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 2efx_1_B DATA FIRST_RESID 2 DATA SEQUENCE SDLNNAIQGI LDDHVARGVV GVSLALCLPG EETSLYQSGY ADKFNKMPMT DATA SEQUENCE GDHLFRIASC TKSFIATGLH LLVQDGTVDL DEPITRWFPD LPKAAQMPVR DATA SEQUENCE ILLNHRSGLP DFETSMPMIS DKSWTAQEIV DFSFRHGVQK EPWHGMEYSN DATA SEQUENCE TGYVLAGMII AHETGKPYSD HLRSRIFAPL GMKDTWVGTH ETFPIEREAR DATA SEQUENCE GYMHAAADDE NPQWDVSGAG DPVDGVWDST EWFPLSGANA AGDMVSTPRD DATA SEQUENCE IVKFLNALFD GRILDQKRLW EMKDNIKPAF FPGSNTVANG HGLLLMRYGS DATA SEQUENCE SELKGHLGQI PGHTSIMGRD EETGAALMLI QNSGAGDFES FYLKGVNEPV DATA SEQUENCE DRVLEAIKNS RS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.621 174.600 0.035 0.000 1.055 2 S CA 0.000 58.222 58.200 0.036 0.000 1.107 2 S CB 0.000 63.213 63.200 0.021 0.000 0.593 3 D N 1.522 121.937 120.400 0.025 0.000 2.162 3 D HA 0.101 4.742 4.640 0.001 0.000 0.205 3 D C 1.878 178.187 176.300 0.015 0.000 0.964 3 D CA 0.893 54.903 54.000 0.017 0.000 0.847 3 D CB -0.069 40.736 40.800 0.009 0.000 0.988 3 D HN 0.213 nan 8.370 nan 0.000 0.480 4 L N 0.695 121.928 121.223 0.017 0.000 2.093 4 L HA -0.061 4.279 4.340 0.001 0.000 0.208 4 L C 1.432 178.312 176.870 0.016 0.000 1.085 4 L CA 1.612 56.454 54.840 0.004 0.000 0.755 4 L CB -0.843 41.219 42.059 0.006 0.000 0.904 4 L HN -0.048 nan 8.230 nan 0.000 0.435 5 N N 0.124 118.877 118.700 0.089 0.000 2.205 5 N HA -0.210 4.531 4.740 0.001 0.000 0.186 5 N C 1.689 177.291 175.510 0.153 0.000 1.015 5 N CA 1.339 54.518 53.050 0.215 0.000 0.862 5 N CB -0.654 37.962 38.487 0.214 0.000 0.986 5 N HN 0.537 nan 8.380 nan 0.000 0.429 6 N N 0.583 119.325 118.700 0.069 0.000 2.290 6 N HA 0.019 4.760 4.740 0.001 0.000 0.179 6 N C 1.447 176.958 175.510 0.001 0.000 1.016 6 N CA 0.849 53.924 53.050 0.041 0.000 0.871 6 N CB 0.096 38.601 38.487 0.030 0.000 0.987 6 N HN 0.150 nan 8.380 nan 0.000 0.431 7 A N 1.594 124.401 122.820 -0.021 0.000 1.902 7 A HA -0.043 4.277 4.320 0.001 0.000 0.217 7 A C 2.351 179.878 177.584 -0.095 0.000 1.181 7 A CA 0.822 52.831 52.037 -0.048 0.000 0.623 7 A CB -0.592 18.379 19.000 -0.048 0.000 0.818 7 A HN 0.327 nan 8.150 nan 0.000 0.443 8 I N -1.022 119.449 120.570 -0.164 0.000 2.142 8 I HA -0.293 3.877 4.170 0.001 0.000 0.240 8 I C 2.785 178.746 176.117 -0.260 0.000 1.078 8 I CA 1.845 62.946 61.300 -0.331 0.000 1.343 8 I CB -0.411 37.158 38.000 -0.718 0.000 1.046 8 I HN 0.370 nan 8.210 nan 0.000 0.405 9 Q N 1.335 121.056 119.800 -0.131 0.000 2.096 9 Q HA -0.196 4.144 4.340 0.001 0.000 0.208 9 Q C 2.094 178.088 176.000 -0.010 0.000 0.993 9 Q CA 2.412 58.219 55.803 0.005 0.000 0.862 9 Q CB -0.903 27.893 28.738 0.097 0.000 0.915 9 Q HN 0.521 nan 8.270 nan 0.000 0.416 10 G N -0.013 108.777 108.800 -0.017 0.000 2.422 10 G HA2 -0.208 3.752 3.960 0.001 0.000 0.218 10 G HA3 -0.208 3.752 3.960 0.001 0.000 0.218 10 G C 1.457 176.350 174.900 -0.011 0.000 1.146 10 G CA 0.883 45.978 45.100 -0.007 0.000 0.769 10 G HN 0.428 nan 8.290 nan 0.000 0.547 11 I N 0.425 120.969 120.570 -0.043 0.000 2.179 11 I HA -0.160 4.010 4.170 0.001 0.000 0.242 11 I C 2.683 178.794 176.117 -0.011 0.000 1.088 11 I CA 0.823 62.095 61.300 -0.046 0.000 1.357 11 I CB -0.178 37.761 38.000 -0.102 0.000 1.051 11 I HN 0.146 nan 8.210 nan 0.000 0.409 12 L N -0.048 121.162 121.223 -0.023 0.000 2.056 12 L HA -0.200 4.140 4.340 0.001 0.000 0.207 12 L C 2.197 179.118 176.870 0.085 0.000 1.078 12 L CA 1.140 56.002 54.840 0.036 0.000 0.749 12 L CB -0.893 41.175 42.059 0.015 0.000 0.901 12 L HN 0.246 nan 8.230 nan 0.000 0.433 13 D N 0.383 120.813 120.400 0.050 0.000 2.104 13 D HA -0.194 4.446 4.640 0.001 0.000 0.194 13 D C 1.779 178.115 176.300 0.059 0.000 0.994 13 D CA 1.377 55.405 54.000 0.047 0.000 0.830 13 D CB -0.304 40.513 40.800 0.029 0.000 0.959 13 D HN 0.275 nan 8.370 nan 0.000 0.452 14 D N -0.618 119.818 120.400 0.060 0.000 2.144 14 D HA -0.148 4.492 4.640 0.001 0.000 0.199 14 D C 1.926 178.294 176.300 0.112 0.000 0.984 14 D CA 0.925 54.964 54.000 0.064 0.000 0.834 14 D CB -0.299 40.530 40.800 0.049 0.000 0.955 14 D HN 0.324 nan 8.370 nan 0.000 0.465 15 H N 0.149 119.241 119.070 0.037 0.000 2.326 15 H HA -0.011 4.545 4.556 0.001 0.000 0.301 15 H C 2.028 177.422 175.328 0.111 0.000 1.081 15 H CA 1.108 57.207 56.048 0.084 0.000 1.334 15 H CB -0.303 29.491 29.762 0.054 0.000 1.385 15 H HN -0.101 nan 8.280 nan 0.000 0.504 16 V N 0.637 120.596 119.914 0.074 0.000 2.332 16 V HA -0.283 3.837 4.120 0.001 0.000 0.248 16 V C 2.653 178.763 176.094 0.028 0.000 1.055 16 V CA 1.736 64.058 62.300 0.037 0.000 1.038 16 V CB -1.213 30.647 31.823 0.061 0.000 0.651 16 V HN 0.668 nan 8.190 nan 0.000 0.450 17 A N -0.277 122.559 122.820 0.027 0.000 2.019 17 A HA -0.200 4.121 4.320 0.001 0.000 0.219 17 A C 2.264 179.835 177.584 -0.022 0.000 1.164 17 A CA 1.387 53.431 52.037 0.011 0.000 0.644 17 A CB -0.487 18.519 19.000 0.010 0.000 0.805 17 A HN 0.542 nan 8.150 nan 0.000 0.449 18 R N -1.515 118.954 120.500 -0.052 0.000 2.316 18 R HA 0.106 4.447 4.340 0.001 0.000 0.202 18 R C 1.332 177.554 176.300 -0.131 0.000 1.029 18 R CA 0.650 56.655 56.100 -0.158 0.000 1.018 18 R CB -0.061 30.088 30.300 -0.251 0.000 0.888 18 R HN 0.674 nan 8.270 nan 0.000 0.471 19 G N -0.161 108.648 108.800 0.016 0.000 2.367 19 G HA2 -0.199 3.761 3.960 0.001 0.000 0.181 19 G HA3 -0.199 3.761 3.960 0.001 0.000 0.181 19 G C 0.083 175.131 174.900 0.248 0.000 1.000 19 G CA -0.484 44.709 45.100 0.156 0.000 0.693 19 G HN 0.072 nan 8.290 nan 0.000 0.480 20 V N 2.306 122.305 119.914 0.141 0.000 2.585 20 V HA 0.198 4.319 4.120 0.001 0.000 0.296 20 V C 2.100 178.285 176.094 0.151 0.000 1.035 20 V CA 0.509 62.879 62.300 0.116 0.000 1.084 20 V CB 1.419 33.163 31.823 -0.133 0.000 0.953 20 V HN 0.184 nan 8.190 nan 0.000 0.483 21 V N 4.522 124.569 119.914 0.221 0.000 2.261 21 V HA 0.053 4.173 4.120 0.001 0.000 0.246 21 V C 1.153 177.345 176.094 0.164 0.000 1.047 21 V CA 2.073 64.468 62.300 0.157 0.000 1.015 21 V CB -0.799 31.087 31.823 0.106 0.000 0.642 21 V HN 1.034 nan 8.190 nan 0.000 0.446 22 G N -1.802 107.107 108.800 0.182 0.000 2.677 22 G HA2 0.585 4.545 3.960 0.001 0.000 0.291 22 G HA3 0.585 4.545 3.960 0.001 0.000 0.291 22 G C -1.979 173.017 174.900 0.162 0.000 1.435 22 G CA -0.252 44.933 45.100 0.141 0.000 0.826 22 G HN 0.095 nan 8.290 nan 0.000 0.491 23 V N -0.318 119.672 119.914 0.128 0.000 2.808 23 V HA 0.777 4.898 4.120 0.001 0.000 0.308 23 V C -0.322 175.826 176.094 0.089 0.000 1.099 23 V CA -0.919 61.437 62.300 0.093 0.000 0.920 23 V CB 1.710 33.587 31.823 0.090 0.000 1.014 23 V HN 0.884 nan 8.190 nan 0.000 0.425 24 S N 3.404 119.121 115.700 0.028 0.000 2.519 24 S HA 0.850 5.320 4.470 0.001 0.000 0.309 24 S C -1.294 173.297 174.600 -0.016 0.000 1.100 24 S CA -0.435 57.805 58.200 0.067 0.000 1.059 24 S CB 1.248 64.578 63.200 0.217 0.000 1.008 24 S HN 0.768 nan 8.310 nan 0.000 0.478 25 L N 4.826 126.083 121.223 0.057 0.000 2.385 25 L HA 0.936 5.277 4.340 0.001 0.000 0.273 25 L C -0.673 176.262 176.870 0.109 0.000 0.990 25 L CA -0.221 54.651 54.840 0.053 0.000 0.821 25 L CB 1.677 43.768 42.059 0.053 0.000 1.279 25 L HN 0.711 nan 8.230 nan 0.000 0.412 26 A N 4.923 127.783 122.820 0.067 0.000 2.331 26 A HA 0.812 5.132 4.320 0.001 0.000 0.320 26 A C -1.661 175.964 177.584 0.068 0.000 1.138 26 A CA -0.483 51.599 52.037 0.075 0.000 0.790 26 A CB 1.275 20.308 19.000 0.055 0.000 1.206 26 A HN 0.847 nan 8.150 nan 0.000 0.470 27 L N 2.575 123.854 121.223 0.094 0.000 2.438 27 L HA 0.669 5.009 4.340 0.001 0.000 0.270 27 L C -1.274 175.629 176.870 0.055 0.000 0.972 27 L CA -0.183 54.697 54.840 0.067 0.000 0.831 27 L CB 1.624 43.741 42.059 0.095 0.000 1.273 27 L HN 0.782 nan 8.230 nan 0.000 0.405 28 C N 6.470 125.782 119.300 0.021 0.000 2.322 28 C HA 0.639 5.099 4.460 0.001 0.000 0.324 28 C C -0.121 174.867 174.990 -0.003 0.000 1.249 28 C CA -0.887 58.139 59.018 0.014 0.000 1.453 28 C CB -0.332 27.416 27.740 0.012 0.000 2.145 28 C HN 0.864 nan 8.230 nan 0.000 0.466 29 L N 7.935 129.159 121.223 0.002 0.000 2.417 29 L HA 0.388 4.729 4.340 0.001 0.000 0.268 29 L C -1.607 175.257 176.870 -0.010 0.000 1.158 29 L CA -1.353 53.482 54.840 -0.009 0.000 0.819 29 L CB 0.537 42.595 42.059 -0.002 0.000 1.112 29 L HN 0.505 nan 8.230 nan 0.000 0.458 30 P HA -0.027 nan 4.420 nan 0.000 0.265 30 P C 0.312 177.608 177.300 -0.006 0.000 1.193 30 P CA 0.301 63.393 63.100 -0.014 0.000 0.765 30 P CB 0.516 32.205 31.700 -0.018 0.000 0.823 31 G N 1.857 110.655 108.800 -0.002 0.000 2.363 31 G HA2 -0.228 3.732 3.960 0.001 0.000 0.286 31 G HA3 -0.228 3.732 3.960 0.001 0.000 0.286 31 G C -0.292 174.608 174.900 0.001 0.000 0.975 31 G CA 0.309 45.409 45.100 0.001 0.000 1.309 31 G HN 0.710 nan 8.290 nan 0.000 0.491 32 E N -0.859 119.343 120.200 0.003 0.000 2.417 32 E HA 0.276 4.626 4.350 0.001 0.000 0.280 32 E C -0.979 175.624 176.600 0.005 0.000 1.112 32 E CA -1.017 55.385 56.400 0.004 0.000 0.863 32 E CB 0.894 30.597 29.700 0.005 0.000 1.346 32 E HN 0.177 nan 8.360 nan 0.000 0.443 33 E N 1.035 121.237 120.200 0.004 0.000 2.249 33 E HA 0.222 4.573 4.350 0.001 0.000 0.280 33 E C -0.781 175.821 176.600 0.003 0.000 1.016 33 E CA -0.258 56.144 56.400 0.003 0.000 0.830 33 E CB 1.216 30.915 29.700 -0.003 0.000 1.081 33 E HN 0.410 nan 8.360 nan 0.000 0.395 34 T N 2.032 116.590 114.554 0.007 0.000 2.891 34 T HA 0.027 4.377 4.350 0.001 0.000 0.296 34 T C 0.298 174.992 174.700 -0.010 0.000 1.025 34 T CA 0.483 62.589 62.100 0.011 0.000 1.149 34 T CB 0.118 68.996 68.868 0.018 0.000 1.007 34 T HN 0.190 nan 8.240 nan 0.000 0.528 35 S N 2.874 118.574 115.700 0.000 0.000 2.462 35 S HA 0.515 4.986 4.470 0.001 0.000 0.294 35 S C -0.472 174.059 174.600 -0.116 0.000 1.144 35 S CA -0.840 57.311 58.200 -0.081 0.000 1.088 35 S CB 0.611 63.802 63.200 -0.015 0.000 1.009 35 S HN 0.350 nan 8.310 nan 0.000 0.484 36 L N 3.866 124.920 121.223 -0.282 0.000 2.307 36 L HA 0.573 4.914 4.340 0.001 0.000 0.284 36 L C -1.106 175.536 176.870 -0.380 0.000 1.023 36 L CA -0.353 54.380 54.840 -0.179 0.000 0.810 36 L CB 0.493 42.501 42.059 -0.086 0.000 1.231 36 L HN 0.626 nan 8.230 nan 0.000 0.423 37 Y N 1.657 121.959 120.300 0.003 0.000 2.442 37 Y HA 0.708 5.258 4.550 0.001 0.000 0.344 37 Y C -0.393 175.514 175.900 0.011 0.000 0.976 37 Y CA -1.071 57.030 58.100 0.001 0.000 1.040 37 Y CB 2.112 40.566 38.460 -0.011 0.000 1.228 37 Y HN 0.467 nan 8.280 nan 0.000 0.451 38 Q N 0.936 120.829 119.800 0.155 0.000 2.389 38 Q HA 0.738 5.079 4.340 0.001 0.000 0.277 38 Q C -1.159 174.880 176.000 0.064 0.000 1.082 38 Q CA -0.967 54.899 55.803 0.104 0.000 0.810 38 Q CB 2.666 31.459 28.738 0.091 0.000 1.374 38 Q HN 0.548 nan 8.270 nan 0.000 0.422 39 S N -0.076 115.647 115.700 0.037 0.000 2.570 39 S HA 0.873 5.343 4.470 0.001 0.000 0.286 39 S C -0.082 174.478 174.600 -0.067 0.000 1.099 39 S CA 0.392 58.585 58.200 -0.012 0.000 0.913 39 S CB 1.067 64.282 63.200 0.024 0.000 1.085 39 S HN 1.158 nan 8.310 nan 0.000 0.480 40 G N 2.242 110.924 108.800 -0.197 0.000 2.539 40 G HA2 -0.206 3.754 3.960 0.001 0.000 0.256 40 G HA3 -0.206 3.754 3.960 0.001 0.000 0.256 40 G C -1.478 173.041 174.900 -0.634 0.000 1.233 40 G CA 0.209 45.107 45.100 -0.336 0.000 0.936 40 G HN 0.853 nan 8.290 nan 0.000 0.571 41 Y N 0.160 120.466 120.300 0.009 0.000 2.376 41 Y HA 0.640 5.190 4.550 0.001 0.000 0.340 41 Y C 1.302 177.181 175.900 -0.035 0.000 0.965 41 Y CA 0.152 58.238 58.100 -0.024 0.000 1.078 41 Y CB 1.935 40.358 38.460 -0.061 0.000 1.193 41 Y HN 0.888 nan 8.280 nan 0.000 0.452 42 A N 0.976 123.774 122.820 -0.036 0.000 2.014 42 A HA -0.038 4.282 4.320 0.001 0.000 0.218 42 A C 0.248 177.854 177.584 0.036 0.000 1.163 42 A CA 1.492 53.395 52.037 -0.223 0.000 0.652 42 A CB -0.018 18.415 19.000 -0.945 0.000 0.808 42 A HN 0.633 nan 8.150 nan 0.000 0.449 43 D N -1.247 119.234 120.400 0.134 0.000 2.386 43 D HA 0.182 4.822 4.640 0.001 0.000 0.247 43 D C 0.579 176.912 176.300 0.056 0.000 1.336 43 D CA -0.411 53.700 54.000 0.186 0.000 0.976 43 D CB 1.068 41.950 40.800 0.137 0.000 1.257 43 D HN 0.146 nan 8.370 nan 0.000 0.570 44 K N 2.448 122.775 120.400 -0.123 0.000 2.103 44 K HA -0.135 4.185 4.320 0.001 0.000 0.207 44 K C 0.852 177.068 176.600 -0.641 0.000 1.048 44 K CA 1.424 57.338 56.287 -0.621 0.000 0.930 44 K CB 0.073 31.798 32.500 -1.291 0.000 0.716 44 K HN 0.280 nan 8.250 nan 0.000 0.444 45 F N 0.195 120.089 119.950 -0.093 0.000 2.446 45 F HA 0.131 4.658 4.527 0.001 0.000 0.292 45 F C 1.424 177.183 175.800 -0.068 0.000 1.096 45 F CA 0.565 58.513 58.000 -0.086 0.000 1.438 45 F CB -0.079 38.898 39.000 -0.039 0.000 1.107 45 F HN 0.050 nan 8.300 nan 0.000 0.546 46 N N 0.066 118.835 