.412 177.584 -1.496 0.000 1.155 539 A CA -0.278 50.987 52.037 -1.286 0.000 0.803 539 A CB 0.906 18.927 19.000 -1.632 0.000 1.208 539 A HN 1.405 nan 8.150 nan 0.000 0.477 540 A N 2.734 124.978 122.820 -0.961 0.000 2.375 540 A HA 0.672 4.955 4.320 -0.061 0.000 0.291 540 A C -1.052 176.267 177.584 -0.443 0.000 1.160 540 A CA -0.286 51.312 52.037 -0.732 0.000 0.747 540 A CB 0.360 18.710 19.000 -1.083 0.000 1.170 540 A HN 0.801 nan 8.150 nan 0.000 0.458 541 L N 2.369 123.469 121.223 -0.204 0.000 2.376 541 L HA 0.450 4.753 4.340 -0.061 0.000 0.275 541 L C -0.287 176.583 176.870 0.001 0.000 0.987 541 L CA -0.872 53.907 54.840 -0.102 0.000 0.828 541 L CB 2.049 44.141 42.059 0.055 0.000 1.249 541 L HN 0.664 nan 8.230 nan 0.000 0.409 542 N N 2.821 121.417 118.700 -0.173 0.000 2.645 542 N HA 0.257 4.960 4.740 -0.061 0.000 0.233 542 N C -0.765 174.527 175.510 -0.364 0.000 1.058 542 N CA -0.320 52.626 53.050 -0.174 0.000 0.942 542 N CB 0.216 38.574 38.487 -0.216 0.000 1.210 542 N HN 0.341 nan 8.380 nan 0.000 0.512 543 F N 2.175 122.058 119.950 -0.111 0.000 2.666 543 F HA 0.194 4.684 4.527 -0.062 0.000 0.362 543 F C 0.781 176.145 175.800 -0.727 0.000 1.190 543 F CA -0.059 57.813 58.000 -0.214 0.000 1.328 543 F CB -0.402 38.722 39.000 0.207 0.000 1.682 543 F HN 0.348 nan 8.300 nan 0.000 0.623 544 S N -2.112 112.774 115.700 -1.357 0.000 2.587 544 S HA 0.288 4.721 4.470 -0.061 0.000 0.269 544 S C 0.224 174.019 174.600 -1.341 0.000 1.154 544 S CA -0.814 56.733 58.200 -1.089 0.000 0.824 544 S CB 1.315 64.253 63.200 -0.437 0.000 1.118 544 S HN -0.085 nan 8.310 nan 0.000 0.462 545 S N 0.757 116.117 115.700 -0.565 0.000 2.603 545 S HA 0.177 4.610 4.470 -0.061 0.000 0.220 545 S C -0.077 174.438 174.600 -0.142 0.000 0.967 545 S CA 0.102 58.192 58.200 -0.183 0.000 0.920 545 S CB -0.390 62.914 63.200 0.172 0.000 0.773 545 S HN 0.659 nan 8.310 nan 0.000 0.529 546 D N 1.820 122.104 120.400 -0.192 0.000 2.294 546 D HA 0.484 5.088 4.640 -0.061 0.000 0.250 546 D C 0.121 176.342 176.300 -0.133 0.000 1.058 546 D CA -0.210 53.719 54.000 -0.119 0.000 0.950 546 D CB 1.130 41.872 40.800 -0.096 0.000 1.158 546 D HN 0.164 nan 8.370 nan 0.000 0.453 547 A N 0.986 123.756 122.820 -0.083 0.000 2.445 547 A HA 0.465 4.748 4.320 -0.061 0.000 0.242 547 A C 0.062 177.609 177.584 -0.061 0.000 1.075 547 A CA 0.171 52.163 52.037 -0.075 0.000 0.777 547 A CB 0.272 19.241 19.000 -0.051 0.000 1.013 547 A HN 0.435 nan 8.150 nan 0.000 0.493 548 T N 2.233 116.763 114.554 -0.039 0.000 2.971 548 T HA 0.379 4.692 4.350 -0.061 0.000 0.304 548 T C -1.232 173.512 174.700 0.074 0.000 1.038 548 T CA -0.572 61.529 62.100 0.001 0.000 1.007 548 T CB 1.192 70.052 68.868 -0.013 0.000 1.055 548 T HN 0.663 nan 8.240 nan 0.000 0.451 549 D N 2.300 122.738 120.400 0.062 0.000 2.344 549 D HA 0.602 5.206 