118.700 0.115 0.000 2.336 46 N HA -0.022 4.718 4.740 0.001 0.000 0.189 46 N C -0.116 175.401 175.510 0.012 0.000 1.113 46 N CA 0.061 53.151 53.050 0.066 0.000 0.858 46 N CB 0.158 38.697 38.487 0.088 0.000 0.970 46 N HN -0.193 nan 8.380 nan 0.000 0.471 47 K N 0.391 120.742 120.400 -0.082 0.000 3.071 47 K HA -0.163 4.157 4.320 0.001 0.000 0.265 47 K C -0.813 175.845 176.600 0.098 0.000 1.060 47 K CA 0.729 56.895 56.287 -0.202 0.000 0.767 47 K CB -1.385 30.986 32.500 -0.215 0.000 1.241 47 K HN 0.294 nan 8.250 nan 0.000 0.486 48 M N 1.303 121.009 119.600 0.177 0.000 2.146 48 M HA 0.192 4.673 4.480 0.001 0.000 0.352 48 M C -1.813 174.692 176.300 0.341 0.000 1.343 48 M CA -2.291 53.148 55.300 0.232 0.000 1.115 48 M CB 0.157 32.857 32.600 0.166 0.000 1.657 48 M HN -0.134 nan 8.290 nan 0.000 0.471 49 P HA 0.153 nan 4.420 nan 0.000 0.271 49 P C -0.483 176.834 177.300 0.028 0.000 1.218 49 P CA -0.489 62.616 63.100 0.009 0.000 0.780 49 P CB 0.597 32.285 31.700 -0.019 0.000 0.901 50 M N 3.213 122.761 119.600 -0.087 0.000 2.217 50 M HA 0.231 4.712 4.480 0.001 0.000 0.352 50 M C 0.080 176.483 176.300 0.173 0.000 1.376 50 M CA 0.740 56.040 55.300 0.000 0.000 1.107 50 M CB -0.134 32.466 32.600 -0.000 0.000 1.723 50 M HN 0.490 nan 8.290 nan 0.000 0.461 51 T N 1.184 116.001 114.554 0.439 0.000 2.910 51 T HA 0.672 5.023 4.350 0.001 0.000 0.287 51 T C 0.906 175.723 174.700 0.196 0.000 1.050 51 T CA -0.508 61.726 62.100 0.222 0.000 1.011 51 T CB 1.288 70.210 68.868 0.089 0.000 1.195 51 T HN 0.685 nan 8.240 nan 0.000 0.540 52 G N -0.384 108.473 108.800 0.094 0.000 2.625 52 G HA2 0.007 3.967 3.960 0.001 0.000 0.214 52 G HA3 0.007 3.967 3.960 0.001 0.000 0.214 52 G C 0.737 175.679 174.900 0.069 0.000 1.132 52 G CA 0.256 45.406 45.100 0.084 0.000 0.782 52 G HN 0.787 nan 8.290 nan 0.000 0.538 53 D N -0.606 119.799 120.400 0.009 0.000 2.389 53 D HA 0.051 4.691 4.640 0.001 0.000 0.206 53 D C 0.224 176.472 176.300 -0.087 0.000 1.055 53 D CA -0.176 53.797 54.000 -0.045 0.000 0.856 53 D CB 0.079 40.820 40.800 -0.098 0.000 0.957 53 D HN 0.282 nan 8.370 nan 0.000 0.509 54 H N 1.148 120.229 119.070 0.018 0.000 2.964 54 H HA 0.090 4.646 4.556 0.001 0.000 0.328 54 H C 0.761 176.009 175.328 -0.134 0.000 1.030 54 H CA 0.398 56.391 56.048 -0.092 0.000 1.445 54 H CB 0.982 30.627 29.762 -0.195 0.000 1.449 54 H HN 0.007 nan 8.280 nan 0.000 0.581 55 L N 3.959 125.157 121.223 -0.042 0.000 2.395 55 L HA 0.292 4.632 4.340 0.001 0.000 0.269 55 L C -0.123 176.565 176.870 -0.303 0.000 1.133 55 L CA -0.009 54.817 54.840 -0.024 0.000 0.812 55 L CB 0.367 42.475 42.059 0.081 0.000 1.125 55 L HN 0.364 nan 8.230 nan 0.000 0.452 56 F N -0.053 119.884 119.950 -0.022 0.000 2.588 56 F HA 0.484 5.011 4.527 0.001 0.000 0.314 56 F C 0.096 175.909 175.800 0.022 0.000 1.069 56 F CA -0.938 57.014 58.000 -0.081 0.000 0.931 56 F CB 1.639 40.471 39.000 -0.280 0.000 1.260 56 F HN 0.262 nan 8.300 nan 0.000 0.465 57 R N 2.737 123.514 120.500 0.462 0.000 2.296 57 R HA 0.272 4.612 4.340 0.001 0.000 0.323 57 R C 1.073 177.494 176.300 0.202 0.000 1.067 57 R CA -0.100 56.122 56.100 0.203 0.000 0.946 57 R CB 0.326 30.712 30.300 0.144 0.000 0.991 57 R HN 0.748 nan 8.270 nan 0.000 0.448 58 I N 0.300 120.919 120.570 0.082 0.000 3.684 58 I HA 0.217 4.387 4.170 0.001 0.000 0.304 58 I C 0.916 177.068 176.117 0.058 0.000 1.278 58 I CA 0.323 61.658 61.300 0.057 0.000 1.272 58 I CB -0.131 37.877 38.000 0.014 0.000 1.029 58 I HN 0.737 nan 8.210 nan 0.000 0.458 59 A N 1.829 124.692 122.820 0.073 0.000 5.479 59 A HA -0.356 3.964 4.320 0.001 0.000 0.301 59 A C 1.618 179.227 177.584 0.042 0.000 1.961 59 A CA 1.565 53.658 52.037 0.092 0.000 0.716 59 A CB -2.291 16.786 19.000 0.128 0.000 1.266 59 A HN 0.463 nan 8.150 nan 0.000 0.372 60 S N -0.986 114.735 115.700 0.035 0.000 2.537 60 S HA -0.086 4.384 4.470 0.001 0.000 0.240 60 S C 1.540 175.918 174.600 -0.370 0.000 0.981 60 S CA 1.274 59.419 58.200 -0.092 0.000 0.948 60 S CB -0.964 62.278 63.200 0.070 0.000 0.759 60 S HN 0.782 nan 8.310 nan 0.000 0.531 61 C N 1.256 120.467 119.300 -0.148 0.000 2.419 61 C HA -0.069 4.391 4.460 0.001 0.000 0.283 61 C C 2.733 177.733 174.990 0.016 0.000 1.373 61 C CA 0.772 59.748 59.018 -0.070 0.000 1.781 61 C CB -1.757 26.043 27.740 0.101 0.000 1.886 61 C HN 0.589 nan 8.230 nan 0.000 0.520 62 T N 1.015 115.557 114.554 -0.021 0.000 2.737 62 T HA -0.226 4.125 4.350 0.001 0.000 0.269 62 T C 1.799 176.506 174.700 0.013 0.000 1.040 62 T CA 1.438 63.554 62.100 0.027 0.000 1.142 62 T CB -0.203 68.658 68.868 -0.010 0.000 0.861 62 T HN 0.656 nan 8.240 nan 0.000 0.456 63 K N 0.913 121.155 120.400 -0.264 0.000 2.103 63 K HA -0.057 4.264 4.320 0.001 0.000 0.207 63 K C 2.741 179.259 176.600 -0.138 0.000 1.048 63 K CA 1.385 57.386 56.287 -0.477 0.000 0.930 63 K CB -0.195 31.639 32.500 -1.110 0.000 0.716 63 K HN 0.202 nan 8.250 nan 0.000 0.444 64 S N 0.771 116.427 115.700 -0.073 0.000 2.370 64 S HA -0.114 4.356 4.470 0.001 0.000 0.226 64 S C 1.721 176.327 174.600 0.010 0.000 1.033 64 S CA 1.331 59.572 58.200 0.068 0.000 1.011 64 S CB -0.301 62.959 63.200 0.100 0.000 0.852 64 S HN 0.200 nan 8.310 nan 0.000 0.457 65 F N 1.292 121.182 119.950 -0.100 0.000 2.146 65 F HA -0.012 4.515 4.527 0.000 0.000 0.298 65 F C 2.179 177.982 175.800 0.004 0.000 1.096 65 F CA 0.611 58.526 58.000 -0.142 0.000 1.275 65 F CB -0.381 38.510 39.000 -0.181 0.000 1.008 65 F HN 0.151 nan 8.300 nan 0.000 0.480 66 I N 0.231 120.927 120.570 0.210 0.000 2.226 66 I HA -0.266 3.904 4.170 0.001 0.000 0.245 66 I C 2.644 178.833 176.117 0.121 0.000 1.100 66 I CA 1.489 62.869 61.300 0.133 0.000 1.374 66 I CB -1.776 36.280 38.000 0.093 0.000 1.057 66 I HN 0.091 nan 8.210 nan 0.000 0.413 67 A N 0.495 123.428 122.820 0.187 0.000 1.902 67 A HA -0.189 4.132 4.320 0.001 0.000 0.217 67 A C 2.424 180.036 177.584 0.045 0.000 1.181 67 A CA 2.342 54.425 52.037 0.077 0.000 0.623 67 A CB -1.050 18.093 19.000 0.240 0.000 0.818 67 A HN 0.402 nan 8.150 nan 0.000 0.443 68 T N -0.096 114.577 114.554 0.198 0.000 2.684 68 T HA -0.082 4.268 4.350 0.001 0.000 0.267 68 T C 1.998 176.810 174.700 0.187 0.000 1.036 68 T CA 1.580 63.824 62.100 0.240 0.000 1.148 68 T CB -0.783 68.243 68.868 0.263 0.000 0.863 68 T HN 0.604 nan 8.240 nan 0.000 0.436 69 G N 1.367 110.269 108.800 0.170 0.000 2.476 69 G HA2 -0.199 3.762 3.960 0.001 0.000 0.218 69 G HA3 -0.199 3.762 3.960 0.001 0.000 0.218 69 G C 1.510 176.566 174.900 0.260 0.000 1.164 69 G CA 0.928 46.191 45.100 0.272 0.000 0.768 69 G HN 0.405 nan 8.290 nan 0.000 0.560 70 L N -0.093 121.149 121.223 0.033 0.000 2.072 70 L HA 0.071 4.411 4.340 0.001 0.000 0.205 70 L C 2.596 179.435 176.870 -0.052 0.000 1.079 70 L CA 1.556 56.338 54.840 -0.097 0.000 0.752 70 L CB -0.674 41.237 42.059 -0.246 0.000 0.906 70 L HN 0.260 nan 8.230 nan 0.000 0.436 71 H N -0.610 118.499 119.070 0.065 0.000 2.456 71 H HA -0.088 4.468 4.556 0.001 0.000 0.296 71 H C 2.316 177.686 175.328 0.070 0.000 1.079 71 H CA 1.635 57.717 56.048 0.056 0.000 1.322 71 H CB -0.201 29.591 29.762 0.051 0.000 1.388 71 H HN 0.345 nan 8.280 nan 0.000 0.538 72 L N 0.072 121.426 121.223 0.218 0.000 2.056 72 L HA -0.158 4.182 4.340 0.001 0.000 0.207 72 L C 2.470 179.438 176.870 0.162 0.000 1.078 72 L CA 0.747 55.692 54.840 0.176 0.000 0.749 72 L CB -0.351 41.814 42.059 0.176 0.000 0.901 72 L HN 0.178 nan 8.230 nan 0.000 0.433 73 L N -1.319 119.996 121.223 0.153 0.000 2.141 73 L HA -0.158 4.182 4.340 0.001 0.000 0.209 73 L C 2.470 179.394 176.870 0.091 0.000 1.094 73 L CA 0.534 55.429 54.840 0.092 0.000 0.763 73 L CB -0.549 41.517 42.059 0.013 0.000 0.908 73 L HN 0.060 nan 8.230 nan 0.000 0.437 74 V N 0.657 120.632 119.914 0.102 0.000 2.261 74 V HA -0.305 3.816 4.120 0.001 0.000 0.246 74 V C 2.621 178.773 176.094 0.096 0.000 1.047 74 V CA 2.240 64.606 62.300 0.110 0.000 1.015 74 V CB -0.766 31.146 31.823 0.148 0.000 0.642 74 V HN 0.663 nan 8.190 nan 0.000 0.446 75 Q N -0.429 119.429 119.800 0.098 0.000 2.224 75 Q HA -0.226 4.115 4.340 0.001 0.000 0.203 75 Q C 1.515 177.553 176.000 0.062 0.000 0.970 75 Q CA 1.767 57.612 55.803 0.070 0.000 0.865 75 Q CB -0.505 28.268 28.738 0.059 0.000 0.922 75 Q HN 0.484 nan 8.270 nan 0.000 0.445 76 D N 1.158 121.602 120.400 0.073 0.000 2.221 76 D HA -0.056 4.584 4.640 0.001 0.000 0.204 76 D C 1.181 177.516 176.300 0.058 0.000 0.982 76 D CA 1.770 55.809 54.000 0.066 0.000 0.857 76 D CB -0.233 40.613 40.800 0.078 0.000 0.934 76 D HN 0.616 nan 8.370 nan 0.000 0.475 77 G N -1.037 107.801 108.800 0.064 0.000 2.141 77 G HA2 -0.302 3.658 3.960 0.001 0.000 0.231 77 G HA3 -0.302 3.658 3.960 0.001 0.000 0.231 77 G C 1.212 176.154 174.900 0.069 0.000 0.984 77 G CA 0.792 45.928 45.100 0.059 0.000 0.660 77 G HN 0.348 nan 8.290 nan 0.000 0.525 78 T N -0.678 113.926 114.554 0.083 0.000 3.009 78 T HA 0.372 4.723 4.350 0.001 0.000 0.258 78 T C 0.899 175.692 174.700 0.155 0.000 1.063 78 T CA 1.286 63.448 62.100 0.103 0.000 1.139 78 T CB 0.574 69.500 68.868 0.096 0.000 0.890 78 T HN 0.412 nan 8.240 nan 0.000 0.471 79 V N 1.808 121.812 119.914 0.149 0.000 2.735 79 V HA 0.446 4.566 4.120 0.001 0.000 0.310 79 V C -1.000 175.184 176.094 0.151 0.000 1.061 79 V CA -1.316 61.103 62.300 0.199 0.000 0.913 79 V CB 2.289 34.188 31.823 0.127 0.000 1.005 79 V HN 0.195 nan 8.190 nan 0.000 0.428 80 D N 2.734 123.238 120.400 0.174 0.000 2.217 80 D HA 0.373 5.013 4.640 0.001 0.000 0.243 80 D C 0.790 177.169 176.300 0.133 0.000 1.054 80 D CA -0.423 53.655 54.000 0.130 0.000 0.838 80 D CB 2.227 43.093 40.800 0.110 0.000 1.162 80 D HN 0.434 nan 8.370 nan 0.000 0.472 81 L N 2.291 123.578 121.223 0.108 0.000 2.353 81 L HA -0.083 4.257 4.340 0.001 0.000 0.220 81 L C 1.107 178.050 176.870 0.122 0.000 1.133 81 L CA 0.867 55.765 54.840 0.098 0.000 0.798 81 L CB 0.035 42.137 42.059 0.073 0.000 0.922 81 L HN 0.363 nan 8.230 nan 0.000 0.445 82 D N -0.629 119.847 120.400 0.126 0.000 2.398 82 D HA 0.020 4.660 4.640 0.001 0.000 0.210 82 D C 0.535 176.918 176.300 0.139 0.000 1.094 82 D CA 0.069 54.152 54.000 0.139 0.000 0.839 82 D CB 0.414 41.283 40.800 0.115 0.000 0.963 82 D HN 0.520 nan 8.370 nan 0.000 0.506 83 E N 2.445 122.731 120.200 0.145 0.000 2.354 83 E HA 0.220 4.571 4.350 0.001 0.000 0.269 83 E C -2.479 174.226 176.600 0.175 0.000 1.036 83 E CA -1.724 54.758 56.400 0.137 0.000 0.876 83 E CB 0.703 30.477 29.700 0.122 0.000 1.009 83 E HN -0.150 nan 8.360 nan 0.000 0.416 84 P HA -0.022 nan 4.420 nan 0.000 0.271 84 P C 0.825 178.250 177.300 0.208 0.000 1.216 84 P CA -0.019 63.173 63.100 0.153 0.000 0.776 84 P CB 0.592 32.350 31.700 0.098 0.000 0.881 85 I N 0.005 120.746 120.570 0.285 0.000 3.444 85 I HA -0.096 4.075 4.170 0.001 0.000 0.287 85 I C 1.533 177.848 176.117 0.329 0.000 1.302 85 I CA 0.761 62.341 61.300 0.468 0.000 1.368 85 I CB -1.375 36.922 38.000 0.495 0.000 1.048 85 I HN 0.223 nan 8.210 nan 0.000 0.487 86 T N -0.337 114.311 114.554 0.158 0.000 2.802 86 T HA -0.282 4.068 4.350 0.001 0.000 0.269 86 T C 1.952 176.583 174.700 -0.115 0.000 1.062 86 T CA 1.700 63.831 62.100 0.052 0.000 1.133 86 T CB -0.664 68.215 68.868 0.019 0.000 0.852 86 T HN 0.544 nan 8.240 nan 0.000 0.485 87 R N -0.425 119.902 120.500 -0.288 0.000 2.139 87 R HA -0.110 4.230 4.340 0.001 0.000 0.243 87 R C 1.868 177.665 176.300 -0.838 0.000 1.145 87 R CA 1.950 57.631 56.100 -0.698 0.000 0.976 87 R CB -0.179 29.360 30.300 -1.268 0.000 0.866 87 R HN 0.617 nan 8.270 nan 0.000 0.449 88 W N -1.690 119.323 121.300 -0.478 0.000 2.866 88 W HA 0.189 4.849 4.660 0.001 0.000 0.258 88 W C -0.219 175.788 176.519 -0.854 0.000 1.183 88 W CA -0.230 56.591 57.345 -0.873 0.000 1.451 88 W CB 0.386 28.991 29.460 -1.425 0.000 0.959 88 W HN -0.089 nan 8.180 nan 0.000 0.622 89 F N 1.602 121.653 119.950 0.168 0.000 2.584 89 F HA 0.323 4.850 4.527 0.000 0.000 0.328 89 F C -1.694 174.128 175.800 0.036 0.000 1.407 89 F CA -2.701 55.354 58.000 0.091 0.000 1.145 89 F CB -0.300 38.767 39.000 0.112 0.000 1.440 89 F HN -0.308 nan 8.300 nan 0.000 0.580 90 P HA -0.082 nan 4.420 nan 0.000 0.223 90 P C 0.494 177.821 177.300 0.045 0.000 1.151 90 P CA 1.333 64.458 63.100 0.041 0.000 0.787 90 P CB 0.547 32.239 31.700 -0.013 0.000 0.788 91 D N -0.779 119.651 120.400 0.050 0.000 2.379 91 D HA 0.083 4.724 4.640 0.001 0.000 0.208 91 D C 0.903 177.182 176.300 -0.036 0.000 1.065 91 D CA -0.177 53.826 54.000 0.004 0.000 0.848 91 D CB 0.184 40.979 40.800 -0.009 0.000 0.949 91 D HN 0.195 nan 8.370 nan 0.000 0.509 92 L N 2.620 123.842 121.223 -0.003 0.000 2.513 92 L HA 0.149 4.489 4.340 0.001 0.000 0.272 92 L C -2.280 174.567 176.870 -0.038 0.000 1.187 92 L CA -1.113 53.674 54.840 -0.088 0.000 0.895 92 L CB 0.582 42.645 42.059 0.008 0.000 1.147 92 L HN -0.296 nan 8.230 nan 0.000 0.483 93 P HA 0.005 nan 4.420 nan 0.000 0.264 93 P C -0.574 176.787 177.300 0.102 0.000 1.193 93 P CA 0.198 63.313 63.100 0.025 0.000 0.763 93 P CB 0.358 32.093 31.700 0.058 0.000 0.810 94 K N 1.143 121.594 120.400 0.085 0.000 3.472 94 K HA -0.287 4.033 4.320 0.001 0.000 0.315 94 K C 1.204 177.864 176.600 0.100 0.000 1.320 94 K CA 0.856 57.199 56.287 0.092 0.000 0.962 94 K CB -2.230 30.327 32.500 0.096 0.000 1.251 94 K HN 0.512 nan 8.250 nan 0.000 0.443 95 A N 1.080 123.965 122.820 0.107 0.000 1.978 95 A HA -0.026 4.294 4.320 0.001 0.000 0.220 95 A C 2.447 180.106 177.584 0.125 0.000 1.170 95 A CA 2.037 54.155 52.037 0.135 0.000 0.636 95 A CB -0.463 18.639 19.000 0.171 0.000 0.810 95 A HN 0.582 nan 8.150 nan 0.000 0.448 96 A N -0.767 122.113 122.820 0.099 0.000 2.019 96 A HA -0.182 4.138 4.320 0.001 0.000 0.219 96 A C 1.917 179.567 177.584 0.111 0.000 1.164 96 A CA 1.554 53.645 52.037 0.091 0.000 0.644 96 A CB -0.389 18.652 19.000 0.068 0.000 0.805 96 A HN 0.672 nan 8.150 nan 0.000 0.449 97 Q N -1.190 118.681 119.800 0.119 0.000 2.280 97 Q HA 0.318 4.659 4.340 0.001 0.000 0.202 97 Q C -0.441 175.658 176.000 0.164 0.000 0.903 97 Q CA -0.016 55.878 55.803 0.152 0.000 0.948 97 Q CB 0.223 29.050 28.738 0.149 0.000 1.058 97 Q HN 0.602 nan 8.270 nan 0.000 0.493 98 M N 2.530 122.209 119.600 0.132 0.000 2.023 98 M HA 0.346 4.826 4.480 0.001 0.000 0.325 98 M C -2.459 173.925 176.300 0.140 0.000 0.963 98 M CA -2.136 53.219 55.300 0.092 0.000 0.928 98 M CB 1.498 34.131 32.600 0.056 0.000 1.429 98 M HN -0.185 nan 8.290 nan 0.000 0.404 99 P HA 0.076 nan 4.420 nan 0.000 0.272 99 P C 0.865 178.248 177.300 0.139 0.000 1.230 99 P CA -0.341 62.876 63.100 0.195 0.000 0.788 99 P CB 1.125 32.990 31.700 0.275 0.000 0.949 100 V N 2.652 122.653 119.914 0.146 0.000 2.324 100 V HA -0.293 3.827 4.120 0.001 0.000 0.250 100 V C 2.795 178.897 176.094 0.014 0.000 1.060 100 V CA 2.723 65.065 62.300 0.070 0.000 1.042 100 V CB -1.338 30.523 31.823 0.064 0.000 0.650 100 V HN 0.687 nan 8.190 nan 0.000 0.450 101 R N 0.527 121.076 120.500 0.081 0.000 2.170 101 R HA -0.172 4.168 4.340 0.001 0.000 0.242 101 R C 2.171 178.524 176.300 0.089 0.000 1.145 101 R CA 2.176 58.358 56.100 0.136 0.000 0.984 101 R CB -0.777 29.651 30.300 0.214 0.000 0.869 101 R HN 0.476 nan 8.270 nan 0.000 0.455 102 I N 1.149 121.697 120.570 -0.035 0.000 2.756 102 I HA -0.143 4.027 4.170 0.001 0.000 0.262 102 I C 1.776 177.731 176.117 -0.270 0.000 1.225 102 I CA 0.732 61.869 61.300 -0.271 0.000 1.472 102 I CB 0.109 37.828 38.000 -0.468 0.000 1.094 102 I HN 0.266 nan 8.210 nan 0.000 0.454 103 L N -0.134 120.951 121.223 -0.229 0.000 2.275 103 L HA -0.155 4.185 4.340 0.001 0.000 0.215 103 L C 1.912 178.431 176.870 -0.585 0.000 1.119 103 L CA 0.998 55.636 54.840 -0.336 0.000 0.790 103 L CB -0.250 41.629 42.059 -0.299 0.000 0.919 103 L HN 0.301 nan 8.230 nan 0.000 0.443 104 L N -0.316 120.620 121.223 -0.479 0.000 2.638 104 L HA 0.079 4.419 4.340 0.001 0.000 0.232 104 L C 1.351 177.997 176.870 -0.373 0.000 1.099 104 L CA 0.021 54.536 54.840 -0.541 0.000 0.883 104 L CB -0.070 41.861 42.059 -0.213 0.000 1.136 104 L HN 0.352 nan 8.230 nan 0.000 0.492 105 N N -2.071 116.405 118.700 -0.374 0.000 2.187 105 N HA -0.076 4.664 4.740 0.001 0.000 0.212 105 N C 0.337 175.727 175.510 -0.200 0.000 1.152 105 N CA -0.260 52.596 53.050 -0.323 0.000 0.872 105 N CB -0.068 38.230 38.487 -0.315 0.000 1.025 105 N HN 0.146 nan 8.380 nan 0.000 0.514 106 H N -0.139 118.873 119.070 -0.097 0.000 2.903 106 H HA -0.105 4.451 4.556 0.001 0.000 0.285 106 H C -0.146 175.131 175.328 -0.085 0.000 1.231 106 H CA 0.866 56.871 56.048 -0.073 0.000 1.135 106 H CB -1.577 28.169 29.762 -0.026 0.000 1.328 106 H HN 0.520 nan 8.280 nan 0.000 0.388 107 R N -0.216 120.211 120.500 -0.122 0.000 2.566 107 R HA 0.105 4.445 4.340 0.001 0.000 0.388 107 R C 1.708 177.826 176.300 -0.303 0.000 0.989 107 R CA 0.751 56.723 56.100 -0.214 0.000 1.164 107 R CB 0.644 30.818 30.300 -0.211 0.000 1.459 107 R HN 0.273 nan 8.270 nan 0.000 0.553 108 S N -0.563 115.003 115.700 -0.222 0.000 2.461 108 S HA 0.007 4.478 4.470 0.001 0.000 0.228 108 S C 1.621 176.193 174.600 -0.046 0.000 1.005 108 S CA 0.817 58.889 58.200 -0.214 0.000 0.942 108 S CB 0.161 63.259 63.200 -0.170 0.000 0.776 108 S HN 0.426 nan 8.310 nan 0.000 0.514 109 G N 1.114 109.972 108.800 0.096 0.000 2.166 109 G HA2 -0.262 3.698 3.960 0.001 0.000 0.260 109 G HA3 -0.262 3.698 3.960 0.001 0.000 0.260 109 G C 0.014 174.866 174.900 -0.081 0.000 0.986 109 G CA 0.433 45.536 45.100 0.004 0.000 0.683 109 G HN 0.577 nan 8.290 nan 0.000 0.527 110 L N 2.011 123.194 121.223 -0.068 0.000 2.514 110 L HA 0.238 4.578 4.340 0.001 0.000 0.280 110 L C -1.005 175.752 176.870 -0.188 0.000 1.223 110 L CA -1.337 53.425 54.840 -0.130 0.000 0.864 110 L CB 0.294 42.296 42.059 -0.095 0.000 1.118 110 L HN 0.040 nan 8.230 nan 0.000 0.494 111 P HA 0.047 nan 4.420 nan 0.000 0.271 111 P C -1.136 176.057 177.300 -0.179 0.000 1.220 111 P CA -0.180 62.730 63.100 -0.316 0.000 0.768 111 P CB 0.948 32.304 31.700 -0.573 0.000 0.848 112 D N 1.551 121.904 120.400 -0.077 0.000 2.229 112 D HA 0.308 4.949 4.640 0.001 0.000 0.249 112 D C 0.794 177.152 176.300 0.097 0.000 1.027 112 D CA -0.498 53.480 54.000 -0.037 0.000 0.923 112 D CB 0.553 41.295 40.800 -0.095 0.000 1.174 112 D HN 0.336 nan 8.370 nan 0.000 0.443 113 F N 0.099 120.143 119.950 0.157 0.000 2.714 113 F HA 0.343 4.871 4.527 0.000 0.000 0.294 113 F C 1.719 177.653 175.800 0.223 0.000 1.120 113 F CA -0.235 57.944 58.000 0.299 0.000 1.398 113 F CB -0.325 38.828 39.000 0.255 0.000 1.120 113 F HN 0.349 nan 8.300 nan 0.000 0.589 114 E N 0.832 120.888 120.200 -0.240 0.000 2.077 114 E HA -0.215 4.135 4.350 0.001 0.000 0.193 114 E C 1.997 178.662 176.600 0.109 0.000 0.989 114 E CA 1.665 58.011 56.400 -0.091 0.000 0.800 114 E CB -0.245 29.362 29.700 -0.154 0.000 0.746 114 E HN 0.421 nan 8.360 nan 0.000 0.452 115 T N -0.813 113.794 114.554 0.088 0.000 2.915 115 T HA -0.049 4.302 4.350 0.001 0.000 0.269 115 T C 1.638 176.417 174.700 0.131 0.000 1.071 115 T CA 1.641 63.794 62.100 0.088 0.000 1.132 115 T CB 0.029 68.922 68.868 0.043 0.000 0.878 115 T HN 0.039 nan 8.240 nan 0.000 0.479 116 S N 0.253 116.084 115.700 0.218 0.000 2.502 116 S HA 0.339 4.810 4.470 0.001 0.000 0.215 116 S C 0.487 175.300 174.600 0.354 0.000 1.009 116 S CA -0.404 57.930 58.200 0.224 0.000 0.908 116 S CB -0.021 63.237 63.200 0.097 0.000 0.801 116 S HN 0.500 nan 8.310 nan 0.000 0.505 117 M N 4.901 124.679 119.600 0.298 0.000 2.327 117 M HA 0.157 4.637 4.480 0.001 0.000 0.353 117 M C -2.704 173.629 176.300 0.056 0.000 1.539 117 M CA -2.080 53.207 55.300 -0.021 0.000 1.039 117 M CB -0.136 32.401 32.600 -0.106 0.000 1.967 117 M HN -0.154 nan 8.290 nan 0.000 0.459 118 P HA 0.021 nan 4.420 nan 0.000 0.271 118 P C 0.185 177.551 177.300 0.110 0.000 1.233 118 P CA 0.105 63.272 63.100 0.111 0.000 0.764 118 P CB 0.242 32.037 31.700 0.159 0.000 0.825 119 M N 2.903 122.478 119.600 -0.042 0.000 2.447 119 M HA 0.140 4.621 4.480 0.001 0.000 0.264 119 M C 0.039 176.356 176.300 0.029 0.000 1.095 119 M CA 1.385 56.602 55.300 -0.139 0.000 1.125 119 M CB -0.028 32.349 32.600 -0.371 0.000 1.389 119 M HN 0.029 nan 8.290 nan 0.000 0.459 120 I N 1.632 122.140 120.570 -0.103 0.000 2.337 120 I HA 0.367 4.537 4.170 0.001 0.000 0.285 120 I C -0.448 175.651 176.117 -0.031 0.000 1.041 120 I CA -0.526 60.675 61.300 -0.165 0.000 1.199 120 I CB 1.348 39.032 38.000 -0.526 0.000 1.370 120 I HN 0.198 nan 8.210 nan 0.000 0.470 121 S N 3.699 119.434 115.700 0.057 0.000 2.537 121 S HA 0.333 4.804 4.470 0.001 0.000 0.271 121 S C -0.535 174.086 174.600 0.036 0.000 1.148 121 S CA -0.659 57.581 58.200 0.068 0.000 0.868 121 S CB 1.624 64.932 63.200 0.180 0.000 1.115 121 S HN 0.589 nan 8.310 nan 0.000 0.461 122 D N 1.635 122.033 120.400 -0.003 0.000 2.395 122 D HA 0.112 4.753 4.640 0.001 0.000 0.213 122 D C 0.115 176.375 176.300 -0.066 0.000 1.110 122 D CA -0.071 53.911 54.000 -0.030 0.000 0.835 122 D CB 0.432 41.210 40.800 -0.036 0.000 0.965 122 D HN 0.417 nan 8.370 nan 0.000 0.505 123 K N 1.499 121.848 120.400 -0.084 0.000 2.412 123 K HA 0.060 4.380 4.320 0.001 0.000 0.281 123 K C 0.006 176.478 176.600 -0.214 0.000 1.027 123 K CA 0.032 56.178 56.287 -0.235 0.000 0.989 123 K CB 0.693 32.905 32.500 -0.480 0.000 0.935 123 K HN -0.217 nan 8.250 nan 0.000 0.475 124 S N 4.520 120.080 115.700 -0.233 0.000 2.465 124 S HA 0.271 4.741 4.470 0.001 0.000 0.279 124 S C -1.227 173.253 174.600 -0.201 0.000 1.201 124 S CA -0.785 57.332 58.200 -0.139 0.000 1.053 124 S CB 0.135 63.274 63.200 -0.103 0.000 0.953 124 S HN 0.483 nan 8.310 nan 0.000 0.488 125 W N 2.699 123.922 121.300 -0.127 0.000 2.512 125 W HA 0.456 5.116 4.660 0.000 0.000 0.335 125 W C 0.702 177.171 176.519 -0.083 0.000 1.088 125 W CA -0.574 56.704 57.345 -0.111 0.000 1.236 125 W CB 1.125 30.488 29.460 -0.162 0.000 1.307 125 W HN 0.380 nan 8.180 nan 0.000 0.567 126 T N 1.361 116.035 114.554 0.199 0.000 2.929 126 T HA 0.396 4.746 4.350 0.001 0.000 0.284 126 T C 1.127 175.927 174.700 0.167 0.000 1.014 126 T CA -0.010 62.179 62.100 0.147 0.000 1.051 126 T CB 1.533 70.466 68.868 0.108 0.000 1.028 126 T HN 0.547 nan 8.240 nan 0.000 0.485 127 A N 1.909 124.821 122.820 0.153 0.000 1.908 127 A HA -0.135 4.185 4.320 0.001 0.000 0.218 127 A C 2.156 179.811 177.584 0.118 0.000 1.181 127 A CA 1.784 53.902 52.037 0.134 0.000 0.627 127 A CB -0.679 18.441 19.000 0.199 0.000 0.818 127 A HN 0.718 nan 8.150 nan 0.000 0.445 128 Q N 0.034 119.918 119.800 0.140 0.000 2.079 128 Q HA -0.144 4.196 4.340 0.001 0.000 0.200 128 Q C 1.843 177.938 176.000 0.157 0.000 0.974 128 Q CA 2.097 57.981 55.803 0.135 0.000 0.840 128 Q CB -0.382 28.433 28.738 0.129 0.000 0.898 128 Q HN 0.751 nan 8.270 nan 0.000 0.430 129 E N -0.405 119.907 120.200 0.186 0.000 2.085 129 E HA -0.193 4.157 4.350 0.001 0.000 0.194 129 E C 1.944 178.758 176.600 0.357 0.000 0.994 129 E CA 1.378 57.943 56.400 0.275 0.000 0.801 129 E CB -0.171 29.706 29.700 0.296 0.000 0.743 129 E HN 0.436 nan 8.360 nan 0.000 0.453 130 I N 0.257 120.945 120.570 0.196 0.000 2.252 130 I HA -0.238 3.932 4.170 0.001 0.000 0.245 130 I C 2.313 178.465 176.117 0.058 0.000 1.102 130 I CA 0.593 61.842 61.300 -0.084 0.000 1.385 130 I CB -0.103 37.616 38.000 -0.467 0.000 1.064 130 I HN -0.022 nan 8.210 nan 0.000 0.414 131 V N 0.854 120.839 119.914 0.118 0.000 2.255 131 V HA -0.327 3.793 4.120 0.001 0.000 0.247 131 V C 2.105 178.415 176.094 0.361 0.000 1.051 131 V CA 2.124 64.558 62.300 0.223 0.000 1.018 131 V CB -0.695 31.210 31.823 0.138 0.000 0.641 131 V HN 0.410 nan 8.190 nan 0.000 0.445 132 D N -0.594 119.976 120.400 0.283 0.000 2.123 132 D HA -0.210 4.430 4.640 0.001 0.000 0.196 132 D C 1.906 178.401 176.300 0.324 0.000 0.992 132 D CA 1.480 55.643 54.000 0.271 0.000 0.833 132 D CB -0.402 40.517 40.800 0.199 0.000 0.954 132 D HN 0.471 nan 8.370 nan 0.000 0.455 133 F N 1.776 121.876 119.950 0.250 0.000 2.126 133 F HA -0.245 4.283 4.527 0.001 0.000 0.299 133 F C 2.439 178.421 175.800 0.304 0.000 1.096 133 F CA 1.449 59.642 58.000 0.323 0.000 1.255 133 F CB -0.021 39.184 39.000 0.341 0.000 0.997 133 F HN -0.154 nan 8.300 nan 0.000 0.479 134 S N -0.005 115.993 115.700 0.497 0.000 2.382 134 S HA -0.189 4.281 4.470 0.001 0.000 0.228 134 S C 1.738 176.348 174.600 0.016 0.000 1.027 134 S CA 1.499 59.883 58.200 0.306 0.000 0.991 134 S CB -0.679 62.669 63.200 0.246 0.000 0.823 134 S HN 0.374 nan 8.310 nan 0.000 0.469 135 F N 1.142 121.138 119.950 0.078 0.000 2.335 135 F HA 0.198 4.726 4.527 0.001 0.000 0.296 135 F C 2.450 178.200 175.800 -0.083 0.000 1.091 135 F CA 0.382 58.385 58.000 0.005 0.000 1.399 135 F CB -0.142 38.864 39.000 0.010 0.000 1.067 135 F HN 0.010 nan 8.300 nan 0.000 0.520 136 R N -0.602 119.887 120.500 -0.019 0.000 2.073 136 R HA -0.142 4.198 4.340 0.001 0.000 0.234 136 R C 1.802 177.795 176.300 -0.511 0.000 1.134 136 R CA 1.747 57.643 56.100 -0.341 0.000 0.952 136 R CB -0.189 29.762 30.300 -0.581 0.000 0.850 136 R HN 0.308 nan 8.270 nan 0.000 0.433 137 H N -2.135 116.824 119.070 -0.185 0.000 2.788 137 H HA 0.246 4.802 4.556 0.001 0.000 0.262 137 H C 0.784 176.059 175.328 -0.088 0.000 0.968 137 H CA 0.645 56.577 56.048 -0.193 0.000 1.218 137 H CB 0.459 29.983 29.762 -0.396 0.000 1.443 137 H HN 0.242 nan 8.280 nan 0.000 0.478 138 G N 0.864 109.675 108.800 0.019 0.000 2.531 138 G HA2 0.450 4.410 3.960 0.001 0.000 0.313 138 G HA3 0.450 