4.640 -0.061 0.000 0.244 549 D C -0.124 176.291 176.300 0.191 0.000 1.134 549 D CA 0.010 54.046 54.000 0.061 0.000 0.930 549 D CB 0.672 41.459 40.800 -0.022 0.000 1.175 549 D HN 0.507 nan 8.370 nan 0.000 0.437 550 F N -2.157 117.790 119.950 -0.005 0.000 2.662 550 F HA 0.614 5.104 4.527 -0.061 0.000 0.312 550 F C -1.037 174.744 175.800 -0.031 0.000 1.113 550 F CA -1.153 56.864 58.000 0.027 0.000 0.951 550 F CB 1.583 40.647 39.000 0.107 0.000 1.344 550 F HN -0.090 nan 8.300 nan 0.000 0.462 551 K N 2.408 122.844 120.400 0.059 0.000 2.371 551 K HA 0.606 4.889 4.320 -0.061 0.000 0.251 551 K C -1.319 175.147 176.600 -0.223 0.000 0.934 551 K CA -0.824 55.358 56.287 -0.175 0.000 0.798 551 K CB 2.996 35.415 32.500 -0.134 0.000 1.204 551 K HN 0.636 nan 8.250 nan 0.000 0.427 552 I N 4.498 124.718 120.570 -0.583 0.000 2.304 552 I HA 0.199 4.332 4.170 -0.061 0.000 0.291 552 I C -1.949 173.796 176.117 -0.620 0.000 1.018 552 I CA -2.225 58.438 61.300 -1.062 0.000 1.260 552 I CB 0.973 38.121 38.000 -1.420 0.000 1.390 552 I HN 0.270 nan 8.210 nan 0.000 0.475 553 P HA 0.080 nan 4.420 nan 0.000 0.271 553 P C -0.543 176.635 177.300 -0.203 0.000 1.216 553 P CA -0.034 62.939 63.100 -0.212 0.000 0.776 553 P CB 0.251 31.905 31.700 -0.075 0.000 0.881 554 N N -0.886 117.751 118.700 -0.105 0.000 2.716 554 N HA -0.215 4.488 4.740 -0.061 0.000 0.250 554 N C -0.189 175.304 175.510 -0.028 0.000 1.033 554 N CA 0.554 53.587 53.050 -0.029 0.000 0.727 554 N CB -1.373 37.147 38.487 0.054 0.000 0.950 554 N HN 0.553 nan 8.380 nan 0.000 0.541 555 D N 1.078 121.375 120.400 -0.171 0.000 2.455 555 D HA 0.185 4.788 4.640 -0.061 0.000 0.241 555 D C 0.155 176.452 176.300 -0.005 0.000 1.138 555 D CA 0.407 54.277 54.000 -0.217 0.000 0.877 555 D CB 0.626 41.229 40.800 -0.329 0.000 1.187 555 D HN 0.451 nan 8.370 nan 0.000 0.451 556 D N -1.286 119.206 120.400 0.152 0.000 2.759 556 D HA 0.132 4.735 4.640 -0.061 0.000 0.321 556 D C 0.456 176.849 176.300 0.154 0.000 1.267 556 D CA -0.441 53.632 54.000 0.121 0.000 0.933 556 D CB -0.009 40.851 40.800 0.101 0.000 1.431 556 D HN 0.112 nan 8.370 nan 0.000 0.504 557 S N -0.956 114.798 115.700 0.089 0.000 2.507 557 S HA -0.137 4.296 4.470 -0.061 0.000 0.235 557 S C 1.599 176.251 174.600 0.087 0.000 0.988 557 S CA 1.177 59.426 58.200 0.081 0.000 0.944 557 S CB -0.911 62.318 63.200 0.048 0.000 0.762 557 S HN 0.608 nan 8.310 nan 0.000 0.526 558 S N 0.376 116.111 115.700 0.057 0.000 2.461 558 S HA 0.179 4.612 4.470 -0.061 0.000 0.228 558 S C 0.263 174.821 174.600 -0.070 0.000 1.005 558 S CA -0.398 57.778 58.200 -0.039 0.000 0.942 558 S CB -0.877 62.241 63.200 -0.136 0.000 0.776 558 S HN 0.424 nan 8.310 nan 0.000 0.514 559 F N 3.209 123.195 119.950 0.060 0.000 2.487 559 F HA 0.358 4.848 4.527 -0.062 0.000 0.364 559 F C 0.751 176.695 175.800 0.239 