4.410 3.960 0.001 0.000 0.313 138 G C -0.691 174.166 174.900 -0.072 0.000 1.238 138 G CA -0.326 44.766 45.100 -0.013 0.000 0.994 138 G HN 0.009 nan 8.290 nan 0.000 0.493 139 V N 0.190 120.054 119.914 -0.082 0.000 2.448 139 V HA 0.354 4.474 4.120 0.001 0.000 0.295 139 V C 0.033 176.049 176.094 -0.131 0.000 1.025 139 V CA -0.650 61.597 62.300 -0.088 0.000 0.859 139 V CB 1.260 33.046 31.823 -0.061 0.000 0.988 139 V HN 0.796 nan 8.190 nan 0.000 0.431 140 Q N 4.353 124.079 119.800 -0.123 0.000 2.286 140 Q HA 0.420 4.760 4.340 0.001 0.000 0.257 140 Q C -0.458 175.478 176.000 -0.106 0.000 0.941 140 Q CA -0.229 55.503 55.803 -0.119 0.000 0.912 140 Q CB 0.965 29.679 28.738 -0.041 0.000 1.192 140 Q HN 0.700 nan 8.270 nan 0.000 0.410 141 K N 2.073 122.373 120.400 -0.165 0.000 2.354 141 K HA 0.375 4.695 4.320 0.001 0.000 0.238 141 K C -0.704 175.839 176.600 -0.095 0.000 1.068 141 K CA -1.070 55.093 56.287 -0.208 0.000 0.925 141 K CB 0.800 32.978 32.500 -0.536 0.000 1.286 141 K HN 0.519 nan 8.250 nan 0.000 0.500 142 E N 2.025 122.209 120.200 -0.028 0.000 2.354 142 E HA 0.153 4.503 4.350 0.001 0.000 0.269 142 E C -2.382 174.300 176.600 0.137 0.000 1.036 142 E CA -2.144 54.302 56.400 0.076 0.000 0.876 142 E CB 0.139 29.909 29.700 0.116 0.000 1.009 142 E HN 0.212 nan 8.360 nan 0.000 0.416 143 P HA -0.116 nan 4.420 nan 0.000 0.264 143 P C -0.517 176.872 177.300 0.147 0.000 1.183 143 P CA 0.486 63.582 63.100 -0.007 0.000 0.763 143 P CB 0.085 31.762 31.700 -0.038 0.000 0.807 144 W N -0.212 121.155 121.300 0.112 0.000 2.829 144 W HA -0.259 4.401 4.660 0.000 0.000 0.293 144 W C 1.482 178.000 176.519 -0.003 0.000 1.133 144 W CA 0.891 58.254 57.345 0.030 0.000 0.572 144 W CB -2.986 26.497 29.460 0.039 0.000 2.175 144 W HN 0.672 nan 8.180 nan 0.000 1.311 145 H N -0.772 118.394 119.070 0.160 0.000 2.421 145 H HA 0.368 4.925 4.556 0.001 0.000 0.298 145 H C 1.501 176.890 175.328 0.102 0.000 1.087 145 H CA 1.687 57.802 56.048 0.111 0.000 1.330 145 H CB -0.152 29.646 29.762 0.059 0.000 1.388 145 H HN 0.287 nan 8.280 nan 0.000 0.526 146 G N -0.656 107.720 108.800 -0.707 0.000 2.343 146 G HA2 0.176 4.136 3.960 0.001 0.000 0.289 146 G HA3 0.176 4.136 3.960 0.001 0.000 0.289 146 G C -1.567 173.021 174.900 -0.521 0.000 1.295 146 G CA -0.448 44.408 45.100 -0.407 0.000 0.869 146 G HN 0.276 nan 8.290 nan 0.000 0.522 147 M N 1.242 120.734 119.600 -0.180 0.000 2.146 147 M HA 0.599 5.079 4.480 0.001 0.000 0.357 147 M C -0.512 175.816 176.300 0.047 0.000 1.261 147 M CA 0.044 55.316 55.300 -0.048 0.000 1.106 147 M CB 0.607 33.236 32.600 0.048 0.000 1.612 147 M HN 0.696 nan 8.290 nan 0.000 0.470 148 E N 4.629 124.908 120.200 0.132 0.000 2.274 148 E HA 0.161 4.511 4.350 0.001 0.000 0.269 148 E C -1.869 174.856 176.600 0.208 0.000 0.891 148 E CA -0.606 55.916 56.400 0.204 0.000 0.784 148 E CB 1.427 31.292 29.700 0.275 0.000 1.225 148 E HN 0.633 nan 8.360 nan 0.000 0.412 149 Y N 3.379 123.687 120.300 0.013 0.000 2.852 149 Y HA -0.025 4.526 4.550 0.001 0.000 0.343 149 Y C -0.247 175.730 175.900 0.127 0.000 1.280 149 Y CA 1.148 59.222 58.100 -0.043 0.000 1.604 149 Y CB 0.557 38.947 38.460 -0.117 0.000 1.216 149 Y HN 0.318 nan 8.280 nan 0.000 0.541 150 S N 6.200 121.966 115.700 0.110 0.000 2.669 150 S HA 0.305 4.776 4.470 0.001 0.000 0.315 150 S C 0.482 175.105 174.600 0.038 0.000 1.106 150 S CA -0.918 57.330 58.200 0.081 0.000 1.107 150 S CB 0.228 63.473 63.200 0.074 0.000 0.990 150 S HN 0.857 nan 8.310 nan 0.000 0.471 151 N N 3.228 121.922 118.700 -0.010 0.000 2.171 151 N HA -0.089 4.651 4.740 0.001 0.000 0.184 151 N C 1.460 177.111 175.510 0.234 0.000 1.021 151 N CA 1.506 54.582 53.050 0.043 0.000 0.854 151 N CB -0.523 37.782 38.487 -0.304 0.000 0.994 151 N HN 0.621 nan 8.380 nan 0.000 0.426 152 T N 0.662 115.335 114.554 0.199 0.000 2.699 152 T HA -0.128 4.222 4.350 0.001 0.000 0.268 152 T C 2.019 176.775 174.700 0.093 0.000 1.036 152 T CA 1.497 63.751 62.100 0.257 0.000 1.147 152 T CB -0.826 68.138 68.868 0.159 0.000 0.862 152 T HN 0.390 nan 8.240 nan 0.000 0.446 153 G N 0.134 108.936 108.800 0.005 0.000 2.505 153 G HA2 -0.272 3.688 3.960 0.001 0.000 0.220 153 G HA3 -0.272 3.688 3.960 0.001 0.000 0.220 153 G C 1.246 176.003 174.900 -0.237 0.000 1.145 153 G CA 0.860 45.869 45.100 -0.152 0.000 0.761 153 G HN 0.535 nan 8.290 nan 0.000 0.571 154 Y N 0.064 120.321 120.300 -0.071 0.000 2.373 154 Y HA 0.013 4.563 4.550 0.001 0.000 0.293 154 Y C 2.948 178.810 175.900 -0.064 0.000 1.129 154 Y CA 0.586 58.641 58.100 -0.075 0.000 1.226 154 Y CB -0.019 38.406 38.460 -0.058 0.000 1.000 154 Y HN 0.068 nan 8.280 nan 0.000 0.549 155 V N -0.109 119.876 119.914 0.117 0.000 2.358 155 V HA -0.285 3.835 4.120 0.001 0.000 0.246 155 V C 2.170 178.259 176.094 -0.007 0.000 1.047 155 V CA 1.597 63.935 62.300 0.064 0.000 1.035 155 V CB -0.709 31.169 31.823 0.093 0.000 0.658 155 V HN 0.369 nan 8.190 nan 0.000 0.452 156 L N 0.284 121.455 121.223 -0.085 0.000 2.083 156 L HA -0.151 4.189 4.340 0.001 0.000 0.209 156 L C 2.776 179.644 176.870 -0.005 0.000 1.083 156 L CA 1.491 56.232 54.840 -0.165 0.000 0.752 156 L CB -0.897 40.909 42.059 -0.422 0.000 0.899 156 L HN 0.350 nan 8.230 nan 0.000 0.433 157 A N 0.632 123.376 122.820 -0.126 0.000 1.892 157 A HA -0.193 4.127 4.320 0.001 0.000 0.218 157 A C 2.433 179.928 177.584 -0.147 0.000 1.188 157 A CA 1.986 53.908 52.037 -0.191 0.000 0.631 157 A CB -1.418 17.400 19.000 -0.304 0.000 0.822 157 A HN 0.450 nan 8.150 nan 0.000 0.447 158 G N -0.891 107.826 108.800 -0.139 0.000 2.450 158 G HA2 -0.218 3.742 3.960 0.001 0.000 0.220 158 G HA3 -0.218 3.742 3.960 0.001 0.000 0.220 158 G C 1.615 176.569 174.900 0.090 0.000 1.130 158 G CA 1.255 46.257 45.100 -0.164 0.000 0.760 158 G HN 0.505 nan 8.290 nan 0.000 0.557 159 M N -0.108 119.569 119.600 0.128 0.000 2.200 159 M HA 0.145 4.626 4.480 0.001 0.000 0.265 159 M C 2.486 178.849 176.300 0.106 0.000 1.066 159 M CA 0.899 56.333 55.300 0.224 0.000 1.127 159 M CB -0.264 32.560 32.600 0.374 0.000 1.379 159 M HN 0.163 nan 8.290 nan 0.000 0.420 160 I N 0.392 120.907 120.570 -0.092 0.000 2.163 160 I HA -0.318 3.853 4.170 0.001 0.000 0.243 160 I C 2.267 178.243 176.117 -0.234 0.000 1.085 160 I CA 1.529 62.527 61.300 -0.504 0.000 1.347 160 I CB -0.465 36.976 38.000 -0.932 0.000 1.044 160 I HN 0.257 nan 8.210 nan 0.000 0.408 161 I N 0.835 121.309 120.570 -0.161 0.000 2.179 161 I HA -0.299 3.871 4.170 0.001 0.000 0.242 161 I C 2.823 178.899 176.117 -0.069 0.000 1.088 161 I CA 1.481 62.685 61.300 -0.160 0.000 1.357 161 I CB -0.479 37.447 38.000 -0.124 0.000 1.051 161 I HN 0.189 nan 8.210 nan 0.000 0.409 162 A N -0.208 122.644 122.820 0.052 0.000 1.902 162 A HA -0.285 4.035 4.320 0.001 0.000 0.217 162 A C 2.359 179.977 177.584 0.057 0.000 1.181 162 A CA 1.790 53.864 52.037 0.063 0.000 0.623 162 A CB -1.021 18.049 19.000 0.118 0.000 0.818 162 A HN 0.534 nan 8.150 nan 0.000 0.443 163 H N -0.321 118.766 119.070 0.028 0.000 2.326 163 H HA -0.077 4.479 4.556 0.001 0.000 0.301 163 H C 1.731 177.097 175.328 0.062 0.000 1.081 163 H CA 1.715 57.804 56.048 0.069 0.000 1.334 163 H CB 0.056 29.907 29.762 0.149 0.000 1.385 163 H HN 0.419 nan 8.280 nan 0.000 0.504 164 E N -0.095 120.152 120.200 0.078 0.000 2.150 164 E HA -0.096 4.254 4.350 0.001 0.000 0.193 164 E C 2.230 178.795 176.600 -0.059 0.000 0.985 164 E CA 1.575 57.994 56.400 0.032 0.000 0.814 164 E CB -0.299 29.448 29.700 0.077 0.000 0.752 164 E HN 0.689 nan 8.360 nan 0.000 0.466 165 T N -3.339 111.166 114.554 -0.081 0.000 3.051 165 T HA 0.228 4.578 4.350 0.001 0.000 0.255 165 T C 1.604 176.268 174.700 -0.060 0.000 1.085 165 T CA 0.818 62.879 62.100 -0.064 0.000 1.109 165 T CB 0.244 69.071 68.868 -0.068 0.000 0.921 165 T HN 0.220 nan 8.240 nan 0.000 0.488 166 G N 1.511 110.261 108.800 -0.084 0.000 2.155 166 G HA2 -0.230 3.731 3.960 0.001 0.000 0.257 166 G HA3 -0.230 3.731 3.960 0.001 0.000 0.257 166 G C -0.074 174.795 174.900 -0.052 0.000 0.983 166 G CA 0.514 45.568 45.100 -0.078 0.000 0.676 166 G HN 0.711 nan 8.290 nan 0.000 0.528 167 K N -0.430 119.939 120.400 -0.052 0.000 2.480 167 K HA 0.477 4.797 4.320 0.001 0.000 0.258 167 K C -2.921 173.608 176.600 -0.118 0.000 0.990 167 K CA -2.235 54.011 56.287 -0.069 0.000 0.857 167 K CB 2.256 34.728 32.500 -0.048 0.000 1.384 167 K HN -0.116 nan 8.250 nan 0.000 0.446 168 P HA -0.081 nan 4.420 nan 0.000 0.265 168 P C 0.101 177.184 177.300 -0.360 0.000 1.187 168 P CA 0.217 63.000 63.100 -0.528 0.000 0.766 168 P CB 0.082 31.224 31.700 -0.929 0.000 0.820 169 Y N 1.021 121.224 120.300 -0.161 0.000 2.465 169 Y HA -0.194 4.357 4.550 0.000 0.000 0.289 169 Y C 1.904 177.832 175.900 0.046 0.000 1.150 169 Y CA 1.203 59.302 58.100 -0.001 0.000 1.293 169 Y CB -1.983 36.514 38.460 0.061 0.000 0.977 169 Y HN 0.290 nan 8.280 nan 0.000 0.556 170 S N 0.105 115.720 115.700 -0.140 0.000 2.370 170 S HA -0.314 4.156 4.470 0.001 0.000 0.226 170 S C 1.665 176.266 174.600 0.002 0.000 1.033 170 S CA 1.431 59.649 58.200 0.030 0.000 1.011 170 S CB -0.975 62.241 63.200 0.026 0.000 0.852 170 S HN 0.625 nan 8.310 nan 0.000 0.457 171 D N 1.088 121.471 120.400 -0.029 0.000 2.123 171 D HA -0.235 4.406 4.640 0.001 0.000 0.196 171 D C 1.913 178.211 176.300 -0.003 0.000 0.992 171 D CA 1.605 55.597 54.000 -0.013 0.000 0.833 171 D CB -0.326 40.467 40.800 -0.012 0.000 0.954 171 D HN 0.660 nan 8.370 nan 0.000 0.455 172 H N -1.096 117.940 119.070 -0.056 0.000 2.389 172 H HA -0.020 4.536 4.556 0.001 0.000 0.299 172 H C 1.742 176.999 175.328 -0.119 0.000 1.081 172 H CA 1.241 57.260 56.048 -0.049 0.000 1.345 172 H CB -0.157 29.608 29.762 0.005 0.000 1.393 172 H HN 0.132 nan 8.280 nan 0.000 0.520 173 L N 0.199 121.312 121.223 -0.183 0.000 2.109 173 L HA 0.004 4.344 4.340 0.001 0.000 0.207 173 L C 2.700 178.943 176.870 -1.046 0.000 1.086 173 L CA 1.571 56.102 54.840 -0.516 0.000 0.760 173 L CB -0.722 41.121 42.059 -0.360 0.000 0.910 173 L HN 0.240 nan 8.230 nan 0.000 0.437 174 R N -0.582 119.471 120.500 -0.745 0.000 2.062 174 R HA -0.151 4.189 4.340 0.001 0.000 0.231 174 R C 2.540 178.685 176.300 -0.259 0.000 1.136 174 R CA 1.712 57.510 56.100 -0.504 0.000 0.948 174 R CB -0.214 30.040 30.300 -0.077 0.000 0.845 174 R HN 0.473 nan 8.270 nan 0.000 0.430 175 S N -0.149 115.439 115.700 -0.187 0.000 2.387 175 S HA -0.076 4.394 4.470 0.001 0.000 0.226 175 S C 1.805 176.331 174.600 -0.122 0.000 1.026 175 S CA 0.759 58.894 58.200 -0.107 0.000 0.972 175 S CB -0.085 63.077 63.200 -0.062 0.000 0.814 175 S HN 0.430 nan 8.310 nan 0.000 0.477 176 R N -0.349 120.026 120.500 -0.209 0.000 2.335 176 R HA 0.486 4.826 4.340 0.001 0.000 0.210 176 R C 1.292 177.521 176.300 -0.120 0.000 0.892 176 R CA 0.430 56.424 56.100 -0.176 0.000 1.048 176 R CB 0.102 30.242 30.300 -0.267 0.000 1.067 176 R HN 0.458 nan 8.270 nan 0.000 0.524 177 I N -1.221 119.253 120.570 -0.161 0.000 3.632 177 I HA 0.057 4.228 4.170 0.001 0.000 0.246 177 I C 1.116 177.330 176.117 0.161 0.000 1.125 177 I CA 0.092 61.407 61.300 0.025 0.000 1.519 177 I CB -0.189 37.880 38.000 0.116 0.000 1.555 177 I HN -0.154 nan 8.210 nan 0.000 0.452 178 F N 2.109 122.094 119.950 0.058 0.000 2.102 178 F HA -0.126 4.401 4.527 0.001 0.000 0.298 178 F C 2.710 178.506 175.800 -0.007 0.000 1.105 178 F CA 1.149 59.155 58.000 0.009 0.000 1.239 178 F CB -1.655 37.293 39.000 -0.087 0.000 0.991 178 F HN 0.043 nan 8.300 nan 0.000 0.474 179 A N 0.755 123.663 122.820 0.146 0.000 1.855 179 A HA -0.097 4.223 4.320 0.001 0.000 0.215 179 A C 0.148 177.768 177.584 0.061 0.000 1.191 179 A CA 1.506 53.587 52.037 0.075 0.000 0.613 179 A CB -2.150 16.871 19.000 0.034 0.000 0.829 179 A HN 0.275 nan 8.150 nan 0.000 0.442 180 P HA -0.098 nan 4.420 nan 0.000 0.218 180 P C 1.028 178.367 177.300 0.065 0.000 1.148 180 P CA 0.889 64.018 63.100 0.048 0.000 0.822 180 P CB -0.133 31.590 31.700 0.038 0.000 0.784 181 L N -2.348 118.935 121.223 0.101 0.000 2.592 181 L HA 0.267 4.607 4.340 0.001 0.000 0.227 181 L C 1.233 178.154 176.870 0.085 0.000 1.127 181 L CA 0.443 55.347 54.840 0.107 0.000 0.884 181 L CB -1.008 41.153 42.059 0.170 0.000 1.065 181 L HN 0.082 nan 8.230 nan 0.000 0.457 182 G N 1.189 110.031 108.800 0.069 0.000 2.273 182 G HA2 -0.324 3.637 3.960 0.001 0.000 0.280 182 G HA3 -0.324 3.637 3.960 0.001 0.000 0.280 182 G C 0.200 175.113 174.900 0.021 0.000 1.047 182 G CA 0.001 45.124 45.100 0.038 0.000 0.869 182 G HN 0.333 nan 8.290 nan 0.000 0.502 183 M N -0.224 119.397 119.600 0.035 0.000 2.557 183 M HA 0.274 4.754 4.480 0.001 0.000 0.328 183 M C 1.377 177.573 176.300 -0.174 0.000 1.423 183 M CA 0.267 55.538 55.300 -0.049 0.000 1.418 183 M CB 0.526 33.108 32.600 -0.029 0.000 1.381 183 M HN 0.157 nan 8.290 nan 0.000 0.467 184 K N 0.523 120.816 120.400 -0.179 0.000 2.379 184 K HA 0.041 4.362 4.320 0.001 0.000 0.194 184 K C -0.087 176.253 176.600 -0.434 0.000 1.031 184 K CA 0.462 56.605 56.287 -0.240 0.000 1.037 184 K CB 0.547 32.984 32.500 -0.104 0.000 0.824 184 K HN 0.542 nan 8.250 nan 0.000 0.516 185 D N 1.111 121.263 120.400 -0.412 0.000 2.755 185 D HA 0.080 4.721 4.640 0.001 0.000 0.257 185 D C -0.647 175.325 176.300 -0.547 0.000 1.291 185 D CA 0.228 53.983 54.000 -0.407 0.000 0.836 185 D CB 1.064 41.837 40.800 -0.045 0.000 1.059 185 D HN -0.112 nan 8.370 nan 0.000 0.486 186 T N 0.306 114.247 114.554 -1.021 0.000 2.881 186 T HA 0.403 4.753 4.350 0.001 0.000 0.290 186 T C -0.746 173.331 174.700 -1.039 0.000 1.000 186 T CA -0.619 60.949 62.100 -0.887 0.000 0.978 186 T CB 1.923 70.131 68.868 -1.101 0.000 0.997 186 T HN 0.025 nan 8.240 nan 0.000 0.443 187 W N 1.314 122.383 121.300 -0.385 0.000 3.107 187 W HA 0.525 5.185 4.660 0.000 0.000 0.331 187 W C -1.151 175.304 176.519 -0.106 0.000 1.204 187 W CA -0.892 56.362 57.345 -0.151 0.000 1.184 187 W CB 1.846 31.298 29.460 -0.014 0.000 1.421 187 W HN 0.248 nan 8.180 nan 0.000 0.544 188 V N 2.188 122.293 119.914 0.318 0.000 2.318 188 V HA 0.189 4.309 4.120 0.001 0.000 0.271 188 V C 1.123 177.342 176.094 0.208 0.000 1.030 188 V CA 0.232 62.689 62.300 0.262 0.000 0.844 188 V CB 0.600 32.629 31.823 0.343 0.000 1.015 188 V HN 0.900 nan 8.190 nan 0.000 0.460 189 G N 3.465 112.342 108.800 0.128 0.000 2.462 189 G HA2 -0.197 3.763 3.960 0.001 0.000 0.220 189 G HA3 -0.197 3.763 3.960 0.001 0.000 0.220 189 G C 1.369 176.289 174.900 0.034 0.000 1.121 189 G CA 1.449 46.610 45.100 0.101 0.000 0.758 189 G HN 0.625 nan 8.290 nan 0.000 0.559 190 T N -0.222 114.298 114.554 -0.057 0.000 2.821 190 T HA -0.028 4.323 4.350 0.001 0.000 0.267 190 T C 1.731 176.189 174.700 -0.404 0.000 1.046 190 T CA 1.099 63.021 62.100 -0.296 0.000 1.139 190 T CB -0.164 68.410 68.868 -0.490 0.000 0.871 190 T HN 0.425 nan 8.240 nan 0.000 0.454 191 H N 0.026 119.087 119.070 -0.015 0.000 3.058 191 H HA 0.443 4.999 4.556 0.001 0.000 0.266 191 H C 0.165 175.511 175.328 0.030 0.000 1.135 191 H CA 0.020 56.044 56.048 -0.040 0.000 1.174 191 H CB 1.110 30.781 29.762 -0.151 0.000 1.581 191 H HN 0.411 nan 8.280 nan 0.000 0.553 192 E N 0.707 121.009 120.200 0.170 0.000 2.340 192 E HA 0.300 4.650 4.350 0.001 0.000 0.273 192 E C -0.777 175.904 176.600 0.134 0.000 0.891 192 E CA -0.581 55.938 56.400 0.198 0.000 0.757 192 E CB 2.326 32.235 29.700 0.349 0.000 1.231 192 E HN -0.094 nan 8.360 nan 0.000 0.439 193 T N 2.658 117.236 114.554 0.040 0.000 2.780 193 T HA 0.345 4.695 4.350 0.001 0.000 0.294 193 T C -0.439 174.068 174.700 -0.321 0.000 0.949 193 T CA -0.366 61.663 62.100 -0.119 0.000 1.074 193 T CB -0.195 68.578 68.868 -0.158 0.000 0.910 193 T HN 0.312 nan 8.240 nan 0.000 0.501 194 F N 2.793 122.401 119.950 -0.570 0.000 2.458 194 F HA 0.706 5.233 4.527 0.000 0.000 0.330 194 F C -2.456 172.922 175.800 -0.703 0.000 1.082 194 F CA -3.340 54.008 58.000 -1.087 0.000 0.995 194 F CB 0.457 38.927 39.000 -0.884 0.000 1.170 194 F HN 0.213 nan 8.300 nan 0.000 0.478 195 P HA 0.086 nan 4.420 nan 0.000 0.273 195 P C 0.722 177.817 177.300 -0.341 0.000 1.319 195 P CA 0.027 62.855 63.100 -0.453 0.000 0.885 195 P CB 1.083 32.611 31.700 -0.287 0.000 1.015 196 I N 4.121 124.389 120.570 -0.504 0.000 2.423 196 I HA -0.251 3.919 4.170 0.001 0.000 0.254 196 I C 1.969 178.025 176.117 -0.102 0.000 1.151 196 I CA 1.639 62.732 61.300 -0.345 0.000 1.421 196 I CB -0.482 37.273 38.000 -0.407 0.000 1.079 196 I HN 0.304 nan 8.210 nan 0.000 0.431 197 E N 1.191 121.327 120.200 -0.107 0.000 2.268 197 E HA -0.243 4.107 4.350 0.001 0.000 0.195 197 E C 1.879 178.483 176.600 0.007 0.000 0.995 197 E CA 1.174 57.550 56.400 -0.041 0.000 0.836 197 E CB -0.600 29.072 29.700 -0.048 0.000 0.763 197 E HN 0.576 nan 8.360 nan 0.000 0.491 198 R N 0.701 121.205 120.500 0.006 0.000 2.297 198 R HA 0.143 4.483 4.340 0.001 0.000 0.197 198 R C 0.753 177.107 176.300 0.091 0.000 0.943 198 R CA 0.042 56.160 56.100 0.030 0.000 1.038 198 R CB 0.133 30.445 30.300 0.022 0.000 0.957 198 R HN 0.243 nan 8.270 nan 0.000 0.484 199 E N 1.569 121.832 120.200 0.106 0.000 2.289 199 E HA 0.244 4.594 4.350 0.001 0.000 0.278 199 E C -0.689 175.924 176.600 0.021 0.000 1.032 199 E CA -0.426 56.021 56.400 0.078 0.000 0.854 199 E CB 0.923 30.736 29.700 0.187 0.000 1.046 199 E HN 0.147 nan 8.360 nan 0.000 0.409 200 A N 5.459 128.165 122.820 -0.189 0.000 2.567 200 A HA 0.026 4.346 4.320 0.001 0.000 0.240 200 A C 0.102 177.650 177.584 -0.059 0.000 1.053 200 A CA -0.162 51.690 52.037 -0.309 0.000 0.755 200 A CB 0.220 18.738 19.000 -0.802 0.000 0.978 200 A HN 0.593 nan 8.150 nan 0.000 0.507 201 R N 1.435 121.892 120.500 -0.072 0.000 2.734 201 R HA 0.315 4.656 4.340 0.001 0.000 0.266 201 R C 0.591 176.728 176.300 -0.273 0.000 1.044 201 R CA 0.537 56.507 56.100 -0.217 0.000 1.128 201 R CB -0.067 30.045 30.300 -0.312 0.000 1.010 201 R HN 0.806 nan 8.270 nan 0.000 0.461 202 G N 1.208 109.686 108.800 -0.536 0.000 2.416 202 G HA2 0.549 4.510 3.960 0.001 0.000 0.329 202 G HA3 0.549 4.510 3.960 0.001 0.000 0.329 202 G C -1.418 173.047 174.900 -0.725 0.000 1.173 202 G CA -0.403 44.430 45.100 -0.445 0.000 0.929 202 G HN 0.380 nan 8.290 nan 0.000 0.475 203 Y N 1.453 121.735 120.300 -0.029 0.000 2.350 203 Y HA 0.449 4.999 4.550 0.001 0.000 0.338 203 Y C 0.344 176.201 175.900 -0.072 0.000 0.961 203 Y CA -1.119 56.918 58.100 -0.106 0.000 1.100 203 Y CB 2.154 40.523 38.460 -0.151 0.000 1.179 203 Y HN 0.178 nan 8.280 nan 0.000 0.454 204 M N 3.855 123.469 119.600 0.024 0.000 2.188 204 M HA 0.235 4.715 4.480 0.001 0.000 0.357 204 M C -0.438 175.973 176.300 0.185 0.000 1.204 204 M CA -0.125 55.266 55.300 0.152 0.000 1.095 204 M CB 0.547 33.218 32.600 0.119 0.000 1.604 204 M HN 0.654 nan 8.290 nan 0.000 0.464 205 H N 1.638 120.752 119.070 0.073 0.000 2.552 205 H HA 0.394 4.951 4.556 0.001 0.000 0.311 205 H C 0.050 175.448 175.328 0.117 0.000 1.071 205 H CA -0.509 55.465 56.048 -0.123 0.000 1.307 205 H CB 1.078 30.322 29.762 -0.864 0.000 1.416 205 H HN 0.837 nan 8.280 nan 0.000 0.464 206 A N 3.157 126.095 122.820 0.195 0.000 2.598 206 A HA 0.147 4.467 4.320 0.001 0.000 0.239 206 A C 0.825 178.565 177.584 0.261 0.000 1.032 206 A CA 0.249 52.455 52.037 0.281 0.000 0.760 206 A CB -0.205 18.764 19.000 -0.053 0.000 0.946 206 A HN 0.873 nan 8.150 nan 0.000 0.512 207 A N 2.297 125.301 122.820 0.306 0.000 2.572 207 A HA 0.395 4.715 4.320 0.001 0.000 0.256 207 A C 1.181 178.872 177.584 0.178 0.000 1.041 207 A CA 0.962 53.133 52.037 0.224 0.000 0.790 207 A CB -0.482 18.632 19.000 0.190 0.000 0.947 207 A HN 2.150 nan 8.150 nan 0.000 0.518 208 A N 2.320 125.252 122.820 0.187 0.000 1.922 208 A HA 0.343 4.664 4.320 0.001 0.000 0.192 208 A C 1.285 178.948 177.584 0.132 0.000 2.007 208 A CA 0.704 52.831 52.037 0.150 0.000 1.054 208 A CB -0.117 18.980 19.000 0.161 0.000 1.106 208 A HN 0.735 nan 8.150 nan 0.000 0.639 209 D N 0.312 120.806 120.400 0.157 0.000 2.328 209 D HA 0.037 4.677 4.640 0.001 0.000 0.226 209 D C -0.275 176.105 176.300 0.132 0.000 1.066 209 D CA 0.176 54.253 54.000 0.128 0.000 0.861 209 D CB -0.242 40.631 40.800 0.123 0.000 0.912 209 D HN 0.144 nan 8.370 nan 0.000 0.521 210 D N 0.975 121.468 120.400 0.155 0.000 2.608 210 D HA 0.036 4.676 4.640 0.001 0.000 0.224 210 D C 0.927 177.276 176.300 0.081 0.000 1.123 210 D CA -0.001 54.076 54.000 0.128 0.000 1.030 210 D CB 0.379 41.283 40.800 0.174 0.000 1.093 210 D HN 0.094 nan 8.370 nan 0.000 0.497 211 E N 1.563 121.796 120.200 0.055 0.000 2.014 211 E HA -0.057 4.293 4.350 0.001 0.000 0.190 211 E C -0.091 176.518 176.600 0.016 0.000 0.980 211 E CA 0.779 57.203 56.400 0.040 0.000 0.807 211 E CB 0.239 29.962 29.700 0.038 0.000 0.770 211 E HN 0.505 nan 8.360 nan 0.000 0.451 212 N N 0.742 119.436 118.700 -0.010 0.000 2.524 212 N HA 0.322 5.062 4.740 0.001 0.000 0.261 212 N C -2.772 172.671 175.510 -0.112 0.000 0.998 212 N CA -1.737 51.290 53.050 -0.039 0.000 0.915 212 N CB 1.775 40.246 38.487 -0.026 0.000 1.187 212 N HN -0.133 nan 8.380 nan 0.000 0.507 213 P HA -0.045 nan 4.420 nan 0.000 0.269 213 P C -0.128 176.979 177.300 -0.321 0.000 1.209 213 P CA -0.050 62.933 63.100 -0.195 0.000 0.776 213 P CB 1.095 32.749 31.700 -0.075 0.000 0.876 214 Q N 1.145 120.565 119.800 -0.633 0.000 2.398 214 Q HA 0.037 4.377 4.340 0.001 0.000 0.204 214 Q C -0.088 175.623 176.000 -0.481 0.000 0.932 214 Q CA 0.468 55.816 55.803 -0.757 0.000 0.916 214 Q CB 0.123 27.962 28.738 -1.499 0.000 1.024 214 Q HN 0.396 nan 8.270 nan 0.000 0.504 215 W N 1.134 122.326 121.300 -0.181 0.000 2.736 215 W HA 0.324 4.984 4.660 0.000 0.000 0.355 215 W C -0.730 175.715 176.519 -0.124 0.000 1.102 215 W CA -1.634 55.625 57.345 -0.144 0.000 1.164 215 W CB 0.954 30.326 29.460 -0.147 0.000 1.422 215 W HN -0.053 nan 8.180 nan 0.000 0.572 216 D N 1.351 121.836 120.400 0.142 0.000 2.455 216 D HA 0.129 4.769 4.640 0.001 0.000 0.234 216 D C 1.041 177.289 176.300 -0.088 0.000 1.224 216 D CA 0.087 54.094 54.000 0.013 0.000 0.999 216 D CB 0.327 41.132 40.800 0.007 0.000 1.072 216 D HN 0.117 nan 8.370 nan 0.000 0.514 217 V N 0.706 120.548 119.914 -0.119 0.000 3.623 217 V HA 0.172 4.292 4.120 0.001 0.000 0.271 217 V C 0.798 176.630 176.094 -0.437 0.000 1.248 217 V CA -0.392 61.725 62.300 -0.306 0.000 1.156 217 V CB -0.666 31.028 31.823 -0.215 0.000 0.870 217 V HN 0.217 nan 8.190 nan 0.000 0.453 218 S N 1.652 117.180 115.700 -0.287 0.000 2.549 218 S HA 0.535 5.005 4.470 0.001 0.000 0.279 218 S C 1.259 175.681 174.600 -0.298 0.000 1.321 218 S CA 0.630 58.683 58.200 -0.245 0.000 1.054 218 S CB 0.716 63.833 63.200 -0.138 0.000 0.899 218 S HN 1.427 nan 8.310 nan 0.000 0.497 219 G N 1.413 110.057 108.800 -0.260 0.000 2.134 219 G HA2 -0.162 3.798 3.960 0.001 0.000 0.209 219 G HA3 -0.162 3.798 3.960 0.001 0.000 0.209 219 G C 0.696 175.406 174.900 -0.316 0.000 0.993 219 G CA 0.185 45.145 45.100 -0.233 0.000 0.669 219 G HN 0.946 nan 8.290 nan 0.000 0.519 220 A N -0.402 122.166 122.820 -0.420 0.000 2.014 220 A HA 0.547 4.867 4.320 0.001 0.000 0.218 220 A C 2.603 180.228 177.584 0.069 0.000 1.163 220 A CA 2.236 54.006 52.037 -0.444 0.000 0.652 220 A CB -0.453 17.989 19.000 -0.929 0.000 0.808 220 A HN 2.683 nan 8.150 nan 0.000 0.449 221 G N -0.907 107.965 108.800 0.120 0.000 2.584 221 G HA2 -0.138 3.822 3.960 0.001 0.000 0.229 221 G HA3 -0.138 3.822 3.960 0.001 0.000 0.229 221 G C -0.899 174.293 174.900 0.487 0.000 1.320 221 G CA -0.009 45.243 45.100 0.254 0.000 0.891 221 G HN 0.385 nan 8.290 nan 0.000 0.573 222 D N 1.635 122.243 120.400 0.347 0.000 2.272 222 D HA 0.629 5.270 4.640 0.001 0.000 0.247 222 D C -1.992 174.259 176.300 -0.081 0.000 0.990 222 D CA -0.663 53.477 54.000 0.232 0.000 0.931 222 D CB 1.794 42.639 40.800 0.075 0.000 1.195 222 D HN 0.288 nan 8.370 nan 0.000 0.477 223 P HA 0.188 nan 4.420 nan 0.000 0.280 223 P C -0.245 176.874 177.300 -0.301 0.000 1.272 223 P CA -0.511 62.201 63.100 -0.646 0.000 0.819 223 P CB 0.771 31.876 31.700 -0.991 0.000 1.122 224 V N -2.528 117.254 119.914 -0.220 0.000 6.170 224 V HA -0.208 3.913 4.120 0.001 0.000 0.339 224 V C 0.167 176.220 176.094 -0.068 0.000 0.403 224 V CA 0.837 63.026 62.300 -0.185 0.000 0.699 224 V CB -3.415 28.225 31.823 -0.305 0.000 0.340 224 V HN 0.937 nan 8.190 nan 0.000 1.356 225 D N -0.770 119.571 120.400 -0.099 0.000 2.800 225 D HA 0.013 4.654 4.640 0.001 0.000 0.248 225 D C 0.491 176.729 176.300 -0.104 0.000 1.091 225 D CA 1.581 55.550 54.000 -0.053 0.000 0.746 225 D CB -1.048 39.782 40.800 0.050 0.000 1.062 225 D HN 1.876 nan 8.370 nan 0.000 0.431 226 G N 0.800 109.513 108.800 -0.144 0.000 2.741 226 G HA2 0.563 4.523 3.960 0.001 0.000 0.336 226 G HA3 0.563 4.523 3.960 0.001 0.000 0.336 226 G C 0.166 174.857 174.900 -0.348 0.000 1.022 226 G CA 0.071 45.025 45.100 -0.242 0.000 1.193 226 G HN 0.914 nan 8.290 nan 0.000 0.455 227 V N -1.495 118.181 119.914 -0.397 0.000 3.078 227 V HA 0.730 4.850 4.120 0.001 0.000 0.311 227 V C -1.041 174.867 176.094 -0.310 0.000 1.138 227 V CA -1.859 60.231 62.300 -0.350 0.000 1.007 227 V CB 2.084 33.703 31.823 -0.340 0.000 1.045 227 V HN 0.526 nan 8.190 nan 0.000 0.432 228 W N 0.702 122.035 121.300 0.056 0.000 2.520 228 W HA 0.421 5.082 4.660 0.001 0.000 0.323 228 W C -0.445 176.066 176.519 -0.013 0.000 1.062 228 W CA -0.265 57.130 57.345 0.084 0.000 1.215 228 W CB 1.903 31.466 29.460 0.172 0.000 1.340 228 W HN 0.772 nan 8.180 nan 0.000 0.516 229 D