0.000 1.126 559 F CA -0.196 57.880 58.000 0.126 0.000 1.135 559 F CB 0.331 39.340 39.000 0.015 0.000 1.127 559 F HN -0.032 nan 8.300 nan 0.000 0.559 560 K N 3.736 124.346 120.400 0.350 0.000 2.182 560 K HA 0.441 4.724 4.320 -0.061 0.000 0.262 560 K C -0.937 175.786 176.600 0.205 0.000 0.957 560 K CA -1.217 55.229 56.287 0.265 0.000 0.842 560 K CB 1.889 34.472 32.500 0.139 0.000 1.099 560 K HN 0.335 nan 8.250 nan 0.000 0.438 561 L N 3.301 124.520 121.223 -0.006 0.000 2.433 561 L HA 0.027 4.331 4.340 -0.061 0.000 0.275 561 L C 0.465 177.230 176.870 -0.174 0.000 1.128 561 L CA 0.982 55.587 54.840 -0.392 0.000 0.875 561 L CB 0.209 41.983 42.059 -0.476 0.000 1.171 561 L HN 0.674 nan 8.230 nan 0.000 0.463 562 E N 4.655 124.749 120.200 -0.176 0.000 2.434 562 E HA 0.175 4.489 4.350 -0.061 0.000 0.207 562 E C -0.726 175.762 176.600 -0.186 0.000 0.929 562 E CA 0.328 56.674 56.400 -0.090 0.000 1.001 562 E CB 0.786 30.475 29.700 -0.018 0.000 1.016 562 E HN 0.457 nan 8.360 nan 0.000 0.502 563 F N -0.293 119.312 119.950 -0.576 0.000 2.665 563 F HA 0.565 5.055 4.527 -0.062 0.000 0.308 563 F C -0.554 174.991 175.800 -0.424 0.000 1.112 563 F CA -0.414 57.170 58.000 -0.694 0.000 0.972 563 F CB 1.896 39.986 39.000 -1.516 0.000 1.295 563 F HN -0.040 nan 8.300 nan 0.000 0.440 564 G N 2.573 110.822 108.800 -0.918 0.000 2.451 564 G HA2 0.259 4.182 3.960 -0.061 0.000 0.292 564 G HA3 0.259 4.182 3.960 -0.061 0.000 0.292 564 G C -1.145 173.475 174.900 -0.466 0.000 1.427 564 G CA -0.402 44.344 45.100 -0.589 0.000 0.792 564 G HN 0.793 nan 8.290 nan 0.000 0.498 565 N N -1.369 117.175 118.700 -0.259 0.000 2.282 565 N HA 0.123 4.827 4.740 -0.061 0.000 0.185 565 N C 0.020 175.434 175.510 -0.159 0.000 1.099 565 N CA -0.079 52.784 53.050 -0.312 0.000 0.878 565 N CB 0.148 38.288 38.487 -0.578 0.000 0.993 565 N HN 0.494 nan 8.380 nan 0.000 0.481 566 Y N 1.206 121.387 120.300 -0.198 0.000 2.298 566 Y HA 0.362 4.875 4.550 -0.061 0.000 0.329 566 Y C -1.732 174.115 175.900 -0.089 0.000 1.293 566 Y CA -2.236 55.788 58.100 -0.126 0.000 1.388 566 Y CB 0.519 38.923 38.460 -0.094 0.000 1.309 566 Y HN -0.090 nan 8.280 nan 0.000 0.544 567 P HA 0.003 nan 4.420 nan 0.000 0.263 567 P C -0.251 177.070 177.300 0.034 0.000 1.195 567 P CA 0.309 63.418 63.100 0.015 0.000 0.762 567 P CB 0.593 32.295 31.700 0.005 0.000 0.799 568 K N 2.671 123.083 120.400 0.019 0.000 2.113 568 K HA -0.209 4.074 4.320 -0.061 0.000 0.208 568 K C 1.315 177.925 176.600 0.017 0.000 1.047 568 K CA 1.648 57.940 56.287 0.010 0.000 0.928 568 K CB -0.132 32.376 32.500 0.015 0.000 0.716 568 K HN 0.444 nan 8.250 nan 0.000 0.446 569 K N 0.582 120.996 120.400 0.024 0.000 2.418 569 K HA -0.048 4.235 4.320 -0.061 0.000 0.195 569 K C 0.910 177.527 176.600 0.029 0.000 1.035 569 K CA 0.715 57.017 56.287 0.024 0.000 1.003 