N 1.484 122.012 120.400 0.212 0.000 2.344 229 D HA 0.016 4.656 4.640 0.001 0.000 0.253 229 D C 1.027 177.052 176.300 -0.458 0.000 1.255 229 D CA 0.370 54.294 54.000 -0.127 0.000 0.894 229 D CB 0.858 41.657 40.800 -0.003 0.000 1.067 229 D HN 0.269 nan 8.370 nan 0.000 0.492 230 S N 1.305 116.507 115.700 -0.829 0.000 2.540 230 S HA -0.025 4.445 4.470 0.001 0.000 0.218 230 S C 1.602 175.749 174.600 -0.754 0.000 0.977 230 S CA -0.243 57.076 58.200 -1.468 0.000 0.918 230 S CB 0.119 62.262 63.200 -1.762 0.000 0.806 230 S HN 0.391 nan 8.310 nan 0.000 0.496 231 T N 2.997 117.238 114.554 -0.521 0.000 2.680 231 T HA -0.183 4.168 4.350 0.001 0.000 0.268 231 T C 0.968 175.565 174.700 -0.172 0.000 1.033 231 T CA 2.003 63.889 62.100 -0.357 0.000 1.152 231 T CB -0.334 68.371 68.868 -0.272 0.000 0.859 231 T HN 0.665 nan 8.240 nan 0.000 0.452 232 E N -1.052 119.095 120.200 -0.088 0.000 2.685 232 E HA 0.103 4.453 4.350 0.001 0.000 0.208 232 E C 0.656 177.357 176.600 0.169 0.000 0.996 232 E CA -0.475 55.943 56.400 0.030 0.000 1.054 232 E CB 0.222 29.930 29.700 0.015 0.000 1.075 232 E HN 0.407 nan 8.360 nan 0.000 0.460 233 W N 0.501 121.780 121.300 -0.036 0.000 2.354 233 W HA -0.074 4.586 4.660 0.001 0.000 0.315 233 W C 0.807 177.357 176.519 0.051 0.000 1.206 233 W CA 0.581 57.915 57.345 -0.019 0.000 1.290 233 W CB -0.364 29.055 29.460 -0.068 0.000 1.152 233 W HN 0.063 nan 8.180 nan 0.000 0.489 234 F N 2.107 122.131 119.950 0.123 0.000 2.411 234 F HA 0.437 4.964 4.527 0.000 0.000 0.352 234 F C -2.216 173.602 175.800 0.029 0.000 1.123 234 F CA -3.870 54.146 58.000 0.026 0.000 1.044 234 F CB 0.666 39.621 39.000 -0.075 0.000 1.135 234 F HN -0.354 nan 8.300 nan 0.000 0.461 235 P HA 0.167 nan 4.420 nan 0.000 0.271 235 P C 0.891 177.770 177.300 -0.700 0.000 1.220 235 P CA -0.034 62.826 63.100 -0.401 0.000 0.768 235 P CB 0.890 32.464 31.700 -0.209 0.000 0.848 236 L N 1.832 122.859 121.223 -0.326 0.000 2.131 236 L HA -0.191 4.149 4.340 0.001 0.000 0.210 236 L C 2.321 179.070 176.870 -0.202 0.000 1.092 236 L CA 1.915 56.621 54.840 -0.222 0.000 0.759 236 L CB -0.792 41.243 42.059 -0.040 0.000 0.903 236 L HN 0.457 nan 8.230 nan 0.000 0.435 237 S N -0.080 115.516 115.700 -0.174 0.000 2.440 237 S HA -0.144 4.327 4.470 0.001 0.000 0.238 237 S C 2.018 176.516 174.600 -0.169 0.000 1.010 237 S CA 1.034 59.168 58.200 -0.109 0.000 0.972 237 S CB -0.890 62.289 63.200 -0.035 0.000 0.774 237 S HN 0.458 nan 8.310 nan 0.000 0.501 238 G N 0.758 109.304 108.800 -0.423 0.000 2.471 238 G HA2 0.200 4.161 3.960 0.001 0.000 0.219 238 G HA3 0.200 4.161 3.960 0.001 0.000 0.219 238 G C 1.454 176.184 174.900 -0.283 0.000 1.125 238 G CA 0.604 45.240 45.100 -0.772 0.000 0.775 238 G HN 0.789 nan 8.290 nan 0.000 0.548 239 A N -0.468 122.337 122.820 -0.025 0.000 1.997 239 A HA 0.208 4.528 4.320 0.001 0.000 0.212 239 A C 1.390 179.057 177.584 0.139 0.000 1.178 239 A CA 1.107 53.297 52.037 0.256 0.000 0.698 239 A CB -0.182 19.033 19.000 0.358 0.000 0.842 239 A HN 0.412 nan 8.150 nan 0.000 0.458 240 N N -1.348 117.386 118.700 0.057 0.000 1.202 240 N HA -0.329 4.412 4.740 0.001 0.000 0.108 240 N C 1.157 176.781 175.510 0.190 0.000 0.816 240 N CA 1.512 54.644 53.050 0.137 0.000 0.848 240 N CB -1.358 37.174 38.487 0.076 0.000 0.972 240 N HN 0.684 nan 8.380 nan 0.000 0.645 241 A N -0.087 122.795 122.820 0.103 0.000 2.216 241 A HA 0.285 4.605 4.320 0.001 0.000 0.214 241 A C 2.212 179.817 177.584 0.034 0.000 1.160 241 A CA 2.324 54.282 52.037 -0.131 0.000 0.725 241 A CB -0.715 18.010 19.000 -0.459 0.000 0.784 241 A HN 0.845 nan 8.150 nan 0.000 0.472 242 A N -1.484 121.424 122.820 0.147 0.000 2.123 242 A HA 0.420 4.740 4.320 0.001 0.000 0.214 242 A C 1.495 179.137 177.584 0.096 0.000 1.152 242 A CA 1.278 53.406 52.037 0.151 0.000 0.728 242 A CB -0.164 19.026 19.000 0.317 0.000 0.814 242 A HN 1.226 nan 8.150 nan 0.000 0.464 243 G N 0.087 108.964 108.800 0.128 0.000 5.310 243 G HA2 0.207 4.168 3.960 0.001 0.000 0.203 243 G HA3 0.207 4.168 3.960 0.001 0.000 0.203 243 G C -0.051 174.918 174.900 0.115 0.000 0.800 243 G CA 0.585 45.756 45.100 0.119 0.000 0.754 243 G HN 0.364 nan 8.290 nan 0.000 0.308 244 D N -0.100 120.363 120.400 0.105 0.000 2.328 244 D HA 0.184 4.824 4.640 0.001 0.000 0.221 244 D C 0.965 177.282 176.300 0.029 0.000 1.072 244 D CA -0.318 53.730 54.000 0.080 0.000 0.850 244 D CB 0.070 40.934 40.800 0.107 0.000 0.922 244 D HN 0.309 nan 8.370 nan 0.000 0.516 245 M N 0.416 120.010 119.600 -0.010 0.000 2.274 245 M HA 0.340 4.821 4.480 0.001 0.000 0.344 245 M C -0.675 175.536 176.300 -0.147 0.000 1.161 245 M CA -0.647 54.596 55.300 -0.095 0.000 1.126 245 M CB 2.397 34.866 32.600 -0.219 0.000 1.522 245 M HN -0.267 nan 8.290 nan 0.000 0.461 246 V N 1.530 121.328 119.914 -0.194 0.000 2.495 246 V HA 0.685 4.806 4.120 0.001 0.000 0.298 246 V C -0.371 175.654 176.094 -0.114 0.000 1.031 246 V CA -0.245 61.923 62.300 -0.220 0.000 0.871 246 V CB 1.848 33.319 31.823 -0.586 0.000 0.988 246 V HN 0.964 nan 8.190 nan 0.000 0.432 247 S N 2.134 117.807 115.700 -0.045 0.000 2.727 247 S HA 0.751 5.222 4.470 0.001 0.000 0.278 247 S C -0.598 174.056 174.600 0.090 0.000 1.186 247 S CA 0.014 58.187 58.200 -0.044 0.000 0.836 247 S CB 2.261 65.364 63.200 -0.163 0.000 1.186 247 S HN 1.015 nan 8.310 nan 0.000 0.499 248 T N 0.197 114.793 114.554 0.070 0.000 2.918 248 T HA 0.604 4.954 4.350 0.001 0.000 0.286 248 T C -2.396 172.363 174.700 0.099 0.000 1.026 248 T CA -1.833 60.351 62.100 0.140 0.000 1.031 248 T CB 1.233 70.162 68.868 0.102 0.000 1.046 248 T HN 0.261 nan 8.240 nan 0.000 0.479 249 P HA -0.135 nan 4.420 nan 0.000 0.216 249 P C 1.642 178.983 177.300 0.067 0.000 1.150 249 P CA 0.935 64.067 63.100 0.052 0.000 0.843 249 P CB 0.084 31.798 31.700 0.024 0.000 0.787 250 R N -0.002 120.537 120.500 0.066 0.000 2.080 250 R HA -0.191 4.149 4.340 0.001 0.000 0.236 250 R C 1.692 178.031 176.300 0.066 0.000 1.137 250 R CA 2.196 58.329 56.100 0.056 0.000 0.943 250 R CB -0.806 29.518 30.300 0.040 0.000 0.846 250 R HN 0.067 nan 8.270 nan 0.000 0.431 251 D N 0.126 120.557 120.400 0.053 0.000 2.144 251 D HA -0.125 4.515 4.640 0.001 0.000 0.199 251 D C 1.826 178.215 176.300 0.148 0.000 0.984 251 D CA 0.891 54.923 54.000 0.053 0.000 0.834 251 D CB -0.038 40.735 40.800 -0.044 0.000 0.955 251 D HN 0.225 nan 8.370 nan 0.000 0.465 252 I N 0.346 121.015 120.570 0.165 0.000 2.252 252 I HA -0.166 4.004 4.170 0.001 0.000 0.245 252 I C 2.367 178.662 176.117 0.297 0.000 1.102 252 I CA 0.652 62.129 61.300 0.296 0.000 1.385 252 I CB -0.927 37.208 38.000 0.226 0.000 1.064 252 I HN -0.048 nan 8.210 nan 0.000 0.414 253 V N 1.232 121.253 119.914 0.178 0.000 2.407 253 V HA -0.258 3.862 4.120 0.001 0.000 0.248 253 V C 2.503 178.677 176.094 0.133 0.000 1.055 253 V CA 1.513 63.893 62.300 0.133 0.000 1.049 253 V CB -0.671 31.200 31.823 0.079 0.000 0.662 253 V HN 0.410 nan 8.190 nan 0.000 0.455 254 K N -0.460 120.026 120.400 0.145 0.000 2.044 254 K HA -0.257 4.063 4.320 0.001 0.000 0.210 254 K C 2.116 178.831 176.600 0.190 0.000 1.049 254 K CA 2.207 58.580 56.287 0.143 0.000 0.927 254 K CB -0.477 32.105 32.500 0.138 0.000 0.713 254 K HN 0.491 nan 8.250 nan 0.000 0.443 255 F N 2.036 122.065 119.950 0.132 0.000 2.102 255 F HA -0.153 4.375 4.527 0.001 0.000 0.298 255 F C 1.847 177.681 175.800 0.057 0.000 1.105 255 F CA 1.271 59.336 58.000 0.109 0.000 1.239 255 F CB -0.294 38.796 39.000 0.150 0.000 0.991 255 F HN -0.111 nan 8.300 nan 0.000 0.474 256 L N 0.255 121.472 121.223 -0.010 0.000 2.046 256 L HA -0.266 4.074 4.340 0.001 0.000 0.208 256 L C 2.320 179.223 176.870 0.055 0.000 1.077 256 L CA 1.383 56.213 54.840 -0.017 0.000 0.747 256 L CB -0.983 41.170 42.059 0.157 0.000 0.896 256 L HN 0.204 nan 8.230 nan 0.000 0.432 257 N N 0.434 119.154 118.700 0.035 0.000 2.058 257 N HA -0.163 4.577 4.740 0.001 0.000 0.191 257 N C 1.889 177.399 175.510 -0.000 0.000 1.037 257 N CA 1.717 54.789 53.050 0.035 0.000 0.848 257 N CB -0.425 38.081 38.487 0.032 0.000 1.021 257 N HN 0.304 nan 8.380 nan 0.000 0.422 258 A N 0.875 123.667 122.820 -0.046 0.000 1.902 258 A HA -0.101 4.219 4.320 0.001 0.000 0.217 258 A C 2.276 179.761 177.584 -0.164 0.000 1.181 258 A CA 1.058 53.051 52.037 -0.072 0.000 0.623 258 A CB -0.794 18.185 19.000 -0.035 0.000 0.818 258 A HN 0.245 nan 8.150 nan 0.000 0.443 259 L N -1.507 119.499 121.223 -0.362 0.000 1.976 259 L HA -0.083 4.258 4.340 0.001 0.000 0.209 259 L C 2.176 178.807 176.870 -0.399 0.000 1.071 259 L CA 2.087 56.610 54.840 -0.529 0.000 0.746 259 L CB -0.645 40.806 42.059 -1.013 0.000 0.890 259 L HN 0.373 nan 8.230 nan 0.000 0.432 260 F N -0.611 119.220 119.950 -0.198 0.000 2.456 260 F HA -0.066 4.461 4.527 0.001 0.000 0.298 260 F C 1.835 177.590 175.800 -0.075 0.000 1.104 260 F CA 0.702 58.633 58.000 -0.115 0.000 1.435 260 F CB -0.389 38.551 39.000 -0.100 0.000 1.078 260 F HN 0.149 nan 8.300 nan 0.000 0.546 261 D N -0.433 120.009 120.400 0.069 0.000 2.349 261 D HA 0.121 4.761 4.640 0.001 0.000 0.224 261 D C 1.890 178.189 176.300 -0.001 0.000 1.029 261 D CA 0.951 54.971 54.000 0.033 0.000 0.879 261 D CB -0.182 40.630 40.800 0.020 0.000 0.906 261 D HN 0.262 nan 8.370 nan 0.000 0.528 262 G N 1.202 109.981 108.800 -0.035 0.000 2.147 262 G HA2 -0.359 3.602 3.960 0.001 0.000 0.244 262 G HA3 -0.359 3.602 3.960 0.001 0.000 0.244 262 G C 1.006 175.883 174.900 -0.037 0.000 1.005 262 G CA -0.016 45.059 45.100 -0.042 0.000 0.713 262 G HN 0.373 nan 8.290 nan 0.000 0.515 263 R N -0.811 119.662 120.500 -0.045 0.000 2.334 263 R HA 0.444 4.784 4.340 0.001 0.000 0.216 263 R C 1.974 178.257 176.300 -0.028 0.000 0.905 263 R CA 0.593 56.676 56.100 -0.027 0.000 1.064 263 R CB 0.195 30.485 30.300 -0.015 0.000 1.046 263 R HN 0.559 nan 8.270 nan 0.000 0.508 264 I N -0.213 120.325 120.570 -0.053 0.000 3.393 264 I HA 0.091 4.261 4.170 0.001 0.000 0.250 264 I C 0.522 176.627 176.117 -0.021 0.000 1.122 264 I CA 0.054 61.335 61.300 -0.032 0.000 1.484 264 I CB 0.244 38.219 38.000 -0.042 0.000 1.468 264 I HN -0.088 nan 8.210 nan 0.000 0.461 265 L N 2.298 123.492 121.223 -0.048 0.000 2.325 265 L HA 0.251 4.591 4.340 0.001 0.000 0.279 265 L C -0.556 176.291 176.870 -0.038 0.000 1.054 265 L CA -0.876 53.944 54.840 -0.033 0.000 0.804 265 L CB 0.953 42.973 42.059 -0.065 0.000 1.200 265 L HN 0.283 nan 8.230 nan 0.000 0.436 266 D N 1.003 121.393 120.400 -0.017 0.000 2.372 266 D HA -0.028 4.613 4.640 0.001 0.000 0.243 266 D C 0.648 176.939 176.300 -0.015 0.000 1.297 266 D CA -0.187 53.805 54.000 -0.013 0.000 0.958 266 D CB 0.611 41.410 40.800 -0.002 0.000 1.114 266 D HN 0.469 nan 8.370 nan 0.000 0.496 267 Q N -1.059 118.737 119.800 -0.006 0.000 2.079 267 Q HA -0.167 4.174 4.340 0.001 0.000 0.200 267 Q C 1.732 177.761 176.000 0.049 0.000 0.974 267 Q CA 1.287 57.098 55.803 0.013 0.000 0.840 267 Q CB -0.175 28.564 28.738 0.002 0.000 0.898 267 Q HN 0.365 nan 8.270 nan 0.000 0.430 268 K N 1.152 121.564 120.400 0.020 0.000 2.063 268 K HA -0.162 4.159 4.320 0.001 0.000 0.208 268 K C 1.869 178.522 176.600 0.088 0.000 1.048 268 K CA 1.465 57.782 56.287 0.051 0.000 0.928 268 K CB 0.008 32.506 32.500 -0.004 0.000 0.713 268 K HN -0.048 nan 8.250 nan 0.000 0.442 269 R N -0.294 120.195 120.500 -0.017 0.000 2.093 269 R HA 0.051 4.391 4.340 0.001 0.000 0.224 269 R C 2.101 178.227 176.300 -0.290 0.000 1.101 269 R CA 0.861 56.848 56.100 -0.188 0.000 0.979 269 R CB -0.683 29.526 30.300 -0.151 0.000 0.877 269 R HN 0.163 nan 8.270 nan 0.000 0.441 270 L N -0.418 120.723 121.223 -0.138 0.000 2.012 270 L HA -0.155 4.185 4.340 0.001 0.000 0.210 270 L C 1.847 178.689 176.870 -0.046 0.000 1.073 270 L CA 1.746 56.507 54.840 -0.131 0.000 0.748 270 L CB -0.726 41.276 42.059 -0.095 0.000 0.891 270 L HN 0.306 nan 8.230 nan 0.000 0.431 271 W N 0.674 121.907 121.300 -0.113 0.000 2.335 271 W HA -0.216 4.444 4.660 0.000 0.000 0.311 271 W C 2.389 178.885 176.519 -0.039 0.000 1.213 271 W CA 2.032 59.344 57.345 -0.055 0.000 1.274 271 W CB -0.052 29.383 29.460 -0.041 0.000 1.148 271 W HN 0.165 nan 8.180 nan 0.000 0.498 272 E N -0.100 120.105 120.200 0.009 0.000 2.085 272 E HA -0.292 4.059 4.350 0.001 0.000 0.194 272 E C 2.136 178.682 176.600 -0.091 0.000 0.994 272 E CA 1.899 58.195 56.400 -0.174 0.000 0.801 272 E CB -0.944 28.651 29.700 -0.175 0.000 0.743 272 E HN 0.472 nan 8.360 nan 0.000 0.453 273 M N 0.749 120.257 119.600 -0.153 0.000 2.086 273 M HA -0.203 4.277 4.480 0.001 0.000 0.261 273 M C 2.165 178.464 176.300 -0.001 0.000 1.067 273 M CA 1.944 57.246 55.300 0.002 0.000 1.116 273 M CB 0.073 32.625 32.600 -0.080 0.000 1.348 273 M HN -0.035 nan 8.290 nan 0.000 0.407 274 K N -2.757 117.588 120.400 -0.090 0.000 2.365 274 K HA 0.077 4.397 4.320 0.001 0.000 0.195 274 K C 0.467 176.995 176.600 -0.119 0.000 1.079 274 K CA 0.659 56.921 56.287 -0.041 0.000 0.979 274 K CB 0.349 32.871 32.500 0.037 0.000 0.929 274 K HN 0.187 nan 8.250 nan 0.000 0.523 275 D N 0.511 120.706 120.400 -0.342 0.000 2.479 275 D HA -0.010 4.630 4.640 0.001 0.000 0.221 275 D C -0.233 175.654 176.300 -0.689 0.000 1.104 275 D CA 0.124 53.843 54.000 -0.468 0.000 0.849 275 D CB 0.230 40.753 40.800 -0.461 0.000 1.072 275 D HN 0.066 nan 8.370 nan 0.000 0.502 276 N N 1.944 120.115 118.700 -0.882 0.000 2.968 276 N HA 0.115 4.856 4.740 0.001 0.000 0.271 276 N C -0.394 175.004 175.510 -0.187 0.000 1.174 276 N CA -0.090 52.564 53.050 -0.661 0.000 1.096 276 N CB -0.516 37.551 38.487 -0.700 0.000 1.403 276 N HN 0.239 nan 8.380 nan 0.000 0.522 277 I N -1.635 118.847 120.570 -0.147 0.000 2.648 277 I HA 0.616 4.787 4.170 0.001 0.000 0.304 277 I C -0.305 175.793 176.117 -0.031 0.000 1.009 277 I CA -0.831 60.420 61.300 -0.082 0.000 1.114 277 I CB 1.912 39.871 38.000 -0.068 0.000 1.293 277 I HN -0.100 nan 8.210 nan 0.000 0.449 278 K N 3.434 123.823 120.400 -0.018 0.000 2.444 278 K HA 0.568 4.888 4.320 0.001 0.000 0.252 278 K C -2.758 173.850 176.600 0.013 0.000 0.993 278 K CA -1.795 54.498 56.287 0.011 0.000 0.847 278 K CB 2.207 34.730 32.500 0.038 0.000 1.340 278 K HN 0.354 nan 8.250 nan 0.000 0.446 279 P HA 0.021 nan 4.420 nan 0.000 0.267 279 P C -1.477 175.847 177.300 0.041 0.000 1.200 279 P CA 0.123 63.236 63.100 0.022 0.000 0.772 279 P CB 0.615 32.325 31.700 0.016 0.000 0.855 280 A N 2.355 125.208 122.820 0.055 0.000 2.549 280 A HA 0.698 5.019 4.320 0.001 0.000 0.297 280 A C -1.856 175.812 177.584 0.140 0.000 1.061 280 A CA -0.401 51.689 52.037 0.087 0.000 0.690 280 A CB 1.014 20.051 19.000 0.061 0.000 1.287 280 A HN 0.411 nan 8.150 nan 0.000 0.402 281 F N 1.376 121.312 119.950 -0.023 0.000 2.507 281 F HA 0.793 5.320 4.527 0.001 0.000 0.325 281 F C -1.590 174.182 175.800 -0.047 0.000 1.116 281 F CA -1.599 56.366 58.000 -0.058 0.000 0.930 281 F CB 1.566 40.510 39.000 -0.092 0.000 1.146 281 F HN 0.516 nan 8.300 nan 0.000 0.447 282 F N 8.339 127.706 119.950 -0.972 0.000 2.585 282 F HA 0.559 5.086 4.527 0.001 0.000 0.319 282 F C -2.528 172.418 175.800 -1.424 0.000 1.165 282 F CA -2.383 54.918 58.000 -1.165 0.000 0.949 282 F CB 1.798 40.341 39.000 -0.762 0.000 1.218 282 F HN 0.300 nan 8.300 nan 0.000 0.453 283 P HA 0.205 nan 4.420 nan 0.000 0.268 283 P C 0.547 177.519 177.300 -0.546 0.000 1.204 283 P CA 1.272 63.632 63.100 -1.233 0.000 0.768 283 P CB 1.058 32.035 31.700 -1.205 0.000 0.842 284 G N 1.883 110.555 108.800 -0.213 0.000 2.234 284 G HA2 -0.259 3.702 3.960 0.001 0.000 0.260 284 G HA3 -0.259 3.702 3.960 0.001 0.000 0.260 284 G C 0.418 175.300 174.900 -0.031 0.000 0.987 284 G CA 0.501 45.580 45.100 -0.035 0.000 0.625 284 G HN 0.894 nan 8.290 nan 0.000 0.532 285 S N -0.512 115.142 115.700 -0.077 0.000 2.694 285 S HA 0.628 5.098 4.470 0.001 0.000 0.278 285 S C 0.717 175.245 174.600 -0.121 0.000 1.152 285 S CA 0.147 58.297 58.200 -0.084 0.000 1.010 285 S CB 1.247 64.385 63.200 -0.103 0.000 1.104 285 S HN 0.082 nan 8.310 nan 0.000 0.547 286 N N 0.366 118.959 118.700 -0.178 0.000 2.251 286 N HA 0.219 4.960 4.740 0.001 0.000 0.217 286 N C -0.683 174.691 175.510 -0.227 0.000 1.124 286 N CA -0.005 52.884 53.050 -0.269 0.000 0.843 286 N CB 0.122 38.266 38.487 -0.572 0.000 1.024 286 N HN 0.564 nan 8.380 nan 0.000 0.501 287 T N 0.302 114.760 114.554 -0.161 0.000 2.888 287 T HA 0.135 4.485 4.350 0.001 0.000 0.301 287 T C 1.620 176.281 174.700 -0.064 0.000 1.001 287 T CA -0.074 61.955 62.100 -0.120 0.000 1.147 287 T CB 1.226 70.022 68.868 -0.119 0.000 0.931 287 T HN 0.132 nan 8.240 nan 0.000 0.541 288 V N -0.058 119.824 119.914 -0.053 0.000 3.497 288 V HA 0.807 4.928 4.120 0.001 0.000 0.272 288 V C 0.313 176.405 176.094 -0.004 0.000 1.474 288 V CA 0.369 62.657 62.300 -0.020 0.000 1.025 288 V CB -0.421 31.380 31.823 -0.037 0.000 0.820 288 V HN 1.001 nan 8.190 nan 0.000 0.437 289 A N 1.404 124.217 122.820 -0.012 0.000 2.586 289 A HA 0.760 5.080 4.320 0.001 0.000 0.290 289 A C -1.455 176.127 177.584 -0.004 0.000 1.086 289 A CA -0.128 51.908 52.037 -0.002 0.000 0.665 289 A CB 1.208 20.203 19.000 -0.008 0.000 1.279 289 A HN 0.705 nan 8.150 nan 0.000 0.423 290 N N 0.040 118.743 118.700 0.005 0.000 2.396 290 N HA 0.594 5.334 4.740 0.001 0.000 0.275 290 N C 0.053 175.536 175.510 -0.045 0.000 1.218 290 N CA -0.005 53.053 53.050 0.013 0.000 0.812 290 N CB 1.763 40.309 38.487 0.098 0.000 1.592 290 N HN 0.940 nan 8.380 nan 0.000 0.480 291 G N 0.079 108.849 108.800 -0.051 0.000 3.387 291 G HA2 0.205 4.165 3.960 0.001 0.000 0.195 291 G HA3 0.205 4.165 3.960 0.001 0.000 0.195 291 G C -0.712 173.999 174.900 -0.314 0.000 1.853 291 G CA 0.026 45.044 45.100 -0.136 0.000 0.879 291 G HN 0.675 nan 8.290 nan 0.000 0.651 292 H N -0.936 118.185 119.070 0.085 0.000 2.386 292 H HA 0.506 5.062 4.556 0.001 0.000 0.232 292 H C 0.697 176.175 175.328 0.250 0.000 1.416 292 H CA 0.094 56.230 56.048 0.148 0.000 1.285 292 H CB 0.696 30.572 29.762 0.190 0.000 1.625 292 H HN 0.839 nan 8.280 nan 0.000 0.521 293 G N 0.430 109.415 108.800 0.309 0.000 2.273 293 G HA2 -0.144 3.816 3.960 0.001 0.000 0.162 293 G HA3 -0.144 3.816 3.960 0.001 0.000 0.162 293 G C -0.432 174.662 174.900 0.323 0.000 1.006 293 G CA -0.556 44.757 45.100 0.356 0.000 0.704 293 G HN 0.321 nan 8.290 nan 0.000 0.487 294 L N 1.205 122.572 121.223 0.241 0.000 2.401 294 L HA 0.680 5.021 4.340 0.001 0.000 0.266 294 L C 0.094 177.006 176.870 0.071 0.000 0.991 294 L CA -1.090 53.866 54.840 0.192 0.000 0.818 294 L CB 2.166 44.328 42.059 0.172 0.000 1.321 294 L HN -0.042 nan 8.230 nan 0.000 0.413 295 L N 3.006 124.193 121.223 -0.060 0.000 2.357 295 L HA 0.440 4.780 4.340 0.001 0.000 0.273 295 L C -0.850 175.996 176.870 -0.040 0.000 1.080 295 L CA -0.844 53.924 54.840 -0.119 0.000 0.803 295 L CB 1.403 43.276 42.059 -0.310 0.000 1.174 295 L HN 0.319 nan 8.230 nan 0.000 0.443 296 L N 3.834 125.037 121.223 -0.034 0.000 2.265 296 L HA 0.471 4.811 4.340 0.001 0.000 0.289 296 L C -0.226 176.613 176.870 -0.052 0.000 1.033 296 L CA 0.328 55.157 54.840 -0.019 0.000 0.814 296 L CB 1.118 43.168 42.059 -0.014 0.000 1.203 296 L HN 0.508 nan 8.230 nan 0.000 0.423 297 M N 3.934 123.509 119.600 -0.042 0.000 2.134 297 M HA 0.487 4.967 4.480 0.001 0.000 0.310 297 M C -0.335 175.836 176.300 -0.215 0.000 0.966 297 M CA -0.500 54.724 55.300 -0.128 0.000 0.922 297 M CB 1.874 34.439 32.600 -0.059 0.000 1.537 297 M HN 0.383 nan 8.290 nan 0.000 0.424 298 R N 2.176 122.471 120.500 -0.342 0.000 2.357 298 R HA 0.355 4.696 4.340 0.001 0.000 0.296 298 R C -1.463 174.471 176.300 -0.610 0.000 1.052 298 R CA -0.134 55.782 56.100 -0.306 0.000 0.988 298 R CB 0.866 31.059 30.300 -0.178 0.000 1.025 298 R HN 0.589 nan 8.270 nan 0.000 0.469 299 Y N 1.493 121.767 120.300 -0.044 0.000 2.705 299 Y HA 0.188 4.738 4.550 0.001 0.000 0.355 299 Y C 1.153 177.030 175.900 -0.040 0.000 1.039 299 Y CA 0.120 58.193 58.100 -0.046 0.000 1.233 299 Y CB 1.302 39.727 38.460 -0.058 0.000 1.103 299 Y HN 1.058 nan 8.280 nan 0.000 0.624 300 G N 1.146 109.961 108.800 0.025 0.000 2.672 300 G HA2 -0.433 3.527 3.960 0.001 0.000 0.332 300 G HA3 -0.433 3.527 3.960 0.001 0.000 0.332 300 G C 1.543 176.451 174.900 0.013 0.000 1.213 300 G CA 1.280 46.389 45.100 0.014 0.000 0.980 300 G HN 0.548 nan 8.290 nan 0.000 0.548 301 S N 0.235 115.947 115.700 0.019 0.000 2.428 301 S HA 0.301 4.771 4.470 0.001 0.000 0.230 301 S C 1.307 175.917 174.600 0.017 0.000 1.014 301 S CA 1.394 59.600 58.200 0.011 0.000 0.957 301 S CB 0.018 63.221 63.200 0.005 0.000 0.784 301 S HN 0.798 nan 8.310 nan 0.000 0.499 302 S N 1.234 116.958 115.700 0.039 0.000 2.616 302 S HA 0.478 4.948 4.470 0.001 0.000 0.277 302 S C -0.337 174.315 174.600 0.086 0.000 1.234 302 S CA -0.704 57.525 58.200 0.047 0.000 1.028 302 S CB 1.483 64.705 63.200 0.038 0.000 0.988 302 S HN 0.436 nan 8.310 nan 0.000 0.522 303 E N 1.877 122.116 120.200 0.065 0.000 2.274 303 E HA 0.344 4.695 4.350 0.001 0.000 0.269 303 E C -1.552 175.085 176.600 0.062 0.000 0.891 303 E CA -0.407 56.038 56.400 0.075 0.000 0.784 303 E CB 0.870 30.580 29.700 0.017 0.000 1.225 303 E HN 0.504 nan 8.360 nan 0.000 0.412 304 L N 4.101 125.403 121.223 0.132 0.000 2.312 304 L HA 0.415 4.755 4.340 0.001 0.000 0.281 304 L C 0.151 177.041 176.870 0.034 0.000 1.070 304 L CA -0.535 54.336 54.840 0.050 0.000 0.805 304 L CB 1.061 43.169 42.059 0.081 0.000 1.174 304 L HN 0.334 nan 8.230 nan 0.000 0.434 305 K N 2.984 123.378 120.400 -0.010 0.000 2.281 305 K HA 0.571 4.891 4.320 0.001 0.000 0.272 305 K C 0.093 176.797 176.600 0.173 0.000 1.048 305 K CA -0.188 56.153 56.287 0.090 0.000 0.898 305 K CB 1.922 34.526 32.500 0.174 0.000 1.128 305 K HN 0.900 nan 8.250 nan 0.000 0.460 306 G N 1.747 110.646 108.800 0.164 0.000 2.927 306 G HA2 0.116 4.076 3.960 0.001 0.000 0.111 306 G HA3 0.116 4.076 3.960 0.001 0.000 0.111 306 G C -1.207 173.812 174.900 0.199 0.000 1.198 306 G CA -0.179 45.051 45.100 0.217 0.000 1.382 306 G HN 0.537 nan 8.290 nan 0.000 0.663 307 H N -1.010 118.106 119.070 0.077 0.000 2.987 307 H HA 0.500 5.056 4.556 0.001 0.000 0.316 307 H C -1.364 173.947 175.328 -0.027 0.000 1.380 307 H CA -0.148 55.916 56.048 0.026 0.000 1.160 307 H CB 1.957 31.747 29.762 0.047 0.000 1.865 307 H HN 0.701 nan 8.280 nan 0.000 0.521 308 L N -0.073 121.176 121.223 0.043 0.000 2.322 308 L HA 0.947 5.288 4.340 0.001 0.000 0.269 308 L C 0.063 176.939 176.870 0.009 0.000 1.012 308 L CA -0.560 54.248 54.840 -0.053 0.000 0.815 308 L CB 1.873 43.766 42.059 -0.277 0.000 1.295 308 L HN 0.619 nan 8.230 nan 0.000 0.438 309 G N 0.686 109.473 108.800 -0.022 0.000 2.701 309 G HA2 0.670 4.630 3.960 0.001 0.000 0.300 309 G HA3 0.670 4.630 3.960 0.001 0.000 0.300 309 G C -1.692 173.246 174.900 0.064 0.000 1.410 309 G CA -0.518 44.597 45.100 0.026 0.000 1.014 309 G HN 0.642 nan 8.290 nan 0.000 0.509 310 Q N 1.220 121.107 119.800 0.145 0.000 2.269 310 Q HA 0.548 4.889 4.340 0.001 0.000 0.263 310 Q C -1.428 174.816 176.000 0.407 0.000 0.983 310 Q CA -0.523 55.456 55.803 0.293 0.000 0.777 310 Q CB 3.079 32.014 28.738 0.329 0.000 1.273 310 Q HN 0.584 nan 8.270 nan 0.000 0.440 311 I N 1.885 122.617 120.570 0.270 0.000 2.752 311 I HA 0.421 4.591 4.170 0.001 0.000 0.295 311 I C -2.610 173.408 176.117 -0.166 0.000 1.219 311 I CA -2.565 58.728 61.300 -0.012 0.000 1.030 311 I CB 2.733 40.765 38.000 0.053 0.000 1.259 311 I HN 0.336 nan 8.210 nan 0.000 0.423 312 P HA 0.045 nan 4.420 nan 0.000 0.249 312 P C 0.533 177.682 177.300 -0.251 0.000 1.140 312 P CA 1.606 64.459 63.100 -0.412 0.000 0.803 312 P CB -0.049 31.400 31.700 -0.419 0.000 0.745 313 G N 2.191 110.962 108.800 -0.048 0.000 2.199 313 G HA2 -0.238 3.722 3.960 0.001 0.000 0.254 313 G HA3 -0.238 3.722 3.960 0.001 0.000 0.254 313 G C -0.014 175.009 174.900 0.205 0.000 0.982 313 G CA -0.289 44.815 45.100 0.006 0.000 0.632 313 G HN 0.673 nan 8.290 nan 0.000 0.529 314 H N 0.738 119.865 119.070 0.096 0.000 2.587 314 H HA 0.532 5.089 4.556 0.001 0.000 0.325 314 H C -0.748 174.650 175.328 0.116 0.000 1.012 314 H CA -0.306 55.835 56.048 0.154 0.000 1.213 314 H CB 1.481 31.366 29.762 0.204 0.000 1.431 314 H HN 0.131 nan 8.280 nan 0.000 0.492 315 T N 2.765 117.431 114.554 0.187 0.000 2.809 315 T HA 0.309 4.659 4.350 0.001 0.000 0.284 315 T C -0.343 174.352 174.700 -0.008 0.000 0.992 315 T CA -0.885 61.277 62.100 0.103 0.000 0.957 315 T CB 1.109 70.042 68.868 0.108 0.000 0.942 315 T HN 0.634 nan 8.240 nan 0.000 0.439 316 S N 3.120 118.808 115.700 -0.020 0.000 2.570 316 S HA 0.855 5.325 4.470 0.001 0.000 0.286 316 S C -1.081 173.489 174.600 -0.050 0.000 1.099 316 S CA -0.958 57.196 58.200 -0.076 0.000 0.913 316 S CB 1.405 64.558 63.200 -0.078 0.000 1.085 316 S HN 0.509 nan 8.310 nan 0.000 0.480 317 I N 2.854 123.384 120.570 -0.066 0.000 2.512 317 I HA 0.402 4.573 4.170 0.001 0.000 0.287 317 I C -0.496 175.603 176.117 -0.030 0.000 1.069 317 I CA -0.654 60.624 61.300 -0.038 0.000 1.056 317 I CB 1.720 39.686 38.000 -0.057 0.000 1.229 317 I HN 1.025 nan 8.210 nan 0.000 0.429 318 M N 4.804 124.422 119.600 0.030 0.000 2.591 318 M HA 1.000 5.480 4.480 0.001 0.000 0.306 318 M C -0.484 175.853 176.300 0.063 0.000 1.190 318 M CA -0.285 55.047 55.300 0.053 0.000 0.889 318 M CB 3.135 35.810 32.600 0.125 0.000 1.728 318 M HN 0.573 nan 8.290 nan 0.000 0.458 319 G N 1.350 110.166 108.800 0.027 0.000 2.368 319 G HA2 0.436 4.396 3.960 0.001 0.000 0.293 