569 K CB 0.312 32.825 32.500 0.023 0.000 0.793 569 K HN 0.235 nan 8.250 nan 0.000 0.494 570 E N 0.489 120.712 120.200 0.037 0.000 2.538 570 E HA 0.070 4.384 4.350 -0.061 0.000 0.207 570 E C -0.691 175.942 176.600 0.055 0.000 1.002 570 E CA -0.137 56.291 56.400 0.048 0.000 0.952 570 E CB 1.046 30.782 29.700 0.060 0.000 1.031 570 E HN -0.091 nan 8.360 nan 0.000 0.476 571 V N 2.150 122.090 119.914 0.043 0.000 2.407 571 V HA 0.091 4.175 4.120 -0.061 0.000 0.278 571 V C -0.180 175.931 176.094 0.028 0.000 1.037 571 V CA -0.775 61.542 62.300 0.029 0.000 0.900 571 V CB 1.393 33.220 31.823 0.007 0.000 0.983 571 V HN 0.057 nan 8.190 nan 0.000 0.459 572 D N 4.195 124.615 120.400 0.033 0.000 2.393 572 D HA 0.378 4.981 4.640 -0.061 0.000 0.232 572 D C 0.987 177.338 176.300 0.085 0.000 1.192 572 D CA 0.068 54.096 54.000 0.046 0.000 0.882 572 D CB 1.599 42.420 40.800 0.034 0.000 1.038 572 D HN 0.577 nan 8.370 nan 0.000 0.499 573 A N 3.013 125.893 122.820 0.100 0.000 2.024 573 A HA -0.168 4.115 4.320 -0.061 0.000 0.220 573 A C 2.080 179.827 177.584 0.272 0.000 1.164 573 A CA 1.777 53.932 52.037 0.196 0.000 0.643 573 A CB -0.430 18.668 19.000 0.162 0.000 0.806 573 A HN 0.586 nan 8.150 nan 0.000 0.451 574 S N 0.292 116.076 115.700 0.141 0.000 2.522 574 S HA 0.025 4.459 4.470 -0.061 0.000 0.227 574 S C 1.114 175.723 174.600 0.015 0.000 0.986 574 S CA 0.570 58.813 58.200 0.072 0.000 0.929 574 S CB -0.908 62.312 63.200 0.033 0.000 0.769 574 S HN 0.824 nan 8.310 nan 0.000 0.529 575 S N 1.303 117.030 115.700 0.045 0.000 2.572 575 S HA 0.383 4.816 4.470 -0.061 0.000 0.279 575 S C 0.456 175.001 174.600 -0.091 0.000 1.341 575 S CA -0.783 57.410 58.200 -0.011 0.000 1.043 575 S CB 0.532 63.745 63.200 0.022 0.000 0.887 575 S HN 0.333 nan 8.310 nan 0.000 0.516 576 R N 1.112 121.453 120.500 -0.266 0.000 2.662 576 R HA 0.291 4.594 4.340 -0.061 0.000 0.396 576 R C -0.624 175.405 176.300 -0.452 0.000 1.096 576 R CA -0.145 55.521 56.100 -0.723 0.000 1.081 576 R CB 0.284 30.160 30.300 -0.707 0.000 1.382 576 R HN 0.714 nan 8.270 nan 0.000 0.580 577 T N 1.235 115.737 114.554 -0.086 0.000 2.841 577 T HA 0.485 4.798 4.350 -0.061 0.000 0.285 577 T C 0.040 174.818 174.700 0.129 0.000 0.991 577 T CA -0.474 61.652 62.100 0.042 0.000 0.966 577 T CB 2.159 71.013 68.868 -0.024 0.000 0.962 577 T HN -0.019 nan 8.240 nan 0.000 0.438 578 L N 3.292 124.604 121.223 0.149 0.000 2.350 578 L HA 0.438 4.742 4.340 -0.061 0.000 0.275 578 L C 0.855 177.639 176.870 -0.142 0.000 1.099 578 L CA -1.006 53.823 54.840 -0.019 0.000 0.808 578 L CB 0.610 42.634 42.059 -0.058 0.000 1.149 578 L HN 0.334 nan 8.230 nan 0.000 0.442 579 K N 2.567 122.778 120.400 -0.315 0.000 2.149 579 K HA 0.276 4.559 4.320 -0.061 0.000 0.245 579 K C -2.300 174.174 176.600 -0.210 0.000 1.024 579 K CA -1.778 54.318 56.287 -0.318 0.000 0.899 579 K CB -0.065 32.065 32.500 -0.617 0.000 1.038 579 K HN 0.205 nan 8.250 nan 0.000 0.496 580 P HA -0.091 nan 4.420 nan 0.000 0.262 580 P C -0.673 176.695 177.300 0.113 0.000 1.182 580 P CA 0.412 63.481 63.100 -0.050 0.000 0.761 580 P CB 0.021 31.784 31.700 0.104 0.000 0.795 581 W N -0.050 121.238 121.300 -0.020 0.000 3.520 581 W HA -0.229 4.395 4.660 -0.060 0.000 0.305 581 W C 0.519 176.995 176.519 -0.071 0.000 1.150 581 W CA 0.495 57.792 57.345 -0.080 0.000 0.656 581 W CB -2.081 27.341 29.460 -0.063 0.000 2.198 581 W HN 0.399 nan 8.180 nan 0.000 1.417 582 E N 1.079 121.290 120.200 0.019 0.000 2.338 582 E HA 0.455 4.769 4.350 -0.061 0.000 0.272 582 E C 0.871 177.368 176.600 -0.171 0.000 1.029 582 E CA 0.482 56.828 56.400 -0.090 0.000 0.872 582 E CB 0.504 29.917 29.700 -0.478 0.000 1.015 582 E HN 0.121 nan 8.360 nan 0.000 0.417 583 G N 3.799 112.500 108.800 -0.166 0.000 2.542 583 G HA2 0.563 4.486 3.960 -0.061 0.000 0.311 583 G HA3 0.563 4.486 3.960 -0.061 0.000 0.311 583 G C -1.078 173.672 174.900 -0.251 0.000 1.298 583 G CA -0.676 44.288 45.100 -0.226 0.000 0.973 583 G HN 0.496 nan 8.290 nan 0.000 0.487 584 R N 1.013 121.342 120.500 -0.286 0.000 2.621 584 R HA 0.430 4.733 4.340 -0.061 0.000 0.284 584 R C -1.217 174.927 176.300 -0.261 0.000 0.998 584 R CA -0.911 55.013 56.100 -0.293 0.000 0.895 584 R CB 2.432 32.588 30.300 -0.240 0.000 1.195 584 R HN 0.294 nan 8.270 nan 0.000 0.450 585 I N 3.596 124.013 120.570 -0.255 0.000 2.382 585 I HA 0.307 4.440 4.170 -0.061 0.000 0.286 585 I C -0.713 175.363 176.117 -0.068 0.000 1.002 585 I CA -0.877 60.354 61.300 -0.115 0.000 1.135 585 I CB 0.925 38.888 38.000 -0.061 0.000 1.288 585 I HN 0.522 nan 8.210 nan 0.000 0.448 586 Y N 6.142 126.524 120.300 0.136 0.000 2.361 586 Y HA 0.612 5.126 4.550 -0.061 0.000 0.332 586 Y C 0.363 176.444 175.900 0.301 0.000 1.101 586 Y CA -0.587 57.674 58.100 0.268 0.000 1.137 586 Y CB 1.881 40.607 38.460 0.442 0.000 1.207 586 Y HN 0.329 nan 8.280 nan 0.000 0.463 587 I N 1.837 122.620 120.570 0.356 0.000 2.498 587 I HA 0.339 4.472 4.170 -0.061 0.000 0.290 587 I C -0.615 175.515 176.117 0.021 0.000 1.032 587 I CA -0.725 60.694 61.300 0.198 0.000 1.073 587 I CB 2.120 40.191 38.000 0.118 0.000 1.251 587 I HN 0.508 nan 8.210 nan 0.000 0.426 588 S N 5.348 120.886 115.700 -0.270 0.000 2.475 588 S HA 0.543 4.976 4.470 -0.061 0.000 0.298 588 S C -0.559 173.893 174.600 -0.247 0.000 1.119 588 S CA -0.448 57.439 58.200 -0.521 0.000 1.085 588 S CB 1.389 63.747 63.200 -1.403 0.000 1.028 588 S HN 0.633 nan 8.310 nan 0.000 0.489 589 E N 0.000 120.105 120.200 -0.158 0.000 2.725 589 E HA 0.000 4.313 4.350 -0.061 0.000 0.291 589 E CA 0.000 56.356 56.400 -0.074 0.000 0.976 589 E CB 0.000 29.687 29.700 -0.022 0.000 0.812 589 E HN 0.000 nan 8.360 nan 0.000 0.440