319 G HA3 0.436 4.396 3.960 0.001 0.000 0.293 319 G C -2.428 172.386 174.900 -0.145 0.000 1.467 319 G CA -1.215 43.882 45.100 -0.005 0.000 0.804 319 G HN 1.042 nan 8.290 nan 0.000 0.535 320 R N 0.145 120.413 120.500 -0.385 0.000 2.407 320 R HA 0.534 4.874 4.340 0.001 0.000 0.303 320 R C -1.153 174.907 176.300 -0.401 0.000 0.981 320 R CA -0.601 55.158 56.100 -0.569 0.000 0.905 320 R CB 1.511 31.047 30.300 -1.275 0.000 1.099 320 R HN 0.352 nan 8.270 nan 0.000 0.459 321 D N 3.666 123.910 120.400 -0.260 0.000 2.468 321 D HA 0.038 4.678 4.640 0.001 0.000 0.218 321 D C 0.128 176.326 176.300 -0.170 0.000 1.155 321 D CA 0.023 53.922 54.000 -0.168 0.000 0.924 321 D CB 0.773 41.505 40.800 -0.113 0.000 1.029 321 D HN 0.682 nan 8.370 nan 0.000 0.515 322 E N 1.791 121.881 120.200 -0.183 0.000 2.273 322 E HA -0.216 4.134 4.350 0.001 0.000 0.198 322 E C 1.052 177.613 176.600 -0.065 0.000 1.002 322 E CA 0.976 57.298 56.400 -0.130 0.000 0.828 322 E CB 0.454 30.113 29.700 -0.068 0.000 0.747 322 E HN 0.648 nan 8.360 nan 0.000 0.491 323 E N -0.015 120.153 120.200 -0.054 0.000 2.004 323 E HA -0.122 4.228 4.350 0.001 0.000 0.192 323 E C 2.304 178.881 176.600 -0.038 0.000 0.987 323 E CA 1.617 57.997 56.400 -0.033 0.000 0.822 323 E CB -0.153 29.532 29.700 -0.024 0.000 0.779 323 E HN 0.257 nan 8.360 nan 0.000 0.458 324 T N -1.899 112.628 114.554 -0.046 0.000 3.098 324 T HA 0.015 4.365 4.350 0.001 0.000 0.266 324 T C 1.535 176.203 174.700 -0.052 0.000 1.145 324 T CA 0.972 63.045 62.100 -0.045 0.000 1.092 324 T CB -0.157 68.683 68.868 -0.046 0.000 0.908 324 T HN 0.454 nan 8.240 nan 0.000 0.526 325 G N 0.966 109.723 108.800 -0.071 0.000 2.184 325 G HA2 -0.121 3.839 3.960 0.001 0.000 0.264 325 G HA3 -0.121 3.839 3.960 0.001 0.000 0.264 325 G C 0.292 175.136 174.900 -0.093 0.000 0.975 325 G CA 0.071 45.124 45.100 -0.077 0.000 0.642 325 G HN 1.337 nan 8.290 nan 0.000 0.536 326 A N -0.043 122.718 122.820 -0.097 0.000 2.401 326 A HA 0.847 5.168 4.320 0.001 0.000 0.259 326 A C 0.596 178.103 177.584 -0.129 0.000 1.103 326 A CA 0.968 52.950 52.037 -0.092 0.000 0.789 326 A CB 0.812 19.764 19.000 -0.080 0.000 1.035 326 A HN 2.053 nan 8.150 nan 0.000 0.491 327 A N 2.198 124.959 122.820 -0.098 0.000 2.342 327 A HA 0.737 5.058 4.320 0.001 0.000 0.323 327 A C -0.614 176.939 177.584 -0.051 0.000 1.125 327 A CA -0.489 51.490 52.037 -0.096 0.000 0.785 327 A CB 0.665 19.629 19.000 -0.060 0.000 1.221 327 A HN 1.977 nan 8.150 nan 0.000 0.463 328 L N 0.125 121.317 121.223 -0.051 0.000 2.424 328 L HA 1.018 5.358 4.340 0.001 0.000 0.258 328 L C -0.934 175.926 176.870 -0.018 0.000 0.995 328 L CA -0.851 53.965 54.840 -0.041 0.000 0.821 328 L CB 2.134 44.138 42.059 -0.091 0.000 1.383 328 L HN 0.652 nan 8.230 nan 0.000 0.410 329 M N 3.484 123.075 119.600 -0.014 0.000 2.224 329 M HA 0.664 5.145 4.480 0.001 0.000 0.281 329 M C -2.363 173.893 176.300 -0.072 0.000 1.025 329 M CA -0.574 54.712 55.300 -0.022 0.000 0.954 329 M CB 1.809 34.423 32.600 0.023 0.000 1.639 329 M HN 0.816 nan 8.290 nan 0.000 0.461 330 L N 6.543 127.697 121.223 -0.116 0.000 2.349 330 L HA 0.791 5.131 4.340 0.001 0.000 0.278 330 L C -1.848 174.886 176.870 -0.226 0.000 0.996 330 L CA -0.441 54.305 54.840 -0.158 0.000 0.825 330 L CB 1.021 42.984 42.059 -0.160 0.000 1.243 330 L HN 0.852 nan 8.230 nan 0.000 0.412 331 I N 4.930 125.280 120.570 -0.366 0.000 2.466 331 I HA 0.350 4.520 4.170 0.001 0.000 0.289 331 I C -0.672 175.143 176.117 -0.503 0.000 1.026 331 I CA -0.591 60.360 61.300 -0.580 0.000 1.078 331 I CB 2.032 39.323 38.000 -1.182 0.000 1.249 331 I HN 0.606 nan 8.210 nan 0.000 0.429 332 Q N 4.688 124.353 119.800 -0.225 0.000 2.266 332 Q HA 0.381 4.722 4.340 0.001 0.000 0.261 332 Q C -0.510 175.583 176.000 0.156 0.000 0.985 332 Q CA -0.862 54.943 55.803 0.004 0.000 0.873 332 Q CB 1.817 30.617 28.738 0.103 0.000 1.306 332 Q HN 0.676 nan 8.270 nan 0.000 0.447 333 N N 0.869 119.772 118.700 0.337 0.000 2.389 333 N HA 0.069 4.809 4.740 0.001 0.000 0.237 333 N C -1.087 174.695 175.510 0.453 0.000 1.148 333 N CA -0.336 53.005 53.050 0.486 0.000 0.854 333 N CB 0.641 39.425 38.487 0.495 0.000 1.115 333 N HN 0.327 nan 8.380 nan 0.000 0.492 334 S N -0.922 115.003 115.700 0.375 0.000 2.482 334 S HA 0.853 5.323 4.470 0.001 0.000 0.303 334 S C 0.060 174.856 174.600 0.328 0.000 1.091 334 S CA -0.603 57.849 58.200 0.419 0.000 1.057 334 S CB 1.780 65.214 63.200 0.391 0.000 1.031 334 S HN 0.580 nan 8.310 nan 0.000 0.485 335 G N 0.767 109.780 108.800 0.356 0.000 2.788 335 G HA2 0.876 4.836 3.960 0.001 0.000 0.293 335 G HA3 0.876 4.836 3.960 0.001 0.000 0.293 335 G C -1.388 173.711 174.900 0.333 0.000 1.392 335 G CA -0.229 45.058 45.100 0.312 0.000 0.810 335 G HN 0.970 nan 8.290 nan 0.000 0.508 336 A N -2.095 120.910 122.820 0.307 0.000 2.534 336 A HA 0.823 5.143 4.320 0.001 0.000 0.300 336 A C 0.938 178.653 177.584 0.217 0.000 1.223 336 A CA 0.548 52.752 52.037 0.278 0.000 0.666 336 A CB 0.698 19.868 19.000 0.283 0.000 1.316 336 A HN 1.808 nan 8.150 nan 0.000 0.468 337 G N -0.969 107.903 108.800 0.120 0.000 2.492 337 G HA2 0.223 4.183 3.960 0.001 0.000 0.214 337 G HA3 0.223 4.183 3.960 0.001 0.000 0.214 337 G C 0.128 174.780 174.900 -0.412 0.000 1.147 337 G CA 1.081 46.139 45.100 -0.070 0.000 0.809 337 G HN 0.672 nan 8.290 nan 0.000 0.533 338 D N -0.598 119.664 120.400 -0.231 0.000 2.225 338 D HA 0.250 4.890 4.640 0.001 0.000 0.248 338 D C 0.793 176.953 176.300 -0.234 0.000 1.096 338 D CA -0.992 52.846 54.000 -0.270 0.000 0.863 338 D CB 0.932 41.690 40.800 -0.070 0.000 1.156 338 D HN -0.012 nan 8.370 nan 0.000 0.450 339 F N 1.444 121.307 119.950 -0.145 0.000 2.250 339 F HA -0.079 4.448 4.527 0.000 0.000 0.301 339 F C 2.161 177.924 175.800 -0.062 0.000 1.077 339 F CA 0.854 58.773 58.000 -0.135 0.000 1.348 339 F CB -0.027 38.846 39.000 -0.212 0.000 1.040 339 F HN 0.462 nan 8.300 nan 0.000 0.509 340 E N -0.461 119.816 120.200 0.129 0.000 2.474 340 E HA 0.045 4.395 4.350 0.001 0.000 0.195 340 E C 0.770 177.426 176.600 0.093 0.000 1.039 340 E CA 0.053 56.513 56.400 0.099 0.000 0.881 340 E CB 0.112 29.863 29.700 0.085 0.000 0.970 340 E HN 0.139 nan 8.360 nan 0.000 0.486 341 S N 0.367 116.124 115.700 0.095 0.000 2.562 341 S HA -0.004 4.467 4.470 0.001 0.000 0.281 341 S C 0.952 175.624 174.600 0.120 0.000 1.333 341 S CA -0.516 57.770 58.200 0.142 0.000 1.052 341 S CB 0.332 63.646 63.200 0.190 0.000 0.884 341 S HN 0.228 nan 8.310 nan 0.000 0.506 342 F N 5.440 125.360 119.950 -0.049 0.000 2.154 342 F HA -0.135 4.392 4.527 0.001 0.000 0.301 342 F C 1.095 176.775 175.800 -0.201 0.000 1.087 342 F CA 1.626 59.519 58.000 -0.178 0.000 1.274 342 F CB -0.526 38.258 39.000 -0.361 0.000 1.009 342 F HN 0.798 nan 8.300 nan 0.000 0.485 343 Y N -0.111 120.100 120.300 -0.148 0.000 2.574 343 Y HA -0.057 4.494 4.550 0.001 0.000 0.294 343 Y C 1.963 177.774 175.900 -0.150 0.000 1.142 343 Y CA 0.874 58.824 58.100 -0.250 0.000 1.314 343 Y CB -0.339 38.081 38.460 -0.068 0.000 0.991 343 Y HN 0.184 nan 8.280 nan 0.000 0.555 344 L N -0.749 120.482 121.223 0.014 0.000 2.546 344 L HA 0.019 4.359 4.340 0.001 0.000 0.182 344 L C 2.320 179.172 176.870 -0.028 0.000 1.167 344 L CA 0.429 55.288 54.840 0.033 0.000 0.845 344 L CB -0.332 41.775 42.059 0.080 0.000 1.134 344 L HN -0.077 nan 8.230 nan 0.000 0.500 345 K N 0.676 121.067 120.400 -0.015 0.000 2.209 345 K HA -0.096 4.224 4.320 0.001 0.000 0.204 345 K C 1.678 178.247 176.600 -0.052 0.000 1.048 345 K CA 1.478 57.762 56.287 -0.006 0.000 0.940 345 K CB -0.252 32.271 32.500 0.038 0.000 0.729 345 K HN 0.294 nan 8.250 nan 0.000 0.451 346 G N 0.600 109.288 108.800 -0.188 0.000 2.598 346 G HA2 -0.152 3.809 3.960 0.001 0.000 0.215 346 G HA3 -0.152 3.809 3.960 0.001 0.000 0.215 346 G C 1.339 176.142 174.900 -0.162 0.000 1.131 346 G CA 0.385 45.349 45.100 -0.227 0.000 0.785 346 G HN 0.222 nan 8.290 nan 0.000 0.539 347 V N 1.107 120.928 119.914 -0.155 0.000 2.469 347 V HA -0.238 3.882 4.120 0.001 0.000 0.251 347 V C 2.370 178.382 176.094 -0.137 0.000 1.064 347 V CA 2.563 64.791 62.300 -0.120 0.000 1.066 347 V CB -0.484 31.299 31.823 -0.067 0.000 0.667 347 V HN 0.482 nan 8.190 nan 0.000 0.461 348 N N -0.351 118.324 118.700 -0.042 0.000 2.309 348 N HA -0.129 4.612 4.740 0.001 0.000 0.182 348 N C 1.680 177.220 175.510 0.049 0.000 1.018 348 N CA 1.323 54.423 53.050 0.083 0.000 0.876 348 N CB -0.089 38.484 38.487 0.143 0.000 0.972 348 N HN 0.621 nan 8.380 nan 0.000 0.434 349 E N 0.532 120.716 120.200 -0.027 0.000 2.017 349 E HA -0.142 4.209 4.350 0.001 0.000 0.193 349 E C -0.797 175.729 176.600 -0.123 0.000 0.997 349 E CA 1.231 57.617 56.400 -0.023 0.000 0.804 349 E CB -0.776 28.957 29.700 0.056 0.000 0.757 349 E HN 0.409 nan 8.360 nan 0.000 0.448 350 P HA -0.092 nan 4.420 nan 0.000 0.220 350 P C 1.470 178.614 177.300 -0.260 0.000 1.148 350 P CA 0.984 63.900 63.100 -0.306 0.000 0.803 350 P CB 0.078 31.474 31.700 -0.506 0.000 0.782 351 V N 0.976 120.721 119.914 -0.282 0.000 2.358 351 V HA -0.206 3.915 4.120 0.001 0.000 0.246 351 V C 2.481 178.335 176.094 -0.401 0.000 1.047 351 V CA 2.300 64.363 62.300 -0.395 0.000 1.035 351 V CB -1.375 30.104 31.823 -0.574 0.000 0.658 351 V HN 0.107 nan 8.190 nan 0.000 0.452 352 D N 0.185 120.464 120.400 -0.202 0.000 2.092 352 D HA -0.179 4.462 4.640 0.001 0.000 0.193 352 D C 2.403 178.664 176.300 -0.066 0.000 0.994 352 D CA 1.553 55.547 54.000 -0.011 0.000 0.828 352 D CB -0.119 40.764 40.800 0.139 0.000 0.963 352 D HN 0.277 nan 8.370 nan 0.000 0.450 353 R N -0.282 120.171 120.500 -0.079 0.000 2.083 353 R HA -0.102 4.238 4.340 0.001 0.000 0.237 353 R C 2.504 178.736 176.300 -0.113 0.000 1.137 353 R CA 1.093 57.144 56.100 -0.081 0.000 0.951 353 R CB -0.520 29.733 30.300 -0.078 0.000 0.851 353 R HN 0.106 nan 8.270 nan 0.000 0.434 354 V N 1.157 120.975 119.914 -0.161 0.000 2.287 354 V HA -0.251 3.869 4.120 0.001 0.000 0.248 354 V C 2.183 178.186 176.094 -0.151 0.000 1.053 354 V CA 1.801 63.993 62.300 -0.180 0.000 1.027 354 V CB -0.387 31.303 31.823 -0.222 0.000 0.646 354 V HN 0.292 nan 8.190 nan 0.000 0.447 355 L N -0.625 120.502 121.223 -0.159 0.000 2.141 355 L HA -0.149 4.191 4.340 0.001 0.000 0.209 355 L C 2.509 179.335 176.870 -0.074 0.000 1.094 355 L CA 1.395 56.162 54.840 -0.122 0.000 0.763 355 L CB -0.582 41.396 42.059 -0.135 0.000 0.908 355 L HN 0.378 nan 8.230 nan 0.000 0.437 356 E N 0.291 120.454 120.200 -0.061 0.000 2.051 356 E HA -0.227 4.124 4.350 0.001 0.000 0.192 356 E C 2.357 178.929 176.600 -0.046 0.000 0.991 356 E CA 1.179 57.555 56.400 -0.040 0.000 0.799 356 E CB -0.183 29.499 29.700 -0.031 0.000 0.748 356 E HN 0.501 nan 8.360 nan 0.000 0.449 357 A N 1.171 123.954 122.820 -0.062 0.000 1.940 357 A HA -0.195 4.125 4.320 0.001 0.000 0.219 357 A C 2.167 179.719 177.584 -0.053 0.000 1.176 357 A CA 1.190 53.191 52.037 -0.061 0.000 0.631 357 A CB -0.634 18.316 19.000 -0.084 0.000 0.814 357 A HN 0.149 nan 8.150 nan 0.000 0.446 358 I N -0.586 119.947 120.570 -0.061 0.000 2.179 358 I HA -0.276 3.894 4.170 0.001 0.000 0.242 358 I C 2.525 178.620 176.117 -0.036 0.000 1.088 358 I CA 1.876 63.146 61.300 -0.049 0.000 1.357 358 I CB -0.257 37.708 38.000 -0.058 0.000 1.051 358 I HN 0.351 nan 8.210 nan 0.000 0.409 359 K N 1.321 121.700 120.400 -0.035 0.000 2.103 359 K HA -0.205 4.115 4.320 0.001 0.000 0.207 359 K C 1.538 178.126 176.600 -0.021 0.000 1.048 359 K CA 2.005 58.276 56.287 -0.025 0.000 0.930 359 K CB -0.192 32.294 32.500 -0.022 0.000 0.716 359 K HN 0.463 nan 8.250 nan 0.000 0.444 360 N N -0.211 118.475 118.700 -0.023 0.000 2.494 360 N HA -0.090 4.650 4.740 0.001 0.000 0.182 360 N C 1.602 177.102 175.510 -0.016 0.000 1.076 360 N CA 0.649 53.688 53.050 -0.018 0.000 0.908 360 N CB 0.232 38.707 38.487 -0.020 0.000 0.967 360 N HN 0.236 nan 8.380 nan 0.000 0.449 361 S N 1.203 116.892 115.700 -0.018 0.000 2.362 361 S HA 0.004 4.475 4.470 0.001 0.000 0.221 361 S C 1.026 175.620 174.600 -0.010 0.000 1.032 361 S CA 0.142 58.334 58.200 -0.013 0.000 0.973 361 S CB -0.072 63.120 63.200 -0.013 0.000 0.849 361 S HN 0.062 nan 8.310 nan 0.000 0.465 362 R N 2.314 122.807 120.500 -0.012 0.000 2.459 362 R HA 0.446 4.786 4.340 0.001 0.000 0.301 362 R C -0.462 175.833 176.300 -0.009 0.000 1.286 362 R CA 0.013 56.107 56.100 -0.010 0.000 1.046 362 R CB 0.247 30.540 30.300 -0.012 0.000 1.071 362 R HN 0.317 nan 8.270 nan 0.000 0.512 363 S N 0.000 115.696 115.700 -0.007 0.000 2.498 363 S HA 0.000 4.470 4.470 0.001 0.000 0.327 363 S CA 0.000 58.197 58.200 -0.006 0.000 1.107 363 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 363 S HN 0.000 nan 8.310 nan 0.000 0.517